smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C#N ZINC001164709509 719903932 /nfs/dbraw/zinc/90/39/32/719903932.db2.gz XFNQAUPHKYCATJ-UHFFFAOYSA-N 1 2 395.467 0.646 20 30 GCEDLO COc1cc(C#N)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164708365 719912040 /nfs/dbraw/zinc/91/20/40/719912040.db2.gz ARHYATSJDAWWAH-UHFFFAOYSA-N 1 2 395.467 0.646 20 30 GCEDLO Cc1nc(C#N)cnc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708302 719919575 /nfs/dbraw/zinc/91/95/75/719919575.db2.gz IDTGHBFPXUFOMR-UHFFFAOYSA-N 1 2 380.456 0.341 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cnc3C#N)C2)C1 ZINC001164719251 720228222 /nfs/dbraw/zinc/22/82/22/720228222.db2.gz PPTFDSLRSBGHAT-QGZVFWFLSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cnc3C#N)C2)C1 ZINC001164719251 720228228 /nfs/dbraw/zinc/22/82/28/720228228.db2.gz PPTFDSLRSBGHAT-QGZVFWFLSA-N 1 2 378.864 0.666 20 30 GCEDLO Cc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cnc1C#N ZINC001164833054 720467019 /nfs/dbraw/zinc/46/70/19/720467019.db2.gz XMHBTAZXVCRGSJ-MRXNPFEDSA-N 1 2 397.483 0.843 20 30 GCEDLO COc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1C#N ZINC001164910423 721774183 /nfs/dbraw/zinc/77/41/83/721774183.db2.gz BQZYKYHHGHJUOG-HXUWFJFHSA-N 1 2 396.451 0.860 20 30 GCEDLO COc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1C#N ZINC001164910423 721774185 /nfs/dbraw/zinc/77/41/85/721774185.db2.gz BQZYKYHHGHJUOG-HXUWFJFHSA-N 1 2 396.451 0.860 20 30 GCEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CCO2)c[nH]1 ZINC001571309874 946455377 /nfs/dbraw/zinc/45/53/77/946455377.db2.gz NRIDTAMMWJHEDO-QGZVFWFLSA-N 1 2 392.423 0.697 20 30 GCEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CCO2)c[nH]1 ZINC001571309874 946455388 /nfs/dbraw/zinc/45/53/88/946455388.db2.gz NRIDTAMMWJHEDO-QGZVFWFLSA-N 1 2 392.423 0.697 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCNc1ccc(-c2nn[nH]n2)nn1 ZINC001573285130 946767087 /nfs/dbraw/zinc/76/70/87/946767087.db2.gz DMIIGFAEQZHOJD-HIFRSBDPSA-N 1 2 383.460 0.451 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCNc1ccc(-c2nn[nH]n2)nn1 ZINC001573285130 946767096 /nfs/dbraw/zinc/76/70/96/946767096.db2.gz DMIIGFAEQZHOJD-HIFRSBDPSA-N 1 2 383.460 0.451 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN(CC)c1nccnc1-c1nn[nH]n1 ZINC001573285410 946778803 /nfs/dbraw/zinc/77/88/03/946778803.db2.gz HOFKEKXRYHIRNL-AWEZNQCLSA-N 1 2 383.460 0.087 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN(CC)c1nccnc1-c1nn[nH]n1 ZINC001573285410 946778811 /nfs/dbraw/zinc/77/88/11/946778811.db2.gz HOFKEKXRYHIRNL-AWEZNQCLSA-N 1 2 383.460 0.087 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1cnc(-c2nn[nH]n2)cn1)C(C)C ZINC001573286354 946801515 /nfs/dbraw/zinc/80/15/15/946801515.db2.gz ZLUSPSJPFIAUSN-ZFWWWQNUSA-N 1 2 383.460 0.307 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1cnc(-c2nn[nH]n2)cn1)C(C)C ZINC001573286354 946801525 /nfs/dbraw/zinc/80/15/25/946801525.db2.gz ZLUSPSJPFIAUSN-ZFWWWQNUSA-N 1 2 383.460 0.307 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccc(-c3nn[nH]n3)s1)CCO2 ZINC001573567272 947040894 /nfs/dbraw/zinc/04/08/94/947040894.db2.gz KZGQPCZRZLVRTO-PXAZEXFGSA-N 1 2 387.469 0.891 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccc(-c3nn[nH]n3)s1)CCO2 ZINC001573567272 947040904 /nfs/dbraw/zinc/04/09/04/947040904.db2.gz KZGQPCZRZLVRTO-PXAZEXFGSA-N 1 2 387.469 0.891 20 30 GCEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001573298679 947080347 /nfs/dbraw/zinc/08/03/47/947080347.db2.gz REVLECYCTGYZDQ-UHFFFAOYSA-N 1 2 389.807 0.463 20 30 GCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)O1 ZINC001573577138 947162191 /nfs/dbraw/zinc/16/21/91/947162191.db2.gz MQEZXLWILPOWJB-BBRMVZONSA-N 1 2 381.440 0.876 20 30 GCEDLO C=CC(C)(C)CC(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001573308203 947186404 /nfs/dbraw/zinc/18/64/04/947186404.db2.gz YZUGOXLUSOTBKK-UHFFFAOYSA-N 1 2 385.476 0.497 20 30 GCEDLO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)nn1 ZINC001573585087 947244046 /nfs/dbraw/zinc/24/40/46/947244046.db2.gz KFUUTTABQHGUEF-LBPRGKRZSA-N 1 2 392.427 0.291 20 30 GCEDLO CC#CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)c1nccn12 ZINC001573358327 947661801 /nfs/dbraw/zinc/66/18/01/947661801.db2.gz IHVBOXNMAUWXLZ-CQSZACIVSA-N 1 2 377.412 0.300 20 30 GCEDLO CC(C)[NH+]1CCN(C2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)CC1 ZINC001571218437 953114891 /nfs/dbraw/zinc/11/48/91/953114891.db2.gz NRRQGSZFMUXWJX-UHFFFAOYSA-N 1 2 382.476 0.523 20 30 GCEDLO CC(C)N1CC[NH+](C2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)CC1 ZINC001571218437 953114894 /nfs/dbraw/zinc/11/48/94/953114894.db2.gz NRRQGSZFMUXWJX-UHFFFAOYSA-N 1 2 382.476 0.523 20 30 GCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)c1 ZINC001571242167 953253733 /nfs/dbraw/zinc/25/37/33/953253733.db2.gz WEOJSNYLUCOEHY-CHWSQXEVSA-N 1 2 384.425 0.103 20 30 GCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)c1 ZINC001571242167 953253735 /nfs/dbraw/zinc/25/37/35/953253735.db2.gz WEOJSNYLUCOEHY-CHWSQXEVSA-N 1 2 384.425 0.103 20 30 GCEDLO CS(=O)(=O)NCC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000285525859 530114504 /nfs/dbraw/zinc/11/45/04/530114504.db2.gz SAGQSCYBJKZHKQ-CQSZACIVSA-N 1 2 382.511 0.986 20 30 GCEDLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409549228 530229992 /nfs/dbraw/zinc/22/99/92/530229992.db2.gz AULPLZDGWHPLEZ-HUUCEWRRSA-N 1 2 394.563 0.154 20 30 GCEDLO CCN(CCC#N)S(=O)(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000409553163 530230149 /nfs/dbraw/zinc/23/01/49/530230149.db2.gz NFXMNXZXKZAQQP-OAHLLOKOSA-N 1 2 394.563 0.298 20 30 GCEDLO N#Cc1c(Br)cccc1OCC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000450208720 530247287 /nfs/dbraw/zinc/24/72/87/530247287.db2.gz PFWVGZQOPOPGGA-UHFFFAOYSA-N 1 2 395.257 0.638 20 30 GCEDLO N#Cc1c(Br)cccc1OCC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000450208720 530247290 /nfs/dbraw/zinc/24/72/90/530247290.db2.gz PFWVGZQOPOPGGA-UHFFFAOYSA-N 1 2 395.257 0.638 20 30 GCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1Cl ZINC000263752553 530255755 /nfs/dbraw/zinc/25/57/55/530255755.db2.gz ITGMTNAALYLEPY-NSHDSACASA-N 1 2 385.877 0.655 20 30 GCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1Cl ZINC000263752553 530255757 /nfs/dbraw/zinc/25/57/57/530255757.db2.gz ITGMTNAALYLEPY-NSHDSACASA-N 1 2 385.877 0.655 20 30 GCEDLO CNS(=O)(=O)NC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000298683569 530309221 /nfs/dbraw/zinc/30/92/21/530309221.db2.gz ZBSJMTBXLSMNQY-ZDUSSCGKSA-N 1 2 383.499 0.243 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N)C[C@H](C)[N@H+]1C ZINC000594638726 530432850 /nfs/dbraw/zinc/43/28/50/530432850.db2.gz OAQYVMBORVNMRB-OKILXGFUSA-N 1 2 394.563 0.342 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N)C[C@H](C)[N@@H+]1C ZINC000594638726 530432851 /nfs/dbraw/zinc/43/28/51/530432851.db2.gz OAQYVMBORVNMRB-OKILXGFUSA-N 1 2 394.563 0.342 20 30 GCEDLO C=CCNC(=O)C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000609495140 530509313 /nfs/dbraw/zinc/50/93/13/530509313.db2.gz BNAZPPZDKCDVSO-UHFFFAOYSA-N 1 2 387.225 0.505 20 30 GCEDLO C[C@H](CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000330463766 530520031 /nfs/dbraw/zinc/52/00/31/530520031.db2.gz NZJOXQDSWIYIED-HUUCEWRRSA-N 1 2 376.523 0.415 20 30 GCEDLO CCNC(=O)NC(=O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000330718553 530524243 /nfs/dbraw/zinc/52/42/43/530524243.db2.gz VVXIWRGGBLTKBV-UHFFFAOYSA-N 1 2 388.412 0.325 20 30 GCEDLO C#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000192224232 530560744 /nfs/dbraw/zinc/56/07/44/530560744.db2.gz RMELBVHEPJLUKQ-UHFFFAOYSA-N 1 2 375.903 0.799 20 30 GCEDLO C#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000192224232 530560747 /nfs/dbraw/zinc/56/07/47/530560747.db2.gz RMELBVHEPJLUKQ-UHFFFAOYSA-N 1 2 375.903 0.799 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncc(Br)cc2C#N)CC1 ZINC000297202587 530569215 /nfs/dbraw/zinc/56/92/15/530569215.db2.gz RMKUWJGQXDCETM-UHFFFAOYSA-N 1 2 376.258 0.977 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc(Br)cc2C#N)CC1 ZINC000297202587 530569218 /nfs/dbraw/zinc/56/92/18/530569218.db2.gz RMKUWJGQXDCETM-UHFFFAOYSA-N 1 2 376.258 0.977 20 30 GCEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1=O ZINC000267629849 530589635 /nfs/dbraw/zinc/58/96/35/530589635.db2.gz SBYUPCFIGXVJJT-AAEUAGOBSA-N 1 2 383.499 0.230 20 30 GCEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1=O ZINC000267629849 530589637 /nfs/dbraw/zinc/58/96/37/530589637.db2.gz SBYUPCFIGXVJJT-AAEUAGOBSA-N 1 2 383.499 0.230 20 30 GCEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)CC1 ZINC000574466058 530590988 /nfs/dbraw/zinc/59/09/88/530590988.db2.gz RJNSRAQUGAHEMZ-ZDUSSCGKSA-N 1 2 386.499 0.203 20 30 GCEDLO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000329915217 530622801 /nfs/dbraw/zinc/62/28/01/530622801.db2.gz CZIPTBWCTWDTCY-LBPRGKRZSA-N 1 2 391.515 0.642 20 30 GCEDLO O=C(C[N@H+]1CCSC2(CCOCC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000329915217 530622803 /nfs/dbraw/zinc/62/28/03/530622803.db2.gz CZIPTBWCTWDTCY-LBPRGKRZSA-N 1 2 391.515 0.642 20 30 GCEDLO CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000349474395 530645769 /nfs/dbraw/zinc/64/57/69/530645769.db2.gz UTWZRPRWPIDRDW-ZDUSSCGKSA-N 1 2 386.499 0.203 20 30 GCEDLO CC[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N[C@@H](C)C#N)CC1 ZINC000349475952 530646957 /nfs/dbraw/zinc/64/69/57/530646957.db2.gz YXEZMVKJMKJHNM-ZDUSSCGKSA-N 1 2 386.499 0.203 20 30 GCEDLO N#CC1CCC(CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000581953993 530769558 /nfs/dbraw/zinc/76/95/58/530769558.db2.gz GDNTUTVRIWNEIG-UHFFFAOYSA-N 1 2 389.503 0.791 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000174194138 530848848 /nfs/dbraw/zinc/84/88/48/530848848.db2.gz NHEUIUHQDJQFTE-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)nc2)CC1 ZINC000174194138 530848852 /nfs/dbraw/zinc/84/88/52/530848852.db2.gz NHEUIUHQDJQFTE-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000175868960 530850070 /nfs/dbraw/zinc/85/00/70/530850070.db2.gz DAIDPXDIHBWXEB-LLVKDONJSA-N 1 2 382.262 0.508 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CCCC2)CC1 ZINC000349535925 530899922 /nfs/dbraw/zinc/89/99/22/530899922.db2.gz KJQMVJCCHVMXHI-UHFFFAOYSA-N 1 2 392.547 0.052 20 30 GCEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000571749509 530981149 /nfs/dbraw/zinc/98/11/49/530981149.db2.gz APGXCWBFYOYFLH-UHFFFAOYSA-N 1 2 387.527 0.997 20 30 GCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054104248 530997931 /nfs/dbraw/zinc/99/79/31/530997931.db2.gz NQNINEBOWILAOD-UHFFFAOYSA-N 1 2 386.499 0.503 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000266142036 531003933 /nfs/dbraw/zinc/00/39/33/531003933.db2.gz OTRRJFWRPKDIPW-UHFFFAOYSA-N 1 2 395.257 0.447 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000266142036 531003936 /nfs/dbraw/zinc/00/39/36/531003936.db2.gz OTRRJFWRPKDIPW-UHFFFAOYSA-N 1 2 395.257 0.447 20 30 GCEDLO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCSC[C@@H]2CO)CC1 ZINC000544135657 531078683 /nfs/dbraw/zinc/07/86/83/531078683.db2.gz KXNLTZBVCMVEDB-LSDHHAIUSA-N 1 2 380.539 0.867 20 30 GCEDLO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2CO)CC1 ZINC000544135657 531078685 /nfs/dbraw/zinc/07/86/85/531078685.db2.gz KXNLTZBVCMVEDB-LSDHHAIUSA-N 1 2 380.539 0.867 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000735381061 598895172 /nfs/dbraw/zinc/89/51/72/598895172.db2.gz KUJRBDKLKDKUFL-UHFFFAOYSA-N 1 2 384.400 0.036 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000735381061 598895173 /nfs/dbraw/zinc/89/51/73/598895173.db2.gz KUJRBDKLKDKUFL-UHFFFAOYSA-N 1 2 384.400 0.036 20 30 GCEDLO C=CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735419008 598538830 /nfs/dbraw/zinc/53/88/30/598538830.db2.gz OGYCIHUQZQCUSB-OAHLLOKOSA-N 1 2 390.469 0.870 20 30 GCEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735419008 598538831 /nfs/dbraw/zinc/53/88/31/598538831.db2.gz OGYCIHUQZQCUSB-OAHLLOKOSA-N 1 2 390.469 0.870 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000735381826 598808401 /nfs/dbraw/zinc/80/84/01/598808401.db2.gz QZPOUADLRGSVIA-HJWRWDBZSA-N 1 2 393.451 0.164 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000735381826 598808402 /nfs/dbraw/zinc/80/84/02/598808402.db2.gz QZPOUADLRGSVIA-HJWRWDBZSA-N 1 2 393.451 0.164 20 30 GCEDLO Fc1cc(-c2nn[nH]n2)ccc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000822740605 607463783 /nfs/dbraw/zinc/46/37/83/607463783.db2.gz LXDNQXMZPDJGOM-UHFFFAOYSA-N 1 2 392.464 0.526 20 30 GCEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819734356 606744555 /nfs/dbraw/zinc/74/45/55/606744555.db2.gz NAMHHKQTWCZOHU-HNNXBMFYSA-N 1 2 392.485 0.500 20 30 GCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000821169722 606783727 /nfs/dbraw/zinc/78/37/27/606783727.db2.gz BYUULMPCMHTDLN-UONOGXRCSA-N 1 2 398.475 0.175 20 30 GCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000821169722 606783728 /nfs/dbraw/zinc/78/37/28/606783728.db2.gz BYUULMPCMHTDLN-UONOGXRCSA-N 1 2 398.475 0.175 20 30 GCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000821169721 606783739 /nfs/dbraw/zinc/78/37/39/606783739.db2.gz BYUULMPCMHTDLN-KGLIPLIRSA-N 1 2 398.475 0.175 20 30 GCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000821169721 606783740 /nfs/dbraw/zinc/78/37/40/606783740.db2.gz BYUULMPCMHTDLN-KGLIPLIRSA-N 1 2 398.475 0.175 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000819701642 607048708 /nfs/dbraw/zinc/04/87/08/607048708.db2.gz KMJBEAALFYNOFF-SFHVURJKSA-N 1 2 395.467 0.864 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1 ZINC000819701642 607048710 /nfs/dbraw/zinc/04/87/10/607048710.db2.gz KMJBEAALFYNOFF-SFHVURJKSA-N 1 2 395.467 0.864 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823849961 608040788 /nfs/dbraw/zinc/04/07/88/608040788.db2.gz FBJZMMIWZNFWKL-CYBMUJFWSA-N 1 2 375.458 0.013 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(c2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000823849991 608183321 /nfs/dbraw/zinc/18/33/21/608183321.db2.gz GEGYGUKWCRSYOY-UHFFFAOYSA-N 1 2 380.865 0.238 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2snc(Cl)c2-c2nn[nH]n2)CC1 ZINC000823849991 608183322 /nfs/dbraw/zinc/18/33/22/608183322.db2.gz GEGYGUKWCRSYOY-UHFFFAOYSA-N 1 2 380.865 0.238 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000895915688 639033954 /nfs/dbraw/zinc/03/39/54/639033954.db2.gz HFYVIOHWAVNLBG-UHFFFAOYSA-N 1 2 379.511 0.734 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000761027926 640585734 /nfs/dbraw/zinc/58/57/34/640585734.db2.gz CBACJDAYFITQNS-OAHLLOKOSA-N 1 2 387.889 0.165 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccnc2Br)CC1 ZINC000791353758 641429803 /nfs/dbraw/zinc/42/98/03/641429803.db2.gz UPBGEZSYVULBDL-UHFFFAOYSA-N 1 2 393.285 0.670 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccnc2Br)CC1 ZINC000791353758 641429809 /nfs/dbraw/zinc/42/98/09/641429809.db2.gz UPBGEZSYVULBDL-UHFFFAOYSA-N 1 2 393.285 0.670 20 30 GCEDLO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)c(F)c1 ZINC000567963739 1192258749 /nfs/dbraw/zinc/25/87/49/1192258749.db2.gz KDDIOHJKBFJPOG-OAHLLOKOSA-N 1 2 396.426 0.674 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000279045463 1192445867 /nfs/dbraw/zinc/44/58/67/1192445867.db2.gz OUIRQMWXAMJFKJ-UHFFFAOYSA-N 1 2 396.491 0.640 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000279045463 1192445870 /nfs/dbraw/zinc/44/58/70/1192445870.db2.gz OUIRQMWXAMJFKJ-UHFFFAOYSA-N 1 2 396.491 0.640 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000279249535 1192495229 /nfs/dbraw/zinc/49/52/29/1192495229.db2.gz HABROZJVIXDEHB-OAHLLOKOSA-N 1 2 379.482 0.391 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000279302156 1192509527 /nfs/dbraw/zinc/50/95/27/1192509527.db2.gz MOCRGQXESQEIOK-OAHLLOKOSA-N 1 2 381.498 0.944 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279382242 1192533383 /nfs/dbraw/zinc/53/33/83/1192533383.db2.gz UJDKPPMDEFMBCS-LSDHHAIUSA-N 1 2 394.497 0.404 20 30 GCEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000279607951 1192562928 /nfs/dbraw/zinc/56/29/28/1192562928.db2.gz WPOWKTVLHVHZCM-UHFFFAOYSA-N 1 2 399.451 0.902 20 30 GCEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001745700736 1192718591 /nfs/dbraw/zinc/71/85/91/1192718591.db2.gz NMFFZFLRDJBEDT-WWNBULGVSA-N 1 2 379.501 0.484 20 30 GCEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000784923031 1184212643 /nfs/dbraw/zinc/21/26/43/1184212643.db2.gz DRERVZVOFKKXBS-UHFFFAOYSA-N 1 2 394.475 0.774 20 30 GCEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000275240780 1184563827 /nfs/dbraw/zinc/56/38/27/1184563827.db2.gz GDHZEKALSZVJAJ-NSHDSACASA-N 1 2 382.367 0.623 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000328641343 1184578520 /nfs/dbraw/zinc/57/85/20/1184578520.db2.gz DDFCRQDAOSYEKC-SFHVURJKSA-N 1 2 395.548 0.641 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000328647080 1184580251 /nfs/dbraw/zinc/58/02/51/1184580251.db2.gz HHEABGZCLUQNGJ-KRWDZBQOSA-N 1 2 381.521 0.251 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@@H]21 ZINC001083198781 1184676824 /nfs/dbraw/zinc/67/68/24/1184676824.db2.gz QHPROQBKLIYYMI-YDZRNGNQSA-N 1 2 391.512 0.892 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@@H]21 ZINC001083198781 1184676829 /nfs/dbraw/zinc/67/68/29/1184676829.db2.gz QHPROQBKLIYYMI-YDZRNGNQSA-N 1 2 391.512 0.892 20 30 GCEDLO N#Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1Cl ZINC000547976845 1184851013 /nfs/dbraw/zinc/85/10/13/1184851013.db2.gz YMCVFSNMQDLOKX-HNNXBMFYSA-N 1 2 376.844 0.875 20 30 GCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609178192 1184876669 /nfs/dbraw/zinc/87/66/69/1184876669.db2.gz KYFDHRRBFRPCJS-CQSZACIVSA-N 1 2 380.470 0.016 20 30 GCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609178192 1184876674 /nfs/dbraw/zinc/87/66/74/1184876674.db2.gz KYFDHRRBFRPCJS-CQSZACIVSA-N 1 2 380.470 0.016 20 30 GCEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@]2(C(N)=O)CCOC2)c1C#N ZINC000579137574 1184930391 /nfs/dbraw/zinc/93/03/91/1184930391.db2.gz DLMYKOQGIOXMBN-LJQANCHMSA-N 1 2 385.424 0.790 20 30 GCEDLO C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970697657 1184970277 /nfs/dbraw/zinc/97/02/77/1184970277.db2.gz BDGJOXFDPJKSRD-ADAWSYLGSA-N 1 2 383.452 0.513 20 30 GCEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)C2)c(F)c1 ZINC000580296294 1185143438 /nfs/dbraw/zinc/14/34/38/1185143438.db2.gz OOLXWIZABDHMEH-QGZVFWFLSA-N 1 2 397.458 0.960 20 30 GCEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1=O ZINC000023852608 1185761438 /nfs/dbraw/zinc/76/14/38/1185761438.db2.gz VBFJFYWBEYPEBC-UHFFFAOYSA-N 1 2 385.468 0.699 20 30 GCEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1=O ZINC000023852608 1185761442 /nfs/dbraw/zinc/76/14/42/1185761442.db2.gz VBFJFYWBEYPEBC-UHFFFAOYSA-N 1 2 385.468 0.699 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)CC2)o1 ZINC000126610156 1185770266 /nfs/dbraw/zinc/77/02/66/1185770266.db2.gz RFUUJSCLWUOYGM-UHFFFAOYSA-N 1 2 395.467 0.721 20 30 GCEDLO CN(CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000510439195 1185796713 /nfs/dbraw/zinc/79/67/13/1185796713.db2.gz CBYGCUKJSUEVSY-INIZCTEOSA-N 1 2 399.476 0.969 20 30 GCEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000610522248 1185815554 /nfs/dbraw/zinc/81/55/54/1185815554.db2.gz NPLUNIMREOVXEE-IBGZPJMESA-N 1 2 379.468 0.963 20 30 GCEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C(C)(C)C#N)C2 ZINC001143398259 1185912594 /nfs/dbraw/zinc/91/25/94/1185912594.db2.gz GBIYFNSBQDFAKQ-HNNXBMFYSA-N 1 2 375.473 0.744 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)C1 ZINC000891601933 1185937076 /nfs/dbraw/zinc/93/70/76/1185937076.db2.gz JAWTTZFCKCXYAW-AWEZNQCLSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)C1 ZINC000891601933 1185937081 /nfs/dbraw/zinc/93/70/81/1185937081.db2.gz JAWTTZFCKCXYAW-AWEZNQCLSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)C1 ZINC000891607990 1185939322 /nfs/dbraw/zinc/93/93/22/1185939322.db2.gz SMHLEWOZFCZKEF-CQSZACIVSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)C1 ZINC000891607990 1185939325 /nfs/dbraw/zinc/93/93/25/1185939325.db2.gz SMHLEWOZFCZKEF-CQSZACIVSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)C1 ZINC000891605429 1185939465 /nfs/dbraw/zinc/93/94/65/1185939465.db2.gz FQOVZCYMFIUVQN-MRXNPFEDSA-N 1 2 383.452 0.759 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)C1 ZINC000891605429 1185939466 /nfs/dbraw/zinc/93/94/66/1185939466.db2.gz FQOVZCYMFIUVQN-MRXNPFEDSA-N 1 2 383.452 0.759 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(OC)c2OC)C1 ZINC000891605997 1185940106 /nfs/dbraw/zinc/94/01/06/1185940106.db2.gz JFLBTEYSJZQQII-CYBMUJFWSA-N 1 2 375.425 0.865 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(OC)c2OC)C1 ZINC000891605997 1185940109 /nfs/dbraw/zinc/94/01/09/1185940109.db2.gz JFLBTEYSJZQQII-CYBMUJFWSA-N 1 2 375.425 0.865 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)NC)ccc2Cl)C1 ZINC000891605891 1185940340 /nfs/dbraw/zinc/94/03/40/1185940340.db2.gz BPYZTAQOXSBXNY-CYBMUJFWSA-N 1 2 376.844 0.852 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)NC)ccc2Cl)C1 ZINC000891605891 1185940343 /nfs/dbraw/zinc/94/03/43/1185940343.db2.gz BPYZTAQOXSBXNY-CYBMUJFWSA-N 1 2 376.844 0.852 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000891606555 1185940427 /nfs/dbraw/zinc/94/04/27/1185940427.db2.gz GXRRNALERYWBHC-MRXNPFEDSA-N 1 2 396.447 0.488 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000891606555 1185940431 /nfs/dbraw/zinc/94/04/31/1185940431.db2.gz GXRRNALERYWBHC-MRXNPFEDSA-N 1 2 396.447 0.488 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000891608473 1185942123 /nfs/dbraw/zinc/94/21/23/1185942123.db2.gz ZMOYSEIUIIVYQX-INIZCTEOSA-N 1 2 388.443 0.815 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000891608473 1185942126 /nfs/dbraw/zinc/94/21/26/1185942126.db2.gz ZMOYSEIUIIVYQX-INIZCTEOSA-N 1 2 388.443 0.815 20 30 GCEDLO Cc1nn(C)c(N2CC[NH+](Cc3c(C)nn(C)c3N3CCOCC3)CC2)c1C#N ZINC000471800686 1185964903 /nfs/dbraw/zinc/96/49/03/1185964903.db2.gz WPCRCNHNJMEMAS-UHFFFAOYSA-N 1 2 398.515 0.801 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001111489806 1185968147 /nfs/dbraw/zinc/96/81/47/1185968147.db2.gz LMMLBPCHOUTDJD-MIGQKNRLSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001111489806 1185968151 /nfs/dbraw/zinc/96/81/51/1185968151.db2.gz LMMLBPCHOUTDJD-MIGQKNRLSA-N 1 2 378.473 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1187716514 /nfs/dbraw/zinc/71/65/14/1187716514.db2.gz ARXUGVVKWMQYJS-PSBWJHGTSA-N 1 2 378.432 0.425 20 30 GCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000414107778 1187718950 /nfs/dbraw/zinc/71/89/50/1187718950.db2.gz KUQRJPKFYIAPNY-YOEHRIQHSA-N 1 2 375.385 0.568 20 30 GCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000414107778 1187718953 /nfs/dbraw/zinc/71/89/53/1187718953.db2.gz KUQRJPKFYIAPNY-YOEHRIQHSA-N 1 2 375.385 0.568 20 30 GCEDLO C#CC[C@@]1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCCN1C(=O)OC(C)(C)C ZINC000377694421 1188107107 /nfs/dbraw/zinc/10/71/07/1188107107.db2.gz IWIHRXDGWORREA-JXFKEZNVSA-N 1 2 376.501 0.895 20 30 GCEDLO C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N(C)C)CC2)c(OC)c1 ZINC000614224655 1193750158 /nfs/dbraw/zinc/75/01/58/1193750158.db2.gz NJFMJWBJXPQRKM-GOSISDBHSA-N 1 2 391.512 0.869 20 30 GCEDLO C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508819180 1193819463 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C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000440278110 1195400520 /nfs/dbraw/zinc/40/05/20/1195400520.db2.gz CYHHHUKVTVRKHQ-AWEZNQCLSA-N 1 2 394.497 0.594 20 30 GCEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000440287423 1195402137 /nfs/dbraw/zinc/40/21/37/1195402137.db2.gz ZMZCSUWVRIECDS-GFCCVEGCSA-N 1 2 386.843 1.498 20 30 GCEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000440287423 1195402140 /nfs/dbraw/zinc/40/21/40/1195402140.db2.gz ZMZCSUWVRIECDS-GFCCVEGCSA-N 1 2 386.843 1.498 20 30 GCEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000440283192 1195404523 /nfs/dbraw/zinc/40/45/23/1195404523.db2.gz OAWQZDBUELEADA-LBPRGKRZSA-N 1 2 386.843 1.498 20 30 GCEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000440283192 1195404525 /nfs/dbraw/zinc/40/45/25/1195404525.db2.gz OAWQZDBUELEADA-LBPRGKRZSA-N 1 2 386.843 1.498 20 30 GCEDLO 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CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000328982996 1195684352 /nfs/dbraw/zinc/68/43/52/1195684352.db2.gz YSWLIGACUZTJTD-IKGGRYGDSA-N 1 2 380.489 0.666 20 30 GCEDLO CCCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000330631638 1195700577 /nfs/dbraw/zinc/70/05/77/1195700577.db2.gz GKIUGBQVTXCGEP-CABCVRRESA-N 1 2 390.550 0.803 20 30 GCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330759115 1195706280 /nfs/dbraw/zinc/70/62/80/1195706280.db2.gz LYIOUAVNIYGPIZ-DLBZAZTESA-N 1 2 387.546 0.926 20 30 GCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330759115 1195706281 /nfs/dbraw/zinc/70/62/81/1195706281.db2.gz LYIOUAVNIYGPIZ-DLBZAZTESA-N 1 2 387.546 0.926 20 30 GCEDLO CC(C)(C)NC(=O)N1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000330922549 1195715359 /nfs/dbraw/zinc/71/53/59/1195715359.db2.gz RRZBLNWLBURBTP-UHFFFAOYSA-N 1 2 390.550 0.805 20 30 GCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000331125363 1195720290 /nfs/dbraw/zinc/72/02/90/1195720290.db2.gz CYCYHCLWCAUKGX-CQSZACIVSA-N 1 2 382.486 0.979 20 30 GCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000331125363 1195720293 /nfs/dbraw/zinc/72/02/93/1195720293.db2.gz CYCYHCLWCAUKGX-CQSZACIVSA-N 1 2 382.486 0.979 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN(C(=O)CCC)C2)CC1 ZINC000104007711 1196054104 /nfs/dbraw/zinc/05/41/04/1196054104.db2.gz VLKCBTZWRVRCBQ-QGZVFWFLSA-N 1 2 376.501 0.309 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(C(=O)CCC)C2)CC1 ZINC000104007711 1196054106 /nfs/dbraw/zinc/05/41/06/1196054106.db2.gz VLKCBTZWRVRCBQ-QGZVFWFLSA-N 1 2 376.501 0.309 20 30 GCEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000280863263 1196114145 /nfs/dbraw/zinc/11/41/45/1196114145.db2.gz KXXCDDKNILLUEN-RBUKOAKNSA-N 1 2 395.463 0.290 20 30 GCEDLO CNC(=O)c1ccn([C@H]2CCC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)n1 ZINC000329008628 1196156187 /nfs/dbraw/zinc/15/61/87/1196156187.db2.gz YXCBMIIYMKBQRB-AWEZNQCLSA-N 1 2 376.461 0.459 20 30 GCEDLO CNC(=O)c1ccn([C@H]2CCC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)n1 ZINC000329008628 1196156189 /nfs/dbraw/zinc/15/61/89/1196156189.db2.gz YXCBMIIYMKBQRB-AWEZNQCLSA-N 1 2 376.461 0.459 20 30 GCEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[NH+]1CCOCC1 ZINC000329110647 1196165140 /nfs/dbraw/zinc/16/51/40/1196165140.db2.gz QLPGDBXILAKPBM-GBJTYRQASA-N 1 2 387.502 0.088 20 30 GCEDLO C[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329110646 1196165448 /nfs/dbraw/zinc/16/54/48/1196165448.db2.gz QLPGDBXILAKPBM-BYNSBNAKSA-N 1 2 387.502 0.088 20 30 GCEDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2nc[nH]c2cc1F ZINC000329155373 1196169720 /nfs/dbraw/zinc/16/97/20/1196169720.db2.gz ATSXXJXODXHSOW-GFCCVEGCSA-N 1 2 375.404 0.940 20 30 GCEDLO Cc1cccn2c(=O)c(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc12 ZINC000329181487 1196172912 /nfs/dbraw/zinc/17/29/12/1196172912.db2.gz OQOZQPJBWKXQHY-HNNXBMFYSA-N 1 2 399.451 0.241 20 30 GCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000329302280 1196183955 /nfs/dbraw/zinc/18/39/55/1196183955.db2.gz NIGSIRNLPYXSPY-CVEARBPZSA-N 1 2 388.534 0.557 20 30 GCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000329302280 1196183958 /nfs/dbraw/zinc/18/39/58/1196183958.db2.gz NIGSIRNLPYXSPY-CVEARBPZSA-N 1 2 388.534 0.557 20 30 GCEDLO CN(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@@H]1CCN(C)C1=O ZINC000329348840 1196187927 /nfs/dbraw/zinc/18/79/27/1196187927.db2.gz SKAYEKTWUJREST-CKEIUWERSA-N 1 2 388.472 0.691 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCCn4ncnc43)ccn2)CC1 ZINC000329468389 1196198924 /nfs/dbraw/zinc/19/89/24/1196198924.db2.gz WVNGECPFQWHXNP-CQSZACIVSA-N 1 2 384.444 0.731 20 30 GCEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCN1c1nccn2cnnc12 ZINC000329608881 1196209523 /nfs/dbraw/zinc/20/95/23/1196209523.db2.gz NFWQPCSSQHTAQH-CHWSQXEVSA-N 1 2 381.444 0.829 20 30 GCEDLO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329725341 1196227331 /nfs/dbraw/zinc/22/73/31/1196227331.db2.gz DLBIPQLVBHFEFL-JKSUJKDBSA-N 1 2 380.489 0.667 20 30 GCEDLO Cc1nc2cncc(N3CCN(C([O-])=[NH+][C@H]4CCc5[nH]c[nH+]c5C4)CC3)n2n1 ZINC000329749624 1196229418 /nfs/dbraw/zinc/22/94/18/1196229418.db2.gz UJGFRTLYZVBTES-ZDUSSCGKSA-N 1 2 381.444 0.749 20 30 GCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000329843025 1196234202 /nfs/dbraw/zinc/23/42/02/1196234202.db2.gz KRLKWFRDIXTVCW-UHFFFAOYSA-N 1 2 388.472 0.982 20 30 GCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000329843025 1196234204 /nfs/dbraw/zinc/23/42/04/1196234204.db2.gz KRLKWFRDIXTVCW-UHFFFAOYSA-N 1 2 388.472 0.982 20 30 GCEDLO Cc1c([C@@H]2[C@H](C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC(=O)N2C)cnn1C ZINC000329865458 1196235128 /nfs/dbraw/zinc/23/51/28/1196235128.db2.gz AGUKHXSDAZSMPS-JOQOYGCGSA-N 1 2 376.505 0.840 20 30 GCEDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000329963705 1196243014 /nfs/dbraw/zinc/24/30/14/1196243014.db2.gz SQXUUUYPJNTSSJ-PBHICJAKSA-N 1 2 396.513 0.883 20 30 GCEDLO CC(C)N1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000330258541 1196262153 /nfs/dbraw/zinc/26/21/53/1196262153.db2.gz RKZOUAJDIUKGRQ-OAHLLOKOSA-N 1 2 375.477 0.112 20 30 GCEDLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330331312 1196289495 /nfs/dbraw/zinc/28/94/95/1196289495.db2.gz NZPZFVFMLPOTJR-HUUCEWRRSA-N 1 2 393.492 0.285 20 30 GCEDLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330331312 1196289497 /nfs/dbraw/zinc/28/94/97/1196289497.db2.gz NZPZFVFMLPOTJR-HUUCEWRRSA-N 1 2 393.492 0.285 20 30 GCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000281471815 1196299053 /nfs/dbraw/zinc/29/90/53/1196299053.db2.gz WAMIDXGKHBLUNN-HZPDHXFCSA-N 1 2 388.468 0.671 20 30 GCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000281471815 1196299058 /nfs/dbraw/zinc/29/90/58/1196299058.db2.gz WAMIDXGKHBLUNN-HZPDHXFCSA-N 1 2 388.468 0.671 20 30 GCEDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000444224299 1196364389 /nfs/dbraw/zinc/36/43/89/1196364389.db2.gz PBKWLCGTEJEXOR-GFCCVEGCSA-N 1 2 382.442 0.932 20 30 GCEDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000444224299 1196364394 /nfs/dbraw/zinc/36/43/94/1196364394.db2.gz PBKWLCGTEJEXOR-GFCCVEGCSA-N 1 2 382.442 0.932 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@](C)(C(N)=O)c3ccccc3)CC2)o1 ZINC000101548641 1196377101 /nfs/dbraw/zinc/37/71/01/1196377101.db2.gz UPIPUAZOTULZOP-FQEVSTJZSA-N 1 2 396.451 0.494 20 30 GCEDLO COc1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1OCCCC#N ZINC000897282484 1196438291 /nfs/dbraw/zinc/43/82/91/1196438291.db2.gz MBJIZYWVZYOKII-OAHLLOKOSA-N 1 2 380.470 0.712 20 30 GCEDLO COc1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1OCCCC#N ZINC000897282484 1196438293 /nfs/dbraw/zinc/43/82/93/1196438293.db2.gz MBJIZYWVZYOKII-OAHLLOKOSA-N 1 2 380.470 0.712 20 30 GCEDLO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCOCC1 ZINC000444600841 1196509083 /nfs/dbraw/zinc/50/90/83/1196509083.db2.gz UVRSBSADLLOGAJ-OAHLLOKOSA-N 1 2 376.461 0.598 20 30 GCEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528337359 1196850882 /nfs/dbraw/zinc/85/08/82/1196850882.db2.gz JQPAGTLFMPZNKT-MRXNPFEDSA-N 1 2 394.475 0.571 20 30 GCEDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528401838 1196856470 /nfs/dbraw/zinc/85/64/70/1196856470.db2.gz ZUYGHSWJPRQHCH-PKOBYXMFSA-N 1 2 386.496 0.926 20 30 GCEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528401838 1196856476 /nfs/dbraw/zinc/85/64/76/1196856476.db2.gz ZUYGHSWJPRQHCH-PKOBYXMFSA-N 1 2 386.496 0.926 20 30 GCEDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528401832 1196856484 /nfs/dbraw/zinc/85/64/84/1196856484.db2.gz ZUYGHSWJPRQHCH-HKUYNNGSSA-N 1 2 386.496 0.926 20 30 GCEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528401832 1196856487 /nfs/dbraw/zinc/85/64/87/1196856487.db2.gz ZUYGHSWJPRQHCH-HKUYNNGSSA-N 1 2 386.496 0.926 20 30 GCEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528428182 1196858871 /nfs/dbraw/zinc/85/88/71/1196858871.db2.gz AKKVASNHNIJGMV-AWEZNQCLSA-N 1 2 375.450 0.300 20 30 GCEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528428182 1196858876 /nfs/dbraw/zinc/85/88/76/1196858876.db2.gz AKKVASNHNIJGMV-AWEZNQCLSA-N 1 2 375.450 0.300 20 30 GCEDLO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000528508878 1196865929 /nfs/dbraw/zinc/86/59/29/1196865929.db2.gz WPBZWJDYEKYXQN-AWEZNQCLSA-N 1 2 375.450 0.252 20 30 GCEDLO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000528508878 1196865933 /nfs/dbraw/zinc/86/59/33/1196865933.db2.gz WPBZWJDYEKYXQN-AWEZNQCLSA-N 1 2 375.450 0.252 20 30 GCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000585731098 1196976458 /nfs/dbraw/zinc/97/64/58/1196976458.db2.gz GZNKZBMYJCXHFW-ZDUSSCGKSA-N 1 2 397.439 0.474 20 30 GCEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)C1=O ZINC000282033575 1197045532 /nfs/dbraw/zinc/04/55/32/1197045532.db2.gz QIESFEGSPXBJRY-LJQANCHMSA-N 1 2 386.496 0.830 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000531699302 1197092998 /nfs/dbraw/zinc/09/29/98/1197092998.db2.gz ZUEJTUSPRJBCSI-UONOGXRCSA-N 1 2 380.470 0.062 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000531699302 1197093000 /nfs/dbraw/zinc/09/30/00/1197093000.db2.gz ZUEJTUSPRJBCSI-UONOGXRCSA-N 1 2 380.470 0.062 20 30 GCEDLO N#Cc1ccc(CN2CC[C@H](N3C(=O)N[C@@H](Cc4c[nH]c[nH+]4)C3=O)C2=O)cc1 ZINC000348558927 1197238018 /nfs/dbraw/zinc/23/80/18/1197238018.db2.gz WYWOSEPAPAPYKO-HOTGVXAUSA-N 1 2 378.392 0.545 20 30 GCEDLO N#Cc1ccc(CN2CC[C@H](N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)C2=O)cc1 ZINC000348558927 1197238019 /nfs/dbraw/zinc/23/80/19/1197238019.db2.gz WYWOSEPAPAPYKO-HOTGVXAUSA-N 1 2 378.392 0.545 20 30 GCEDLO CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000349479782 1197259163 /nfs/dbraw/zinc/25/91/63/1197259163.db2.gz JVIYPFYNGACJBX-UHFFFAOYSA-N 1 2 395.466 0.232 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610805424 1197288468 /nfs/dbraw/zinc/28/84/68/1197288468.db2.gz VLFPCVPRLBFIQJ-ZDUSSCGKSA-N 1 2 386.433 0.910 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)NC(=O)C2CCCCC2)CC1 ZINC000112904113 1197335311 /nfs/dbraw/zinc/33/53/11/1197335311.db2.gz YCTKNQPDDVXHFP-QGZVFWFLSA-N 1 2 390.528 0.745 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)NC(=O)C2CCCCC2)CC1 ZINC000112904113 1197335314 /nfs/dbraw/zinc/33/53/14/1197335314.db2.gz YCTKNQPDDVXHFP-QGZVFWFLSA-N 1 2 390.528 0.745 20 30 GCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000121168776 1197343766 /nfs/dbraw/zinc/34/37/66/1197343766.db2.gz IRFHHUMPPSVTDG-GOSISDBHSA-N 1 2 375.517 0.623 20 30 GCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000121168776 1197343769 /nfs/dbraw/zinc/34/37/69/1197343769.db2.gz IRFHHUMPPSVTDG-GOSISDBHSA-N 1 2 375.517 0.623 20 30 GCEDLO Cn1ncc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1C#N ZINC000475910818 1197378974 /nfs/dbraw/zinc/37/89/74/1197378974.db2.gz KTWKOONNLSHEFF-AWEZNQCLSA-N 1 2 396.455 0.317 20 30 GCEDLO Cn1ncc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1C#N ZINC000475910818 1197378976 /nfs/dbraw/zinc/37/89/76/1197378976.db2.gz KTWKOONNLSHEFF-AWEZNQCLSA-N 1 2 396.455 0.317 20 30 GCEDLO Cc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)n(CCC#N)n1 ZINC000533008194 1197426420 /nfs/dbraw/zinc/42/64/20/1197426420.db2.gz HIBZXLKTHZEJTO-INIZCTEOSA-N 1 2 390.488 0.907 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2N2CCOCC2)CC1 ZINC000079049095 1197520793 /nfs/dbraw/zinc/52/07/93/1197520793.db2.gz WIPLFDSSLVQETH-UHFFFAOYSA-N 1 2 384.480 0.421 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2N2CCOCC2)CC1 ZINC000079049095 1197520796 /nfs/dbraw/zinc/52/07/96/1197520796.db2.gz WIPLFDSSLVQETH-UHFFFAOYSA-N 1 2 384.480 0.421 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(C)c2-c2ccccc2)CC1 ZINC000271757406 1197558850 /nfs/dbraw/zinc/55/88/50/1197558850.db2.gz DZTWIIIDLMKNQR-UHFFFAOYSA-N 1 2 379.464 0.984 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C)c2-c2ccccc2)CC1 ZINC000271757406 1197558854 /nfs/dbraw/zinc/55/88/54/1197558854.db2.gz DZTWIIIDLMKNQR-UHFFFAOYSA-N 1 2 379.464 0.984 20 30 GCEDLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)NCc2ccc(C#N)cc2)C1)C(N)=O ZINC000513251489 1199116715 /nfs/dbraw/zinc/11/67/15/1199116715.db2.gz BTAVREVHAXFYPN-UHFFFAOYSA-N 1 2 385.468 0.267 20 30 GCEDLO CCc1nn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c(=O)c(C#N)c1CC ZINC000110147485 1199121979 /nfs/dbraw/zinc/12/19/79/1199121979.db2.gz UISIMHUZJALUDE-UHFFFAOYSA-N 1 2 375.473 0.467 20 30 GCEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCSC[C@@H]2CO)CC1 ZINC000543188277 1199571733 /nfs/dbraw/zinc/57/17/33/1199571733.db2.gz VVKOZGOKQBWCNY-ZWKOTPCHSA-N 1 2 392.500 0.944 20 30 GCEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2CO)CC1 ZINC000543188277 1199571740 /nfs/dbraw/zinc/57/17/40/1199571740.db2.gz VVKOZGOKQBWCNY-ZWKOTPCHSA-N 1 2 392.500 0.944 20 30 GCEDLO C[C@H](c1ccc(C#N)cc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000118532605 1199766382 /nfs/dbraw/zinc/76/63/82/1199766382.db2.gz KMCUGRXCGLNLTP-MRXNPFEDSA-N 1 2 377.514 0.729 20 30 GCEDLO CCC[N@H+](CC(N)=O)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000429130761 1199939405 /nfs/dbraw/zinc/93/94/05/1199939405.db2.gz HYJHQHVYPVRXJI-QGZVFWFLSA-N 1 2 375.448 0.732 20 30 GCEDLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000429130761 1199939409 /nfs/dbraw/zinc/93/94/09/1199939409.db2.gz HYJHQHVYPVRXJI-QGZVFWFLSA-N 1 2 375.448 0.732 20 30 GCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001004813722 1199966312 /nfs/dbraw/zinc/96/63/12/1199966312.db2.gz ZQIYDMVADASYNV-YSTOQKLRSA-N 1 2 381.476 0.789 20 30 GCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001004813722 1199966315 /nfs/dbraw/zinc/96/63/15/1199966315.db2.gz ZQIYDMVADASYNV-YSTOQKLRSA-N 1 2 381.476 0.789 20 30 GCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001004813725 1199966401 /nfs/dbraw/zinc/96/64/01/1199966401.db2.gz ZQIYDMVADASYNV-ZRNYENFQSA-N 1 2 381.476 0.789 20 30 GCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001004813725 1199966402 /nfs/dbraw/zinc/96/64/02/1199966402.db2.gz ZQIYDMVADASYNV-ZRNYENFQSA-N 1 2 381.476 0.789 20 30 GCEDLO N#CCCn1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000530782003 1200668242 /nfs/dbraw/zinc/66/82/42/1200668242.db2.gz LZMYMPOBEABZPA-UHFFFAOYSA-N 1 2 395.467 0.674 20 30 GCEDLO N#Cc1cc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1F ZINC000568633791 1200683066 /nfs/dbraw/zinc/68/30/66/1200683066.db2.gz AZBIRPLPUYJNEE-UHFFFAOYSA-N 1 2 386.387 0.803 20 30 GCEDLO O=C(NC1CC1)[C@H]1CCCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330315633 1200876095 /nfs/dbraw/zinc/87/60/95/1200876095.db2.gz YWQVHMHFBCSDSH-OAHLLOKOSA-N 1 2 376.461 1.331 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563670 1201135098 /nfs/dbraw/zinc/13/50/98/1201135098.db2.gz JMBJLCZTPNCZRQ-YRPNKDGESA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563670 1201135103 /nfs/dbraw/zinc/13/51/03/1201135103.db2.gz JMBJLCZTPNCZRQ-YRPNKDGESA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)[C@H](C)[C@H](C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563670 1201135107 /nfs/dbraw/zinc/13/51/07/1201135107.db2.gz JMBJLCZTPNCZRQ-YRPNKDGESA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)[C@H](C)[C@H](C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563670 1201135112 /nfs/dbraw/zinc/13/51/12/1201135112.db2.gz JMBJLCZTPNCZRQ-YRPNKDGESA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@@H](NC(=O)CSCC(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923578096 1201151557 /nfs/dbraw/zinc/15/15/57/1201151557.db2.gz CIBRYURFUZWYSY-QZTJIDSGSA-N 1 2 390.553 0.147 20 30 GCEDLO C#CCN1CCC[C@@H](NC(=O)CSCC(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923578096 1201151561 /nfs/dbraw/zinc/15/15/61/1201151561.db2.gz CIBRYURFUZWYSY-QZTJIDSGSA-N 1 2 390.553 0.147 20 30 GCEDLO N#Cc1nc(N)n(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1C#N ZINC000504181562 1201164615 /nfs/dbraw/zinc/16/46/15/1201164615.db2.gz JCMDHVCQFBUMID-UHFFFAOYSA-N 1 2 379.424 0.357 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000923588886 1201169220 /nfs/dbraw/zinc/16/92/20/1201169220.db2.gz KBIQYYRVRYLRLK-AWEZNQCLSA-N 1 2 397.522 0.596 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000923588886 1201169221 /nfs/dbraw/zinc/16/92/21/1201169221.db2.gz KBIQYYRVRYLRLK-AWEZNQCLSA-N 1 2 397.522 0.596 20 30 GCEDLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN(CCC#N)CC3)CC2)cc1 ZINC000611173637 1201221344 /nfs/dbraw/zinc/22/13/44/1201221344.db2.gz DUVXOYHNSLPEGB-UHFFFAOYSA-N 1 2 385.512 0.871 20 30 GCEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001081683963 1201299095 /nfs/dbraw/zinc/29/90/95/1201299095.db2.gz YCFYMBBDIJTBLA-BDQAWRDZSA-N 1 2 388.443 0.927 20 30 GCEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001081683963 1201299102 /nfs/dbraw/zinc/29/91/02/1201299102.db2.gz YCFYMBBDIJTBLA-BDQAWRDZSA-N 1 2 388.443 0.927 20 30 GCEDLO C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H](OC)C1 ZINC001081977820 1201314585 /nfs/dbraw/zinc/31/45/85/1201314585.db2.gz XRKVWEXRGRCLIR-WCXIOVBPSA-N 1 2 387.908 0.434 20 30 GCEDLO CO[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001082140178 1201318666 /nfs/dbraw/zinc/31/86/66/1201318666.db2.gz NQLGITKPHJEEQE-YYIAUSFCSA-N 1 2 375.856 0.628 20 30 GCEDLO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001082140178 1201318668 /nfs/dbraw/zinc/31/86/68/1201318668.db2.gz NQLGITKPHJEEQE-YYIAUSFCSA-N 1 2 375.856 0.628 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001082226264 1201329404 /nfs/dbraw/zinc/32/94/04/1201329404.db2.gz WWCUPULFSFDXDN-IDCNUPLLSA-N 1 2 377.489 0.903 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001082226264 1201329414 /nfs/dbraw/zinc/32/94/14/1201329414.db2.gz WWCUPULFSFDXDN-IDCNUPLLSA-N 1 2 377.489 0.903 20 30 GCEDLO C[C@H]1CC(=O)N[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@H]32)C1 ZINC001083085081 1201382733 /nfs/dbraw/zinc/38/27/33/1201382733.db2.gz ZAACTUUPQOFHIF-VDNDLQMASA-N 1 2 388.493 0.946 20 30 GCEDLO C[C@H]1CC(=O)N[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@@H]32)C1 ZINC001083085081 1201382740 /nfs/dbraw/zinc/38/27/40/1201382740.db2.gz ZAACTUUPQOFHIF-VDNDLQMASA-N 1 2 388.493 0.946 20 30 GCEDLO N#Cc1nccc(N2CC[C@@H]([NH+]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC3)C2)n1 ZINC001065206415 1201413161 /nfs/dbraw/zinc/41/31/61/1201413161.db2.gz LJPWXNCDCVAJIH-UWGWQUPMSA-N 1 2 394.479 0.495 20 30 GCEDLO CC(=NNc1nc2[nH][nH]cc-2c(=O)n1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000731158081 1201473644 /nfs/dbraw/zinc/47/36/44/1201473644.db2.gz ZHGFSAHOXGDIRF-UHFFFAOYSA-N 1 2 383.412 0.806 20 30 GCEDLO C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 ZINC001085031218 1201551455 /nfs/dbraw/zinc/55/14/55/1201551455.db2.gz MWSHOSWZZRZQQC-ZOBORPQBSA-N 1 2 386.290 0.851 20 30 GCEDLO C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 ZINC001085031218 1201551461 /nfs/dbraw/zinc/55/14/61/1201551461.db2.gz MWSHOSWZZRZQQC-ZOBORPQBSA-N 1 2 386.290 0.851 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc(C=O)cc2OC)CC1 ZINC000733148634 1201577165 /nfs/dbraw/zinc/57/71/65/1201577165.db2.gz GEARYIAOSXRYRH-UHFFFAOYSA-N 1 2 387.436 0.170 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(C=O)cc2OC)CC1 ZINC000733148634 1201577167 /nfs/dbraw/zinc/57/71/67/1201577167.db2.gz GEARYIAOSXRYRH-UHFFFAOYSA-N 1 2 387.436 0.170 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 ZINC000733149005 1201577422 /nfs/dbraw/zinc/57/74/22/1201577422.db2.gz UCASXICMZSJDQU-QGZVFWFLSA-N 1 2 385.468 0.070 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 ZINC000733149005 1201577429 /nfs/dbraw/zinc/57/74/29/1201577429.db2.gz UCASXICMZSJDQU-QGZVFWFLSA-N 1 2 385.468 0.070 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)CC1 ZINC000733148985 1201577787 /nfs/dbraw/zinc/57/77/87/1201577787.db2.gz SEAJQRWFCOWOIM-UHFFFAOYSA-N 1 2 395.463 0.024 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)CC1 ZINC000733148985 1201577789 /nfs/dbraw/zinc/57/77/89/1201577789.db2.gz SEAJQRWFCOWOIM-UHFFFAOYSA-N 1 2 395.463 0.024 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn(C)nc2-c2ccncc2)CC1 ZINC000733150086 1201578361 /nfs/dbraw/zinc/57/83/61/1201578361.db2.gz AGWPXGZZTNZTIQ-UHFFFAOYSA-N 1 2 380.452 0.379 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn(C)nc2-c2ccncc2)CC1 ZINC000733150086 1201578371 /nfs/dbraw/zinc/57/83/71/1201578371.db2.gz AGWPXGZZTNZTIQ-UHFFFAOYSA-N 1 2 380.452 0.379 20 30 GCEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000734216925 1201645994 /nfs/dbraw/zinc/64/59/94/1201645994.db2.gz ZZUSMRABABVMAB-RAJOGRCSSA-N 1 2 398.467 0.996 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383849 1201777495 /nfs/dbraw/zinc/77/74/95/1201777495.db2.gz OCCNJJUWGVLKFM-HOCLYGCPSA-N 1 2 375.425 0.831 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383849 1201777499 /nfs/dbraw/zinc/77/74/99/1201777499.db2.gz OCCNJJUWGVLKFM-HOCLYGCPSA-N 1 2 375.425 0.831 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(-c3nnc(C)o3)c2)CC1 ZINC000742250766 1201793652 /nfs/dbraw/zinc/79/36/52/1201793652.db2.gz JZGPWLANUIQLCC-UHFFFAOYSA-N 1 2 381.436 0.942 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(-c3nnc(C)o3)c2)CC1 ZINC000742250766 1201793655 /nfs/dbraw/zinc/79/36/55/1201793655.db2.gz JZGPWLANUIQLCC-UHFFFAOYSA-N 1 2 381.436 0.942 20 30 GCEDLO C[C@@H](CC(=O)N(C)CC[NH+]1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742618220 1201802936 /nfs/dbraw/zinc/80/29/36/1201802936.db2.gz BEXJVZLHWQATNL-AWEZNQCLSA-N 1 2 394.497 0.294 20 30 GCEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744403074 1201842026 /nfs/dbraw/zinc/84/20/26/1201842026.db2.gz VGZMBBXOADSOFN-UHFFFAOYSA-N 1 2 399.451 0.227 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000745079765 1201864672 /nfs/dbraw/zinc/86/46/72/1201864672.db2.gz OVFFPHVFWMWYPN-HNNXBMFYSA-N 1 2 375.429 0.531 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000745079765 1201864675 /nfs/dbraw/zinc/86/46/75/1201864675.db2.gz OVFFPHVFWMWYPN-HNNXBMFYSA-N 1 2 375.429 0.531 20 30 GCEDLO N#CCn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000746355843 1201912656 /nfs/dbraw/zinc/91/26/56/1201912656.db2.gz OPTNAXDJKRQTTC-UHFFFAOYSA-N 1 2 399.430 0.423 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 ZINC000804276397 1201924472 /nfs/dbraw/zinc/92/44/72/1201924472.db2.gz OHCQZCNXRILBSW-WMZOPIPTSA-N 1 2 391.493 0.868 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 ZINC000804276397 1201924475 /nfs/dbraw/zinc/92/44/75/1201924475.db2.gz OHCQZCNXRILBSW-WMZOPIPTSA-N 1 2 391.493 0.868 20 30 GCEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766633876 1201940706 /nfs/dbraw/zinc/94/07/06/1201940706.db2.gz TZFVLBGJFFIKHZ-MRXNPFEDSA-N 1 2 383.496 0.795 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767580359 1201978301 /nfs/dbraw/zinc/97/83/01/1201978301.db2.gz VCOXTFPMEQQIJU-BMFZPTHFSA-N 1 2 393.465 0.631 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767580359 1201978302 /nfs/dbraw/zinc/97/83/02/1201978302.db2.gz VCOXTFPMEQQIJU-BMFZPTHFSA-N 1 2 393.465 0.631 20 30 GCEDLO CC#CCCCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000767665869 1201982196 /nfs/dbraw/zinc/98/21/96/1201982196.db2.gz JEXNGGGXTKNSQK-UHFFFAOYSA-N 1 2 384.440 0.749 20 30 GCEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCOC1)C2)NCC#Cc1ccccc1 ZINC001109024938 1201989902 /nfs/dbraw/zinc/98/99/02/1201989902.db2.gz BKHXEBDMWDFIPH-YRPNKDGESA-N 1 2 381.476 0.912 20 30 GCEDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCOC1)C2)NCC#Cc1ccccc1 ZINC001109024938 1201989903 /nfs/dbraw/zinc/98/99/03/1201989903.db2.gz BKHXEBDMWDFIPH-YRPNKDGESA-N 1 2 381.476 0.912 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCC ZINC001109038241 1201991973 /nfs/dbraw/zinc/99/19/73/1201991973.db2.gz NSZSSCDBJDKOOB-FZKCQIBNSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCC ZINC001109038241 1201991975 /nfs/dbraw/zinc/99/19/75/1201991975.db2.gz NSZSSCDBJDKOOB-FZKCQIBNSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCCCC)C2 ZINC001109036112 1201992034 /nfs/dbraw/zinc/99/20/34/1201992034.db2.gz HUPYZAYRGFTPBF-WCVJEAGWSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCCCC)C2 ZINC001109036112 1201992036 /nfs/dbraw/zinc/99/20/36/1201992036.db2.gz HUPYZAYRGFTPBF-WCVJEAGWSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001109064770 1201992406 /nfs/dbraw/zinc/99/24/06/1201992406.db2.gz BGJHBAHCAXHGNA-FZKCQIBNSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001109064770 1201992408 /nfs/dbraw/zinc/99/24/08/1201992408.db2.gz BGJHBAHCAXHGNA-FZKCQIBNSA-N 1 2 380.489 0.781 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1cccc(C)c1 ZINC001109167944 1201999693 /nfs/dbraw/zinc/99/96/93/1201999693.db2.gz LLHRFUCNMNMNQN-SQNIBIBYSA-N 1 2 382.464 0.795 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1cccc(C)c1 ZINC001109167944 1201999694 /nfs/dbraw/zinc/99/96/94/1201999694.db2.gz LLHRFUCNMNMNQN-SQNIBIBYSA-N 1 2 382.464 0.795 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccccc1 ZINC001109168266 1201999787 /nfs/dbraw/zinc/99/97/87/1201999787.db2.gz RSWGHGZNAPTPFL-SQNIBIBYSA-N 1 2 382.464 0.164 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccccc1 ZINC001109168266 1201999789 /nfs/dbraw/zinc/99/97/89/1201999789.db2.gz RSWGHGZNAPTPFL-SQNIBIBYSA-N 1 2 382.464 0.164 20 30 GCEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001109171628 1202000022 /nfs/dbraw/zinc/00/00/22/1202000022.db2.gz XRRUIHMYXBIQJT-YVSFHVDLSA-N 1 2 376.501 0.494 20 30 GCEDLO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001109171628 1202000025 /nfs/dbraw/zinc/00/00/25/1202000025.db2.gz XRRUIHMYXBIQJT-YVSFHVDLSA-N 1 2 376.501 0.494 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001109171053 1202000066 /nfs/dbraw/zinc/00/00/66/1202000066.db2.gz CCQSJJGCVTVIDI-RDBSUJKOSA-N 1 2 379.411 0.719 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cn(C)nc1C(F)F ZINC001109171053 1202000070 /nfs/dbraw/zinc/00/00/70/1202000070.db2.gz CCQSJJGCVTVIDI-RDBSUJKOSA-N 1 2 379.411 0.719 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1OCC[C@H]1C(C)C)C2 ZINC001109302142 1202017628 /nfs/dbraw/zinc/01/76/28/1202017628.db2.gz XDSFPHCTWNXYFN-IMPIEMTGSA-N 1 2 392.500 0.781 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1OCC[C@H]1C(C)C)C2 ZINC001109302142 1202017632 /nfs/dbraw/zinc/01/76/32/1202017632.db2.gz XDSFPHCTWNXYFN-IMPIEMTGSA-N 1 2 392.500 0.781 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C(=O)CC)C2 ZINC001109316021 1202019533 /nfs/dbraw/zinc/01/95/33/1202019533.db2.gz PLLSVRNCCFPDEJ-LTIDMASMSA-N 1 2 376.501 0.801 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C(=O)CC)C2 ZINC001109316021 1202019534 /nfs/dbraw/zinc/01/95/34/1202019534.db2.gz PLLSVRNCCFPDEJ-LTIDMASMSA-N 1 2 376.501 0.801 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1cccc3OC)C2 ZINC001109348049 1202023960 /nfs/dbraw/zinc/02/39/60/1202023960.db2.gz REBJXCFVTVZMNB-SNPRPXQTSA-N 1 2 381.436 0.656 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1cccc3OC)C2 ZINC001109348049 1202023962 /nfs/dbraw/zinc/02/39/62/1202023962.db2.gz REBJXCFVTVZMNB-SNPRPXQTSA-N 1 2 381.436 0.656 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000768742236 1202032033 /nfs/dbraw/zinc/03/20/33/1202032033.db2.gz AVYFSWXHBOXVSP-IBGZPJMESA-N 1 2 393.509 0.830 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cccnc3)c1)C2 ZINC001109396624 1202037119 /nfs/dbraw/zinc/03/71/19/1202037119.db2.gz IODZFKNRJCTNAV-NJAFHUGGSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cccnc3)c1)C2 ZINC001109396624 1202037122 /nfs/dbraw/zinc/03/71/22/1202037122.db2.gz IODZFKNRJCTNAV-NJAFHUGGSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncn1-c1ccccc1)C2 ZINC001109403470 1202038841 /nfs/dbraw/zinc/03/88/41/1202038841.db2.gz IFQRGUNBRLDUJN-SQNIBIBYSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncn1-c1ccccc1)C2 ZINC001109403470 1202038842 /nfs/dbraw/zinc/03/88/42/1202038842.db2.gz IFQRGUNBRLDUJN-SQNIBIBYSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3nccnc3c1)C2 ZINC001109411687 1202040231 /nfs/dbraw/zinc/04/02/31/1202040231.db2.gz HSKCLEQGCROLJK-GUSZCTEKSA-N 1 2 378.436 0.498 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3nccnc3c1)C2 ZINC001109411687 1202040233 /nfs/dbraw/zinc/04/02/33/1202040233.db2.gz HSKCLEQGCROLJK-GUSZCTEKSA-N 1 2 378.436 0.498 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC(F)F)n1)C2 ZINC001109431251 1202047946 /nfs/dbraw/zinc/04/79/46/1202047946.db2.gz FLJSFCGEVQQGQI-NEBZKDRISA-N 1 2 379.411 0.621 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC(F)F)n1)C2 ZINC001109431251 1202047950 /nfs/dbraw/zinc/04/79/50/1202047950.db2.gz FLJSFCGEVQQGQI-NEBZKDRISA-N 1 2 379.411 0.621 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)CCCO3)C2 ZINC001109431483 1202048149 /nfs/dbraw/zinc/04/81/49/1202048149.db2.gz QVRREYHDPIUFML-SQNIBIBYSA-N 1 2 382.464 0.915 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)CCCO3)C2 ZINC001109431483 1202048152 /nfs/dbraw/zinc/04/81/52/1202048152.db2.gz QVRREYHDPIUFML-SQNIBIBYSA-N 1 2 382.464 0.915 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(OC)cc(OC)n1)C2 ZINC001109449358 1202052188 /nfs/dbraw/zinc/05/21/88/1202052188.db2.gz QKFQEQGPCPHHGG-AGIUHOORSA-N 1 2 375.429 0.131 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(OC)cc(OC)n1)C2 ZINC001109449358 1202052190 /nfs/dbraw/zinc/05/21/90/1202052190.db2.gz QKFQEQGPCPHHGG-AGIUHOORSA-N 1 2 375.429 0.131 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)ncn1)C2 ZINC001109444951 1202052344 /nfs/dbraw/zinc/05/23/44/1202052344.db2.gz JFYHZKDJODKAAX-OXIQGZBJSA-N 1 2 377.395 0.887 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)ncn1)C2 ZINC001109444951 1202052346 /nfs/dbraw/zinc/05/23/46/1202052346.db2.gz JFYHZKDJODKAAX-OXIQGZBJSA-N 1 2 377.395 0.887 20 30 GCEDLO C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109472983 1202059211 /nfs/dbraw/zinc/05/92/11/1202059211.db2.gz PUTPUIAXQJTLQF-LGWLGOQQSA-N 1 2 375.473 0.762 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3c1CC(=O)N3)C2 ZINC001109486137 1202062223 /nfs/dbraw/zinc/06/22/23/1202062223.db2.gz IQARFXFUAYVQJM-VZAMPYOESA-N 1 2 381.436 0.049 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3c1CC(=O)N3)C2 ZINC001109486137 1202062224 /nfs/dbraw/zinc/06/22/24/1202062224.db2.gz IQARFXFUAYVQJM-VZAMPYOESA-N 1 2 381.436 0.049 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nn(C)c1Cl)C2 ZINC001109487495 1202062534 /nfs/dbraw/zinc/06/25/34/1202062534.db2.gz VCFDBMRKHBNMJA-SNPRPXQTSA-N 1 2 377.876 0.395 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nn(C)c1Cl)C2 ZINC001109487495 1202062537 /nfs/dbraw/zinc/06/25/37/1202062537.db2.gz VCFDBMRKHBNMJA-SNPRPXQTSA-N 1 2 377.876 0.395 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(N3CCCC3)ccn1)C2 ZINC001109495969 1202065745 /nfs/dbraw/zinc/06/57/45/1202065745.db2.gz UPELGDLGNOVWPB-AOIWGVFYSA-N 1 2 381.480 0.766 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(N3CCCC3)ccn1)C2 ZINC001109495969 1202065749 /nfs/dbraw/zinc/06/57/49/1202065749.db2.gz UPELGDLGNOVWPB-AOIWGVFYSA-N 1 2 381.480 0.766 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncc3cc(C)cnc31)C2 ZINC001109528948 1202072591 /nfs/dbraw/zinc/07/25/91/1202072591.db2.gz SDXILRCERPEFBQ-IKGGRYGDSA-N 1 2 382.468 0.763 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncc3cc(C)cnc31)C2 ZINC001109528948 1202072594 /nfs/dbraw/zinc/07/25/94/1202072594.db2.gz SDXILRCERPEFBQ-IKGGRYGDSA-N 1 2 382.468 0.763 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3[nH]c(CC)nc31)C2 ZINC001109545923 1202077846 /nfs/dbraw/zinc/07/78/46/1202077846.db2.gz REHXANGYJLVDOC-SNPRPXQTSA-N 1 2 380.452 0.605 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3[nH]c(CC)nc31)C2 ZINC001109545923 1202077848 /nfs/dbraw/zinc/07/78/48/1202077848.db2.gz REHXANGYJLVDOC-SNPRPXQTSA-N 1 2 380.452 0.605 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CCOCC1)C2 ZINC001109568032 1202082159 /nfs/dbraw/zinc/08/21/59/1202082159.db2.gz GHYUFSQQXJNSEO-DFEOGRTESA-N 1 2 377.485 0.289 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CCOCC1)C2 ZINC001109568032 1202082161 /nfs/dbraw/zinc/08/21/61/1202082161.db2.gz GHYUFSQQXJNSEO-DFEOGRTESA-N 1 2 377.485 0.289 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csnn1)C2 ZINC001109571078 1202082536 /nfs/dbraw/zinc/08/25/36/1202082536.db2.gz LKMZYGQXIVJFKL-NOHGZBONSA-N 1 2 378.458 0.274 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csnn1)C2 ZINC001109571078 1202082538 /nfs/dbraw/zinc/08/25/38/1202082538.db2.gz LKMZYGQXIVJFKL-NOHGZBONSA-N 1 2 378.458 0.274 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C1CCOCC1)C2 ZINC001109570149 1202082574 /nfs/dbraw/zinc/08/25/74/1202082574.db2.gz XKIBPXYICHREOM-VUHPKUFZSA-N 1 2 379.501 0.842 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C1CCOCC1)C2 ZINC001109570149 1202082575 /nfs/dbraw/zinc/08/25/75/1202082575.db2.gz XKIBPXYICHREOM-VUHPKUFZSA-N 1 2 379.501 0.842 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 ZINC001109582180 1202084449 /nfs/dbraw/zinc/08/44/49/1202084449.db2.gz KGTCVNMXPAGCPN-IKGGRYGDSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 ZINC001109582180 1202084454 /nfs/dbraw/zinc/08/44/54/1202084454.db2.gz KGTCVNMXPAGCPN-IKGGRYGDSA-N 1 2 380.452 0.905 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C2 ZINC001109582418 1202084572 /nfs/dbraw/zinc/08/45/72/1202084572.db2.gz VCJIMRJPOKFAKV-PVAVHDDUSA-N 1 2 380.452 0.295 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C2 ZINC001109582418 1202084573 /nfs/dbraw/zinc/08/45/73/1202084573.db2.gz VCJIMRJPOKFAKV-PVAVHDDUSA-N 1 2 380.452 0.295 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(=O)(=O)CC)cc1 ZINC001109587652 1202086249 /nfs/dbraw/zinc/08/62/49/1202086249.db2.gz SQFAEESEQWYFBI-SQNIBIBYSA-N 1 2 375.494 0.942 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(=O)(=O)CC)cc1 ZINC001109587652 1202086251 /nfs/dbraw/zinc/08/62/51/1202086251.db2.gz SQFAEESEQWYFBI-SQNIBIBYSA-N 1 2 375.494 0.942 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)ncn3C)C2 ZINC001109590197 1202087014 /nfs/dbraw/zinc/08/70/14/1202087014.db2.gz WUZJYMRGZDOVGJ-UTXMOHQDSA-N 1 2 380.452 0.441 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)ncn3C)C2 ZINC001109590197 1202087017 /nfs/dbraw/zinc/08/70/17/1202087017.db2.gz WUZJYMRGZDOVGJ-UTXMOHQDSA-N 1 2 380.452 0.441 20 30 GCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)N[C@H](C)COC ZINC001109603005 1202088135 /nfs/dbraw/zinc/08/81/35/1202088135.db2.gz DQQDSMUJRZJWMT-KBXIAJHMSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)N[C@H](C)COC ZINC001109603005 1202088137 /nfs/dbraw/zinc/08/81/37/1202088137.db2.gz DQQDSMUJRZJWMT-KBXIAJHMSA-N 1 2 380.489 0.781 20 30 GCEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001109624885 1202091911 /nfs/dbraw/zinc/09/19/11/1202091911.db2.gz HECTVFRHWGGJIX-YVSFHVDLSA-N 1 2 376.501 0.494 20 30 GCEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001109624885 1202091918 /nfs/dbraw/zinc/09/19/18/1202091918.db2.gz HECTVFRHWGGJIX-YVSFHVDLSA-N 1 2 376.501 0.494 20 30 GCEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(=O)N(C)C ZINC001109624884 1202092128 /nfs/dbraw/zinc/09/21/28/1202092128.db2.gz HECTVFRHWGGJIX-NCOADZHNSA-N 1 2 376.501 0.494 20 30 GCEDLO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(=O)N(C)C ZINC001109624884 1202092129 /nfs/dbraw/zinc/09/21/29/1202092129.db2.gz HECTVFRHWGGJIX-NCOADZHNSA-N 1 2 376.501 0.494 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)OCC)C2 ZINC001109626195 1202092722 /nfs/dbraw/zinc/09/27/22/1202092722.db2.gz PBZQMLNFKPOEBV-UGUYLWEFSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)OCC)C2 ZINC001109626195 1202092725 /nfs/dbraw/zinc/09/27/25/1202092725.db2.gz PBZQMLNFKPOEBV-UGUYLWEFSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)OCC)C2 ZINC001109626194 1202092928 /nfs/dbraw/zinc/09/29/28/1202092928.db2.gz PBZQMLNFKPOEBV-FXUDXRNXSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)OCC)C2 ZINC001109626194 1202092932 /nfs/dbraw/zinc/09/29/32/1202092932.db2.gz PBZQMLNFKPOEBV-FXUDXRNXSA-N 1 2 380.489 0.925 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3ccc(C)cc31)C2 ZINC001109638816 1202094691 /nfs/dbraw/zinc/09/46/91/1202094691.db2.gz IKJMOEZVETVSHI-NJAFHUGGSA-N 1 2 379.464 0.816 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3ccc(C)cc31)C2 ZINC001109638816 1202094694 /nfs/dbraw/zinc/09/46/94/1202094694.db2.gz IKJMOEZVETVSHI-NJAFHUGGSA-N 1 2 379.464 0.816 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnoc1)C2 ZINC001109636607 1202096315 /nfs/dbraw/zinc/09/63/15/1202096315.db2.gz MINVICKNTJXYPB-ATGSNQNLSA-N 1 2 375.429 0.339 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnoc1)C2 ZINC001109636607 1202096317 /nfs/dbraw/zinc/09/63/17/1202096317.db2.gz MINVICKNTJXYPB-ATGSNQNLSA-N 1 2 375.429 0.339 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)C2 ZINC001109645065 1202096755 /nfs/dbraw/zinc/09/67/55/1202096755.db2.gz OMFIQWYELZCONG-FIXIBIHLSA-N 1 2 382.424 0.137 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)C2 ZINC001109645065 1202096759 /nfs/dbraw/zinc/09/67/59/1202096759.db2.gz OMFIQWYELZCONG-FIXIBIHLSA-N 1 2 382.424 0.137 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3ccncc3)on1)C2 ZINC001109652336 1202098450 /nfs/dbraw/zinc/09/84/50/1202098450.db2.gz OINLPFZLZLKYAO-VYDXJSESSA-N 1 2 379.420 0.821 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3ccncc3)on1)C2 ZINC001109652336 1202098451 /nfs/dbraw/zinc/09/84/51/1202098451.db2.gz OINLPFZLZLKYAO-VYDXJSESSA-N 1 2 379.420 0.821 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCC(=O)N1)C2 ZINC001109683484 1202103940 /nfs/dbraw/zinc/10/39/40/1202103940.db2.gz NICFBZGESORQND-QZNHQWIBSA-N 1 2 375.473 0.139 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCC(=O)N1)C2 ZINC001109683484 1202103941 /nfs/dbraw/zinc/10/39/41/1202103941.db2.gz NICFBZGESORQND-QZNHQWIBSA-N 1 2 375.473 0.139 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@H]2CCCO2)c1 ZINC001109696478 1202104711 /nfs/dbraw/zinc/10/47/11/1202104711.db2.gz DCZTXBAZXZWBBX-YRXWBPOGSA-N 1 2 382.464 0.693 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@H]2CCCO2)c1 ZINC001109696478 1202104712 /nfs/dbraw/zinc/10/47/12/1202104712.db2.gz DCZTXBAZXZWBBX-YRXWBPOGSA-N 1 2 382.464 0.693 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cccn3)ccn1)C2 ZINC001109709734 1202106918 /nfs/dbraw/zinc/10/69/18/1202106918.db2.gz VINYZSMWBUPHHM-HFTRVMKXSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cccn3)ccn1)C2 ZINC001109709734 1202106924 /nfs/dbraw/zinc/10/69/24/1202106924.db2.gz VINYZSMWBUPHHM-HFTRVMKXSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CCC(N)=O)cc1)C2 ZINC001109700509 1202107338 /nfs/dbraw/zinc/10/73/38/1202107338.db2.gz PEOHZAMISPZEFC-SQNIBIBYSA-N 1 2 382.464 0.189 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CCC(N)=O)cc1)C2 ZINC001109700509 1202107339 /nfs/dbraw/zinc/10/73/39/1202107339.db2.gz PEOHZAMISPZEFC-SQNIBIBYSA-N 1 2 382.464 0.189 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(-n3cccn3)c1)C2 ZINC001109714757 1202107736 /nfs/dbraw/zinc/10/77/36/1202107736.db2.gz VIWLWSPTHAHCCQ-IKGGRYGDSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(-n3cccn3)c1)C2 ZINC001109714757 1202107738 /nfs/dbraw/zinc/10/77/38/1202107738.db2.gz VIWLWSPTHAHCCQ-IKGGRYGDSA-N 1 2 380.452 0.905 20 30 GCEDLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109762127 1202119527 /nfs/dbraw/zinc/11/95/27/1202119527.db2.gz JBZVAAHAZOWIMJ-VZEFYGNVSA-N 1 2 376.482 0.717 20 30 GCEDLO C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109762127 1202119528 /nfs/dbraw/zinc/11/95/28/1202119528.db2.gz JBZVAAHAZOWIMJ-VZEFYGNVSA-N 1 2 376.482 0.717 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCCOC)C2 ZINC001109790890 1202124684 /nfs/dbraw/zinc/12/46/84/1202124684.db2.gz IOLQUFBVVSGKJY-YVSFHVDLSA-N 1 2 380.489 0.522 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCCOC)C2 ZINC001109790890 1202124686 /nfs/dbraw/zinc/12/46/86/1202124686.db2.gz IOLQUFBVVSGKJY-YVSFHVDLSA-N 1 2 380.489 0.522 20 30 GCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001109804194 1202127513 /nfs/dbraw/zinc/12/75/13/1202127513.db2.gz GUSGHFWDOOXLGB-XDNAFOTISA-N 1 2 376.501 0.705 20 30 GCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001109804194 1202127514 /nfs/dbraw/zinc/12/75/14/1202127514.db2.gz GUSGHFWDOOXLGB-XDNAFOTISA-N 1 2 376.501 0.705 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)c3ccccc13)C2 ZINC001109803060 1202127575 /nfs/dbraw/zinc/12/75/75/1202127575.db2.gz WBRRBXXZDYSWDU-DQYPLSBCSA-N 1 2 379.420 0.915 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)c3ccccc13)C2 ZINC001109803060 1202127577 /nfs/dbraw/zinc/12/75/77/1202127577.db2.gz WBRRBXXZDYSWDU-DQYPLSBCSA-N 1 2 379.420 0.915 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC ZINC001109819452 1202128112 /nfs/dbraw/zinc/12/81/12/1202128112.db2.gz LTERRTAZAJNGNZ-IMPIEMTGSA-N 1 2 392.500 0.925 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC ZINC001109819452 1202128113 /nfs/dbraw/zinc/12/81/13/1202128113.db2.gz LTERRTAZAJNGNZ-IMPIEMTGSA-N 1 2 392.500 0.925 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCC ZINC001109826629 1202130069 /nfs/dbraw/zinc/13/00/69/1202130069.db2.gz QVAWSDLTPCBUFR-IMPIEMTGSA-N 1 2 392.500 0.925 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCC ZINC001109826629 1202130077 /nfs/dbraw/zinc/13/00/77/1202130077.db2.gz QVAWSDLTPCBUFR-IMPIEMTGSA-N 1 2 392.500 0.925 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001109826509 1202130211 /nfs/dbraw/zinc/13/02/11/1202130211.db2.gz LLXOXVHJVQDKIN-QSUVVDIXSA-N 1 2 379.501 0.842 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001109826509 1202130212 /nfs/dbraw/zinc/13/02/12/1202130212.db2.gz LLXOXVHJVQDKIN-QSUVVDIXSA-N 1 2 379.501 0.842 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC000771322243 1202135646 /nfs/dbraw/zinc/13/56/46/1202135646.db2.gz SOCPNUWGQCPWGQ-OAHLLOKOSA-N 1 2 380.489 0.573 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)CC1 ZINC000771322243 1202135653 /nfs/dbraw/zinc/13/56/53/1202135653.db2.gz SOCPNUWGQCPWGQ-OAHLLOKOSA-N 1 2 380.489 0.573 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1Br)C2 ZINC001109856336 1202137527 /nfs/dbraw/zinc/13/75/27/1202137527.db2.gz MBTNYHYXGZKCNS-USWWRNFRSA-N 1 2 382.262 0.810 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1Br)C2 ZINC001109856336 1202137528 /nfs/dbraw/zinc/13/75/28/1202137528.db2.gz MBTNYHYXGZKCNS-USWWRNFRSA-N 1 2 382.262 0.810 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NCC=C)cn1 ZINC001109999510 1202171078 /nfs/dbraw/zinc/17/10/78/1202171078.db2.gz HWUKQPFZEFHPDI-IKGGRYGDSA-N 1 2 381.436 0.410 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NCC=C)cn1 ZINC001109999510 1202171079 /nfs/dbraw/zinc/17/10/79/1202171079.db2.gz HWUKQPFZEFHPDI-IKGGRYGDSA-N 1 2 381.436 0.410 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)c3ccccc31)C2 ZINC001110014836 1202175289 /nfs/dbraw/zinc/17/52/89/1202175289.db2.gz KXPASHWOGZVASF-UGFHNGPFSA-N 1 2 380.408 0.310 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)c3ccccc31)C2 ZINC001110014836 1202175292 /nfs/dbraw/zinc/17/52/92/1202175292.db2.gz KXPASHWOGZVASF-UGFHNGPFSA-N 1 2 380.408 0.310 20 30 GCEDLO 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CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ncccc1C#N ZINC000810200555 1205634961 /nfs/dbraw/zinc/63/49/61/1205634961.db2.gz HBADUGDPMDZAMQ-MRXNPFEDSA-N 1 2 383.456 0.978 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)CC1 ZINC000747816870 1205668473 /nfs/dbraw/zinc/66/84/73/1205668473.db2.gz ZHPQXILKTPQDBU-UHFFFAOYSA-N 1 2 392.463 0.851 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000747823138 1205669009 /nfs/dbraw/zinc/66/90/09/1205669009.db2.gz LYAXGGBDDJSATK-UHFFFAOYSA-N 1 2 388.493 0.736 20 30 GCEDLO C#CC[NH+]1CCN(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001173705179 1205726882 /nfs/dbraw/zinc/72/68/82/1205726882.db2.gz RXNVBJHYVUJOSE-UHFFFAOYSA-N 1 2 392.481 0.999 20 30 GCEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001176524858 1205748894 /nfs/dbraw/zinc/74/88/94/1205748894.db2.gz VTMBCCSGVLVRDC-LNXHZJMOSA-N 1 2 378.517 0.685 20 30 GCEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001176524858 1205748896 /nfs/dbraw/zinc/74/88/96/1205748896.db2.gz VTMBCCSGVLVRDC-LNXHZJMOSA-N 1 2 378.517 0.685 20 30 GCEDLO CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110215327 1205779974 /nfs/dbraw/zinc/77/99/74/1205779974.db2.gz ZITSIRSAYVJAKD-NCOADZHNSA-N 1 2 377.489 0.289 20 30 GCEDLO CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110215327 1205779976 /nfs/dbraw/zinc/77/99/76/1205779976.db2.gz ZITSIRSAYVJAKD-NCOADZHNSA-N 1 2 377.489 0.289 20 30 GCEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000773784225 1205796597 /nfs/dbraw/zinc/79/65/97/1205796597.db2.gz AZXCIGVMYCIULO-AEFFLSMTSA-N 1 2 398.463 0.310 20 30 GCEDLO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1N ZINC001178986741 1205798788 /nfs/dbraw/zinc/79/87/88/1205798788.db2.gz QESFAJPTHGQDQH-MRXNPFEDSA-N 1 2 393.451 0.523 20 30 GCEDLO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1N ZINC001178986741 1205798789 /nfs/dbraw/zinc/79/87/89/1205798789.db2.gz QESFAJPTHGQDQH-MRXNPFEDSA-N 1 2 393.451 0.523 20 30 GCEDLO C#C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CCCO1 ZINC000773799197 1205802000 /nfs/dbraw/zinc/80/20/00/1205802000.db2.gz RPKAPBFNTWDKTF-RTBURBONSA-N 1 2 384.480 0.670 20 30 GCEDLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C ZINC001180784088 1205831759 /nfs/dbraw/zinc/83/17/59/1205831759.db2.gz CGFMAHLMRANBTB-STQMWFEESA-N 1 2 379.417 0.807 20 30 GCEDLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C ZINC001180784088 1205831762 /nfs/dbraw/zinc/83/17/62/1205831762.db2.gz CGFMAHLMRANBTB-STQMWFEESA-N 1 2 379.417 0.807 20 30 GCEDLO CCOCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302856 1205872123 /nfs/dbraw/zinc/87/21/23/1205872123.db2.gz URZDRFPXVGTOSZ-FPCVCCKLSA-N 1 2 382.530 0.896 20 30 GCEDLO CCOCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302856 1205872124 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/nfs/dbraw/zinc/92/07/02/1205920702.db2.gz ASZVXDDHHZTEQF-QYZOEREBSA-N 1 2 385.464 0.301 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCCO1 ZINC000774855081 1205920703 /nfs/dbraw/zinc/92/07/03/1205920703.db2.gz ASZVXDDHHZTEQF-QYZOEREBSA-N 1 2 385.464 0.301 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCCO1 ZINC000774855077 1205920831 /nfs/dbraw/zinc/92/08/31/1205920831.db2.gz ASZVXDDHHZTEQF-GBESFXJTSA-N 1 2 385.464 0.301 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCCO1 ZINC000774855077 1205920832 /nfs/dbraw/zinc/92/08/32/1205920832.db2.gz ASZVXDDHHZTEQF-GBESFXJTSA-N 1 2 385.464 0.301 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NCC(C)C ZINC001110384869 1205949805 /nfs/dbraw/zinc/94/98/05/1205949805.db2.gz BGJHBAHCAXHGNA-FPCVCCKLSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NCC(C)C ZINC001110384869 1205949808 /nfs/dbraw/zinc/94/98/08/1205949808.db2.gz BGJHBAHCAXHGNA-FPCVCCKLSA-N 1 2 380.489 0.781 20 30 GCEDLO N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001187516039 1205963817 /nfs/dbraw/zinc/96/38/17/1205963817.db2.gz NWCNSKFTDCEJOJ-CYBMUJFWSA-N 1 2 380.426 0.809 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nonc1C)C2 ZINC001111505312 1205992450 /nfs/dbraw/zinc/99/24/50/1205992450.db2.gz NVJFEKRPNLRWMO-LOWDOPEQSA-N 1 2 376.417 0.113 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nonc1C)C2 ZINC001111505312 1205992452 /nfs/dbraw/zinc/99/24/52/1205992452.db2.gz NVJFEKRPNLRWMO-LOWDOPEQSA-N 1 2 376.417 0.113 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C1=O ZINC001164635388 719272539 /nfs/dbraw/zinc/27/25/39/719272539.db2.gz PVOSADUJAUYQTI-UHFFFAOYSA-N 1 2 388.428 0.621 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C1=O ZINC001164635388 719272543 /nfs/dbraw/zinc/27/25/43/719272543.db2.gz PVOSADUJAUYQTI-UHFFFAOYSA-N 1 2 388.428 0.621 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(OC)c(C#N)cc3F)CC2)C1=O ZINC001164641181 719279917 /nfs/dbraw/zinc/27/99/17/719279917.db2.gz SYUKDTGQQKOASQ-UHFFFAOYSA-N 1 2 391.447 0.860 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(OC)c(C#N)cc3F)CC2)C1=O ZINC001164641181 719279918 /nfs/dbraw/zinc/27/99/18/719279918.db2.gz SYUKDTGQQKOASQ-UHFFFAOYSA-N 1 2 391.447 0.860 20 30 GCEDLO Cc1cc(C#N)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164707982 719931302 /nfs/dbraw/zinc/93/13/02/719931302.db2.gz AAJXJGBMTSDGNR-UHFFFAOYSA-N 1 2 379.468 0.946 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3C#N)C2)C1 ZINC001164720128 720225758 /nfs/dbraw/zinc/22/57/58/720225758.db2.gz WHECDYAYLQAXEY-KRWDZBQOSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3C#N)C2)C1 ZINC001164720128 720225763 /nfs/dbraw/zinc/22/57/63/720225763.db2.gz WHECDYAYLQAXEY-KRWDZBQOSA-N 1 2 378.864 0.666 20 30 GCEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc(C#N)cn1)C2 ZINC001164821881 720437199 /nfs/dbraw/zinc/43/71/99/720437199.db2.gz ADBWVFGMCJQZIS-HNNXBMFYSA-N 1 2 383.456 0.534 20 30 GCEDLO N#Cc1ncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C#N ZINC001164914653 721796613 /nfs/dbraw/zinc/79/66/13/721796613.db2.gz OZGAVUZSGDBDGX-HXUWFJFHSA-N 1 2 391.435 0.723 20 30 GCEDLO N#Cc1ncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C#N ZINC001164914653 721796616 /nfs/dbraw/zinc/79/66/16/721796616.db2.gz OZGAVUZSGDBDGX-HXUWFJFHSA-N 1 2 391.435 0.723 20 30 GCEDLO C#CCCCCC(=O)NCC[NH+]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573282358 946691459 /nfs/dbraw/zinc/69/14/59/946691459.db2.gz IWBHXKCOFRLTNQ-UHFFFAOYSA-N 1 2 383.460 0.089 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001573285099 946767982 /nfs/dbraw/zinc/76/79/82/946767982.db2.gz CVZIYDWFRQQZHE-KBPBESRZSA-N 1 2 381.444 0.157 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001573285099 946767986 /nfs/dbraw/zinc/76/79/86/946767986.db2.gz CVZIYDWFRQQZHE-KBPBESRZSA-N 1 2 381.444 0.157 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1C ZINC001573285798 946787179 /nfs/dbraw/zinc/78/71/79/946787179.db2.gz NYZBFVAQBDQIFH-BMFZPTHFSA-N 1 2 380.456 0.300 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1C ZINC001573285798 946787183 /nfs/dbraw/zinc/78/71/83/946787183.db2.gz NYZBFVAQBDQIFH-BMFZPTHFSA-N 1 2 380.456 0.300 20 30 GCEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573286977 946823944 /nfs/dbraw/zinc/82/39/44/946823944.db2.gz JPUXFOJIUAPTSV-HOCLYGCPSA-N 1 2 384.440 0.222 20 30 GCEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573286977 946823952 /nfs/dbraw/zinc/82/39/52/946823952.db2.gz JPUXFOJIUAPTSV-HOCLYGCPSA-N 1 2 384.440 0.222 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccc(-c3nn[nH]n3)s1)CCO2 ZINC001573567275 947041466 /nfs/dbraw/zinc/04/14/66/947041466.db2.gz KZGQPCZRZLVRTO-YVEFUNNKSA-N 1 2 387.469 0.891 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccc(-c3nn[nH]n3)s1)CCO2 ZINC001573567275 947041475 /nfs/dbraw/zinc/04/14/75/947041475.db2.gz KZGQPCZRZLVRTO-YVEFUNNKSA-N 1 2 387.469 0.891 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573573108 947119241 /nfs/dbraw/zinc/11/92/41/947119241.db2.gz MPHVXUBQRTVTIT-XIKOKIGWSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573573108 947119245 /nfs/dbraw/zinc/11/92/45/947119245.db2.gz MPHVXUBQRTVTIT-XIKOKIGWSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@H](C#N)C(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573584503 947225130 /nfs/dbraw/zinc/22/51/30/947225130.db2.gz WYVDZCQLPSUAMU-CYBMUJFWSA-N 1 2 386.435 0.399 20 30 GCEDLO C=C[C@@H](CC)CC(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001573315943 947260687 /nfs/dbraw/zinc/26/06/87/947260687.db2.gz QZKFZJRHOMMVJF-AWEZNQCLSA-N 1 2 385.476 0.497 20 30 GCEDLO C=C[C@H](CC)CC(=O)NCC[NH+]1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001573315944 947263875 /nfs/dbraw/zinc/26/38/75/947263875.db2.gz QZKFZJRHOMMVJF-CQSZACIVSA-N 1 2 385.476 0.497 20 30 GCEDLO N#C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCO1 ZINC000409557342 530229987 /nfs/dbraw/zinc/22/99/87/530229987.db2.gz UIZTVWODESQVRA-MRXNPFEDSA-N 1 2 384.889 0.927 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)CCOCC(F)(F)F)nc1 ZINC000290360994 530363148 /nfs/dbraw/zinc/36/31/48/530363148.db2.gz QTAFIAABQMBKDM-UHFFFAOYSA-N 1 2 381.376 0.600 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)CCOCC(F)(F)F)nc1 ZINC000290360994 530363151 /nfs/dbraw/zinc/36/31/51/530363151.db2.gz QTAFIAABQMBKDM-UHFFFAOYSA-N 1 2 381.376 0.600 20 30 GCEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CCN(S(C)(=O)=O)CC1 ZINC000290272653 530351826 /nfs/dbraw/zinc/35/18/26/530351826.db2.gz LOSCTSAKAHKEHG-UHFFFAOYSA-N 1 2 386.499 0.083 20 30 GCEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CCN(S(C)(=O)=O)CC1 ZINC000290272653 530351830 /nfs/dbraw/zinc/35/18/30/530351830.db2.gz LOSCTSAKAHKEHG-UHFFFAOYSA-N 1 2 386.499 0.083 20 30 GCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330513951 530520906 /nfs/dbraw/zinc/52/09/06/530520906.db2.gz KVHNXHVVJMJWSH-AWEZNQCLSA-N 1 2 376.523 0.272 20 30 GCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330513951 530520907 /nfs/dbraw/zinc/52/09/07/530520907.db2.gz KVHNXHVVJMJWSH-AWEZNQCLSA-N 1 2 376.523 0.272 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)s1 ZINC000573459329 530524128 /nfs/dbraw/zinc/52/41/28/530524128.db2.gz AUFNIKSESMXUBL-UHFFFAOYSA-N 1 2 378.483 0.883 20 30 GCEDLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000330711113 530524175 /nfs/dbraw/zinc/52/41/75/530524175.db2.gz PQJALVAOUBXHJK-SECBINFHSA-N 1 2 388.412 0.323 20 30 GCEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CCO1 ZINC000330738559 530524843 /nfs/dbraw/zinc/52/48/43/530524843.db2.gz ZHPIDILUDPNSKI-ZIAGYGMSSA-N 1 2 376.523 0.461 20 30 GCEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CCO1 ZINC000330738559 530524845 /nfs/dbraw/zinc/52/48/45/530524845.db2.gz ZHPIDILUDPNSKI-ZIAGYGMSSA-N 1 2 376.523 0.461 20 30 GCEDLO NS(=O)(=O)CC[NH+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000132085289 530555271 /nfs/dbraw/zinc/55/52/71/530555271.db2.gz OSZQCTSJHCYQHZ-UHFFFAOYSA-N 1 2 375.416 0.963 20 30 GCEDLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451004665 530571939 /nfs/dbraw/zinc/57/19/39/530571939.db2.gz XEGCMCYXEYFRDB-OAHLLOKOSA-N 1 2 391.559 0.841 20 30 GCEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCNS(=O)(=O)c1sc(=O)[nH]c1C ZINC000329895544 530622767 /nfs/dbraw/zinc/62/27/67/530622767.db2.gz KMQUYEGEOLSFJT-SNVBAGLBSA-N 1 2 378.476 0.113 20 30 GCEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCNS(=O)(=O)c1sc(=O)[nH]c1C ZINC000329895544 530622770 /nfs/dbraw/zinc/62/27/70/530622770.db2.gz KMQUYEGEOLSFJT-SNVBAGLBSA-N 1 2 378.476 0.113 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000349450133 530636132 /nfs/dbraw/zinc/63/61/32/530636132.db2.gz LMVLONKGNIFWEM-CQSZACIVSA-N 1 2 386.499 0.632 20 30 GCEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N ZINC000349453882 530637076 /nfs/dbraw/zinc/63/70/76/530637076.db2.gz PCJVWKQKYBKNIM-STQMWFEESA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N ZINC000349453882 530637077 /nfs/dbraw/zinc/63/70/77/530637077.db2.gz PCJVWKQKYBKNIM-STQMWFEESA-N 1 2 386.499 0.202 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000349466887 530642726 /nfs/dbraw/zinc/64/27/26/530642726.db2.gz RGSLRIUKRPDAGC-ILXRZTDVSA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000349466887 530642727 /nfs/dbraw/zinc/64/27/27/530642727.db2.gz RGSLRIUKRPDAGC-ILXRZTDVSA-N 1 2 394.563 0.198 20 30 GCEDLO C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000349511607 530666784 /nfs/dbraw/zinc/66/67/84/530666784.db2.gz SNRUTYNTCJWPER-AWEZNQCLSA-N 1 2 392.547 0.050 20 30 GCEDLO N#C[C@H]1CC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000578787318 530735652 /nfs/dbraw/zinc/73/56/52/530735652.db2.gz KYYYOOBOZUGHLG-NWDGAFQWSA-N 1 2 375.476 0.543 20 30 GCEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000580843907 530751391 /nfs/dbraw/zinc/75/13/91/530751391.db2.gz IRYOOCBMRKTOBO-QWHCGFSZSA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000580843907 530751394 /nfs/dbraw/zinc/75/13/94/530751394.db2.gz IRYOOCBMRKTOBO-QWHCGFSZSA-N 1 2 386.499 0.202 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000603417538 530828699 /nfs/dbraw/zinc/82/86/99/530828699.db2.gz IMCDIKXRORZVMD-AWEZNQCLSA-N 1 2 384.527 0.695 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)s1 ZINC000603417538 530828701 /nfs/dbraw/zinc/82/87/01/530828701.db2.gz IMCDIKXRORZVMD-AWEZNQCLSA-N 1 2 384.527 0.695 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000603417538 530828702 /nfs/dbraw/zinc/82/87/02/530828702.db2.gz IMCDIKXRORZVMD-AWEZNQCLSA-N 1 2 384.527 0.695 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000301155686 530815205 /nfs/dbraw/zinc/81/52/05/530815205.db2.gz AEDVMXZALGWGJO-UHFFFAOYSA-N 1 2 383.905 0.826 20 30 GCEDLO C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000349604693 530910125 /nfs/dbraw/zinc/91/01/25/530910125.db2.gz TXUZJQUSHKYQTA-SOUVJXGZSA-N 1 2 394.563 0.294 20 30 GCEDLO C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000349604693 530910126 /nfs/dbraw/zinc/91/01/26/530910126.db2.gz TXUZJQUSHKYQTA-SOUVJXGZSA-N 1 2 394.563 0.294 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000349604692 530910217 /nfs/dbraw/zinc/91/02/17/530910217.db2.gz TXUZJQUSHKYQTA-KFWWJZLASA-N 1 2 394.563 0.294 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000349604692 530910218 /nfs/dbraw/zinc/91/02/18/530910218.db2.gz TXUZJQUSHKYQTA-KFWWJZLASA-N 1 2 394.563 0.294 20 30 GCEDLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H]1C ZINC000349513690 530886758 /nfs/dbraw/zinc/88/67/58/530886758.db2.gz XZSYZYDVHZWPGT-CQSZACIVSA-N 1 2 394.563 0.296 20 30 GCEDLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H]1C ZINC000349513690 530886760 /nfs/dbraw/zinc/88/67/60/530886760.db2.gz XZSYZYDVHZWPGT-CQSZACIVSA-N 1 2 394.563 0.296 20 30 GCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293607248 530933134 /nfs/dbraw/zinc/93/31/34/530933134.db2.gz GIXQSXHOMXMKFY-LLVKDONJSA-N 1 2 395.257 0.784 20 30 GCEDLO N#C[C@@]1(F)CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349617093 530912538 /nfs/dbraw/zinc/91/25/38/530912538.db2.gz MRNFWZPWVKMMTD-AWEZNQCLSA-N 1 2 390.462 0.293 20 30 GCEDLO N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)NCC[NH+]2CCC2)CC1 ZINC000580465258 531012919 /nfs/dbraw/zinc/01/29/19/531012919.db2.gz BNWORROWRNYIMS-UHFFFAOYSA-N 1 2 384.483 0.005 20 30 GCEDLO Cc1nc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cs1 ZINC000548097776 531109787 /nfs/dbraw/zinc/10/97/87/531109787.db2.gz WTTTWAOXLGIUNY-UHFFFAOYSA-N 1 2 385.515 0.520 20 30 GCEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735418295 598581364 /nfs/dbraw/zinc/58/13/64/598581364.db2.gz ACNDPHNKBNXUAE-ZDUSSCGKSA-N 1 2 390.469 0.870 20 30 GCEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735418295 598581366 /nfs/dbraw/zinc/58/13/66/598581366.db2.gz ACNDPHNKBNXUAE-ZDUSSCGKSA-N 1 2 390.469 0.870 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000735381792 598808478 /nfs/dbraw/zinc/80/84/78/598808478.db2.gz QZPOUADLRGSVIA-CMDGGOBGSA-N 1 2 393.451 0.164 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C=Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000735381792 598808479 /nfs/dbraw/zinc/80/84/79/598808479.db2.gz QZPOUADLRGSVIA-CMDGGOBGSA-N 1 2 393.451 0.164 20 30 GCEDLO NC(=[NH+]OCC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CCO2 ZINC000826388202 607812159 /nfs/dbraw/zinc/81/21/59/607812159.db2.gz MSROBOAWMGXJOF-UHFFFAOYSA-N 1 2 393.407 0.755 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000895923989 639034868 /nfs/dbraw/zinc/03/48/68/639034868.db2.gz YNTINMSWNAPFJO-UHFFFAOYSA-N 1 2 379.511 0.734 20 30 GCEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906937508 639343896 /nfs/dbraw/zinc/34/38/96/639343896.db2.gz KAPSIAWOVOHVMS-LBPRGKRZSA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906937508 639343906 /nfs/dbraw/zinc/34/39/06/639343906.db2.gz KAPSIAWOVOHVMS-LBPRGKRZSA-N 1 2 387.303 0.845 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000733148519 639830108 /nfs/dbraw/zinc/83/01/08/639830108.db2.gz BVVFDBRYAXTSFC-UHFFFAOYSA-N 1 2 396.289 0.319 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000733148519 639830113 /nfs/dbraw/zinc/83/01/13/639830113.db2.gz BVVFDBRYAXTSFC-UHFFFAOYSA-N 1 2 396.289 0.319 20 30 GCEDLO CC(=NNc1[nH+]ccn1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000790302293 641410700 /nfs/dbraw/zinc/41/07/00/641410700.db2.gz OPBURGFBEUZOFZ-UHFFFAOYSA-N 1 2 385.471 0.982 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000885508357 641807036 /nfs/dbraw/zinc/80/70/36/641807036.db2.gz GNAHYRHNYFIEAY-LBPRGKRZSA-N 1 2 398.286 0.868 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000885508357 641807042 /nfs/dbraw/zinc/80/70/42/641807042.db2.gz GNAHYRHNYFIEAY-LBPRGKRZSA-N 1 2 398.286 0.868 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)NC(C)(C)C)C1 ZINC000903650027 642198989 /nfs/dbraw/zinc/19/89/89/642198989.db2.gz JOLBKUKGLKSOLJ-CQSZACIVSA-N 1 2 379.548 0.111 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCS(=O)(=O)NC(C)(C)C)C1 ZINC000903650027 642198993 /nfs/dbraw/zinc/19/89/93/642198993.db2.gz JOLBKUKGLKSOLJ-CQSZACIVSA-N 1 2 379.548 0.111 20 30 GCEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000279193560 1192483280 /nfs/dbraw/zinc/48/32/80/1192483280.db2.gz UPRAUHXVJCDEFJ-QGZVFWFLSA-N 1 2 387.484 0.046 20 30 GCEDLO C=CCN1CC[C@@H](N(C)c2cc[nH+]c(N(C)[C@H]3CCN(CC=C)C3=O)n2)C1=O ZINC000893668771 1192510474 /nfs/dbraw/zinc/51/04/74/1192510474.db2.gz OXUPKGFWBJDBGA-CVEARBPZSA-N 1 2 384.484 0.923 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000279310511 1192515069 /nfs/dbraw/zinc/51/50/69/1192515069.db2.gz NKAPTBUTMBTYSB-OAHLLOKOSA-N 1 2 394.497 0.671 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000279347353 1192527584 /nfs/dbraw/zinc/52/75/84/1192527584.db2.gz ZSMDGGIETNPQGU-UHFFFAOYSA-N 1 2 389.452 0.236 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000279347353 1192527589 /nfs/dbraw/zinc/52/75/89/1192527589.db2.gz ZSMDGGIETNPQGU-UHFFFAOYSA-N 1 2 389.452 0.236 20 30 GCEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000275037572 1184469009 /nfs/dbraw/zinc/46/90/09/1184469009.db2.gz FIOMDYYLTFFPCQ-UHFFFAOYSA-N 1 2 383.470 0.772 20 30 GCEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000275037572 1184469012 /nfs/dbraw/zinc/46/90/12/1184469012.db2.gz FIOMDYYLTFFPCQ-UHFFFAOYSA-N 1 2 383.470 0.772 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154780996 1184470118 /nfs/dbraw/zinc/47/01/18/1184470118.db2.gz GTZAEGKHPFRROU-CQSZACIVSA-N 1 2 375.454 0.970 20 30 GCEDLO COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275377007 1184641983 /nfs/dbraw/zinc/64/19/83/1184641983.db2.gz WGPHKOZJTMSXLV-AWEZNQCLSA-N 1 2 390.440 0.047 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCC(C)CC3)C[C@@H]21 ZINC001083198748 1184675202 /nfs/dbraw/zinc/67/52/02/1184675202.db2.gz OYZZASGPZJGQSS-YDZRNGNQSA-N 1 2 391.512 0.748 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCC(C)CC3)C[C@@H]21 ZINC001083198748 1184675205 /nfs/dbraw/zinc/67/52/05/1184675205.db2.gz OYZZASGPZJGQSS-YDZRNGNQSA-N 1 2 391.512 0.748 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCCC ZINC001111488521 1185224911 /nfs/dbraw/zinc/22/49/11/1185224911.db2.gz MMAFNTISKWMSOC-JJXSEGSLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCCC ZINC001111488521 1185224915 /nfs/dbraw/zinc/22/49/15/1185224915.db2.gz MMAFNTISKWMSOC-JJXSEGSLSA-N 1 2 380.489 0.925 20 30 GCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000580745978 1185332020 /nfs/dbraw/zinc/33/20/20/1185332020.db2.gz DCOIOTMVPSSLLG-ZBFHGGJFSA-N 1 2 392.481 0.158 20 30 GCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ncccc1OCCCC#N ZINC000276096029 1185568970 /nfs/dbraw/zinc/56/89/70/1185568970.db2.gz QOHPBIYXFNXYHP-OAHLLOKOSA-N 1 2 377.445 0.921 20 30 GCEDLO Cc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)cc(C)[nH+]1 ZINC000581558972 1185758937 /nfs/dbraw/zinc/75/89/37/1185758937.db2.gz IATSXTVYHFVFCD-UHFFFAOYSA-N 1 2 394.478 0.979 20 30 GCEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000276462304 1185830091 /nfs/dbraw/zinc/83/00/91/1185830091.db2.gz BZYANOTYDTWVKE-UHFFFAOYSA-N 1 2 387.465 0.757 20 30 GCEDLO CCOC(=O)CO/N=C(/C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc[nH]n1 ZINC000276644139 1185933729 /nfs/dbraw/zinc/93/37/29/1185933729.db2.gz VLUREDNIBIWJMC-MQTUIEQJSA-N 1 2 386.412 0.484 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)C1 ZINC000891601935 1185937325 /nfs/dbraw/zinc/93/73/25/1185937325.db2.gz JAWTTZFCKCXYAW-CQSZACIVSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)C1 ZINC000891601935 1185937327 /nfs/dbraw/zinc/93/73/27/1185937327.db2.gz JAWTTZFCKCXYAW-CQSZACIVSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000891607557 1185938216 /nfs/dbraw/zinc/93/82/16/1185938216.db2.gz UOHJLUKESGAWQX-GFCCVEGCSA-N 1 2 397.884 0.896 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000891607557 1185938217 /nfs/dbraw/zinc/93/82/17/1185938217.db2.gz UOHJLUKESGAWQX-GFCCVEGCSA-N 1 2 397.884 0.896 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(OCCOC)c2)C1 ZINC000891605887 1185939866 /nfs/dbraw/zinc/93/98/66/1185939866.db2.gz BMZNIFUBKBFQDW-INIZCTEOSA-N 1 2 389.452 0.873 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(OCCOC)c2)C1 ZINC000891605887 1185939869 /nfs/dbraw/zinc/93/98/69/1185939869.db2.gz BMZNIFUBKBFQDW-INIZCTEOSA-N 1 2 389.452 0.873 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC(=O)NCC)c2)C1 ZINC000891605852 1185940007 /nfs/dbraw/zinc/94/00/07/1185940007.db2.gz AKNAIXSSWBVGPN-INIZCTEOSA-N 1 2 386.452 0.354 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC(=O)NCC)c2)C1 ZINC000891605852 1185940011 /nfs/dbraw/zinc/94/00/11/1185940011.db2.gz AKNAIXSSWBVGPN-INIZCTEOSA-N 1 2 386.452 0.354 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)C1 ZINC000891605955 1185940029 /nfs/dbraw/zinc/94/00/29/1185940029.db2.gz CRYWTMSIARQHJA-INIZCTEOSA-N 1 2 396.447 0.882 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)C1 ZINC000891605955 1185940031 /nfs/dbraw/zinc/94/00/31/1185940031.db2.gz CRYWTMSIARQHJA-INIZCTEOSA-N 1 2 396.447 0.882 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCCC(=O)OC)cc2)C1 ZINC000891605920 1185940187 /nfs/dbraw/zinc/94/01/87/1185940187.db2.gz HYLJZVKAABSUFJ-INIZCTEOSA-N 1 2 387.436 0.781 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCCC(=O)OC)cc2)C1 ZINC000891605920 1185940192 /nfs/dbraw/zinc/94/01/92/1185940192.db2.gz HYLJZVKAABSUFJ-INIZCTEOSA-N 1 2 387.436 0.781 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000891607019 1185941154 /nfs/dbraw/zinc/94/11/54/1185941154.db2.gz PVQFMCGTXUNWLM-MRXNPFEDSA-N 1 2 377.466 0.384 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000891607019 1185941156 /nfs/dbraw/zinc/94/11/56/1185941156.db2.gz PVQFMCGTXUNWLM-MRXNPFEDSA-N 1 2 377.466 0.384 20 30 GCEDLO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)[NH+]1CCOCC1 ZINC000328837689 1185941852 /nfs/dbraw/zinc/94/18/52/1185941852.db2.gz TVYVBSHZIDPCEG-GOSISDBHSA-N 1 2 395.548 0.641 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001111489807 1185967750 /nfs/dbraw/zinc/96/77/50/1185967750.db2.gz LMMLBPCHOUTDJD-XZDPQHSOSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001111489807 1185967756 /nfs/dbraw/zinc/96/77/56/1185967756.db2.gz LMMLBPCHOUTDJD-XZDPQHSOSA-N 1 2 378.473 0.677 20 30 GCEDLO CC(C)(CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000328883805 1186004277 /nfs/dbraw/zinc/00/42/77/1186004277.db2.gz YDLUSSAFXNALAE-UHFFFAOYSA-N 1 2 395.548 0.641 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(C)(C)C#N)c2)CC1 ZINC000510665437 1186050286 /nfs/dbraw/zinc/05/02/86/1186050286.db2.gz JICZKMOMOAXJAW-UHFFFAOYSA-N 1 2 385.468 0.955 20 30 GCEDLO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000610952327 1186265475 /nfs/dbraw/zinc/26/54/75/1186265475.db2.gz TUIFJKYFYMLEKE-HNNXBMFYSA-N 1 2 396.451 0.903 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(OCCOC)cc2)CC1 ZINC000277455404 1186393564 /nfs/dbraw/zinc/39/35/64/1186393564.db2.gz GNVZKZLRKWVHSJ-UHFFFAOYSA-N 1 2 387.480 0.538 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(OCCOC)cc2)CC1 ZINC000277455404 1186393567 /nfs/dbraw/zinc/39/35/67/1186393567.db2.gz GNVZKZLRKWVHSJ-UHFFFAOYSA-N 1 2 387.480 0.538 20 30 GCEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000478429627 1186516883 /nfs/dbraw/zinc/51/68/83/1186516883.db2.gz FUJFQAPTILTPSS-OAHLLOKOSA-N 1 2 376.457 0.360 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000159067935 1186556840 /nfs/dbraw/zinc/55/68/40/1186556840.db2.gz WSYLJEOATAUJHO-UHFFFAOYSA-N 1 2 384.480 0.541 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)CC1 ZINC000159067935 1186556843 /nfs/dbraw/zinc/55/68/43/1186556843.db2.gz WSYLJEOATAUJHO-UHFFFAOYSA-N 1 2 384.480 0.541 20 30 GCEDLO C#CCNC(=O)CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000728531833 1186725751 /nfs/dbraw/zinc/72/57/51/1186725751.db2.gz RUTWODONXFIKGQ-UHFFFAOYSA-N 1 2 396.407 0.288 20 30 GCEDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000583203187 1186795121 /nfs/dbraw/zinc/79/51/21/1186795121.db2.gz UOMMDZKOVZTPSG-OAHLLOKOSA-N 1 2 393.451 0.614 20 30 GCEDLO CN1C(=O)CC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329229075 1186880401 /nfs/dbraw/zinc/88/04/01/1186880401.db2.gz CIFOYOOIAIBRDW-CQSZACIVSA-N 1 2 395.485 0.111 20 30 GCEDLO N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NCCn3cc[nH+]c3)cc2)CC1 ZINC000583945354 1186965659 /nfs/dbraw/zinc/96/56/59/1186965659.db2.gz RQCYLGWEIZJWJH-UHFFFAOYSA-N 1 2 395.466 0.196 20 30 GCEDLO C=CCN(CC=C)C(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158709340 1186989144 /nfs/dbraw/zinc/98/91/44/1186989144.db2.gz GICQKXXKLZXMDV-UHFFFAOYSA-N 1 2 386.500 0.636 20 30 GCEDLO Cn1cc([C@@H]2C[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C[C@H]2CO)cn1 ZINC000584077056 1186994389 /nfs/dbraw/zinc/99/43/89/1186994389.db2.gz YKCJWIDFJSGJIE-HOTGVXAUSA-N 1 2 375.454 0.168 20 30 GCEDLO Cn1cc([C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C[C@H]2CO)cn1 ZINC000584077056 1186994391 /nfs/dbraw/zinc/99/43/91/1186994391.db2.gz YKCJWIDFJSGJIE-HOTGVXAUSA-N 1 2 375.454 0.168 20 30 GCEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000472312638 1187001434 /nfs/dbraw/zinc/00/14/34/1187001434.db2.gz JRTXZCJOSTVAQZ-CYBMUJFWSA-N 1 2 380.426 0.809 20 30 GCEDLO O=C(C[C@@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329721109 1187015587 /nfs/dbraw/zinc/01/55/87/1187015587.db2.gz AQGAZDSHVLUJBG-HNNXBMFYSA-N 1 2 382.486 0.917 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1O ZINC001023942482 1187182395 /nfs/dbraw/zinc/18/23/95/1187182395.db2.gz YWTXZRMFJRBOJD-HZMVEIRTSA-N 1 2 390.484 0.596 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1O ZINC001023957749 1187193360 /nfs/dbraw/zinc/19/33/60/1187193360.db2.gz ACDVLFRHOLZMFX-FPCVCCKLSA-N 1 2 376.457 0.022 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1O ZINC001023961419 1187195076 /nfs/dbraw/zinc/19/50/76/1187195076.db2.gz AMUIYACANKUBFR-VQHPVUNQSA-N 1 2 389.452 0.302 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001024386114 1187372325 /nfs/dbraw/zinc/37/23/25/1187372325.db2.gz SMNNCSDLRQTIRE-VQHPVUNQSA-N 1 2 389.452 0.302 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001024385564 1187372936 /nfs/dbraw/zinc/37/29/36/1187372936.db2.gz FVMDNBNVQJJHAT-MKSNKDDYSA-N 1 2 389.452 0.302 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)nc1 ZINC000290181554 1187543219 /nfs/dbraw/zinc/54/32/19/1187543219.db2.gz FKHZHULYGFJYJI-INIZCTEOSA-N 1 2 376.482 0.965 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)nc1 ZINC000290181554 1187543224 /nfs/dbraw/zinc/54/32/24/1187543224.db2.gz FKHZHULYGFJYJI-INIZCTEOSA-N 1 2 376.482 0.965 20 30 GCEDLO C=CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000685799773 1187571779 /nfs/dbraw/zinc/57/17/79/1187571779.db2.gz DPSDAJXEPAHIHG-HOTGVXAUSA-N 1 2 396.513 0.685 20 30 GCEDLO C=CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000685799773 1187571780 /nfs/dbraw/zinc/57/17/80/1187571780.db2.gz DPSDAJXEPAHIHG-HOTGVXAUSA-N 1 2 396.513 0.685 20 30 GCEDLO O=C(NCC#C[C@H]1CCCCO1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892543519 1187741801 /nfs/dbraw/zinc/74/18/01/1187741801.db2.gz GJAQDARZZMVNIM-GOSISDBHSA-N 1 2 399.495 0.992 20 30 GCEDLO CC(C)Nc1nc(N2CCC(C#N)(c3ccccn3)CC2)nc(NCCO)[nH+]1 ZINC000376466925 1187858065 /nfs/dbraw/zinc/85/80/65/1187858065.db2.gz LITXUCXVTZEPAU-UHFFFAOYSA-N 1 2 382.472 0.397 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1O ZINC001025712581 1188025092 /nfs/dbraw/zinc/02/50/92/1188025092.db2.gz RUHIJNCYHODSLZ-FPCVCCKLSA-N 1 2 376.457 0.206 20 30 GCEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000413969665 1193961009 /nfs/dbraw/zinc/96/10/09/1193961009.db2.gz VNYRLOIHJYLPHY-UHFFFAOYSA-N 1 2 381.498 0.992 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1OCC ZINC000982864035 1193980236 /nfs/dbraw/zinc/98/02/36/1193980236.db2.gz YIYVGFOKLADIKE-WCXIOVBPSA-N 1 2 390.484 0.913 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000280684688 1194014464 /nfs/dbraw/zinc/01/44/64/1194014464.db2.gz QRSWUPBCEVBSFA-UHFFFAOYSA-N 1 2 380.448 0.285 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000280684688 1194014470 /nfs/dbraw/zinc/01/44/70/1194014470.db2.gz QRSWUPBCEVBSFA-UHFFFAOYSA-N 1 2 380.448 0.285 20 30 GCEDLO CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000982910384 1194076063 /nfs/dbraw/zinc/07/60/63/1194076063.db2.gz SXEURIRPWWUPOR-YWTNHNAXSA-N 1 2 384.480 0.917 20 30 GCEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366551795 1194209358 /nfs/dbraw/zinc/20/93/58/1194209358.db2.gz AKIDRFRXXYHVPY-GDBMZVCRSA-N 1 2 385.472 0.432 20 30 GCEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366551795 1194209362 /nfs/dbraw/zinc/20/93/62/1194209362.db2.gz AKIDRFRXXYHVPY-GDBMZVCRSA-N 1 2 385.472 0.432 20 30 GCEDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC(C)(C)CC#N ZINC000422325737 1194614608 /nfs/dbraw/zinc/61/46/08/1194614608.db2.gz KXLJCXZFGOFQPD-INIZCTEOSA-N 1 2 386.500 0.764 20 30 GCEDLO C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424112262 1194802984 /nfs/dbraw/zinc/80/29/84/1194802984.db2.gz IUYKZSFCEGLBGH-HNNXBMFYSA-N 1 2 397.545 0.913 20 30 GCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505519154 1194870499 /nfs/dbraw/zinc/87/04/99/1194870499.db2.gz DJRVFHOVOBHOMG-RHSMWYFYSA-N 1 2 399.451 0.600 20 30 GCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505519154 1194870501 /nfs/dbraw/zinc/87/05/01/1194870501.db2.gz DJRVFHOVOBHOMG-RHSMWYFYSA-N 1 2 399.451 0.600 20 30 GCEDLO CN(CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000505542563 1194873503 /nfs/dbraw/zinc/87/35/03/1194873503.db2.gz KDNAPBJDXHOSEF-GOSISDBHSA-N 1 2 399.476 0.747 20 30 GCEDLO Cn1c[nH+]c([C@@H]2CN(C(=O)CCS)C[C@H]2C(=O)N2CC3(CC(O)C3)C2)c1 ZINC001269883674 1194879514 /nfs/dbraw/zinc/87/95/14/1194879514.db2.gz UXSPEIZYLXPULW-ZIAGYGMSSA-N 1 2 378.498 0.265 20 30 GCEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000425379314 1194933391 /nfs/dbraw/zinc/93/33/91/1194933391.db2.gz CWAJKCCLEVOBMH-QAPCUYQASA-N 1 2 388.468 0.229 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1OCC ZINC000983371942 1195032815 /nfs/dbraw/zinc/03/28/15/1195032815.db2.gz DCINMGIPWNYGRA-NRSFXHEJSA-N 1 2 390.484 0.913 20 30 GCEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1=O ZINC000516669463 1195081435 /nfs/dbraw/zinc/08/14/35/1195081435.db2.gz REMXXNRQXMPBMS-IRXDYDNUSA-N 1 2 394.516 0.095 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc2)CC1 ZINC000437407179 1195107575 /nfs/dbraw/zinc/10/75/75/1195107575.db2.gz OIUAZUJVDCPGDF-HNNXBMFYSA-N 1 2 385.468 0.907 20 30 GCEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000440347393 1195409056 /nfs/dbraw/zinc/40/90/56/1195409056.db2.gz SFKBHFQSSHFRJI-QGZVFWFLSA-N 1 2 383.514 0.061 20 30 GCEDLO 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O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000328813808 1195666618 /nfs/dbraw/zinc/66/66/18/1195666618.db2.gz BYPUPBQFUWSNDC-IRXDYDNUSA-N 1 2 381.498 0.309 20 30 GCEDLO Cc1cnn(CC(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC000328816975 1195666702 /nfs/dbraw/zinc/66/67/02/1195666702.db2.gz GTKNSZOTRSEFHS-INIZCTEOSA-N 1 2 399.499 0.995 20 30 GCEDLO Cc1nn(C)cc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328829621 1195669429 /nfs/dbraw/zinc/66/94/29/1195669429.db2.gz KFSUCFLYPQTJIH-HNNXBMFYSA-N 1 2 399.499 0.880 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(-c3n[nH]c(CC)n3)cc2)CC1 ZINC000125286785 1195694414 /nfs/dbraw/zinc/69/44/14/1195694414.db2.gz WITFQOULXJPGIS-UHFFFAOYSA-N 1 2 394.479 0.931 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(-c3n[nH]c(CC)n3)cc2)CC1 ZINC000125286785 1195694415 /nfs/dbraw/zinc/69/44/15/1195694415.db2.gz WITFQOULXJPGIS-UHFFFAOYSA-N 1 2 394.479 0.931 20 30 GCEDLO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000330749185 1195705795 /nfs/dbraw/zinc/70/57/95/1195705795.db2.gz HGLGILRBSLTIFK-MRXNPFEDSA-N 1 2 399.513 0.551 20 30 GCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330759117 1195706380 /nfs/dbraw/zinc/70/63/80/1195706380.db2.gz LYIOUAVNIYGPIZ-IRXDYDNUSA-N 1 2 387.546 0.926 20 30 GCEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330759117 1195706381 /nfs/dbraw/zinc/70/63/81/1195706381.db2.gz LYIOUAVNIYGPIZ-IRXDYDNUSA-N 1 2 387.546 0.926 20 30 GCEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000331141433 1195720781 /nfs/dbraw/zinc/72/07/81/1195720781.db2.gz KOOWZUHDTBZYNF-CQSZACIVSA-N 1 2 382.486 0.979 20 30 GCEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000331141433 1195720783 /nfs/dbraw/zinc/72/07/83/1195720783.db2.gz KOOWZUHDTBZYNF-CQSZACIVSA-N 1 2 382.486 0.979 20 30 GCEDLO N#Cc1ccc(C[NH+]2CCN([C@@H]3CC(=O)N(c4cnccn4)C3=O)CC2)cc1 ZINC000520777481 1195853667 /nfs/dbraw/zinc/85/36/67/1195853667.db2.gz FYYYWQOFDVCHGV-QGZVFWFLSA-N 1 2 376.420 0.798 20 30 GCEDLO C[C@H](C#N)CN(C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000441911892 1195932251 /nfs/dbraw/zinc/93/22/51/1195932251.db2.gz OCWHRTRGIAWZME-CQSZACIVSA-N 1 2 398.467 0.558 20 30 GCEDLO N#Cc1ccc([C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)C(N)=O)cc1 ZINC000442088820 1195953853 /nfs/dbraw/zinc/95/38/53/1195953853.db2.gz ARQXGBULWAQKMO-INIZCTEOSA-N 1 2 394.403 0.931 20 30 GCEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000521829908 1196019073 /nfs/dbraw/zinc/01/90/73/1196019073.db2.gz GEXVHUGKDZEMQW-GBESFXJTSA-N 1 2 382.464 0.711 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)Cn2cccn2)CC3)CC1 ZINC000328809047 1196061327 /nfs/dbraw/zinc/06/13/27/1196061327.db2.gz DUSUNQNWABWTIW-OAHLLOKOSA-N 1 2 385.472 0.686 20 30 GCEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1=O ZINC000522214557 1196061858 /nfs/dbraw/zinc/06/18/58/1196061858.db2.gz TYVWHSPLOYWTNS-TWGQIWQCSA-N 1 2 396.447 0.821 20 30 GCEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000280863254 1196114034 /nfs/dbraw/zinc/11/40/34/1196114034.db2.gz KXXCDDKNILLUEN-MOPGFXCFSA-N 1 2 395.463 0.290 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000895918845 1196117906 /nfs/dbraw/zinc/11/79/06/1196117906.db2.gz OZHDFBFIUGIMAS-UHFFFAOYSA-N 1 2 398.529 0.471 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000895917077 1196118087 /nfs/dbraw/zinc/11/80/87/1196118087.db2.gz BFMZMKVEBIFJGN-GOSISDBHSA-N 1 2 379.482 0.440 20 30 GCEDLO C[C@H](CNC(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1)[NH+]1CCOCC1 ZINC000329052154 1196159841 /nfs/dbraw/zinc/15/98/41/1196159841.db2.gz ROENYRIHWDZTOS-HIFRSBDPSA-N 1 2 378.477 0.870 20 30 GCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000329088011 1196162103 /nfs/dbraw/zinc/16/21/03/1196162103.db2.gz HQWWGEPOXZPSPS-MRXNPFEDSA-N 1 2 395.525 0.942 20 30 GCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000329088011 1196162106 /nfs/dbraw/zinc/16/21/06/1196162106.db2.gz HQWWGEPOXZPSPS-MRXNPFEDSA-N 1 2 395.525 0.942 20 30 GCEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000329192653 1196174308 /nfs/dbraw/zinc/17/43/08/1196174308.db2.gz SZCWHVUKRLABKO-INIZCTEOSA-N 1 2 395.529 0.460 20 30 GCEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000329198049 1196175013 /nfs/dbraw/zinc/17/50/13/1196175013.db2.gz WMSOHEJXUJPHQG-MRXNPFEDSA-N 1 2 395.529 0.460 20 30 GCEDLO CCS(=O)(=O)N1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000329216704 1196176908 /nfs/dbraw/zinc/17/69/08/1196176908.db2.gz OYSCONBDIQMYPZ-GOEBONIOSA-N 1 2 388.534 0.510 20 30 GCEDLO CCN1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1=O ZINC000329225014 1196177499 /nfs/dbraw/zinc/17/74/99/1196177499.db2.gz FWAFZJAFQJDIJI-RDTXWAMCSA-N 1 2 388.472 0.693 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCc3nncn3C3CC3)ccn2)CC1 ZINC000329269743 1196181311 /nfs/dbraw/zinc/18/13/11/1196181311.db2.gz GZCMXSMIYHUWJY-UHFFFAOYSA-N 1 2 384.444 0.922 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCc3nnc4n3CCC4)ccn2)CC1 ZINC000329276040 1196182043 /nfs/dbraw/zinc/18/20/43/1196182043.db2.gz KDBPVLRQYIPSLQ-UHFFFAOYSA-N 1 2 384.444 0.533 20 30 GCEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCO[C@@]2(CCCOC2)C1 ZINC000329307817 1196184417 /nfs/dbraw/zinc/18/44/17/1196184417.db2.gz YNJBFDCOOGMVNL-MSOLQXFVSA-N 1 2 385.530 0.990 20 30 GCEDLO CN(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@H]1CCN(C)C1=O ZINC000329348841 1196187671 /nfs/dbraw/zinc/18/76/71/1196187671.db2.gz SKAYEKTWUJREST-JKIFEVAISA-N 1 2 388.472 0.691 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC(=O)N3CCCCC3)ccn2)CC1 ZINC000329460208 1196198480 /nfs/dbraw/zinc/19/84/80/1196198480.db2.gz RUQDVYSUHPLIEI-UHFFFAOYSA-N 1 2 388.472 0.808 20 30 GCEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000329475702 1196199537 /nfs/dbraw/zinc/19/95/37/1196199537.db2.gz PCQRLEZGJVUZKW-GOSISDBHSA-N 1 2 388.428 0.603 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000329629874 1196212039 /nfs/dbraw/zinc/21/20/39/1196212039.db2.gz WDCYROMVKHNUFI-HOTGVXAUSA-N 1 2 392.500 0.667 20 30 GCEDLO Cc1nc2cncc(N3CCN(C([O-])=[NH+][C@@H]4CCc5[nH]c[nH+]c5C4)CC3)n2n1 ZINC000329749623 1196229357 /nfs/dbraw/zinc/22/93/57/1196229357.db2.gz UJGFRTLYZVBTES-CYBMUJFWSA-N 1 2 381.444 0.749 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@@H](OCCO)C3)ccn2)CC1 ZINC000329805133 1196232259 /nfs/dbraw/zinc/23/22/59/1196232259.db2.gz AKEBXRMZFZSWPO-MRXNPFEDSA-N 1 2 391.472 0.488 20 30 GCEDLO Cc1nc2n(n1)C[C@H](NC(=O)Nc1ccnc(C(=O)N3CC[NH+](C)CC3)c1)CC2 ZINC000329819807 1196233102 /nfs/dbraw/zinc/23/31/02/1196233102.db2.gz GORHAKDABJBMKI-OAHLLOKOSA-N 1 2 398.471 0.519 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@]3(CCO)CCOC3)ccn2)CC1 ZINC000329836036 1196233839 /nfs/dbraw/zinc/23/38/39/1196233839.db2.gz LQXBZDPEDSSJBN-IBGZPJMESA-N 1 2 391.472 0.584 20 30 GCEDLO CN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000329844573 1196234019 /nfs/dbraw/zinc/23/40/19/1196234019.db2.gz OJQWKEBAXZBPIZ-AWEZNQCLSA-N 1 2 395.485 0.134 20 30 GCEDLO Cc1nc2n(n1)CCN(C(=O)Nc1ccnc(C(=O)N3CC[NH+](C)CC3)c1)C2 ZINC000329843528 1196234151 /nfs/dbraw/zinc/23/41/51/1196234151.db2.gz ODTUANZTURKOAN-UHFFFAOYSA-N 1 2 384.444 0.430 20 30 GCEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NCc1nnn(C)n1 ZINC000329894198 1196236867 /nfs/dbraw/zinc/23/68/67/1196236867.db2.gz BBSQCZXMKMSYBT-RYUDHWBXSA-N 1 2 382.469 0.933 20 30 GCEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NCc1nnn(C)n1 ZINC000329894198 1196236870 /nfs/dbraw/zinc/23/68/70/1196236870.db2.gz BBSQCZXMKMSYBT-RYUDHWBXSA-N 1 2 382.469 0.933 20 30 GCEDLO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329898221 1196237029 /nfs/dbraw/zinc/23/70/29/1196237029.db2.gz LZDSLLHGGVYOSL-MRXNPFEDSA-N 1 2 388.516 0.893 20 30 GCEDLO CCNC(=O)N1CC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000329981077 1196244198 /nfs/dbraw/zinc/24/41/98/1196244198.db2.gz MPPXVKBOKCMEEV-HNNXBMFYSA-N 1 2 390.492 0.110 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330019228 1196246740 /nfs/dbraw/zinc/24/67/40/1196246740.db2.gz USZCYUVGGMTDDV-FUHWJXTLSA-N 1 2 394.516 0.519 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330019228 1196246743 /nfs/dbraw/zinc/24/67/43/1196246743.db2.gz USZCYUVGGMTDDV-FUHWJXTLSA-N 1 2 394.516 0.519 20 30 GCEDLO N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)C2=O)cc1 ZINC000330125306 1196254452 /nfs/dbraw/zinc/25/44/52/1196254452.db2.gz BOBKUZAIHZKCOW-MOPGFXCFSA-N 1 2 397.479 0.980 20 30 GCEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCOC2(CCOCC2)C1 ZINC000330126977 1196254723 /nfs/dbraw/zinc/25/47/23/1196254723.db2.gz CJBNUJURAXDKOM-QGZVFWFLSA-N 1 2 385.530 0.990 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000281728149 1196326318 /nfs/dbraw/zinc/32/63/18/1196326318.db2.gz JSXJQWUSJGQEDP-RDJZCZTQSA-N 1 2 391.472 0.251 20 30 GCEDLO C=CCN1CC[C@H](N(C)C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000281773904 1196330679 /nfs/dbraw/zinc/33/06/79/1196330679.db2.gz RDDPWSNHTADXFN-KRWDZBQOSA-N 1 2 399.495 0.756 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088137923 1196375980 /nfs/dbraw/zinc/37/59/80/1196375980.db2.gz KHNSQXZQOPZDRJ-AESZEHBQSA-N 1 2 375.473 0.370 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088137923 1196375985 /nfs/dbraw/zinc/37/59/85/1196375985.db2.gz KHNSQXZQOPZDRJ-AESZEHBQSA-N 1 2 375.473 0.370 20 30 GCEDLO C#CCNC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nc1 ZINC000112513585 1196493755 /nfs/dbraw/zinc/49/37/55/1196493755.db2.gz BGFLMOVFIJEOOD-UHFFFAOYSA-N 1 2 376.424 0.448 20 30 GCEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000467492766 1196525354 /nfs/dbraw/zinc/52/53/54/1196525354.db2.gz DIRLBNDBPZJIRK-IBGZPJMESA-N 1 2 376.457 0.408 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000524126234 1196577554 /nfs/dbraw/zinc/57/75/54/1196577554.db2.gz IDYKTNKYFUSMPK-OAHLLOKOSA-N 1 2 381.498 0.849 20 30 GCEDLO N#Cc1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000446789186 1196669736 /nfs/dbraw/zinc/66/97/36/1196669736.db2.gz CCQGHOIHHSLQGH-UHFFFAOYSA-N 1 2 382.424 0.342 20 30 GCEDLO CC(C)N(CCC#N)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000526111895 1196742068 /nfs/dbraw/zinc/74/20/68/1196742068.db2.gz AKXUXOVBBFRZSB-UHFFFAOYSA-N 1 2 386.456 0.558 20 30 GCEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448698935 1196824937 /nfs/dbraw/zinc/82/49/37/1196824937.db2.gz RMIISXXGUGRTPN-YOEHRIQHSA-N 1 2 377.470 0.199 20 30 GCEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528414305 1196857918 /nfs/dbraw/zinc/85/79/18/1196857918.db2.gz DBKUDXDEHCIIBL-AWEZNQCLSA-N 1 2 375.450 0.300 20 30 GCEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528414305 1196857921 /nfs/dbraw/zinc/85/79/21/1196857921.db2.gz DBKUDXDEHCIIBL-AWEZNQCLSA-N 1 2 375.450 0.300 20 30 GCEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000451188625 1196978692 /nfs/dbraw/zinc/97/86/92/1196978692.db2.gz OFSFYPJIAVVOSG-OAHLLOKOSA-N 1 2 380.445 0.435 20 30 GCEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000451188625 1196978694 /nfs/dbraw/zinc/97/86/94/1196978694.db2.gz OFSFYPJIAVVOSG-OAHLLOKOSA-N 1 2 380.445 0.435 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]3CCOCC3)CC2)c1C#N ZINC000530408307 1196985533 /nfs/dbraw/zinc/98/55/33/1196985533.db2.gz TWSURKOWWYJZJT-GDBMZVCRSA-N 1 2 389.504 0.541 20 30 GCEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000453659769 1197118262 /nfs/dbraw/zinc/11/82/62/1197118262.db2.gz DCKGJXXGNMMZRE-LLVKDONJSA-N 1 2 393.831 0.641 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000453746166 1197128319 /nfs/dbraw/zinc/12/83/19/1197128319.db2.gz GTTGFFGXHRUFMD-LLVKDONJSA-N 1 2 393.831 0.641 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000453746166 1197128322 /nfs/dbraw/zinc/12/83/22/1197128322.db2.gz GTTGFFGXHRUFMD-LLVKDONJSA-N 1 2 393.831 0.641 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CC1 ZINC000171975996 1197159356 /nfs/dbraw/zinc/15/93/56/1197159356.db2.gz SMMSLMUBZHFLSF-HNNXBMFYSA-N 1 2 388.434 0.544 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CC1 ZINC000171975996 1197159360 /nfs/dbraw/zinc/15/93/60/1197159360.db2.gz SMMSLMUBZHFLSF-HNNXBMFYSA-N 1 2 388.434 0.544 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCN(c4cnn(C)c4)CC3)CC2)o1 ZINC000174912756 1197182784 /nfs/dbraw/zinc/18/27/84/1197182784.db2.gz HJTIOYWFLNYGIR-UHFFFAOYSA-N 1 2 398.471 0.059 20 30 GCEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3cc(=O)n(C)c(=O)n3C)c2)n1 ZINC000170641664 1197253755 /nfs/dbraw/zinc/25/37/55/1197253755.db2.gz OUKZQBZBARHOIS-UHFFFAOYSA-N 1 2 396.451 0.783 20 30 GCEDLO C=CCNC(=O)CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000272007930 1197560526 /nfs/dbraw/zinc/56/05/26/1197560526.db2.gz VNYOJPJBYVSQSG-UHFFFAOYSA-N 1 2 376.457 0.499 20 30 GCEDLO C=CCS(=O)(=O)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000273080278 1197562690 /nfs/dbraw/zinc/56/26/90/1197562690.db2.gz MGVONTLVMSDNMS-UHFFFAOYSA-N 1 2 394.497 0.227 20 30 GCEDLO C=CCS(=O)(=O)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000272893087 1197565463 /nfs/dbraw/zinc/56/54/63/1197565463.db2.gz XFDWKNPZHZEZIY-MSOLQXFVSA-N 1 2 395.525 0.769 20 30 GCEDLO C=CCS(=O)(=O)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000272893087 1197565465 /nfs/dbraw/zinc/56/54/65/1197565465.db2.gz XFDWKNPZHZEZIY-MSOLQXFVSA-N 1 2 395.525 0.769 20 30 GCEDLO Cn1c(=O)c(C(=O)C[NH+]2CCC(CC#N)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000542880951 1199121913 /nfs/dbraw/zinc/12/19/13/1199121913.db2.gz XRBJCPQTBYGVBQ-UHFFFAOYSA-N 1 2 395.463 0.986 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000172778274 1199207689 /nfs/dbraw/zinc/20/76/89/1199207689.db2.gz KIOWMZOIRQBWCE-UHFFFAOYSA-N 1 2 395.463 0.983 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000172778274 1199207693 /nfs/dbraw/zinc/20/76/93/1199207693.db2.gz KIOWMZOIRQBWCE-UHFFFAOYSA-N 1 2 395.463 0.983 20 30 GCEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000156561944 1199900717 /nfs/dbraw/zinc/90/07/17/1199900717.db2.gz FVNIBFHSJOLJSR-MRXNPFEDSA-N 1 2 389.475 0.934 20 30 GCEDLO COCCn1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1=O ZINC000021708426 1199905020 /nfs/dbraw/zinc/90/50/20/1199905020.db2.gz CXITXPDVTCJYRP-UHFFFAOYSA-N 1 2 381.436 0.719 20 30 GCEDLO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1C ZINC000543528499 1200071152 /nfs/dbraw/zinc/07/11/52/1200071152.db2.gz YGCHQTDGSUBLMV-UHFFFAOYSA-N 1 2 396.451 0.436 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001083853104 1200133859 /nfs/dbraw/zinc/13/38/59/1200133859.db2.gz CJLBEFDTAPTRAT-FZKCQIBNSA-N 1 2 381.498 0.361 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@@H]1O ZINC001083853104 1200133862 /nfs/dbraw/zinc/13/38/62/1200133862.db2.gz CJLBEFDTAPTRAT-FZKCQIBNSA-N 1 2 381.498 0.361 20 30 GCEDLO CO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000946816374 1200170087 /nfs/dbraw/zinc/17/00/87/1200170087.db2.gz SOPZSFSJTIFLSO-KCYZZUKISA-N 1 2 382.424 0.379 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000130798580 1200454302 /nfs/dbraw/zinc/45/43/02/1200454302.db2.gz GBAMRXLCKPCJNM-MRXNPFEDSA-N 1 2 399.476 0.850 20 30 GCEDLO N#Cc1ccc2c(c1)N(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000567835479 1200706809 /nfs/dbraw/zinc/70/68/09/1200706809.db2.gz RHPFWLQDGWCOOK-UHFFFAOYSA-N 1 2 394.435 0.615 20 30 GCEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000328758262 1200743173 /nfs/dbraw/zinc/74/31/73/1200743173.db2.gz VRVAKPPOYISLEO-UAGQMJEPSA-N 1 2 375.473 1.499 20 30 GCEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329108004 1200743558 /nfs/dbraw/zinc/74/35/58/1200743558.db2.gz IFCPOXRMRLYRSS-QAPCUYQASA-N 1 2 379.461 0.879 20 30 GCEDLO C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000282539540 1200898936 /nfs/dbraw/zinc/89/89/36/1200898936.db2.gz HXTKFYISRJAMFD-UHFFFAOYSA-N 1 2 395.471 0.875 20 30 GCEDLO Cc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1C#N ZINC000514731829 1200956665 /nfs/dbraw/zinc/95/66/65/1200956665.db2.gz ZVUUYPIFCXEBHH-UHFFFAOYSA-N 1 2 382.424 0.973 20 30 GCEDLO C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1nnc2n1CCCC2 ZINC000330093213 1201048488 /nfs/dbraw/zinc/04/84/88/1201048488.db2.gz ZKWSNISJXIXTLF-CQSZACIVSA-N 1 2 388.476 1.230 20 30 GCEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000588767163 1201099549 /nfs/dbraw/zinc/09/95/49/1201099549.db2.gz ZITKLRRUUZBAOM-KRWDZBQOSA-N 1 2 395.467 0.557 20 30 GCEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000588767163 1201099556 /nfs/dbraw/zinc/09/95/56/1201099556.db2.gz ZITKLRRUUZBAOM-KRWDZBQOSA-N 1 2 395.467 0.557 20 30 GCEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611540692 1201244219 /nfs/dbraw/zinc/24/42/19/1201244219.db2.gz NYEJEARNZHWLSV-GJZGRUSLSA-N 1 2 380.426 0.686 20 30 GCEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001082139352 1201317495 /nfs/dbraw/zinc/31/74/95/1201317495.db2.gz QQBUMRQBFGCORO-LTCOOKNTSA-N 1 2 388.443 0.914 20 30 GCEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001082139352 1201317498 /nfs/dbraw/zinc/31/74/98/1201317498.db2.gz QQBUMRQBFGCORO-LTCOOKNTSA-N 1 2 388.443 0.914 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001082146539 1201319491 /nfs/dbraw/zinc/31/94/91/1201319491.db2.gz JKFDXTOLTBKAAH-ZJPYXAASSA-N 1 2 379.501 0.796 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1OC ZINC001082146539 1201319495 /nfs/dbraw/zinc/31/94/95/1201319495.db2.gz JKFDXTOLTBKAAH-ZJPYXAASSA-N 1 2 379.501 0.796 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001084715805 1201441689 /nfs/dbraw/zinc/44/16/89/1201441689.db2.gz XNCALMISLBZIQK-QEEHTWDDSA-N 1 2 391.512 0.796 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C[C@H]21 ZINC001084715805 1201441693 /nfs/dbraw/zinc/44/16/93/1201441693.db2.gz XNCALMISLBZIQK-QEEHTWDDSA-N 1 2 391.512 0.796 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000732070867 1201516565 /nfs/dbraw/zinc/51/65/65/1201516565.db2.gz JBYDTPIUVYZMSQ-IBGZPJMESA-N 1 2 384.480 0.785 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000732070867 1201516573 /nfs/dbraw/zinc/51/65/73/1201516573.db2.gz JBYDTPIUVYZMSQ-IBGZPJMESA-N 1 2 384.480 0.785 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000732079467 1201518842 /nfs/dbraw/zinc/51/88/42/1201518842.db2.gz OMGFOEQHECENQM-BBRMVZONSA-N 1 2 392.481 0.136 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000732079467 1201518849 /nfs/dbraw/zinc/51/88/49/1201518849.db2.gz OMGFOEQHECENQM-BBRMVZONSA-N 1 2 392.481 0.136 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000733148734 1201577260 /nfs/dbraw/zinc/57/72/60/1201577260.db2.gz JZLVJCFVEGWZHT-LJQANCHMSA-N 1 2 398.463 0.084 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000733148734 1201577264 /nfs/dbraw/zinc/57/72/64/1201577264.db2.gz JZLVJCFVEGWZHT-LJQANCHMSA-N 1 2 398.463 0.084 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)CC1 ZINC000733364556 1201586191 /nfs/dbraw/zinc/58/61/91/1201586191.db2.gz LASFANWEZLVHSA-KRWDZBQOSA-N 1 2 393.532 0.392 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)CC1 ZINC000733364556 1201586196 /nfs/dbraw/zinc/58/61/96/1201586196.db2.gz LASFANWEZLVHSA-KRWDZBQOSA-N 1 2 393.532 0.392 20 30 GCEDLO C=CCOCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065693553 1201630562 /nfs/dbraw/zinc/63/05/62/1201630562.db2.gz DLTVPXDRHCQNGA-SGTQZHETSA-N 1 2 389.496 0.358 20 30 GCEDLO CC(C)CN(CCC#N)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000739915263 1201743827 /nfs/dbraw/zinc/74/38/27/1201743827.db2.gz XWMDPTOZYTWOFH-UHFFFAOYSA-N 1 2 384.488 0.884 20 30 GCEDLO C#CCSCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000740518458 1201748498 /nfs/dbraw/zinc/74/84/98/1201748498.db2.gz GHUPPGZKLQCNBL-UHFFFAOYSA-N 1 2 388.493 0.495 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000741140759 1201759242 /nfs/dbraw/zinc/75/92/42/1201759242.db2.gz MURLBKYXRMEJSH-UHFFFAOYSA-N 1 2 398.507 0.545 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000741140759 1201759243 /nfs/dbraw/zinc/75/92/43/1201759243.db2.gz MURLBKYXRMEJSH-UHFFFAOYSA-N 1 2 398.507 0.545 20 30 GCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000741790469 1201785674 /nfs/dbraw/zinc/78/56/74/1201785674.db2.gz DQAWRCQAWALQCU-KRWDZBQOSA-N 1 2 392.525 0.029 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000741790470 1201785704 /nfs/dbraw/zinc/78/57/04/1201785704.db2.gz DQAWRCQAWALQCU-QGZVFWFLSA-N 1 2 392.525 0.029 20 30 GCEDLO C=CCSCC(=O)N1C[C@@H](C(=O)Nc2nnco2)[C@H](c2cn(C)c[nH+]2)C1 ZINC001273419063 1201836600 /nfs/dbraw/zinc/83/66/00/1201836600.db2.gz SVJBKQANDWTGMW-VXGBXAGGSA-N 1 2 376.442 0.903 20 30 GCEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000745086493 1201864060 /nfs/dbraw/zinc/86/40/60/1201864060.db2.gz MFFACVHZIYGZID-INIZCTEOSA-N 1 2 389.456 0.921 20 30 GCEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000745086493 1201864064 /nfs/dbraw/zinc/86/40/64/1201864064.db2.gz MFFACVHZIYGZID-INIZCTEOSA-N 1 2 389.456 0.921 20 30 GCEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000745817341 1201891423 /nfs/dbraw/zinc/89/14/23/1201891423.db2.gz YOVDHMZQFBDZJJ-GOSISDBHSA-N 1 2 396.495 0.950 20 30 GCEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000745817341 1201891427 /nfs/dbraw/zinc/89/14/27/1201891427.db2.gz YOVDHMZQFBDZJJ-GOSISDBHSA-N 1 2 396.495 0.950 20 30 GCEDLO N#CCn1cc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000746355777 1201912800 /nfs/dbraw/zinc/91/28/00/1201912800.db2.gz MWUGXROSXCAKPQ-UHFFFAOYSA-N 1 2 381.440 0.284 20 30 GCEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000746454715 1201924372 /nfs/dbraw/zinc/92/43/72/1201924372.db2.gz FPWSNNSSUUYUFJ-ZIAGYGMSSA-N 1 2 385.449 0.977 20 30 GCEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000746454715 1201924374 /nfs/dbraw/zinc/92/43/74/1201924374.db2.gz FPWSNNSSUUYUFJ-ZIAGYGMSSA-N 1 2 385.449 0.977 20 30 GCEDLO C#CC[C@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)OC ZINC001169180571 1201937945 /nfs/dbraw/zinc/93/79/45/1201937945.db2.gz HUHGDGKLHMVELO-KBPBESRZSA-N 1 2 389.456 0.147 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)on1)C2 ZINC001108898149 1201978486 /nfs/dbraw/zinc/97/84/86/1201978486.db2.gz BSFKVJWWEMXLMJ-CXTNEJHOSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)on1)C2 ZINC001108898149 1201978489 /nfs/dbraw/zinc/97/84/89/1201978489.db2.gz BSFKVJWWEMXLMJ-CXTNEJHOSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)no1)C2 ZINC001108922270 1201981041 /nfs/dbraw/zinc/98/10/41/1201981041.db2.gz FVXIRNMLZHEFRR-MQYQWHSLSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)no1)C2 ZINC001108922270 1201981042 /nfs/dbraw/zinc/98/10/42/1201981042.db2.gz FVXIRNMLZHEFRR-MQYQWHSLSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)c1cnn(C)c1 ZINC001109058976 1201992929 /nfs/dbraw/zinc/99/29/29/1201992929.db2.gz RCNOEULQONFSRD-KBMXLJTQSA-N 1 2 381.502 0.386 20 30 GCEDLO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)c1cnn(C)c1 ZINC001109058976 1201992930 /nfs/dbraw/zinc/99/29/30/1201992930.db2.gz RCNOEULQONFSRD-KBMXLJTQSA-N 1 2 381.502 0.386 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)c1ccccc1 ZINC001109088834 1201994820 /nfs/dbraw/zinc/99/48/20/1201994820.db2.gz SLJIPFDFSQSREH-JHNDHUHGSA-N 1 2 376.482 0.846 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)c1ccccc1 ZINC001109088834 1201994821 /nfs/dbraw/zinc/99/48/21/1201994821.db2.gz SLJIPFDFSQSREH-JHNDHUHGSA-N 1 2 376.482 0.846 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCOC1)C2 ZINC001109145370 1201998217 /nfs/dbraw/zinc/99/82/17/1201998217.db2.gz WKXXUYODVFFVDX-FZKCQIBNSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCOC1)C2 ZINC001109145370 1201998219 /nfs/dbraw/zinc/99/82/19/1201998219.db2.gz WKXXUYODVFFVDX-FZKCQIBNSA-N 1 2 378.473 0.536 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)Nc1ccccc1C ZINC001109168331 1201999603 /nfs/dbraw/zinc/99/96/03/1201999603.db2.gz UAWNNRNJOQAFSC-NJAFHUGGSA-N 1 2 382.464 0.795 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)Nc1ccccc1C ZINC001109168331 1201999605 /nfs/dbraw/zinc/99/96/05/1201999605.db2.gz UAWNNRNJOQAFSC-NJAFHUGGSA-N 1 2 382.464 0.795 20 30 GCEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC(C)C ZINC001109204198 1202004188 /nfs/dbraw/zinc/00/41/88/1202004188.db2.gz GUZSYKXCTZJCIK-NHAYFPRASA-N 1 2 381.517 0.966 20 30 GCEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC(C)C ZINC001109204198 1202004191 /nfs/dbraw/zinc/00/41/91/1202004191.db2.gz GUZSYKXCTZJCIK-NHAYFPRASA-N 1 2 381.517 0.966 20 30 GCEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109213143 1202004961 /nfs/dbraw/zinc/00/49/61/1202004961.db2.gz MZUKDZYTGHPGDJ-MMMWYMCRSA-N 1 2 380.489 0.517 20 30 GCEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109213143 1202004962 /nfs/dbraw/zinc/00/49/62/1202004962.db2.gz MZUKDZYTGHPGDJ-MMMWYMCRSA-N 1 2 380.489 0.517 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(O)CC1)C2 ZINC001109218307 1202005526 /nfs/dbraw/zinc/00/55/26/1202005526.db2.gz DGRKYGSHVFFAIM-MXPGSBBYSA-N 1 2 378.473 0.271 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(O)CC1)C2 ZINC001109218307 1202005529 /nfs/dbraw/zinc/00/55/29/1202005529.db2.gz DGRKYGSHVFFAIM-MXPGSBBYSA-N 1 2 378.473 0.271 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(OCC)C1)C2 ZINC001109232815 1202006489 /nfs/dbraw/zinc/00/64/89/1202006489.db2.gz WKXHZYUVLLJUKH-MXPGSBBYSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(OCC)C1)C2 ZINC001109232815 1202006492 /nfs/dbraw/zinc/00/64/92/1202006492.db2.gz WKXHZYUVLLJUKH-MXPGSBBYSA-N 1 2 378.473 0.535 20 30 GCEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCCC ZINC001109262684 1202011330 /nfs/dbraw/zinc/01/13/30/1202011330.db2.gz PZCYCZLEPKGGHH-PMPSAXMXSA-N 1 2 378.473 0.374 20 30 GCEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCCC ZINC001109262684 1202011331 /nfs/dbraw/zinc/01/13/31/1202011331.db2.gz PZCYCZLEPKGGHH-PMPSAXMXSA-N 1 2 378.473 0.374 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1-c1ccco1)C2 ZINC001109263336 1202011779 /nfs/dbraw/zinc/01/17/79/1202011779.db2.gz BCZKUILNFVSFQL-KBMXLJTQSA-N 1 2 381.436 0.765 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1-c1ccco1)C2 ZINC001109263336 1202011781 /nfs/dbraw/zinc/01/17/81/1202011781.db2.gz BCZKUILNFVSFQL-KBMXLJTQSA-N 1 2 381.436 0.765 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1CC(F)F)C2 ZINC001109293099 1202014493 /nfs/dbraw/zinc/01/44/93/1202014493.db2.gz VXDDPFROTOHVRU-CRWXNKLISA-N 1 2 379.411 0.621 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1CC(F)F)C2 ZINC001109293099 1202014495 /nfs/dbraw/zinc/01/44/95/1202014495.db2.gz VXDDPFROTOHVRU-CRWXNKLISA-N 1 2 379.411 0.621 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)CC ZINC001109304161 1202018076 /nfs/dbraw/zinc/01/80/76/1202018076.db2.gz NGCJEQNPACFSCQ-NRKLIOEPSA-N 1 2 385.530 0.628 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)CC ZINC001109304161 1202018078 /nfs/dbraw/zinc/01/80/78/1202018078.db2.gz NGCJEQNPACFSCQ-NRKLIOEPSA-N 1 2 385.530 0.628 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCOC ZINC001109304347 1202018841 /nfs/dbraw/zinc/01/88/41/1202018841.db2.gz WYXWMPUSICJZKG-ZBRFXRBCSA-N 1 2 379.501 0.842 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCOC ZINC001109304347 1202018843 /nfs/dbraw/zinc/01/88/43/1202018843.db2.gz WYXWMPUSICJZKG-ZBRFXRBCSA-N 1 2 379.501 0.842 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)CC)C2 ZINC001109316022 1202019469 /nfs/dbraw/zinc/01/94/69/1202019469.db2.gz PLLSVRNCCFPDEJ-QZWWFDLISA-N 1 2 376.501 0.801 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)CC)C2 ZINC001109316022 1202019471 /nfs/dbraw/zinc/01/94/71/1202019471.db2.gz PLLSVRNCCFPDEJ-QZWWFDLISA-N 1 2 376.501 0.801 20 30 GCEDLO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109315884 1202019483 /nfs/dbraw/zinc/01/94/83/1202019483.db2.gz JPXVLEWAFGWGNR-FXUDXRNXSA-N 1 2 375.473 0.139 20 30 GCEDLO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109315884 1202019486 /nfs/dbraw/zinc/01/94/86/1202019486.db2.gz JPXVLEWAFGWGNR-FXUDXRNXSA-N 1 2 375.473 0.139 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)OCC(=O)N3)C2 ZINC001109404715 1202039004 /nfs/dbraw/zinc/03/90/04/1202039004.db2.gz IOCRQJXJNDTKHU-KBMXLJTQSA-N 1 2 382.420 0.102 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)OCC(=O)N3)C2 ZINC001109404715 1202039006 /nfs/dbraw/zinc/03/90/06/1202039006.db2.gz IOCRQJXJNDTKHU-KBMXLJTQSA-N 1 2 382.420 0.102 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1C(F)F)C2 ZINC001109410848 1202039653 /nfs/dbraw/zinc/03/96/53/1202039653.db2.gz YHURRZCBURBLSB-XCCSTKFXSA-N 1 2 379.411 0.831 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1C(F)F)C2 ZINC001109410848 1202039656 /nfs/dbraw/zinc/03/96/56/1202039656.db2.gz YHURRZCBURBLSB-XCCSTKFXSA-N 1 2 379.411 0.831 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1NC(=O)CO3)C2 ZINC001109410701 1202039792 /nfs/dbraw/zinc/03/97/92/1202039792.db2.gz QPWJNEAOULHODI-SNPRPXQTSA-N 1 2 382.420 0.102 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1NC(=O)CO3)C2 ZINC001109410701 1202039795 /nfs/dbraw/zinc/03/97/95/1202039795.db2.gz QPWJNEAOULHODI-SNPRPXQTSA-N 1 2 382.420 0.102 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3nccnc3c1)C2 ZINC001109411688 1202040126 /nfs/dbraw/zinc/04/01/26/1202040126.db2.gz HSKCLEQGCROLJK-UTXMOHQDSA-N 1 2 378.436 0.498 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3nccnc3c1)C2 ZINC001109411688 1202040127 /nfs/dbraw/zinc/04/01/27/1202040127.db2.gz HSKCLEQGCROLJK-UTXMOHQDSA-N 1 2 378.436 0.498 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)C2 ZINC001109420926 1202045541 /nfs/dbraw/zinc/04/55/41/1202045541.db2.gz USYDFBFFTUMRGR-YCPHGPKFSA-N 1 2 382.420 0.102 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)NC(=O)CO3)C2 ZINC001109420926 1202045543 /nfs/dbraw/zinc/04/55/43/1202045543.db2.gz USYDFBFFTUMRGR-YCPHGPKFSA-N 1 2 382.420 0.102 20 30 GCEDLO CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000769165153 1202048847 /nfs/dbraw/zinc/04/88/47/1202048847.db2.gz ZXCCDHBNNREXTB-IRXDYDNUSA-N 1 2 379.505 0.889 20 30 GCEDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000769165153 1202048850 /nfs/dbraw/zinc/04/88/50/1202048850.db2.gz ZXCCDHBNNREXTB-IRXDYDNUSA-N 1 2 379.505 0.889 20 30 GCEDLO CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000769165154 1202048946 /nfs/dbraw/zinc/04/89/46/1202048946.db2.gz ZXCCDHBNNREXTB-SJORKVTESA-N 1 2 379.505 0.889 20 30 GCEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000769165154 1202048951 /nfs/dbraw/zinc/04/89/51/1202048951.db2.gz ZXCCDHBNNREXTB-SJORKVTESA-N 1 2 379.505 0.889 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn(-c3ccccc3)n1)C2 ZINC001109433496 1202049140 /nfs/dbraw/zinc/04/91/40/1202049140.db2.gz QICAMIXGLKUVBM-IKGGRYGDSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn(-c3ccccc3)n1)C2 ZINC001109433496 1202049145 /nfs/dbraw/zinc/04/91/45/1202049145.db2.gz QICAMIXGLKUVBM-IKGGRYGDSA-N 1 2 380.452 0.905 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccncc1)C2 ZINC001109483293 1202060955 /nfs/dbraw/zinc/06/09/55/1202060955.db2.gz XESHWIDHZFPNDB-PVAVHDDUSA-N 1 2 378.436 0.556 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccncc1)C2 ZINC001109483293 1202060957 /nfs/dbraw/zinc/06/09/57/1202060957.db2.gz XESHWIDHZFPNDB-PVAVHDDUSA-N 1 2 378.436 0.556 20 30 GCEDLO Cc1nn(C)c(Cl)c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109486955 1202061889 /nfs/dbraw/zinc/06/18/89/1202061889.db2.gz ALMCSNLLXGVNFR-XBFCOCLRSA-N 1 2 378.864 0.286 20 30 GCEDLO Cc1nn(C)c(Cl)c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109486955 1202061893 /nfs/dbraw/zinc/06/18/93/1202061893.db2.gz ALMCSNLLXGVNFR-XBFCOCLRSA-N 1 2 378.864 0.286 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnc3ccccc31)C2 ZINC001109501232 1202067515 /nfs/dbraw/zinc/06/75/15/1202067515.db2.gz RIGMZWWMHATITC-AYBZRNKSSA-N 1 2 379.464 0.897 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnc3ccccc31)C2 ZINC001109501232 1202067518 /nfs/dbraw/zinc/06/75/18/1202067518.db2.gz RIGMZWWMHATITC-AYBZRNKSSA-N 1 2 379.464 0.897 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001109537274 1202075205 /nfs/dbraw/zinc/07/52/05/1202075205.db2.gz HAHALWYERPERHX-XFTNPXJESA-N 1 2 386.496 0.893 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001109537274 1202075207 /nfs/dbraw/zinc/07/52/07/1202075207.db2.gz HAHALWYERPERHX-XFTNPXJESA-N 1 2 386.496 0.893 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(OC)n1)C2 ZINC001109564202 1202081500 /nfs/dbraw/zinc/08/15/00/1202081500.db2.gz HELSHZZWFOBIIU-IPYPFGDCSA-N 1 2 375.429 0.780 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(OC)n1)C2 ZINC001109564202 1202081502 /nfs/dbraw/zinc/08/15/02/1202081502.db2.gz HELSHZZWFOBIIU-IPYPFGDCSA-N 1 2 375.429 0.780 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cncn3)nc1)C2 ZINC001109579131 1202083636 /nfs/dbraw/zinc/08/36/36/1202083636.db2.gz DNSDDQGXSRSDHB-PMPSAXMXSA-N 1 2 381.440 0.300 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cncn3)nc1)C2 ZINC001109579131 1202083637 /nfs/dbraw/zinc/08/36/37/1202083637.db2.gz DNSDDQGXSRSDHB-PMPSAXMXSA-N 1 2 381.440 0.300 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 ZINC001109582099 1202084504 /nfs/dbraw/zinc/08/45/04/1202084504.db2.gz FVBAIUGYCXJSJJ-IKGGRYGDSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 ZINC001109582099 1202084507 /nfs/dbraw/zinc/08/45/07/1202084507.db2.gz FVBAIUGYCXJSJJ-IKGGRYGDSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1-n1cccn1)C2 ZINC001109584446 1202084920 /nfs/dbraw/zinc/08/49/20/1202084920.db2.gz JNRLHYUQEHYGDQ-PVAVHDDUSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1-n1cccn1)C2 ZINC001109584446 1202084921 /nfs/dbraw/zinc/08/49/21/1202084921.db2.gz JNRLHYUQEHYGDQ-PVAVHDDUSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc(C)n(C)c3c1)C2 ZINC001109591104 1202087000 /nfs/dbraw/zinc/08/70/00/1202087000.db2.gz QSYQPUXGKUBHQA-NJAFHUGGSA-N 1 2 379.464 0.966 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc(C)n(C)c3c1)C2 ZINC001109591104 1202087002 /nfs/dbraw/zinc/08/70/02/1202087002.db2.gz QSYQPUXGKUBHQA-NJAFHUGGSA-N 1 2 379.464 0.966 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)OC)C2 ZINC001109692270 1202105679 /nfs/dbraw/zinc/10/56/79/1202105679.db2.gz QWCLNGLDCVIQOG-UGUYLWEFSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)OC)C2 ZINC001109692270 1202105680 /nfs/dbraw/zinc/10/56/80/1202105680.db2.gz QWCLNGLDCVIQOG-UGUYLWEFSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cccn3)ccn1)C2 ZINC001109709333 1202107002 /nfs/dbraw/zinc/10/70/02/1202107002.db2.gz IWGIGXYJOKXMJS-HFTRVMKXSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cccn3)ccn1)C2 ZINC001109709333 1202107003 /nfs/dbraw/zinc/10/70/03/1202107003.db2.gz IWGIGXYJOKXMJS-HFTRVMKXSA-N 1 2 380.452 0.905 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCC ZINC001109735442 1202115052 /nfs/dbraw/zinc/11/50/52/1202115052.db2.gz GWLUDEKROHJFJN-OWYFMNJBSA-N 1 2 378.473 0.535 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCC ZINC001109735442 1202115053 /nfs/dbraw/zinc/11/50/53/1202115053.db2.gz GWLUDEKROHJFJN-OWYFMNJBSA-N 1 2 378.473 0.535 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[nH]c3ccccc31)C2 ZINC001109764530 1202119886 /nfs/dbraw/zinc/11/98/86/1202119886.db2.gz GPIBPLQRPXZJFZ-INWMFGNUSA-N 1 2 382.424 0.103 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[nH]c3ccccc31)C2 ZINC001109764530 1202119887 /nfs/dbraw/zinc/11/98/87/1202119887.db2.gz GPIBPLQRPXZJFZ-INWMFGNUSA-N 1 2 382.424 0.103 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnnn1-c1ccccc1)C2 ZINC001109767618 1202120343 /nfs/dbraw/zinc/12/03/43/1202120343.db2.gz CSDBPLJLFPEUON-IKGGRYGDSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnnn1-c1ccccc1)C2 ZINC001109767618 1202120347 /nfs/dbraw/zinc/12/03/47/1202120347.db2.gz CSDBPLJLFPEUON-IKGGRYGDSA-N 1 2 378.436 0.352 20 30 GCEDLO C=CC[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccncc1 ZINC000746432827 1202128615 /nfs/dbraw/zinc/12/86/15/1202128615.db2.gz MBUTXUHLXBIKBI-SFHVURJKSA-N 1 2 398.467 0.982 20 30 GCEDLO CC(=O)N1CCCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109834367 1202132414 /nfs/dbraw/zinc/13/24/14/1202132414.db2.gz ZBQCHLQLLPXQMU-YVSFHVDLSA-N 1 2 375.473 0.139 20 30 GCEDLO CC(=O)N1CCCC[C@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109834367 1202132415 /nfs/dbraw/zinc/13/24/15/1202132415.db2.gz ZBQCHLQLLPXQMU-YVSFHVDLSA-N 1 2 375.473 0.139 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1NC(=O)c3ccccc31)C2 ZINC001109868409 1202140704 /nfs/dbraw/zinc/14/07/04/1202140704.db2.gz PDIXLMNEUGYFQM-ZSGPHXLJSA-N 1 2 380.448 0.332 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1NC(=O)c3ccccc31)C2 ZINC001109868409 1202140706 /nfs/dbraw/zinc/14/07/06/1202140706.db2.gz PDIXLMNEUGYFQM-ZSGPHXLJSA-N 1 2 380.448 0.332 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCCOC1)C2 ZINC001109891579 1202144110 /nfs/dbraw/zinc/14/41/10/1202144110.db2.gz OVSCRNSOYPNBMM-MMMWYMCRSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CCCOC1)C2 ZINC001109891579 1202144113 /nfs/dbraw/zinc/14/41/13/1202144113.db2.gz OVSCRNSOYPNBMM-MMMWYMCRSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCCOC1)C2 ZINC001109891580 1202144237 /nfs/dbraw/zinc/14/42/37/1202144237.db2.gz OVSCRNSOYPNBMM-QZNHQWIBSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CCCOC1)C2 ZINC001109891580 1202144238 /nfs/dbraw/zinc/14/42/38/1202144238.db2.gz OVSCRNSOYPNBMM-QZNHQWIBSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001109896342 1202144562 /nfs/dbraw/zinc/14/45/62/1202144562.db2.gz QGRZNQRNKRDUHO-USZNOCQGSA-N 1 2 376.379 0.077 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001109896342 1202144564 /nfs/dbraw/zinc/14/45/64/1202144564.db2.gz QGRZNQRNKRDUHO-USZNOCQGSA-N 1 2 376.379 0.077 20 30 GCEDLO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109966208 1202164002 /nfs/dbraw/zinc/16/40/02/1202164002.db2.gz HUHDXSOFDAERQO-KBXIAJHMSA-N 1 2 377.489 0.289 20 30 GCEDLO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109966208 1202164004 /nfs/dbraw/zinc/16/40/04/1202164004.db2.gz HUHDXSOFDAERQO-KBXIAJHMSA-N 1 2 377.489 0.289 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C2 ZINC001109966502 1202164163 /nfs/dbraw/zinc/16/41/63/1202164163.db2.gz TZNJOHLXCTVEOA-FZKCQIBNSA-N 1 2 378.517 0.951 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C2 ZINC001109966502 1202164164 /nfs/dbraw/zinc/16/41/64/1202164164.db2.gz TZNJOHLXCTVEOA-FZKCQIBNSA-N 1 2 378.517 0.951 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ncon3)cc1)C2 ZINC001109992163 1202169641 /nfs/dbraw/zinc/16/96/41/1202169641.db2.gz HEQJMISFHRPKGI-IKGGRYGDSA-N 1 2 379.420 0.821 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3ncon3)cc1)C2 ZINC001109992163 1202169644 /nfs/dbraw/zinc/16/96/44/1202169644.db2.gz HEQJMISFHRPKGI-IKGGRYGDSA-N 1 2 379.420 0.821 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)c3ccccc31)C2 ZINC001110014863 1202175162 /nfs/dbraw/zinc/17/51/62/1202175162.db2.gz MHTLHSRJYYEGCX-KCXAZCMYSA-N 1 2 379.420 0.420 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]c(=O)c3ccccc31)C2 ZINC001110014863 1202175166 /nfs/dbraw/zinc/17/51/66/1202175166.db2.gz MHTLHSRJYYEGCX-KCXAZCMYSA-N 1 2 379.420 0.420 20 30 GCEDLO C[C@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000787759839 1205400800 /nfs/dbraw/zinc/40/08/00/1205400800.db2.gz PHDUQRDLMTURAM-GOEBONIOSA-N 1 2 381.440 0.788 20 30 GCEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000787775921 1205402602 /nfs/dbraw/zinc/40/26/02/1205402602.db2.gz BUACWEWXMZJJRL-QGZVFWFLSA-N 1 2 378.436 0.784 20 30 GCEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000787775921 1205402605 /nfs/dbraw/zinc/40/26/05/1205402605.db2.gz BUACWEWXMZJJRL-QGZVFWFLSA-N 1 2 378.436 0.784 20 30 GCEDLO C#C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000788009680 1205411517 /nfs/dbraw/zinc/41/15/17/1205411517.db2.gz DLQCMGKNZSVUCB-MOPGFXCFSA-N 1 2 384.480 0.222 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)N(C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000788378842 1205421025 /nfs/dbraw/zinc/42/10/25/1205421025.db2.gz TVWSDAYZSDKJGY-FOIQADDNSA-N 1 2 385.468 0.935 20 30 GCEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cc1 ZINC000746812292 1205440075 /nfs/dbraw/zinc/44/00/75/1205440075.db2.gz ULHQBWDWSNWFJK-HNNXBMFYSA-N 1 2 387.436 0.733 20 30 GCEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[NH2+][C@H](c4cnn(C)c4)C3)CC2)o1 ZINC001170112203 1205444444 /nfs/dbraw/zinc/44/44/44/1205444444.db2.gz MNIIUWFVRVUGPP-KRWDZBQOSA-N 1 2 383.456 0.978 20 30 GCEDLO N#Cc1ccc(CN2C(=O)CN(C[N@H+]3CC[C@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000790454854 1205465301 /nfs/dbraw/zinc/46/53/01/1205465301.db2.gz UXVFPAQXAOSULX-KRWDZBQOSA-N 1 2 381.436 0.977 20 30 GCEDLO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000790454854 1205465302 /nfs/dbraw/zinc/46/53/02/1205465302.db2.gz UXVFPAQXAOSULX-KRWDZBQOSA-N 1 2 381.436 0.977 20 30 GCEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1=O ZINC000790455707 1205465317 /nfs/dbraw/zinc/46/53/17/1205465317.db2.gz KOFOUHHFSPYNLE-OXJNMPFZSA-N 1 2 381.436 0.979 20 30 GCEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2CC[C@H](N3CCCC3=O)C2)C1=O ZINC000790455707 1205465318 /nfs/dbraw/zinc/46/53/18/1205465318.db2.gz KOFOUHHFSPYNLE-OXJNMPFZSA-N 1 2 381.436 0.979 20 30 GCEDLO C#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000792298092 1205486132 /nfs/dbraw/zinc/48/61/32/1205486132.db2.gz HPRNJCBACQAVLP-UHFFFAOYSA-N 1 2 377.466 0.287 20 30 GCEDLO C#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000792298092 1205486133 /nfs/dbraw/zinc/48/61/33/1205486133.db2.gz HPRNJCBACQAVLP-UHFFFAOYSA-N 1 2 377.466 0.287 20 30 GCEDLO COC(=O)c1cn([C@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)nn1 ZINC000793510972 1205499608 /nfs/dbraw/zinc/49/96/08/1205499608.db2.gz GQURQSMPPROVNI-AWEZNQCLSA-N 1 2 382.424 0.881 20 30 GCEDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)nn1 ZINC000793510972 1205499609 /nfs/dbraw/zinc/49/96/09/1205499609.db2.gz GQURQSMPPROVNI-AWEZNQCLSA-N 1 2 382.424 0.881 20 30 GCEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793504250 1205500011 /nfs/dbraw/zinc/50/00/11/1205500011.db2.gz LHECJOPAKGKZSV-UHFFFAOYSA-N 1 2 388.468 0.363 20 30 GCEDLO N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)nc1 ZINC000793717182 1205503431 /nfs/dbraw/zinc/50/34/31/1205503431.db2.gz HNWRVYXVJQYYSK-UHFFFAOYSA-N 1 2 389.419 0.983 20 30 GCEDLO C#CCNc1nc(N(C)CC2(O)CCCC2)nc(N(C)CC2(O)CCCC2)[nH+]1 ZINC000804568415 1205518051 /nfs/dbraw/zinc/51/80/51/1205518051.db2.gz ILPGLVBAOABHND-UHFFFAOYSA-N 1 2 388.516 0.821 20 30 GCEDLO C#CCNc1nc(N(C)CC2(O)CCCC2)[nH+]c(N(C)CC2(O)CCCC2)n1 ZINC000804568415 1205518053 /nfs/dbraw/zinc/51/80/53/1205518053.db2.gz ILPGLVBAOABHND-UHFFFAOYSA-N 1 2 388.516 0.821 20 30 GCEDLO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]23C[C@H]2COC3)n[nH]1 ZINC001130209621 1205536556 /nfs/dbraw/zinc/53/65/56/1205536556.db2.gz HPSQQGAZVAJPFW-MRHIQRDNSA-N 1 2 381.864 0.672 20 30 GCEDLO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2CC)n[nH]1 ZINC001130229761 1205538747 /nfs/dbraw/zinc/53/87/47/1205538747.db2.gz DPPRSPZNQHBUQW-FZKCQIBNSA-N 1 2 375.473 0.721 20 30 GCEDLO C=CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2CC)n[nH]1 ZINC001130238011 1205539112 /nfs/dbraw/zinc/53/91/12/1205539112.db2.gz OEVUWCCYBMSQMN-BARDWOONSA-N 1 2 390.488 0.231 20 30 GCEDLO C[N@@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000807509348 1205583166 /nfs/dbraw/zinc/58/31/66/1205583166.db2.gz HOSTYKRPZSUEEF-ZDUSSCGKSA-N 1 2 392.464 0.000 20 30 GCEDLO C[N@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000807509348 1205583167 /nfs/dbraw/zinc/58/31/67/1205583167.db2.gz HOSTYKRPZSUEEF-ZDUSSCGKSA-N 1 2 392.464 0.000 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1C#N ZINC000809501432 1205626555 /nfs/dbraw/zinc/62/65/55/1205626555.db2.gz JFKGSQLYXYZERP-QGZVFWFLSA-N 1 2 386.452 0.506 20 30 GCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ncccc1C#N ZINC000810200554 1205634907 /nfs/dbraw/zinc/63/49/07/1205634907.db2.gz HBADUGDPMDZAMQ-INIZCTEOSA-N 1 2 383.456 0.978 20 30 GCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ncccc1C#N ZINC000810200554 1205634908 /nfs/dbraw/zinc/63/49/08/1205634908.db2.gz HBADUGDPMDZAMQ-INIZCTEOSA-N 1 2 383.456 0.978 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C1 ZINC000813837364 1205680972 /nfs/dbraw/zinc/68/09/72/1205680972.db2.gz JVXUPWBSAKVUBI-CQSZACIVSA-N 1 2 389.460 0.303 20 30 GCEDLO N#C[C@@H]1C[NH2+]CCN1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173696019 1205726798 /nfs/dbraw/zinc/72/67/98/1205726798.db2.gz OVSWCXRKYOOHGH-CQSZACIVSA-N 1 2 379.442 0.545 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001110186062 1205737549 /nfs/dbraw/zinc/73/75/49/1205737549.db2.gz UNTGOQVYPJMYMN-KBXIAJHMSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001110186062 1205737551 /nfs/dbraw/zinc/73/75/51/1205737551.db2.gz UNTGOQVYPJMYMN-KBXIAJHMSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176379973 1205746345 /nfs/dbraw/zinc/74/63/45/1205746345.db2.gz NIKXFCQSKPXDLW-MSOLQXFVSA-N 1 2 384.436 0.914 20 30 GCEDLO C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176379973 1205746348 /nfs/dbraw/zinc/74/63/48/1205746348.db2.gz NIKXFCQSKPXDLW-MSOLQXFVSA-N 1 2 384.436 0.914 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC(C)C)C2 ZINC001110196968 1205754277 /nfs/dbraw/zinc/75/42/77/1205754277.db2.gz DSGHRZYHRMLVTR-PMPSAXMXSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC(C)C)C2 ZINC001110196968 1205754279 /nfs/dbraw/zinc/75/42/79/1205754279.db2.gz DSGHRZYHRMLVTR-PMPSAXMXSA-N 1 2 380.489 0.925 20 30 GCEDLO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1N ZINC001176958656 1205758834 /nfs/dbraw/zinc/75/88/34/1205758834.db2.gz RQJVKLZWLUQGHL-GFCCVEGCSA-N 1 2 378.440 0.934 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnn3)c1)C2 ZINC001110203894 1205766589 /nfs/dbraw/zinc/76/65/89/1205766589.db2.gz TZVGOQKBABYNPB-NJAFHUGGSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnn3)c1)C2 ZINC001110203894 1205766591 /nfs/dbraw/zinc/76/65/91/1205766591.db2.gz TZVGOQKBABYNPB-NJAFHUGGSA-N 1 2 380.452 0.905 20 30 GCEDLO CO/N=C(\C(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC)c1ccco1 ZINC001177350973 1205768230 /nfs/dbraw/zinc/76/82/30/1205768230.db2.gz KPQFFJOPTMPPGN-CZRXGCSLSA-N 1 2 393.440 0.885 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000773784231 1205796631 /nfs/dbraw/zinc/79/66/31/1205796631.db2.gz AZXCIGVMYCIULO-WMZOPIPTSA-N 1 2 398.463 0.310 20 30 GCEDLO COCCOc1cc(C#N)c(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1OCCOC ZINC001180763084 1205832600 /nfs/dbraw/zinc/83/26/00/1205832600.db2.gz XDELYZPLWXCAES-SFHVURJKSA-N 1 2 393.440 0.878 20 30 GCEDLO COCCOc1cc(C#N)c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1OCCOC ZINC001180763084 1205832602 /nfs/dbraw/zinc/83/26/02/1205832602.db2.gz XDELYZPLWXCAES-SFHVURJKSA-N 1 2 393.440 0.878 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOC(C)C)C2 ZINC001111504213 1205858405 /nfs/dbraw/zinc/85/84/05/1205858405.db2.gz DSGHRZYHRMLVTR-OAGGEKHMSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOC(C)C)C2 ZINC001111504213 1205858407 /nfs/dbraw/zinc/85/84/07/1205858407.db2.gz DSGHRZYHRMLVTR-OAGGEKHMSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)no1)C2 ZINC001110278842 1205864804 /nfs/dbraw/zinc/86/48/04/1205864804.db2.gz FVXIRNMLZHEFRR-DGAVXFQQSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)no1)C2 ZINC001110278842 1205864806 /nfs/dbraw/zinc/86/48/06/1205864806.db2.gz FVXIRNMLZHEFRR-DGAVXFQQSA-N 1 2 375.429 0.718 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN(C)C(C)=O)C3)c1 ZINC001110304011 1205871115 /nfs/dbraw/zinc/87/11/15/1205871115.db2.gz JAMPWBLKAGZRAF-QRVBRYPASA-N 1 2 382.464 0.806 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CN(C)C(C)=O)C3)c1 ZINC001110304011 1205871117 /nfs/dbraw/zinc/87/11/17/1205871117.db2.gz JAMPWBLKAGZRAF-QRVBRYPASA-N 1 2 382.464 0.806 20 30 GCEDLO CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC001182976148 1205885111 /nfs/dbraw/zinc/88/51/11/1205885111.db2.gz FWOZNCMLEWOYSV-ULQDDVLXSA-N 1 2 396.532 0.221 20 30 GCEDLO CCOC(=O)[C@@H](C#N)NC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184360827 1205908301 /nfs/dbraw/zinc/90/83/01/1205908301.db2.gz RTZJIJCZGUMTGF-CQSZACIVSA-N 1 2 387.392 0.810 20 30 GCEDLO CCOC(=O)[C@@H](C#N)NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184360827 1205908302 /nfs/dbraw/zinc/90/83/02/1205908302.db2.gz RTZJIJCZGUMTGF-CQSZACIVSA-N 1 2 387.392 0.810 20 30 GCEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1 ZINC001184380821 1205908839 /nfs/dbraw/zinc/90/88/39/1205908839.db2.gz ONAWMODZGWLZAQ-HZPDHXFCSA-N 1 2 397.391 0.517 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCCO1 ZINC000774855067 1205920760 /nfs/dbraw/zinc/92/07/60/1205920760.db2.gz ASZVXDDHHZTEQF-CEXWTWQISA-N 1 2 385.464 0.301 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCCO1 ZINC000774855067 1205920762 /nfs/dbraw/zinc/92/07/62/1205920762.db2.gz ASZVXDDHHZTEQF-CEXWTWQISA-N 1 2 385.464 0.301 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCC1CC1)C2 ZINC001110360563 1205921104 /nfs/dbraw/zinc/92/11/04/1205921104.db2.gz DVDGCDHLSXAZMT-MIGQKNRLSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCC1CC1)C2 ZINC001110360563 1205921105 /nfs/dbraw/zinc/92/11/05/1205921105.db2.gz DVDGCDHLSXAZMT-MIGQKNRLSA-N 1 2 378.473 0.535 20 30 GCEDLO COCCOc1cc(C#N)c(NC(=O)C[N@@H+]2CC[C@@H](O)C2)cc1OCCOC ZINC001186049215 1205934203 /nfs/dbraw/zinc/93/42/03/1205934203.db2.gz RANZGTVVUMBQJH-OAHLLOKOSA-N 1 2 393.440 0.614 20 30 GCEDLO COCCOc1cc(C#N)c(NC(=O)C[N@H+]2CC[C@@H](O)C2)cc1OCCOC ZINC001186049215 1205934204 /nfs/dbraw/zinc/93/42/04/1205934204.db2.gz RANZGTVVUMBQJH-OAHLLOKOSA-N 1 2 393.440 0.614 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)on1)C2 ZINC001110397365 1205973811 /nfs/dbraw/zinc/97/38/11/1205973811.db2.gz FLQGHTCVTGOTQV-KFWWJZLASA-N 1 2 375.429 0.259 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)on1)C2 ZINC001110397365 1205973812 /nfs/dbraw/zinc/97/38/12/1205973812.db2.gz FLQGHTCVTGOTQV-KFWWJZLASA-N 1 2 375.429 0.259 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)c1ccccc1 ZINC001110401949 1205991100 /nfs/dbraw/zinc/99/11/00/1205991100.db2.gz SLJIPFDFSQSREH-SRABZTEZSA-N 1 2 376.482 0.846 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)c1ccccc1 ZINC001110401949 1205991103 /nfs/dbraw/zinc/99/11/03/1205991103.db2.gz SLJIPFDFSQSREH-SRABZTEZSA-N 1 2 376.482 0.846 20 30 GCEDLO N#Cc1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1F ZINC001190554869 1206038084 /nfs/dbraw/zinc/03/80/84/1206038084.db2.gz MXTRUBDSMXGPSC-GJZGRUSLSA-N 1 2 398.398 0.238 20 30 GCEDLO N#Cc1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1F ZINC001190554869 1206038089 /nfs/dbraw/zinc/03/80/89/1206038089.db2.gz MXTRUBDSMXGPSC-GJZGRUSLSA-N 1 2 398.398 0.238 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(Cl)nc3C#N)CC2)C1=O ZINC001164634742 719270287 /nfs/dbraw/zinc/27/02/87/719270287.db2.gz NKPWYGDYUIRKRF-UHFFFAOYSA-N 1 2 378.864 0.761 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(Cl)nc3C#N)CC2)C1=O ZINC001164634742 719270289 /nfs/dbraw/zinc/27/02/89/719270289.db2.gz NKPWYGDYUIRKRF-UHFFFAOYSA-N 1 2 378.864 0.761 20 30 GCEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(F)c1C#N)CC2 ZINC001164708648 719913732 /nfs/dbraw/zinc/91/37/32/719913732.db2.gz FDGPTIJYSFWMAG-UHFFFAOYSA-N 1 2 383.431 0.776 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C#N)ccc3[N+](=O)[O-])C2)C1 ZINC001164718081 720245525 /nfs/dbraw/zinc/24/55/25/720245525.db2.gz CCKBKAYQGKSPCL-SFHVURJKSA-N 1 2 388.428 0.526 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C#N)ccc3[N+](=O)[O-])C2)C1 ZINC001164718081 720245538 /nfs/dbraw/zinc/24/55/38/720245538.db2.gz CCKBKAYQGKSPCL-SFHVURJKSA-N 1 2 388.428 0.526 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164723226 720272207 /nfs/dbraw/zinc/27/22/07/720272207.db2.gz UWYDPIFAZYRJEU-IBGZPJMESA-N 1 2 383.456 0.494 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164723226 720272217 /nfs/dbraw/zinc/27/22/17/720272217.db2.gz UWYDPIFAZYRJEU-IBGZPJMESA-N 1 2 383.456 0.494 20 30 GCEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccnc1C#N)C2 ZINC001164822484 720429886 /nfs/dbraw/zinc/42/98/86/720429886.db2.gz CHLJJTWAZPWNER-OAHLLOKOSA-N 1 2 383.456 0.534 20 30 GCEDLO Cc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(C#N)n1 ZINC001164832682 720468234 /nfs/dbraw/zinc/46/82/34/720468234.db2.gz VNTGLNUUZIMRLK-MRXNPFEDSA-N 1 2 397.483 0.843 20 30 GCEDLO N#CCCN(CCC(=O)Nc1ccccc1-c1nn[nH]n1)CC[NH+]1CCOCC1 ZINC000822810046 946194828 /nfs/dbraw/zinc/19/48/28/946194828.db2.gz AMNQYMYNPMVCNB-UHFFFAOYSA-N 1 2 398.471 0.743 20 30 GCEDLO N#CCC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)CCN1CCOCC1 ZINC000822810046 946194839 /nfs/dbraw/zinc/19/48/39/946194839.db2.gz AMNQYMYNPMVCNB-UHFFFAOYSA-N 1 2 398.471 0.743 20 30 GCEDLO N#CCC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)CCN1CCOCC1 ZINC000822810046 946194847 /nfs/dbraw/zinc/19/48/47/946194847.db2.gz AMNQYMYNPMVCNB-UHFFFAOYSA-N 1 2 398.471 0.743 20 30 GCEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573291816 946923506 /nfs/dbraw/zinc/92/35/06/946923506.db2.gz JRJMUYACXGZOJF-IAZYJMLFSA-N 1 2 378.234 0.763 20 30 GCEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573291816 946923517 /nfs/dbraw/zinc/92/35/17/946923517.db2.gz JRJMUYACXGZOJF-IAZYJMLFSA-N 1 2 378.234 0.763 20 30 GCEDLO C=C(Cl)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573294598 946991836 /nfs/dbraw/zinc/99/18/36/946991836.db2.gz DLLBTORWIJKWQB-CYBMUJFWSA-N 1 2 379.852 0.846 20 30 GCEDLO C=C(Cl)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573294598 946991845 /nfs/dbraw/zinc/99/18/45/946991845.db2.gz DLLBTORWIJKWQB-CYBMUJFWSA-N 1 2 379.852 0.846 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001573564760 946997769 /nfs/dbraw/zinc/99/77/69/946997769.db2.gz KHNPHVDJZQXDQD-UKRRQHHQSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001573565230 947004438 /nfs/dbraw/zinc/00/44/38/947004438.db2.gz PDRIGLQLJKGPKL-UONOGXRCSA-N 1 2 381.444 0.144 20 30 GCEDLO C=C1CC(C)(C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001573295259 947012621 /nfs/dbraw/zinc/01/26/21/947012621.db2.gz CEJHHQDBFFZKID-UHFFFAOYSA-N 1 2 382.472 0.856 20 30 GCEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001573297749 947067676 /nfs/dbraw/zinc/06/76/76/947067676.db2.gz KZFRSDMRXWPLPP-UHFFFAOYSA-N 1 2 389.807 0.463 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001573571064 947098836 /nfs/dbraw/zinc/09/88/36/947098836.db2.gz YDZRZZRIJQBBDS-UONOGXRCSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001573571062 947099718 /nfs/dbraw/zinc/09/97/18/947099718.db2.gz YDZRZZRIJQBBDS-KBPBESRZSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001573577444 947167801 /nfs/dbraw/zinc/16/78/01/947167801.db2.gz POHQKSPYYCKXKJ-DZGCQCFKSA-N 1 2 381.440 0.876 20 30 GCEDLO C[C@H](C#N)C(=O)NCCN1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573583077 947197875 /nfs/dbraw/zinc/19/78/75/947197875.db2.gz IOJYHCXXEVYZFK-CYBMUJFWSA-N 1 2 386.435 0.399 20 30 GCEDLO C[C@@H](C#N)C(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573584504 947225480 /nfs/dbraw/zinc/22/54/80/947225480.db2.gz WYVDZCQLPSUAMU-ZDUSSCGKSA-N 1 2 386.435 0.399 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)c2ccccc2CNC(=O)CSCC#N)CC1 ZINC000265267932 530177903 /nfs/dbraw/zinc/17/79/03/530177903.db2.gz NKCOAGBHOCEBGE-UHFFFAOYSA-N 1 2 382.511 0.496 20 30 GCEDLO N#C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCO1 ZINC000409488397 530229309 /nfs/dbraw/zinc/22/93/09/530229309.db2.gz ZHXCUCUFRABSMX-HNNXBMFYSA-N 1 2 384.889 0.927 20 30 GCEDLO N#C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000409556848 530230108 /nfs/dbraw/zinc/23/01/08/530230108.db2.gz ZONHRWSPWPZPCR-INIZCTEOSA-N 1 2 384.889 0.927 20 30 GCEDLO Cc1cc(Br)cn2cc(CCNC(=O)NCC(=O)NCC#N)[nH+]c12 ZINC000561725846 530282895 /nfs/dbraw/zinc/28/28/95/530282895.db2.gz LONJGCCEOOSCKC-UHFFFAOYSA-N 1 2 393.245 0.887 20 30 GCEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CCO1 ZINC000450910005 530252837 /nfs/dbraw/zinc/25/28/37/530252837.db2.gz JMSMZKHLDQWAPP-LBPRGKRZSA-N 1 2 395.257 0.579 20 30 GCEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CCO1 ZINC000450910005 530252840 /nfs/dbraw/zinc/25/28/40/530252840.db2.gz JMSMZKHLDQWAPP-LBPRGKRZSA-N 1 2 395.257 0.579 20 30 GCEDLO CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000569825503 530312067 /nfs/dbraw/zinc/31/20/67/530312067.db2.gz RTASJJJJMHVSDB-ZDUSSCGKSA-N 1 2 386.499 0.251 20 30 GCEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000570455136 530320128 /nfs/dbraw/zinc/32/01/28/530320128.db2.gz MYUUWXRDACFVDN-OAHLLOKOSA-N 1 2 386.499 0.343 20 30 GCEDLO C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000594629019 530433111 /nfs/dbraw/zinc/43/31/11/530433111.db2.gz WAVMVOZHXGWHJD-ZDUSSCGKSA-N 1 2 386.499 0.203 20 30 GCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330513952 530520820 /nfs/dbraw/zinc/52/08/20/530520820.db2.gz KVHNXHVVJMJWSH-CQSZACIVSA-N 1 2 376.523 0.272 20 30 GCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330513952 530520821 /nfs/dbraw/zinc/52/08/21/530520821.db2.gz KVHNXHVVJMJWSH-CQSZACIVSA-N 1 2 376.523 0.272 20 30 GCEDLO CS(=O)(=O)N1CC[NH+](CCNc2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000587439239 530550979 /nfs/dbraw/zinc/55/09/79/530550979.db2.gz KUDRAZJJDHPMAS-UHFFFAOYSA-N 1 2 382.877 0.848 20 30 GCEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000330728470 530524915 /nfs/dbraw/zinc/52/49/15/530524915.db2.gz GQQSBDMMWXWTSB-SECBINFHSA-N 1 2 388.412 0.323 20 30 GCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000267107709 530572125 /nfs/dbraw/zinc/57/21/25/530572125.db2.gz WNCWYSVWQOTADR-HNNXBMFYSA-N 1 2 385.511 0.593 20 30 GCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000267107709 530572129 /nfs/dbraw/zinc/57/21/29/530572129.db2.gz WNCWYSVWQOTADR-HNNXBMFYSA-N 1 2 385.511 0.593 20 30 GCEDLO N#CC1(C[C@H](O)C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC1 ZINC000528470323 530582764 /nfs/dbraw/zinc/58/27/64/530582764.db2.gz HMUZDMIRCSJMLP-LBPRGKRZSA-N 1 2 384.424 0.492 20 30 GCEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N ZINC000349453876 530637129 /nfs/dbraw/zinc/63/71/29/530637129.db2.gz PCJVWKQKYBKNIM-CHWSQXEVSA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N ZINC000349453876 530637133 /nfs/dbraw/zinc/63/71/33/530637133.db2.gz PCJVWKQKYBKNIM-CHWSQXEVSA-N 1 2 386.499 0.202 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000349466888 530642736 /nfs/dbraw/zinc/64/27/36/530642736.db2.gz RGSLRIUKRPDAGC-KFWWJZLASA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000349466888 530642737 /nfs/dbraw/zinc/64/27/37/530642737.db2.gz RGSLRIUKRPDAGC-KFWWJZLASA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000349466893 530642751 /nfs/dbraw/zinc/64/27/51/530642751.db2.gz RGSLRIUKRPDAGC-SOUVJXGZSA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000349466893 530642752 /nfs/dbraw/zinc/64/27/52/530642752.db2.gz RGSLRIUKRPDAGC-SOUVJXGZSA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000349466894 530642810 /nfs/dbraw/zinc/64/28/10/530642810.db2.gz RGSLRIUKRPDAGC-ZNMIVQPWSA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000349466894 530642812 /nfs/dbraw/zinc/64/28/12/530642812.db2.gz RGSLRIUKRPDAGC-ZNMIVQPWSA-N 1 2 394.563 0.198 20 30 GCEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C(C)(C)C1 ZINC000349477988 530648152 /nfs/dbraw/zinc/64/81/52/530648152.db2.gz GEMUTZBBUKGMPI-UHFFFAOYSA-N 1 2 386.499 0.203 20 30 GCEDLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C(C)(C)C1 ZINC000349477988 530648155 /nfs/dbraw/zinc/64/81/55/530648155.db2.gz GEMUTZBBUKGMPI-UHFFFAOYSA-N 1 2 386.499 0.203 20 30 GCEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1Br ZINC000419678141 530862643 /nfs/dbraw/zinc/86/26/43/530862643.db2.gz NUAIZZQGAPSESX-UHFFFAOYSA-N 1 2 381.230 0.396 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3nc(C#N)c(Cl)s3)CC2)CC1 ZINC000596073530 530929306 /nfs/dbraw/zinc/92/93/06/530929306.db2.gz MHWIPKZSJORSAQ-UHFFFAOYSA-N 1 2 390.922 0.282 20 30 GCEDLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCCC#N ZINC000510775652 530930264 /nfs/dbraw/zinc/93/02/64/530930264.db2.gz FRTUCBXMWQNXAJ-OAHLLOKOSA-N 1 2 379.548 0.841 20 30 GCEDLO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCSC[C@@H]2CO)CC1 ZINC000544135654 531078884 /nfs/dbraw/zinc/07/88/84/531078884.db2.gz KXNLTZBVCMVEDB-GJZGRUSLSA-N 1 2 380.539 0.867 20 30 GCEDLO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2CO)CC1 ZINC000544135654 531078885 /nfs/dbraw/zinc/07/88/85/531078885.db2.gz KXNLTZBVCMVEDB-GJZGRUSLSA-N 1 2 380.539 0.867 20 30 GCEDLO CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000565230587 531182035 /nfs/dbraw/zinc/18/20/35/531182035.db2.gz SJVLFWYVZWWOLH-UHFFFAOYSA-N 1 2 386.499 0.205 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000735380787 598968560 /nfs/dbraw/zinc/96/85/60/598968560.db2.gz IXVINFORQDLMRQ-UHFFFAOYSA-N 1 2 391.439 0.071 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000735380787 598968562 /nfs/dbraw/zinc/96/85/62/598968562.db2.gz IXVINFORQDLMRQ-UHFFFAOYSA-N 1 2 391.439 0.071 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000819722353 606776845 /nfs/dbraw/zinc/77/68/45/606776845.db2.gz HKRPQXBUVVIJNP-AWEZNQCLSA-N 1 2 385.476 0.592 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000819722353 606776846 /nfs/dbraw/zinc/77/68/46/606776846.db2.gz HKRPQXBUVVIJNP-AWEZNQCLSA-N 1 2 385.476 0.592 20 30 GCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000821169720 606782907 /nfs/dbraw/zinc/78/29/07/606782907.db2.gz BYUULMPCMHTDLN-KBPBESRZSA-N 1 2 398.475 0.175 20 30 GCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000821169720 606782908 /nfs/dbraw/zinc/78/29/08/606782908.db2.gz BYUULMPCMHTDLN-KBPBESRZSA-N 1 2 398.475 0.175 20 30 GCEDLO C#CCSCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000888185627 639173527 /nfs/dbraw/zinc/17/35/27/639173527.db2.gz OPKFBUSLNXQIFE-UHFFFAOYSA-N 1 2 382.511 0.016 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000878737394 641599968 /nfs/dbraw/zinc/59/99/68/641599968.db2.gz LMLFAPKJMWEKFM-UHFFFAOYSA-N 1 2 396.289 0.009 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000878737394 641599975 /nfs/dbraw/zinc/59/99/75/641599975.db2.gz LMLFAPKJMWEKFM-UHFFFAOYSA-N 1 2 396.289 0.009 20 30 GCEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000884188098 641777211 /nfs/dbraw/zinc/77/72/11/641777211.db2.gz ZJTXGUMZEZDCPD-ZDUSSCGKSA-N 1 2 397.273 0.939 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000885508356 641807202 /nfs/dbraw/zinc/80/72/02/641807202.db2.gz GNAHYRHNYFIEAY-GFCCVEGCSA-N 1 2 398.286 0.868 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000885508356 641807209 /nfs/dbraw/zinc/80/72/09/641807209.db2.gz GNAHYRHNYFIEAY-GFCCVEGCSA-N 1 2 398.286 0.868 20 30 GCEDLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834494073 642213609 /nfs/dbraw/zinc/21/36/09/642213609.db2.gz JTMBWYCYLKOGDI-GXSJLCMTSA-N 1 2 380.455 0.124 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000857117640 642931013 /nfs/dbraw/zinc/93/10/13/642931013.db2.gz OWQSQUNSSYQLLZ-UHFFFAOYSA-N 1 2 395.257 0.447 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)c[nH]c2=O)CC1 ZINC000857117640 642931017 /nfs/dbraw/zinc/93/10/17/642931017.db2.gz OWQSQUNSSYQLLZ-UHFFFAOYSA-N 1 2 395.257 0.447 20 30 GCEDLO CC(=O)NC1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CC1 ZINC001111513260 1192175787 /nfs/dbraw/zinc/17/57/87/1192175787.db2.gz YSCDDVSPQHDCPQ-YWWDTZIBSA-N 1 2 375.473 0.043 20 30 GCEDLO CC(=O)NC1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CC1 ZINC001111513260 1192175794 /nfs/dbraw/zinc/17/57/94/1192175794.db2.gz YSCDDVSPQHDCPQ-YWWDTZIBSA-N 1 2 375.473 0.043 20 30 GCEDLO N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCCn3cc[nH+]c3)CC2)nc1 ZINC000585683048 1192365456 /nfs/dbraw/zinc/36/54/56/1192365456.db2.gz KDYBAMFKFWPXAL-UHFFFAOYSA-N 1 2 381.440 0.441 20 30 GCEDLO N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000585688909 1192371461 /nfs/dbraw/zinc/37/14/61/1192371461.db2.gz ASZZZPPYKBAWJE-UHFFFAOYSA-N 1 2 383.412 0.085 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000279382240 1192533803 /nfs/dbraw/zinc/53/38/03/1192533803.db2.gz UJDKPPMDEFMBCS-HUUCEWRRSA-N 1 2 394.497 0.404 20 30 GCEDLO CC1(C)OCC(CO)([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CO1 ZINC000279378906 1192534323 /nfs/dbraw/zinc/53/43/23/1192534323.db2.gz XRZITEFXZKWWTP-UHFFFAOYSA-N 1 2 385.424 0.786 20 30 GCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000279513459 1192549636 /nfs/dbraw/zinc/54/96/36/1192549636.db2.gz XOPCHLDZRFGXCM-OAHLLOKOSA-N 1 2 391.472 0.205 20 30 GCEDLO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000549688948 1192849798 /nfs/dbraw/zinc/84/97/98/1192849798.db2.gz SYNVQQKQWDGXHX-UHFFFAOYSA-N 1 2 398.515 0.999 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000784905146 1184129391 /nfs/dbraw/zinc/12/93/91/1184129391.db2.gz BSMMQWVWRSFXCG-KGLIPLIRSA-N 1 2 381.454 0.489 20 30 GCEDLO C[C@H](CC(=O)O[C@H](C)C[NH+]1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000784918650 1184162182 /nfs/dbraw/zinc/16/21/82/1184162182.db2.gz MNCUZUNVBFANDP-ZIAGYGMSSA-N 1 2 395.481 0.768 20 30 GCEDLO CN1CCN(c2cc(N3CCN(c4cc(C#N)ccn4)CC3)[nH+]cn2)CC1=O ZINC000274788286 1184309111 /nfs/dbraw/zinc/30/91/11/1184309111.db2.gz XKUYKFNHAWNNGD-UHFFFAOYSA-N 1 2 378.440 0.348 20 30 GCEDLO CN1CCN(c2cc(N3CCN(c4cc(C#N)ccn4)CC3)nc[nH+]2)CC1=O ZINC000274788286 1184309113 /nfs/dbraw/zinc/30/91/13/1184309113.db2.gz XKUYKFNHAWNNGD-UHFFFAOYSA-N 1 2 378.440 0.348 20 30 GCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000728282547 1185027208 /nfs/dbraw/zinc/02/72/08/1185027208.db2.gz IAZDEDGKQORTSS-UHFFFAOYSA-N 1 2 394.497 0.342 20 30 GCEDLO CC1(C)COCC[N@H+]1CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000728282547 1185027215 /nfs/dbraw/zinc/02/72/15/1185027215.db2.gz IAZDEDGKQORTSS-UHFFFAOYSA-N 1 2 394.497 0.342 20 30 GCEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CNC(=O)c2ccc(C#N)cc2)cn1 ZINC000580595689 1185284967 /nfs/dbraw/zinc/28/49/67/1185284967.db2.gz SLQKAPABVLUCBZ-UHFFFAOYSA-N 1 2 391.435 0.947 20 30 GCEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000261956058 1185292588 /nfs/dbraw/zinc/29/25/88/1185292588.db2.gz GRFUZNKKOJDTAR-CYBMUJFWSA-N 1 2 376.398 0.535 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001111488765 1185303712 /nfs/dbraw/zinc/30/37/12/1185303712.db2.gz UNTGOQVYPJMYMN-TUVASFSCSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001111488765 1185303717 /nfs/dbraw/zinc/30/37/17/1185303717.db2.gz UNTGOQVYPJMYMN-TUVASFSCSA-N 1 2 380.489 0.923 20 30 GCEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000610522249 1185816112 /nfs/dbraw/zinc/81/61/12/1185816112.db2.gz NPLUNIMREOVXEE-LJQANCHMSA-N 1 2 379.468 0.963 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)C1 ZINC000891607603 1185937884 /nfs/dbraw/zinc/93/78/84/1185937884.db2.gz VGINROVGKXJLBI-LLVKDONJSA-N 1 2 379.363 0.904 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)C1 ZINC000891607603 1185937888 /nfs/dbraw/zinc/93/78/88/1185937888.db2.gz VGINROVGKXJLBI-LLVKDONJSA-N 1 2 379.363 0.904 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)C1 ZINC000891604426 1185937998 /nfs/dbraw/zinc/93/79/98/1185937998.db2.gz XZYWLPJHQIHQMZ-UZLBHIALSA-N 1 2 384.436 0.794 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)C1 ZINC000891604426 1185938002 /nfs/dbraw/zinc/93/80/02/1185938002.db2.gz XZYWLPJHQIHQMZ-UZLBHIALSA-N 1 2 384.436 0.794 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000891607720 1185938318 /nfs/dbraw/zinc/93/83/18/1185938318.db2.gz QSCJMGGNLANHIZ-MSOLQXFVSA-N 1 2 398.463 0.956 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000891607720 1185938319 /nfs/dbraw/zinc/93/83/19/1185938319.db2.gz QSCJMGGNLANHIZ-MSOLQXFVSA-N 1 2 398.463 0.956 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000891606341 1185939992 /nfs/dbraw/zinc/93/99/92/1185939992.db2.gz FYQADQZEGOMKEW-QGZVFWFLSA-N 1 2 396.447 0.488 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000891606341 1185939996 /nfs/dbraw/zinc/93/99/96/1185939996.db2.gz FYQADQZEGOMKEW-QGZVFWFLSA-N 1 2 396.447 0.488 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1 ZINC000891607135 1185941129 /nfs/dbraw/zinc/94/11/29/1185941129.db2.gz RDWUJQITJALZEJ-INIZCTEOSA-N 1 2 391.493 0.692 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1 ZINC000891607135 1185941130 /nfs/dbraw/zinc/94/11/30/1185941130.db2.gz RDWUJQITJALZEJ-INIZCTEOSA-N 1 2 391.493 0.692 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000277053456 1186232764 /nfs/dbraw/zinc/23/27/64/1186232764.db2.gz IFSAQJVBBHZLGM-CVEARBPZSA-N 1 2 394.516 0.819 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000277053456 1186232767 /nfs/dbraw/zinc/23/27/67/1186232767.db2.gz IFSAQJVBBHZLGM-CVEARBPZSA-N 1 2 394.516 0.819 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000178471921 1186272974 /nfs/dbraw/zinc/27/29/74/1186272974.db2.gz OWUIOMPHFCUSQV-INIZCTEOSA-N 1 2 399.476 0.850 20 30 GCEDLO C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000511043817 1186353003 /nfs/dbraw/zinc/35/30/03/1186353003.db2.gz HIMDCUXUPVGJOG-HNNXBMFYSA-N 1 2 378.498 0.225 20 30 GCEDLO CO[C@@H]1COC[C@H]1n1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)nn1 ZINC000583689266 1186919017 /nfs/dbraw/zinc/91/90/17/1186919017.db2.gz CLZSDBFIWKQGAM-IAGOWNOFSA-N 1 2 391.453 0.300 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583915591 1186961743 /nfs/dbraw/zinc/96/17/43/1186961743.db2.gz WVHWSMSUQPUTRE-BMFZPTHFSA-N 1 2 392.481 0.204 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583915591 1186961745 /nfs/dbraw/zinc/96/17/45/1186961745.db2.gz WVHWSMSUQPUTRE-BMFZPTHFSA-N 1 2 392.481 0.204 20 30 GCEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000611957584 1187153020 /nfs/dbraw/zinc/15/30/20/1187153020.db2.gz YSANHGAPUXROCD-QGZVFWFLSA-N 1 2 379.501 0.799 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024492612 1187417267 /nfs/dbraw/zinc/41/72/67/1187417267.db2.gz GRPORLPGHIJUJR-LIRZEXBASA-N 1 2 384.436 0.846 20 30 GCEDLO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cn2)cc1 ZINC000612543629 1187517338 /nfs/dbraw/zinc/51/73/38/1187517338.db2.gz JLTOLSMPFLHKDS-UHFFFAOYSA-N 1 2 395.419 0.821 20 30 GCEDLO C=CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000685799775 1187571130 /nfs/dbraw/zinc/57/11/30/1187571130.db2.gz DPSDAJXEPAHIHG-JKSUJKDBSA-N 1 2 396.513 0.685 20 30 GCEDLO C=CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000685799775 1187571135 /nfs/dbraw/zinc/57/11/35/1187571135.db2.gz DPSDAJXEPAHIHG-JKSUJKDBSA-N 1 2 396.513 0.685 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413963261 1187615576 /nfs/dbraw/zinc/61/55/76/1187615576.db2.gz XLGLFZILVLDMOC-CQSZACIVSA-N 1 2 394.497 0.452 20 30 GCEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)C2)c(F)c1 ZINC000580296293 1187679069 /nfs/dbraw/zinc/67/90/69/1187679069.db2.gz OOLXWIZABDHMEH-KRWDZBQOSA-N 1 2 397.458 0.960 20 30 GCEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000414134875 1187732304 /nfs/dbraw/zinc/73/23/04/1187732304.db2.gz DOUABEJJRPZGHK-HNNXBMFYSA-N 1 2 383.470 0.293 20 30 GCEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000414134875 1187732309 /nfs/dbraw/zinc/73/23/09/1187732309.db2.gz DOUABEJJRPZGHK-HNNXBMFYSA-N 1 2 383.470 0.293 20 30 GCEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000188871189 1187915565 /nfs/dbraw/zinc/91/55/65/1187915565.db2.gz WNZCSSGNEDIENC-UHFFFAOYSA-N 1 2 398.471 0.742 20 30 GCEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000188871189 1187915570 /nfs/dbraw/zinc/91/55/70/1187915570.db2.gz WNZCSSGNEDIENC-UHFFFAOYSA-N 1 2 398.471 0.742 20 30 GCEDLO Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c(N(C)C)[nH+]1 ZINC000782905281 1187951356 /nfs/dbraw/zinc/95/13/56/1187951356.db2.gz MCUVWHDHAWVPIW-UHFFFAOYSA-N 1 2 388.472 0.469 20 30 GCEDLO C#CC[C@@]1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCCN1C(=O)OC(C)(C)C ZINC000377694444 1188107285 /nfs/dbraw/zinc/10/72/85/1188107285.db2.gz IWIHRXDGWORREA-UZLBHIALSA-N 1 2 376.501 0.895 20 30 GCEDLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000290502326 1189412556 /nfs/dbraw/zinc/41/25/56/1189412556.db2.gz YGWFLEGLZHLEBE-HZPDHXFCSA-N 1 2 379.482 0.979 20 30 GCEDLO CS(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000014220061 1189520042 /nfs/dbraw/zinc/52/00/42/1189520042.db2.gz KIRMIRZAKQOKSE-UHFFFAOYSA-N 1 2 390.509 0.874 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC000416583835 1189555662 /nfs/dbraw/zinc/55/56/62/1189555662.db2.gz LUVHMGOTMLBDKV-HNNXBMFYSA-N 1 2 395.481 0.328 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1 ZINC000416583835 1189555663 /nfs/dbraw/zinc/55/56/63/1189555663.db2.gz LUVHMGOTMLBDKV-HNNXBMFYSA-N 1 2 395.481 0.328 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000759828881 1189769021 /nfs/dbraw/zinc/76/90/21/1189769021.db2.gz DFVNOGNJRXUHPJ-UHFFFAOYSA-N 1 2 392.500 0.575 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000759828881 1189769026 /nfs/dbraw/zinc/76/90/26/1189769026.db2.gz DFVNOGNJRXUHPJ-UHFFFAOYSA-N 1 2 392.500 0.575 20 30 GCEDLO C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1 ZINC000571418394 1193870921 /nfs/dbraw/zinc/87/09/21/1193870921.db2.gz UQPHALFPVUWFQO-ZDUSSCGKSA-N 1 2 397.482 0.394 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCc2nc(C(C)(C)C)no2)CC1 ZINC000729256933 1193909524 /nfs/dbraw/zinc/90/95/24/1193909524.db2.gz NIZDMKHXWTTWNX-UHFFFAOYSA-N 1 2 389.500 0.974 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCc2nc(C(C)(C)C)no2)CC1 ZINC000729256933 1193909527 /nfs/dbraw/zinc/90/95/27/1193909527.db2.gz NIZDMKHXWTTWNX-UHFFFAOYSA-N 1 2 389.500 0.974 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](NC(C)=O)c2cccs2)CC1 ZINC000729257820 1193909798 /nfs/dbraw/zinc/90/97/98/1193909798.db2.gz RHZSXXUECMKLAB-MRXNPFEDSA-N 1 2 390.509 0.599 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](NC(C)=O)c2cccs2)CC1 ZINC000729257820 1193909799 /nfs/dbraw/zinc/90/97/99/1193909799.db2.gz RHZSXXUECMKLAB-MRXNPFEDSA-N 1 2 390.509 0.599 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1 ZINC000729257279 1193909876 /nfs/dbraw/zinc/90/98/76/1193909876.db2.gz ZTDKPVODMHZLCK-UHFFFAOYSA-N 1 2 398.511 0.630 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1 ZINC000729257279 1193909880 /nfs/dbraw/zinc/90/98/80/1193909880.db2.gz ZTDKPVODMHZLCK-UHFFFAOYSA-N 1 2 398.511 0.630 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2 ZINC001111522448 1193910566 /nfs/dbraw/zinc/91/05/66/1193910566.db2.gz DXOCENHSUNHWSF-TVFCKZIOSA-N 1 2 378.517 0.951 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2 ZINC001111522448 1193910568 /nfs/dbraw/zinc/91/05/68/1193910568.db2.gz DXOCENHSUNHWSF-TVFCKZIOSA-N 1 2 378.517 0.951 20 30 GCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000729384659 1193916752 /nfs/dbraw/zinc/91/67/52/1193916752.db2.gz BRZUCAVLXSLXIS-CQSZACIVSA-N 1 2 394.497 0.342 20 30 GCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000729384659 1193916755 /nfs/dbraw/zinc/91/67/55/1193916755.db2.gz BRZUCAVLXSLXIS-CQSZACIVSA-N 1 2 394.497 0.342 20 30 GCEDLO CCC(CC)(NC(=O)C1C[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1)C(N)=O ZINC000513270193 1193930723 /nfs/dbraw/zinc/93/07/23/1193930723.db2.gz ATWDSRMIMLFODN-ACJLOTCBSA-N 1 2 379.505 0.521 20 30 GCEDLO C=CCN1CC[C@H]([N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000420976302 1194280002 /nfs/dbraw/zinc/28/00/02/1194280002.db2.gz SOUDLLMWOSOKOG-HNNXBMFYSA-N 1 2 382.442 0.592 20 30 GCEDLO C=CCN1CC[C@H]([N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000420976302 1194280004 /nfs/dbraw/zinc/28/00/04/1194280004.db2.gz SOUDLLMWOSOKOG-HNNXBMFYSA-N 1 2 382.442 0.592 20 30 GCEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421005383 1194283039 /nfs/dbraw/zinc/28/30/39/1194283039.db2.gz GGRXDZYZGKMJNV-CYBMUJFWSA-N 1 2 397.457 0.565 20 30 GCEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421005383 1194283043 /nfs/dbraw/zinc/28/30/43/1194283043.db2.gz GGRXDZYZGKMJNV-CYBMUJFWSA-N 1 2 397.457 0.565 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1OCC ZINC000983086741 1194415443 /nfs/dbraw/zinc/41/54/43/1194415443.db2.gz RDKNVSNPWUMTOH-NRSFXHEJSA-N 1 2 390.484 0.533 20 30 GCEDLO Cc1nc(N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)cc[nH+]1 ZINC000273577836 1194573652 /nfs/dbraw/zinc/57/36/52/1194573652.db2.gz KGUJIRFXBGFZPV-UHFFFAOYSA-N 1 2 380.408 0.975 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)nn1CCC#N ZINC000273615584 1194576844 /nfs/dbraw/zinc/57/68/44/1194576844.db2.gz SPEAGRLDHVMJLB-UHFFFAOYSA-N 1 2 382.428 0.491 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000434696321 1194860507 /nfs/dbraw/zinc/86/05/07/1194860507.db2.gz DNHOMMPHJRBRRH-SFHVURJKSA-N 1 2 379.549 0.721 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000434696321 1194860508 /nfs/dbraw/zinc/86/05/08/1194860508.db2.gz DNHOMMPHJRBRRH-SFHVURJKSA-N 1 2 379.549 0.721 20 30 GCEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000435157999 1194892841 /nfs/dbraw/zinc/89/28/41/1194892841.db2.gz HEHFFGDOPKKXCT-OKILXGFUSA-N 1 2 376.461 0.842 20 30 GCEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000435157999 1194892843 /nfs/dbraw/zinc/89/28/43/1194892843.db2.gz HEHFFGDOPKKXCT-OKILXGFUSA-N 1 2 376.461 0.842 20 30 GCEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000425615377 1195030462 /nfs/dbraw/zinc/03/04/62/1195030462.db2.gz YBRFLSNLUMIDDX-JKSUJKDBSA-N 1 2 385.472 0.837 20 30 GCEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000425615377 1195030466 /nfs/dbraw/zinc/03/04/66/1195030466.db2.gz YBRFLSNLUMIDDX-JKSUJKDBSA-N 1 2 385.472 0.837 20 30 GCEDLO C=CCNC(=O)CN1CC[NH+](Cc2c(C)nn(CC(=O)OCC)c2C)CC1 ZINC000437590654 1195130197 /nfs/dbraw/zinc/13/01/97/1195130197.db2.gz NAODZUSPRKBYJI-UHFFFAOYSA-N 1 2 377.489 0.483 20 30 GCEDLO Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1S(=O)(=O)NCC#N ZINC000517480290 1195186310 /nfs/dbraw/zinc/18/63/10/1195186310.db2.gz AKUSJGYLENQRAV-HUUCEWRRSA-N 1 2 394.497 0.636 20 30 GCEDLO Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1S(=O)(=O)NCC#N ZINC000517480291 1195186453 /nfs/dbraw/zinc/18/64/53/1195186453.db2.gz AKUSJGYLENQRAV-LSDHHAIUSA-N 1 2 394.497 0.636 20 30 GCEDLO C=CCSCC(=O)N1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001270479380 1195313391 /nfs/dbraw/zinc/31/33/91/1195313391.db2.gz LOWDMCUUCYEVBS-GOSISDBHSA-N 1 2 378.498 0.880 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000440084229 1195383599 /nfs/dbraw/zinc/38/35/99/1195383599.db2.gz VYHRRHZHVHBTNQ-GJZGRUSLSA-N 1 2 381.498 0.678 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000440084229 1195383602 /nfs/dbraw/zinc/38/36/02/1195383602.db2.gz VYHRRHZHVHBTNQ-GJZGRUSLSA-N 1 2 381.498 0.678 20 30 GCEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000440347391 1195408714 /nfs/dbraw/zinc/40/87/14/1195408714.db2.gz SFKBHFQSSHFRJI-KRWDZBQOSA-N 1 2 383.514 0.061 20 30 GCEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCNC1=O ZINC000440958186 1195590976 /nfs/dbraw/zinc/59/09/76/1195590976.db2.gz JMOQUIZISODXLN-LSDHHAIUSA-N 1 2 375.498 0.667 20 30 GCEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCNC1=O ZINC000440958186 1195590979 /nfs/dbraw/zinc/59/09/79/1195590979.db2.gz JMOQUIZISODXLN-LSDHHAIUSA-N 1 2 375.498 0.667 20 30 GCEDLO Cc1ncc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)[nH]1 ZINC000328837994 1195670035 /nfs/dbraw/zinc/67/00/35/1195670035.db2.gz NFZPGBYPZOVJLB-CQSZACIVSA-N 1 2 385.472 0.869 20 30 GCEDLO Cn1cc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cn1 ZINC000328862266 1195672175 /nfs/dbraw/zinc/67/21/75/1195672175.db2.gz VPPRHPQZCPRQGX-AWEZNQCLSA-N 1 2 385.472 0.571 20 30 GCEDLO O=C(CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)N1CCCCC1 ZINC000328882356 1195674108 /nfs/dbraw/zinc/67/41/08/1195674108.db2.gz XCDGMJXZRDCWGJ-UHFFFAOYSA-N 1 2 375.477 0.115 20 30 GCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000328912583 1195679717 /nfs/dbraw/zinc/67/97/17/1195679717.db2.gz HINWRWKNUFZWJN-UHFFFAOYSA-N 1 2 395.548 0.641 20 30 GCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000328912583 1195679721 /nfs/dbraw/zinc/67/97/21/1195679721.db2.gz HINWRWKNUFZWJN-UHFFFAOYSA-N 1 2 395.548 0.641 20 30 GCEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330461984 1195689022 /nfs/dbraw/zinc/68/90/22/1195689022.db2.gz XYNZJZCROKXFLC-ILXRZTDVSA-N 1 2 388.534 0.857 20 30 GCEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330461984 1195689025 /nfs/dbraw/zinc/68/90/25/1195689025.db2.gz XYNZJZCROKXFLC-ILXRZTDVSA-N 1 2 388.534 0.857 20 30 GCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330765872 1195706145 /nfs/dbraw/zinc/70/61/45/1195706145.db2.gz QJXWNVPBGBEXEU-CVEARBPZSA-N 1 2 386.518 0.121 20 30 GCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330765872 1195706148 /nfs/dbraw/zinc/70/61/48/1195706148.db2.gz QJXWNVPBGBEXEU-CVEARBPZSA-N 1 2 386.518 0.121 20 30 GCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330765875 1195706205 /nfs/dbraw/zinc/70/62/05/1195706205.db2.gz QJXWNVPBGBEXEU-JKSUJKDBSA-N 1 2 386.518 0.121 20 30 GCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330765875 1195706209 /nfs/dbraw/zinc/70/62/09/1195706209.db2.gz QJXWNVPBGBEXEU-JKSUJKDBSA-N 1 2 386.518 0.121 20 30 GCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000331125362 1195720546 /nfs/dbraw/zinc/72/05/46/1195720546.db2.gz CYCYHCLWCAUKGX-AWEZNQCLSA-N 1 2 382.486 0.979 20 30 GCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000331125362 1195720549 /nfs/dbraw/zinc/72/05/49/1195720549.db2.gz CYCYHCLWCAUKGX-AWEZNQCLSA-N 1 2 382.486 0.979 20 30 GCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000331141431 1195720938 /nfs/dbraw/zinc/72/09/38/1195720938.db2.gz KOOWZUHDTBZYNF-AWEZNQCLSA-N 1 2 382.486 0.979 20 30 GCEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000331141431 1195720940 /nfs/dbraw/zinc/72/09/40/1195720940.db2.gz KOOWZUHDTBZYNF-AWEZNQCLSA-N 1 2 382.486 0.979 20 30 GCEDLO CC(=O)N[C@H](CCC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001111523442 1195768379 /nfs/dbraw/zinc/76/83/79/1195768379.db2.gz ZITSIRSAYVJAKD-VQHPVUNQSA-N 1 2 377.489 0.289 20 30 GCEDLO CC(=O)N[C@H](CCC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001111523442 1195768381 /nfs/dbraw/zinc/76/83/81/1195768381.db2.gz ZITSIRSAYVJAKD-VQHPVUNQSA-N 1 2 377.489 0.289 20 30 GCEDLO C[C@@H](c1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1)[NH+]1CCOCC1 ZINC000508307718 1195915421 /nfs/dbraw/zinc/91/54/21/1195915421.db2.gz VRRFCXPCKJRLHR-AWEZNQCLSA-N 1 2 397.439 0.298 20 30 GCEDLO CC#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000550490087 1196055705 /nfs/dbraw/zinc/05/57/05/1196055705.db2.gz WDJMZCLSRQPZCT-UHFFFAOYSA-N 1 2 394.453 0.383 20 30 GCEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000550490087 1196055708 /nfs/dbraw/zinc/05/57/08/1196055708.db2.gz WDJMZCLSRQPZCT-UHFFFAOYSA-N 1 2 394.453 0.383 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)nc(C)[nH]c3=O)CC1 ZINC000896182764 1196131450 /nfs/dbraw/zinc/13/14/50/1196131450.db2.gz XMWVBIRZAJJOQP-UHFFFAOYSA-N 1 2 381.436 0.541 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)nc(C)[nH]c3=O)CC1 ZINC000896182764 1196131452 /nfs/dbraw/zinc/13/14/52/1196131452.db2.gz XMWVBIRZAJJOQP-UHFFFAOYSA-N 1 2 381.436 0.541 20 30 GCEDLO COCC(=O)NC1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329013439 1196156204 /nfs/dbraw/zinc/15/62/04/1196156204.db2.gz FIKOLKHLBMCQSN-UHFFFAOYSA-N 1 2 390.444 0.302 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000329039701 1196158207 /nfs/dbraw/zinc/15/82/07/1196158207.db2.gz OADWRHBERRWDKF-HIFRSBDPSA-N 1 2 378.477 0.870 20 30 GCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000329088010 1196162280 /nfs/dbraw/zinc/16/22/80/1196162280.db2.gz HQWWGEPOXZPSPS-INIZCTEOSA-N 1 2 395.525 0.942 20 30 GCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000329088010 1196162282 /nfs/dbraw/zinc/16/22/82/1196162282.db2.gz HQWWGEPOXZPSPS-INIZCTEOSA-N 1 2 395.525 0.942 20 30 GCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1 ZINC000329097088 1196163165 /nfs/dbraw/zinc/16/31/65/1196163165.db2.gz LLKNUBIVSUVQNR-INIZCTEOSA-N 1 2 396.513 0.674 20 30 GCEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1 ZINC000329097088 1196163166 /nfs/dbraw/zinc/16/31/66/1196163166.db2.gz LLKNUBIVSUVQNR-INIZCTEOSA-N 1 2 396.513 0.674 20 30 GCEDLO O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329129770 1196166685 /nfs/dbraw/zinc/16/66/85/1196166685.db2.gz WKMHVUQQVSSPOE-FCEWJHQRSA-N 1 2 381.473 0.462 20 30 GCEDLO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000329152223 1196169675 /nfs/dbraw/zinc/16/96/75/1196169675.db2.gz SXKSLIXJURRVRP-PBHICJAKSA-N 1 2 378.521 0.960 20 30 GCEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CCC(=O)N1C1CC1 ZINC000329202524 1196175685 /nfs/dbraw/zinc/17/56/85/1196175685.db2.gz CHAWUGIIWVXWHH-BASYENTBSA-N 1 2 389.456 0.628 20 30 GCEDLO C=CCCOCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000148011890 1196196840 /nfs/dbraw/zinc/19/68/40/1196196840.db2.gz JQKMNKFLSPPEDJ-UHFFFAOYSA-N 1 2 382.486 0.242 20 30 GCEDLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000329459677 1196197800 /nfs/dbraw/zinc/19/78/00/1196197800.db2.gz ROBNVDBHSCIYFO-LJQANCHMSA-N 1 2 386.496 0.999 20 30 GCEDLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000329459677 1196197801 /nfs/dbraw/zinc/19/78/01/1196197801.db2.gz ROBNVDBHSCIYFO-LJQANCHMSA-N 1 2 386.496 0.999 20 30 GCEDLO O=S(=O)(C1CC1)N1CCC[C@@H]([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329487827 1196200240 /nfs/dbraw/zinc/20/02/40/1196200240.db2.gz RQGYYRSZVXJQMB-ZIAGYGMSSA-N 1 2 381.502 0.906 20 30 GCEDLO O=S(=O)(C1CC1)N1CCC[C@@H](NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329487827 1196200242 /nfs/dbraw/zinc/20/02/42/1196200242.db2.gz RQGYYRSZVXJQMB-ZIAGYGMSSA-N 1 2 381.502 0.906 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329524752 1196202829 /nfs/dbraw/zinc/20/28/29/1196202829.db2.gz SGTPDXRLYGJTQJ-IRXDYDNUSA-N 1 2 397.520 0.206 20 30 GCEDLO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329624053 1196211311 /nfs/dbraw/zinc/21/13/11/1196211311.db2.gz GDZLQJRHDDZFRG-INIZCTEOSA-N 1 2 378.498 0.786 20 30 GCEDLO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329624053 1196211313 /nfs/dbraw/zinc/21/13/13/1196211313.db2.gz GDZLQJRHDDZFRG-INIZCTEOSA-N 1 2 378.498 0.786 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000329629873 1196212020 /nfs/dbraw/zinc/21/20/20/1196212020.db2.gz WDCYROMVKHNUFI-CVEARBPZSA-N 1 2 392.500 0.667 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCCS(=O)(=O)C3)ccn2)CC1 ZINC000329814169 1196232559 /nfs/dbraw/zinc/23/25/59/1196232559.db2.gz DRNDMNVBBBBLJK-AWEZNQCLSA-N 1 2 395.485 0.182 20 30 GCEDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000329963706 1196243097 /nfs/dbraw/zinc/24/30/97/1196243097.db2.gz SQXUUUYPJNTSSJ-RHSMWYFYSA-N 1 2 396.513 0.883 20 30 GCEDLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)cn2)C[C@H](C)O1 ZINC000330015676 1196246610 /nfs/dbraw/zinc/24/66/10/1196246610.db2.gz OIVCXOPEXWUGLC-IJEWVQPXSA-N 1 2 394.476 0.175 20 30 GCEDLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cn2)C[C@H](C)O1 ZINC000330015676 1196246613 /nfs/dbraw/zinc/24/66/13/1196246613.db2.gz OIVCXOPEXWUGLC-IJEWVQPXSA-N 1 2 394.476 0.175 20 30 GCEDLO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000330203349 1196259330 /nfs/dbraw/zinc/25/93/30/1196259330.db2.gz ARJUFDPCEUYHKE-HUUCEWRRSA-N 1 2 392.504 0.838 20 30 GCEDLO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000330203349 1196259334 /nfs/dbraw/zinc/25/93/34/1196259334.db2.gz ARJUFDPCEUYHKE-HUUCEWRRSA-N 1 2 392.504 0.838 20 30 GCEDLO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000330203347 1196259498 /nfs/dbraw/zinc/25/94/98/1196259498.db2.gz ARJUFDPCEUYHKE-CABCVRRESA-N 1 2 392.504 0.838 20 30 GCEDLO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000330203347 1196259500 /nfs/dbraw/zinc/25/95/00/1196259500.db2.gz ARJUFDPCEUYHKE-CABCVRRESA-N 1 2 392.504 0.838 20 30 GCEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330223733 1196260174 /nfs/dbraw/zinc/26/01/74/1196260174.db2.gz SKRPZEIAUPTKCF-DLBZAZTESA-N 1 2 395.500 0.852 20 30 GCEDLO O=C(N[C@H]1CCOC2(CCOCC2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330223735 1196260332 /nfs/dbraw/zinc/26/03/32/1196260332.db2.gz SKRPZEIAUPTKCF-IRXDYDNUSA-N 1 2 395.500 0.852 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3cnccn3)CC[C@@H]2C1 ZINC001088112586 1196365049 /nfs/dbraw/zinc/36/50/49/1196365049.db2.gz MVBWGPDSNWCHGD-TWMKSMIVSA-N 1 2 385.468 0.787 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3cnccn3)CC[C@@H]2C1 ZINC001088112586 1196365052 /nfs/dbraw/zinc/36/50/52/1196365052.db2.gz MVBWGPDSNWCHGD-TWMKSMIVSA-N 1 2 385.468 0.787 20 30 GCEDLO CC(C)(CNC(=O)CN1CCN(c2ccccc2C#N)CC1)[NH+]1CCOCC1 ZINC000101554240 1196377936 /nfs/dbraw/zinc/37/79/36/1196377936.db2.gz DQUJWNHZWARMRD-UHFFFAOYSA-N 1 2 385.512 0.907 20 30 GCEDLO COCc1noc(CN2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000444736337 1196516723 /nfs/dbraw/zinc/51/67/23/1196516723.db2.gz PEGXYPJFYFLLFA-MRXNPFEDSA-N 1 2 387.440 0.645 20 30 GCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nc1 ZINC000523651411 1196540094 /nfs/dbraw/zinc/54/00/94/1196540094.db2.gz WGFDIKWYTYTJIT-MRXNPFEDSA-N 1 2 393.451 0.979 20 30 GCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nc1 ZINC000523651411 1196540099 /nfs/dbraw/zinc/54/00/99/1196540099.db2.gz WGFDIKWYTYTJIT-MRXNPFEDSA-N 1 2 393.451 0.979 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000524126233 1196577629 /nfs/dbraw/zinc/57/76/29/1196577629.db2.gz IDYKTNKYFUSMPK-HNNXBMFYSA-N 1 2 381.498 0.849 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000527148828 1196768029 /nfs/dbraw/zinc/76/80/29/1196768029.db2.gz ZILLLYTWAADDRP-ZDUSSCGKSA-N 1 2 388.424 0.601 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)[C@@H](C)C1 ZINC000527148828 1196768031 /nfs/dbraw/zinc/76/80/31/1196768031.db2.gz ZILLLYTWAADDRP-ZDUSSCGKSA-N 1 2 388.424 0.601 20 30 GCEDLO CCN(CC)C(=O)C[NH+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528346548 1196848864 /nfs/dbraw/zinc/84/88/64/1196848864.db2.gz XXWNNFCOYDCLRP-UHFFFAOYSA-N 1 2 396.491 0.772 20 30 GCEDLO O=C([C@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000528368482 1196853753 /nfs/dbraw/zinc/85/37/53/1196853753.db2.gz MOTCPPIGZISWLB-LJQANCHMSA-N 1 2 395.459 0.999 20 30 GCEDLO O=C([C@H]1CCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000528368482 1196853758 /nfs/dbraw/zinc/85/37/58/1196853758.db2.gz MOTCPPIGZISWLB-LJQANCHMSA-N 1 2 395.459 0.999 20 30 GCEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528401836 1196856293 /nfs/dbraw/zinc/85/62/93/1196856293.db2.gz ZUYGHSWJPRQHCH-MJGOQNOKSA-N 1 2 386.496 0.926 20 30 GCEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528401836 1196856297 /nfs/dbraw/zinc/85/62/97/1196856297.db2.gz ZUYGHSWJPRQHCH-MJGOQNOKSA-N 1 2 386.496 0.926 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)c1C#N ZINC000530352678 1196981243 /nfs/dbraw/zinc/98/12/43/1196981243.db2.gz OXDJSFLGFHSRLW-UHFFFAOYSA-N 1 2 389.504 0.543 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC2)c1C#N ZINC000530408326 1196985523 /nfs/dbraw/zinc/98/55/23/1196985523.db2.gz XGZHCOYMUPMPCB-UHFFFAOYSA-N 1 2 389.504 0.543 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC2)c1C#N ZINC000530408326 1196985526 /nfs/dbraw/zinc/98/55/26/1196985526.db2.gz XGZHCOYMUPMPCB-UHFFFAOYSA-N 1 2 389.504 0.543 20 30 GCEDLO C[C@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1C(=O)c1cnn(C)c1 ZINC000452055744 1197036725 /nfs/dbraw/zinc/03/67/25/1197036725.db2.gz SLMRLVLJHRVORU-YJBOKZPZSA-N 1 2 383.452 0.878 20 30 GCEDLO C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1C(=O)c1cnn(C)c1 ZINC000452055744 1197036730 /nfs/dbraw/zinc/03/67/30/1197036730.db2.gz SLMRLVLJHRVORU-YJBOKZPZSA-N 1 2 383.452 0.878 20 30 GCEDLO CN(C)CCN(CC[NH+](C)C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000531356976 1197067254 /nfs/dbraw/zinc/06/72/54/1197067254.db2.gz BOLAWKDDZVLNCX-UHFFFAOYSA-N 1 2 380.514 0.425 20 30 GCEDLO CCn1c(N)c(C(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000533265896 1197442287 /nfs/dbraw/zinc/44/22/87/1197442287.db2.gz YUECBBQRGCKHTG-UHFFFAOYSA-N 1 2 385.424 0.754 20 30 GCEDLO CCn1c(N)c(C(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000533265896 1197442289 /nfs/dbraw/zinc/44/22/89/1197442289.db2.gz YUECBBQRGCKHTG-UHFFFAOYSA-N 1 2 385.424 0.754 20 30 GCEDLO C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000272893588 1197565094 /nfs/dbraw/zinc/56/50/94/1197565094.db2.gz YLMRNMLVLIEQTB-UHFFFAOYSA-N 1 2 381.498 0.919 20 30 GCEDLO C#CCSCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265779999 1199181445 /nfs/dbraw/zinc/18/14/45/1199181445.db2.gz DZSRVGZLUOEXGQ-UHFFFAOYSA-N 1 2 390.513 0.511 20 30 GCEDLO C#CCSCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000265779999 1199181447 /nfs/dbraw/zinc/18/14/47/1199181447.db2.gz DZSRVGZLUOEXGQ-UHFFFAOYSA-N 1 2 390.513 0.511 20 30 GCEDLO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1=O ZINC000672766629 1199333794 /nfs/dbraw/zinc/33/37/94/1199333794.db2.gz TXJUKVCSFIXOJJ-MRXNPFEDSA-N 1 2 383.452 0.547 20 30 GCEDLO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000508916724 1199788701 /nfs/dbraw/zinc/78/87/01/1199788701.db2.gz HWVGGTLTZYLXAU-CQSZACIVSA-N 1 2 384.488 0.654 20 30 GCEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000508945951 1199820301 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C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc([C@H](C)OC)n1)C2 ZINC001109291089 1202014120 /nfs/dbraw/zinc/01/41/20/1202014120.db2.gz ISVHVZGTMPKGRX-XFMPKHEZSA-N 1 2 376.482 0.935 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)C2 ZINC001109414893 1202042583 /nfs/dbraw/zinc/04/25/83/1202042583.db2.gz QTGJBUNCXPTGGU-JGLNRKDHSA-N 1 2 399.495 0.359 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)C2 ZINC001109414893 1202042585 /nfs/dbraw/zinc/04/25/85/1202042585.db2.gz QTGJBUNCXPTGGU-JGLNRKDHSA-N 1 2 399.495 0.359 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)C2 ZINC001109470256 1202058549 /nfs/dbraw/zinc/05/85/49/1202058549.db2.gz UEUZLYDHXZWKKX-PBOSXPJTSA-N 1 2 382.424 0.137 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)C2 ZINC001109470256 1202058552 /nfs/dbraw/zinc/05/85/52/1202058552.db2.gz UEUZLYDHXZWKKX-PBOSXPJTSA-N 1 2 382.424 0.137 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3ccccc3)n1)C2 ZINC001109485073 1202061342 /nfs/dbraw/zinc/06/13/42/1202061342.db2.gz JGZCYJJCHOTOQN-NEWSRXKRSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(-c3ccccc3)n1)C2 ZINC001109485073 1202061344 /nfs/dbraw/zinc/06/13/44/1202061344.db2.gz JGZCYJJCHOTOQN-NEWSRXKRSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3ccccc3[nH]1)C2 ZINC001109494743 1202065858 /nfs/dbraw/zinc/06/58/58/1202065858.db2.gz OSRNVVZKQLKZEG-JLSDUUJJSA-N 1 2 379.464 0.966 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3ccccc3[nH]1)C2 ZINC001109494743 1202065860 /nfs/dbraw/zinc/06/58/60/1202065860.db2.gz OSRNVVZKQLKZEG-JLSDUUJJSA-N 1 2 379.464 0.966 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCC1)C2 ZINC001109502601 1202067476 /nfs/dbraw/zinc/06/74/76/1202067476.db2.gz 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JMBZFDYLOFTHLA-PMPSAXMXSA-N 1 2 381.440 0.101 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(Br)c1)C2 ZINC001109536164 1202074411 /nfs/dbraw/zinc/07/44/11/1202074411.db2.gz ZUVBCBMESMUGOQ-AGIUHOORSA-N 1 2 379.258 0.862 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(Br)c1)C2 ZINC001109536164 1202074415 /nfs/dbraw/zinc/07/44/15/1202074415.db2.gz ZUVBCBMESMUGOQ-AGIUHOORSA-N 1 2 379.258 0.862 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CCOCC1)C2 ZINC001109570148 1202082426 /nfs/dbraw/zinc/08/24/26/1202082426.db2.gz XKIBPXYICHREOM-DFEOGRTESA-N 1 2 379.501 0.842 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CCOCC1)C2 ZINC001109570148 1202082428 /nfs/dbraw/zinc/08/24/28/1202082428.db2.gz XKIBPXYICHREOM-DFEOGRTESA-N 1 2 379.501 0.842 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)Nc3ccccc31)C2 ZINC001109577186 1202082499 /nfs/dbraw/zinc/08/24/99/1202082499.db2.gz WATGPCMAXIQOQW-WCZJQEMASA-N 1 2 380.448 0.583 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)Nc3ccccc31)C2 ZINC001109577186 1202082500 /nfs/dbraw/zinc/08/25/00/1202082500.db2.gz WATGPCMAXIQOQW-WCZJQEMASA-N 1 2 380.448 0.583 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)C2 ZINC001109585384 1202085350 /nfs/dbraw/zinc/08/53/50/1202085350.db2.gz SKFCEPINJMAUJX-PMPSAXMXSA-N 1 2 376.501 0.400 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)C2 ZINC001109585384 1202085353 /nfs/dbraw/zinc/08/53/53/1202085353.db2.gz SKFCEPINJMAUJX-PMPSAXMXSA-N 1 2 376.501 0.400 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1=CCOCC1)C2 ZINC001109680651 1202103928 /nfs/dbraw/zinc/10/39/28/1202103928.db2.gz SLWQOOSXJPMMAV-PMPSAXMXSA-N 1 2 376.457 0.457 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1=CCOCC1)C2 ZINC001109680651 1202103929 /nfs/dbraw/zinc/10/39/29/1202103929.db2.gz SLWQOOSXJPMMAV-PMPSAXMXSA-N 1 2 376.457 0.457 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000771185605 1202129259 /nfs/dbraw/zinc/12/92/59/1202129259.db2.gz MBXPHSSQRNKCKD-AWEZNQCLSA-N 1 2 395.481 0.769 20 30 GCEDLO Cc1[nH]nc2nc(C)cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@@H+]4CC(=O)NCC#N)c12 ZINC001109838807 1202131152 /nfs/dbraw/zinc/13/11/52/1202131152.db2.gz PZHUPVLCBWTXFB-SNPRPXQTSA-N 1 2 381.440 0.550 20 30 GCEDLO Cc1[nH]nc2nc(C)cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@H+]4CC(=O)NCC#N)c12 ZINC001109838807 1202131153 /nfs/dbraw/zinc/13/11/53/1202131153.db2.gz PZHUPVLCBWTXFB-SNPRPXQTSA-N 1 2 381.440 0.550 20 30 GCEDLO COc1ccc2c(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@@H+]4CC(=O)NCC#N)cnn2c1 ZINC001109849467 1202135723 /nfs/dbraw/zinc/13/57/23/1202135723.db2.gz SVMOZEXJMHWOKO-PVUWLOKVSA-N 1 2 382.424 0.318 20 30 GCEDLO COc1ccc2c(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@H+]4CC(=O)NCC#N)cnn2c1 ZINC001109849467 1202135726 /nfs/dbraw/zinc/13/57/26/1202135726.db2.gz SVMOZEXJMHWOKO-PVUWLOKVSA-N 1 2 382.424 0.318 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CCOCC)c1)C2 ZINC001109890182 1202143850 /nfs/dbraw/zinc/14/38/50/1202143850.db2.gz KUTBTJHOZAPLRE-IKGGRYGDSA-N 1 2 375.473 0.557 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CCOCC)c1)C2 ZINC001109890182 1202143851 /nfs/dbraw/zinc/14/38/51/1202143851.db2.gz KUTBTJHOZAPLRE-IKGGRYGDSA-N 1 2 375.473 0.557 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)NCC1CC1)C2 ZINC001109898027 1202145506 /nfs/dbraw/zinc/14/55/06/1202145506.db2.gz WXLOIVUDCOTVMG-IKGGRYGDSA-N 1 2 376.501 0.659 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)NCC1CC1)C2 ZINC001109898027 1202145507 /nfs/dbraw/zinc/14/55/07/1202145507.db2.gz WXLOIVUDCOTVMG-IKGGRYGDSA-N 1 2 376.501 0.659 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CCOC)C2 ZINC001109916167 1202147862 /nfs/dbraw/zinc/14/78/62/1202147862.db2.gz NCMKIPTWLSXQSJ-ILXRZTDVSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CCOC)C2 ZINC001109916167 1202147863 /nfs/dbraw/zinc/14/78/63/1202147863.db2.gz NCMKIPTWLSXQSJ-ILXRZTDVSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3ccnc3)ccn1)C2 ZINC001109922365 1202150293 /nfs/dbraw/zinc/15/02/93/1202150293.db2.gz BNNAIAMMUPSGRF-RYRKJORJSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3ccnc3)ccn1)C2 ZINC001109922365 1202150294 /nfs/dbraw/zinc/15/02/94/1202150294.db2.gz BNNAIAMMUPSGRF-RYRKJORJSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nocc1C)C2 ZINC001109934259 1202153258 /nfs/dbraw/zinc/15/32/58/1202153258.db2.gz XACGRBYKVCZIQN-MQYQWHSLSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nocc1C)C2 ZINC001109934259 1202153259 /nfs/dbraw/zinc/15/32/59/1202153259.db2.gz XACGRBYKVCZIQN-MQYQWHSLSA-N 1 2 375.429 0.718 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3cc[nH]cc-3n1)C2 ZINC001109937950 1202156185 /nfs/dbraw/zinc/15/61/85/1202156185.db2.gz NWLPTEQPALTNCD-INWMFGNUSA-N 1 2 381.440 0.252 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3cc[nH]cc-3n1)C2 ZINC001109937950 1202156188 /nfs/dbraw/zinc/15/61/88/1202156188.db2.gz NWLPTEQPALTNCD-INWMFGNUSA-N 1 2 381.440 0.252 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC1CCOCC1)C2 ZINC001109961741 1202160870 /nfs/dbraw/zinc/16/08/70/1202160870.db2.gz HJVWHKFEVGFUMF-PVAVHDDUSA-N 1 2 378.473 0.323 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC1CCOCC1)C2 ZINC001109961741 1202160872 /nfs/dbraw/zinc/16/08/72/1202160872.db2.gz HJVWHKFEVGFUMF-PVAVHDDUSA-N 1 2 378.473 0.323 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N3CCCC3)nn1)C2 ZINC001109964437 1202163583 /nfs/dbraw/zinc/16/35/83/1202163583.db2.gz 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C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC001110389565 1205954987 /nfs/dbraw/zinc/95/49/87/1205954987.db2.gz YGMFXIYJOZLHLV-TUVASFSCSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC001110389565 1205954989 /nfs/dbraw/zinc/95/49/89/1205954989.db2.gz YGMFXIYJOZLHLV-TUVASFSCSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001110388583 1205955020 /nfs/dbraw/zinc/95/50/20/1205955020.db2.gz DBRXRUHPSHKLRM-ZJPYXAASSA-N 1 2 377.485 0.548 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001110388583 1205955022 /nfs/dbraw/zinc/95/50/22/1205955022.db2.gz DBRXRUHPSHKLRM-ZJPYXAASSA-N 1 2 377.485 0.548 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccon1)C2 ZINC001110414568 1206014376 /nfs/dbraw/zinc/01/43/76/1206014376.db2.gz YDBNQCUSEOOIRL-NGFQHRJXSA-N 1 2 375.429 0.339 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccon1)C2 ZINC001110414568 1206014381 /nfs/dbraw/zinc/01/43/81/1206014381.db2.gz YDBNQCUSEOOIRL-NGFQHRJXSA-N 1 2 375.429 0.339 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110424197 1206029737 /nfs/dbraw/zinc/02/97/37/1206029737.db2.gz JRAOHEXRTXTQRX-TVFCKZIOSA-N 1 2 379.501 0.986 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC001110424197 1206029740 /nfs/dbraw/zinc/02/97/40/1206029740.db2.gz JRAOHEXRTXTQRX-TVFCKZIOSA-N 1 2 379.501 0.986 20 30 GCEDLO C[N@@H+]1CCN(C(=O)NC2CCN(CC#N)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775431188 1206054404 /nfs/dbraw/zinc/05/44/04/1206054404.db2.gz MPONGSUCMZLMGS-MRXNPFEDSA-N 1 2 394.520 0.825 20 30 GCEDLO C[N@H+]1CCN(C(=O)NC2CCN(CC#N)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775431188 1206054406 /nfs/dbraw/zinc/05/44/06/1206054406.db2.gz MPONGSUCMZLMGS-MRXNPFEDSA-N 1 2 394.520 0.825 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)ncc3C#N)CC2)C1=O ZINC001164633955 719270584 /nfs/dbraw/zinc/27/05/84/719270584.db2.gz KDXFSZSDOGEGBM-UHFFFAOYSA-N 1 2 378.864 0.761 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)ncc3C#N)CC2)C1=O ZINC001164633955 719270588 /nfs/dbraw/zinc/27/05/88/719270588.db2.gz KDXFSZSDOGEGBM-UHFFFAOYSA-N 1 2 378.864 0.761 20 30 GCEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(F)cc1C#N)CC2 ZINC001164705291 719938501 /nfs/dbraw/zinc/93/85/01/719938501.db2.gz XTELRWRKJFCUMY-UHFFFAOYSA-N 1 2 383.431 0.776 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3C#N)C2)C1 ZINC001164719311 720226539 /nfs/dbraw/zinc/22/65/39/720226539.db2.gz RAPVLBAMEVQRKU-QGZVFWFLSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3C#N)C2)C1 ZINC001164719311 720226544 /nfs/dbraw/zinc/22/65/44/720226544.db2.gz RAPVLBAMEVQRKU-QGZVFWFLSA-N 1 2 378.864 0.666 20 30 GCEDLO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C ZINC001573286352 946804586 /nfs/dbraw/zinc/80/45/86/946804586.db2.gz ZJSJMFWCFCTBON-RKVPGOIHSA-N 1 2 394.483 0.548 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001573570316 947085556 /nfs/dbraw/zinc/08/55/56/947085556.db2.gz MRBJVRQTSSHPFU-DZGCQCFKSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573574662 947133137 /nfs/dbraw/zinc/13/31/37/947133137.db2.gz SJVYJZPRMCHXFB-XIKOKIGWSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573574662 947133144 /nfs/dbraw/zinc/13/31/44/947133144.db2.gz SJVYJZPRMCHXFB-XIKOKIGWSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001571180978 952861355 /nfs/dbraw/zinc/86/13/55/952861355.db2.gz RZEADDNLFFRYDY-KGLIPLIRSA-N 1 2 381.444 0.144 20 30 GCEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000287112456 530222590 /nfs/dbraw/zinc/22/25/90/530222590.db2.gz ZNOXBLRUEZCELM-LLVKDONJSA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000287112456 530222592 /nfs/dbraw/zinc/22/25/92/530222592.db2.gz ZNOXBLRUEZCELM-LLVKDONJSA-N 1 2 387.303 0.845 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccncc2Br)CC1 ZINC000152703459 530261894 /nfs/dbraw/zinc/26/18/94/530261894.db2.gz UZLVWMLFWOQYEL-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccncc2Br)CC1 ZINC000152703459 530261897 /nfs/dbraw/zinc/26/18/97/530261897.db2.gz UZLVWMLFWOQYEL-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO N#Cc1ccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)c(Br)c1 ZINC000181180547 530370426 /nfs/dbraw/zinc/37/04/26/530370426.db2.gz BQFZLEPJHSOFGK-UHFFFAOYSA-N 1 2 387.303 0.727 20 30 GCEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000592149255 530414271 /nfs/dbraw/zinc/41/42/71/530414271.db2.gz LUGTYFGTCSIOPI-MRXNPFEDSA-N 1 2 395.257 0.854 20 30 GCEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000592149255 530414272 /nfs/dbraw/zinc/41/42/72/530414272.db2.gz LUGTYFGTCSIOPI-MRXNPFEDSA-N 1 2 395.257 0.854 20 30 GCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000328762649 530517707 /nfs/dbraw/zinc/51/77/07/530517707.db2.gz YWTLCURNCHRSNP-CYBMUJFWSA-N 1 2 389.499 0.404 20 30 GCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000328762649 530517708 /nfs/dbraw/zinc/51/77/08/530517708.db2.gz YWTLCURNCHRSNP-CYBMUJFWSA-N 1 2 389.499 0.404 20 30 GCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330379795 530519230 /nfs/dbraw/zinc/51/92/30/530519230.db2.gz UAFNMGLXGZGYGV-HUUCEWRRSA-N 1 2 376.548 0.510 20 30 GCEDLO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](S(N)(=O)=O)C1)c1c(F)cccc1F ZINC000330381981 530519267 /nfs/dbraw/zinc/51/92/67/530519267.db2.gz ITMJZBIJLXBLGJ-GXFFZTMASA-N 1 2 376.429 0.844 20 30 GCEDLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000330711114 530524074 /nfs/dbraw/zinc/52/40/74/530524074.db2.gz PQJALVAOUBXHJK-VIFPVBQESA-N 1 2 388.412 0.323 20 30 GCEDLO C[C@@](O)(CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C[NH+]1CCOCC1 ZINC000451238105 530575325 /nfs/dbraw/zinc/57/53/25/530575325.db2.gz CUPSYOGWVOFFIL-MRXNPFEDSA-N 1 2 387.889 0.768 20 30 GCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451296850 530576852 /nfs/dbraw/zinc/57/68/52/530576852.db2.gz GMPWRUFIIACKBA-CQSZACIVSA-N 1 2 387.889 0.720 20 30 GCEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1=O ZINC000267629853 530589866 /nfs/dbraw/zinc/58/98/66/530589866.db2.gz SBYUPCFIGXVJJT-DGCLKSJQSA-N 1 2 383.499 0.230 20 30 GCEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1=O ZINC000267629853 530589868 /nfs/dbraw/zinc/58/98/68/530589868.db2.gz SBYUPCFIGXVJJT-DGCLKSJQSA-N 1 2 383.499 0.230 20 30 GCEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCNS(=O)(=O)c1sc(=O)[nH]c1C ZINC000329895543 530622741 /nfs/dbraw/zinc/62/27/41/530622741.db2.gz KMQUYEGEOLSFJT-JTQLQIEISA-N 1 2 378.476 0.113 20 30 GCEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCCNS(=O)(=O)c1sc(=O)[nH]c1C ZINC000329895543 530622746 /nfs/dbraw/zinc/62/27/46/530622746.db2.gz KMQUYEGEOLSFJT-JTQLQIEISA-N 1 2 378.476 0.113 20 30 GCEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000330252579 530630430 /nfs/dbraw/zinc/63/04/30/530630430.db2.gz IKUNHYXSVHQENI-GFCCVEGCSA-N 1 2 375.495 0.256 20 30 GCEDLO N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000349449158 530635888 /nfs/dbraw/zinc/63/58/88/530635888.db2.gz KHTRWNSYJFMUHC-UHFFFAOYSA-N 1 2 384.483 0.482 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000349511608 530666797 /nfs/dbraw/zinc/66/67/97/530666797.db2.gz SNRUTYNTCJWPER-CQSZACIVSA-N 1 2 392.547 0.050 20 30 GCEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000580843909 530751122 /nfs/dbraw/zinc/75/11/22/530751122.db2.gz IRYOOCBMRKTOBO-STQMWFEESA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000580843909 530751124 /nfs/dbraw/zinc/75/11/24/530751124.db2.gz IRYOOCBMRKTOBO-STQMWFEESA-N 1 2 386.499 0.202 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000301286860 530815219 /nfs/dbraw/zinc/81/52/19/530815219.db2.gz ZPOHMGQNYRZRRV-UHFFFAOYSA-N 1 2 383.905 0.826 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000377209984 530823996 /nfs/dbraw/zinc/82/39/96/530823996.db2.gz YESPOHKNAYYRRY-MRXNPFEDSA-N 1 2 375.535 0.783 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000377209984 530824001 /nfs/dbraw/zinc/82/40/01/530824001.db2.gz YESPOHKNAYYRRY-MRXNPFEDSA-N 1 2 375.535 0.783 20 30 GCEDLO C[C@](O)(CNS(=O)(=O)c1c(F)cc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000443239212 530893203 /nfs/dbraw/zinc/89/32/03/530893203.db2.gz HOQIOYHCFNBYNT-HNNXBMFYSA-N 1 2 375.397 0.198 20 30 GCEDLO C[C@@](O)(CNS(=O)(=O)c1c(F)cc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000443239214 530893638 /nfs/dbraw/zinc/89/36/38/530893638.db2.gz HOQIOYHCFNBYNT-OAHLLOKOSA-N 1 2 375.397 0.198 20 30 GCEDLO C=CCCS(=O)(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000268879583 531004950 /nfs/dbraw/zinc/00/49/50/531004950.db2.gz RAQSIITZWPUBJB-UHFFFAOYSA-N 1 2 387.527 0.618 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000273209153 531007045 /nfs/dbraw/zinc/00/70/45/531007045.db2.gz LGWVRRVUWIFYHS-UHFFFAOYSA-N 1 2 382.262 0.080 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000273209153 531007049 /nfs/dbraw/zinc/00/70/49/531007049.db2.gz LGWVRRVUWIFYHS-UHFFFAOYSA-N 1 2 382.262 0.080 20 30 GCEDLO N#C[C@H]1CC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000424611906 531050101 /nfs/dbraw/zinc/05/01/01/531050101.db2.gz FHKVWWBVJXDZCA-DZGCQCFKSA-N 1 2 386.499 0.637 20 30 GCEDLO C#CCN1CCN(C(=O)C[N@@H+](CC=C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819702251 606374798 /nfs/dbraw/zinc/37/47/98/606374798.db2.gz VLGVMKUGCKUHDI-UHFFFAOYSA-N 1 2 379.468 0.632 20 30 GCEDLO C#CCN1CCN(C(=O)C[N@H+](CC=C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819702251 606374800 /nfs/dbraw/zinc/37/48/00/606374800.db2.gz VLGVMKUGCKUHDI-UHFFFAOYSA-N 1 2 379.468 0.632 20 30 GCEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000820788363 606911110 /nfs/dbraw/zinc/91/11/10/606911110.db2.gz FEGAXYPRQVZRMC-CZUORRHYSA-N 1 2 391.439 0.772 20 30 GCEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000820788363 606911113 /nfs/dbraw/zinc/91/11/13/606911113.db2.gz FEGAXYPRQVZRMC-CZUORRHYSA-N 1 2 391.439 0.772 20 30 GCEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000820788362 606911434 /nfs/dbraw/zinc/91/14/34/606911434.db2.gz FEGAXYPRQVZRMC-CJNGLKHVSA-N 1 2 391.439 0.772 20 30 GCEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000820788362 606911435 /nfs/dbraw/zinc/91/14/35/606911435.db2.gz FEGAXYPRQVZRMC-CJNGLKHVSA-N 1 2 391.439 0.772 20 30 GCEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000822826318 607206230 /nfs/dbraw/zinc/20/62/30/607206230.db2.gz WGSAIYNLFSKDQL-UHFFFAOYSA-N 1 2 392.427 0.064 20 30 GCEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000822826318 607206231 /nfs/dbraw/zinc/20/62/31/607206231.db2.gz WGSAIYNLFSKDQL-UHFFFAOYSA-N 1 2 392.427 0.064 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000823850484 609265205 /nfs/dbraw/zinc/26/52/05/609265205.db2.gz PCCSCPNLYXCLHF-IRXDYDNUSA-N 1 2 393.451 0.576 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000823850484 609265207 /nfs/dbraw/zinc/26/52/07/609265207.db2.gz PCCSCPNLYXCLHF-IRXDYDNUSA-N 1 2 393.451 0.576 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](Cc2cn(C)nc2I)CC1 ZINC000893973774 638658771 /nfs/dbraw/zinc/65/87/71/638658771.db2.gz MDXYZCSDFOWKAB-UHFFFAOYSA-N 1 2 386.237 0.986 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000761037230 640586276 /nfs/dbraw/zinc/58/62/76/640586276.db2.gz NMVHOCVYENFUMX-UHFFFAOYSA-N 1 2 381.483 0.034 20 30 GCEDLO N#C[C@@]12CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C[C@@H]1CS(=O)(=O)C2 ZINC000885312012 641803894 /nfs/dbraw/zinc/80/38/94/641803894.db2.gz ZNGOICNAYLHNIG-WZRBSPASSA-N 1 2 376.360 0.773 20 30 GCEDLO N#C[C@]12CN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C[C@@H]1CS(=O)(=O)C2 ZINC000886210668 641837898 /nfs/dbraw/zinc/83/78/98/641837898.db2.gz ZNGOICNAYLHNIG-NTZNESFSSA-N 1 2 376.360 0.773 20 30 GCEDLO C#CC1(O)CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000931146916 641982427 /nfs/dbraw/zinc/98/24/27/641982427.db2.gz SFYUYPQHGRVBEM-UHFFFAOYSA-N 1 2 394.269 0.964 20 30 GCEDLO N#Cc1c(Cl)nsc1N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001044748740 642075479 /nfs/dbraw/zinc/07/54/79/642075479.db2.gz ISYSBMXRNYARSM-VNOQCFOKSA-N 1 2 378.845 0.861 20 30 GCEDLO N#Cc1c(Cl)nsc1N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001044748740 642075488 /nfs/dbraw/zinc/07/54/88/642075488.db2.gz ISYSBMXRNYARSM-VNOQCFOKSA-N 1 2 378.845 0.861 20 30 GCEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000278889980 1192331953 /nfs/dbraw/zinc/33/19/53/1192331953.db2.gz OCDQGSHHLYBNAK-QGZVFWFLSA-N 1 2 376.482 0.674 20 30 GCEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000278889980 1192331958 /nfs/dbraw/zinc/33/19/58/1192331958.db2.gz OCDQGSHHLYBNAK-QGZVFWFLSA-N 1 2 376.482 0.674 20 30 GCEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000265072619 1192360150 /nfs/dbraw/zinc/36/01/50/1192360150.db2.gz UNVSUIHDZLUVLD-CQSZACIVSA-N 1 2 383.500 0.903 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058871648 1192413374 /nfs/dbraw/zinc/41/33/74/1192413374.db2.gz GTPQSEWWRCRZOM-ANQUJSFKSA-N 1 2 376.457 0.052 20 30 GCEDLO CN(C)c1cc(C#N)cc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000432402379 1192422694 /nfs/dbraw/zinc/42/26/94/1192422694.db2.gz PNUIRRCIQJGMKF-UHFFFAOYSA-N 1 2 379.468 0.966 20 30 GCEDLO C=CCN1CC[C@@H](N(C)c2cc[nH+]c(N(C)[C@@H]3CCN(CC=C)C3=O)n2)C1=O ZINC000893668773 1192510055 /nfs/dbraw/zinc/51/00/55/1192510055.db2.gz OXUPKGFWBJDBGA-HZPDHXFCSA-N 1 2 384.484 0.923 20 30 GCEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cc1 ZINC000051591812 1192760402 /nfs/dbraw/zinc/76/04/02/1192760402.db2.gz UUXMNJMNCUUQMW-UHFFFAOYSA-N 1 2 395.507 0.757 20 30 GCEDLO Cc1cc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)nn1CCC#N ZINC000512561921 1192904070 /nfs/dbraw/zinc/90/40/70/1192904070.db2.gz NQNKKRMMSRWCBN-UHFFFAOYSA-N 1 2 383.460 0.839 20 30 GCEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000784923542 1184211020 /nfs/dbraw/zinc/21/10/20/1184211020.db2.gz UKWSQFFKFWAPEC-UHFFFAOYSA-N 1 2 394.475 0.774 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000579916740 1184729190 /nfs/dbraw/zinc/72/91/90/1184729190.db2.gz WRYJPVPRLIUKOA-CVEARBPZSA-N 1 2 394.497 0.241 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)c2)CC1 ZINC000275721147 1184975880 /nfs/dbraw/zinc/97/58/80/1184975880.db2.gz UFLFYEDVZDFYPU-GOSISDBHSA-N 1 2 399.451 0.040 20 30 GCEDLO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+]1CCOCC1 ZINC000328690947 1185000471 /nfs/dbraw/zinc/00/04/71/1185000471.db2.gz BUWRDPIZYDCMFQ-ZWKOTPCHSA-N 1 2 395.548 0.640 20 30 GCEDLO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+]1CCOCC1 ZINC000328690946 1185000950 /nfs/dbraw/zinc/00/09/50/1185000950.db2.gz BUWRDPIZYDCMFQ-QZTJIDSGSA-N 1 2 395.548 0.640 20 30 GCEDLO N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000580095572 1185060698 /nfs/dbraw/zinc/06/06/98/1185060698.db2.gz YWONKYRGJXUIEU-UHFFFAOYSA-N 1 2 398.510 0.205 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001111488496 1185223570 /nfs/dbraw/zinc/22/35/70/1185223570.db2.gz LXWUKNABMYCTOS-FPCVCCKLSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001111488496 1185223577 /nfs/dbraw/zinc/22/35/77/1185223577.db2.gz LXWUKNABMYCTOS-FPCVCCKLSA-N 1 2 380.489 0.781 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000275928771 1185298446 /nfs/dbraw/zinc/29/84/46/1185298446.db2.gz CQPAMMGUHCDYIR-KRWDZBQOSA-N 1 2 388.468 0.578 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000275959865 1185341413 /nfs/dbraw/zinc/34/14/13/1185341413.db2.gz SJRKDEGFHVUBEF-GFCCVEGCSA-N 1 2 376.388 0.732 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000275959865 1185341421 /nfs/dbraw/zinc/34/14/21/1185341421.db2.gz SJRKDEGFHVUBEF-GFCCVEGCSA-N 1 2 376.388 0.732 20 30 GCEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069299538 1185541945 /nfs/dbraw/zinc/54/19/45/1185541945.db2.gz NPQGLTHAVAACQO-SFHVURJKSA-N 1 2 387.455 0.968 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1 ZINC000891607619 1185938089 /nfs/dbraw/zinc/93/80/89/1185938089.db2.gz OTQRYQIEMDHRNS-INIZCTEOSA-N 1 2 386.452 0.354 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1 ZINC000891607619 1185938091 /nfs/dbraw/zinc/93/80/91/1185938091.db2.gz OTQRYQIEMDHRNS-INIZCTEOSA-N 1 2 386.452 0.354 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)C1 ZINC000891607529 1185938330 /nfs/dbraw/zinc/93/83/30/1185938330.db2.gz OEARDAXLMFQPLJ-SFHVURJKSA-N 1 2 382.464 0.961 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)C1 ZINC000891607529 1185938333 /nfs/dbraw/zinc/93/83/33/1185938333.db2.gz OEARDAXLMFQPLJ-SFHVURJKSA-N 1 2 382.464 0.961 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)C1 ZINC000891605428 1185939057 /nfs/dbraw/zinc/93/90/57/1185939057.db2.gz FQOVZCYMFIUVQN-INIZCTEOSA-N 1 2 383.452 0.759 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)C1 ZINC000891605428 1185939060 /nfs/dbraw/zinc/93/90/60/1185939060.db2.gz FQOVZCYMFIUVQN-INIZCTEOSA-N 1 2 383.452 0.759 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)C1 ZINC000891608163 1185939232 /nfs/dbraw/zinc/93/92/32/1185939232.db2.gz XIEIJMBLFSVNID-AWEZNQCLSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)C1 ZINC000891608163 1185939235 /nfs/dbraw/zinc/93/92/35/1185939235.db2.gz XIEIJMBLFSVNID-AWEZNQCLSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)C1 ZINC000891605158 1185939297 /nfs/dbraw/zinc/93/92/97/1185939297.db2.gz AQTMYJHVTPRPOF-CYBMUJFWSA-N 1 2 376.844 0.852 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)C1 ZINC000891605158 1185939299 /nfs/dbraw/zinc/93/92/99/1185939299.db2.gz AQTMYJHVTPRPOF-CYBMUJFWSA-N 1 2 376.844 0.852 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C1 ZINC000891606260 1185940086 /nfs/dbraw/zinc/94/00/86/1185940086.db2.gz DMAIXTZDMNRNLL-OAHLLOKOSA-N 1 2 386.452 0.549 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C1 ZINC000891606260 1185940088 /nfs/dbraw/zinc/94/00/88/1185940088.db2.gz DMAIXTZDMNRNLL-OAHLLOKOSA-N 1 2 386.452 0.549 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)C1 ZINC000891605918 1185940221 /nfs/dbraw/zinc/94/02/21/1185940221.db2.gz BZLCGAXLCOKPJZ-KRWDZBQOSA-N 1 2 384.480 0.984 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)C1 ZINC000891605918 1185940223 /nfs/dbraw/zinc/94/02/23/1185940223.db2.gz BZLCGAXLCOKPJZ-KRWDZBQOSA-N 1 2 384.480 0.984 20 30 GCEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000471799725 1185964677 /nfs/dbraw/zinc/96/46/77/1185964677.db2.gz ROUJYQBPRWHAEG-LJQANCHMSA-N 1 2 389.463 0.969 20 30 GCEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000471799715 1185964779 /nfs/dbraw/zinc/96/47/79/1185964779.db2.gz ROUJYQBPRWHAEG-IBGZPJMESA-N 1 2 389.463 0.969 20 30 GCEDLO N#CC1(F)CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000510919886 1186165153 /nfs/dbraw/zinc/16/51/53/1186165153.db2.gz JIWFXVUHROPGSN-UHFFFAOYSA-N 1 2 394.472 0.847 20 30 GCEDLO C=CCC[C@H](CO)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000458110187 1186203475 /nfs/dbraw/zinc/20/34/75/1186203475.db2.gz RMPNXXXXIWNXEW-MRXNPFEDSA-N 1 2 375.473 0.747 20 30 GCEDLO C[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000511043818 1186352879 /nfs/dbraw/zinc/35/28/79/1186352879.db2.gz HIMDCUXUPVGJOG-OAHLLOKOSA-N 1 2 378.498 0.225 20 30 GCEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000178726591 1186737975 /nfs/dbraw/zinc/73/79/75/1186737975.db2.gz LXJSTKDYUNLSJG-HNNXBMFYSA-N 1 2 399.476 0.850 20 30 GCEDLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000162229804 1186747017 /nfs/dbraw/zinc/74/70/17/1186747017.db2.gz JXLRCRFPZGYAFA-GOSISDBHSA-N 1 2 390.509 0.570 20 30 GCEDLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000162229804 1186747019 /nfs/dbraw/zinc/74/70/19/1186747019.db2.gz JXLRCRFPZGYAFA-GOSISDBHSA-N 1 2 390.509 0.570 20 30 GCEDLO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@H]1C ZINC000584223246 1187018684 /nfs/dbraw/zinc/01/86/84/1187018684.db2.gz XCIILLWWBVVRJY-CQSZACIVSA-N 1 2 376.461 0.843 20 30 GCEDLO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@H]1C ZINC000584223246 1187018686 /nfs/dbraw/zinc/01/86/86/1187018686.db2.gz XCIILLWWBVVRJY-CQSZACIVSA-N 1 2 376.461 0.843 20 30 GCEDLO CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329753250 1187031490 /nfs/dbraw/zinc/03/14/90/1187031490.db2.gz JWZJXIFBYMFZJN-JKSUJKDBSA-N 1 2 380.489 0.525 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363708763 1187147701 /nfs/dbraw/zinc/14/77/01/1187147701.db2.gz KYELCUDDYICNCG-GOEBONIOSA-N 1 2 392.481 0.158 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1O ZINC001023916189 1187170544 /nfs/dbraw/zinc/17/05/44/1187170544.db2.gz OYLPDSWILUXOPE-BORJPKMPSA-N 1 2 376.457 0.402 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1O ZINC001023916225 1187170581 /nfs/dbraw/zinc/17/05/81/1187170581.db2.gz QFSZHZQPMTUMFL-FAJBIJEISA-N 1 2 390.484 0.412 20 30 GCEDLO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000171992335 1187356133 /nfs/dbraw/zinc/35/61/33/1187356133.db2.gz FCCINHKNSZOFBO-CQSZACIVSA-N 1 2 398.423 0.405 20 30 GCEDLO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000171992335 1187356136 /nfs/dbraw/zinc/35/61/36/1187356136.db2.gz FCCINHKNSZOFBO-CQSZACIVSA-N 1 2 398.423 0.405 20 30 GCEDLO C=CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000685799772 1187570979 /nfs/dbraw/zinc/57/09/79/1187570979.db2.gz DPSDAJXEPAHIHG-CVEARBPZSA-N 1 2 396.513 0.685 20 30 GCEDLO C=CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000685799772 1187570983 /nfs/dbraw/zinc/57/09/83/1187570983.db2.gz DPSDAJXEPAHIHG-CVEARBPZSA-N 1 2 396.513 0.685 20 30 GCEDLO Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1S(=O)(=O)NCC#N ZINC000413965291 1187618946 /nfs/dbraw/zinc/61/89/46/1187618946.db2.gz HCTZLQAGIHNYHW-UHFFFAOYSA-N 1 2 394.497 0.638 20 30 GCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000414107774 1187718617 /nfs/dbraw/zinc/71/86/17/1187718617.db2.gz KUQRJPKFYIAPNY-RHSMWYFYSA-N 1 2 375.385 0.568 20 30 GCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000414107774 1187718619 /nfs/dbraw/zinc/71/86/19/1187718619.db2.gz KUQRJPKFYIAPNY-RHSMWYFYSA-N 1 2 375.385 0.568 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568485 1187738481 /nfs/dbraw/zinc/73/84/81/1187738481.db2.gz XQAKHTLRDZDJDZ-MRXNPFEDSA-N 1 2 393.532 0.653 20 30 GCEDLO C#CCCCS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000376291114 1187751467 /nfs/dbraw/zinc/75/14/67/1187751467.db2.gz WTQOXVWEGUOYAH-MRXNPFEDSA-N 1 2 393.513 0.615 20 30 GCEDLO C#CCCCS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000376291114 1187751474 /nfs/dbraw/zinc/75/14/74/1187751474.db2.gz WTQOXVWEGUOYAH-MRXNPFEDSA-N 1 2 393.513 0.615 20 30 GCEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC000377475401 1188031702 /nfs/dbraw/zinc/03/17/02/1188031702.db2.gz FDUANSDIHAWIMD-UHFFFAOYSA-N 1 2 385.355 0.604 20 30 GCEDLO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000378500936 1189520061 /nfs/dbraw/zinc/52/00/61/1189520061.db2.gz YNWGPHQRTHORGV-OAHLLOKOSA-N 1 2 382.424 1.523 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000363920225 1189574858 /nfs/dbraw/zinc/57/48/58/1189574858.db2.gz LBTSPAURLVINBA-INIZCTEOSA-N 1 2 379.482 0.698 20 30 GCEDLO C#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000728813286 1189989646 /nfs/dbraw/zinc/98/96/46/1189989646.db2.gz KIHKCBMUQGYOPK-UHFFFAOYSA-N 1 2 399.476 0.340 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(F)c(F)c1)C2 ZINC001111513235 1190015514 /nfs/dbraw/zinc/01/55/14/1190015514.db2.gz XVPDWILMHCWFRB-LYRGGWFBSA-N 1 2 378.379 0.705 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccc(F)c(F)c1)C2 ZINC001111513235 1190015520 /nfs/dbraw/zinc/01/55/20/1190015520.db2.gz XVPDWILMHCWFRB-LYRGGWFBSA-N 1 2 378.379 0.705 20 30 GCEDLO Cc1c(C#N)cccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000513060948 1193841093 /nfs/dbraw/zinc/84/10/93/1193841093.db2.gz DOPSMSQOBSQVOK-UHFFFAOYSA-N 1 2 391.497 0.117 20 30 GCEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000419352556 1193847206 /nfs/dbraw/zinc/84/72/06/1193847206.db2.gz IPXPQQQGAQNLPJ-DLBZAZTESA-N 1 2 384.436 0.807 20 30 GCEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000419352556 1193847211 /nfs/dbraw/zinc/84/72/11/1193847211.db2.gz IPXPQQQGAQNLPJ-DLBZAZTESA-N 1 2 384.436 0.807 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 ZINC000729256890 1193909291 /nfs/dbraw/zinc/90/92/91/1193909291.db2.gz LPIHRNFHQZZGOH-UHFFFAOYSA-N 1 2 379.464 0.829 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 ZINC000729256890 1193909294 /nfs/dbraw/zinc/90/92/94/1193909294.db2.gz LPIHRNFHQZZGOH-UHFFFAOYSA-N 1 2 379.464 0.829 20 30 GCEDLO CCC(CC)(NC(=O)C1C[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1)C(N)=O ZINC000513272326 1193931301 /nfs/dbraw/zinc/93/13/01/1193931301.db2.gz QNYGTPNUOPSTSI-CQSZACIVSA-N 1 2 391.516 0.810 20 30 GCEDLO N#CC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC1 ZINC000419619482 1194070342 /nfs/dbraw/zinc/07/03/42/1194070342.db2.gz BIHCSLPKWKKCJT-UHFFFAOYSA-N 1 2 385.472 0.839 20 30 GCEDLO N#CC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC000419619482 1194070347 /nfs/dbraw/zinc/07/03/47/1194070347.db2.gz BIHCSLPKWKKCJT-UHFFFAOYSA-N 1 2 385.472 0.839 20 30 GCEDLO N#CCCn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000267946584 1194245362 /nfs/dbraw/zinc/24/53/62/1194245362.db2.gz IDNOHWGJJVDXLG-QGZVFWFLSA-N 1 2 396.451 0.752 20 30 GCEDLO N#CCCn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000267946584 1194245365 /nfs/dbraw/zinc/24/53/65/1194245365.db2.gz IDNOHWGJJVDXLG-QGZVFWFLSA-N 1 2 396.451 0.752 20 30 GCEDLO N#CCOc1ccc(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000272027613 1194431353 /nfs/dbraw/zinc/43/13/53/1194431353.db2.gz IYRMHPNUGDFEFQ-UHFFFAOYSA-N 1 2 386.408 0.602 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001269256752 1194445025 /nfs/dbraw/zinc/44/50/25/1194445025.db2.gz HAKGFHSOLAFASE-QBYUYEEZSA-N 1 2 378.473 0.346 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001269256752 1194445029 /nfs/dbraw/zinc/44/50/29/1194445029.db2.gz HAKGFHSOLAFASE-QBYUYEEZSA-N 1 2 378.473 0.346 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cc(C)[nH+]c(C)c3)CC2)c1C#N ZINC000422593599 1194670057 /nfs/dbraw/zinc/67/00/57/1194670057.db2.gz VFGOSIFKBAFLEQ-UHFFFAOYSA-N 1 2 395.467 0.577 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505349353 1194835483 /nfs/dbraw/zinc/83/54/83/1194835483.db2.gz CSSRZIWLWAYDSG-WMLDXEAASA-N 1 2 399.451 0.600 20 30 GCEDLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1S(=O)(=O)NCC#N ZINC000505530016 1194872260 /nfs/dbraw/zinc/87/22/60/1194872260.db2.gz LYLHHBNTAOEETD-QGZVFWFLSA-N 1 2 399.476 0.979 20 30 GCEDLO C[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)CCS)C[C@H]2c2cn(C)c[nH+]2)C[C@H](C)O1 ZINC001269883898 1194879541 /nfs/dbraw/zinc/87/95/41/1194879541.db2.gz XFRIIVAGSDPHPQ-LXTVHRRPSA-N 1 2 380.514 0.918 20 30 GCEDLO Cc1cc(C[N@@H+]2CCN(C(=O)CCS)C[C@@]3(CCCC(=O)N3)C2)n(C)n1 ZINC001269955802 1194927798 /nfs/dbraw/zinc/92/77/98/1194927798.db2.gz SMBMVJDAULUMAP-GOSISDBHSA-N 1 2 379.530 0.732 20 30 GCEDLO Cc1cc(C[N@H+]2CCN(C(=O)CCS)C[C@@]3(CCCC(=O)N3)C2)n(C)n1 ZINC001269955802 1194927801 /nfs/dbraw/zinc/92/78/01/1194927801.db2.gz SMBMVJDAULUMAP-GOSISDBHSA-N 1 2 379.530 0.732 20 30 GCEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000425379316 1194933450 /nfs/dbraw/zinc/93/34/50/1194933450.db2.gz CWAJKCCLEVOBMH-YJBOKZPZSA-N 1 2 388.468 0.229 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1OCC ZINC000983371758 1195028525 /nfs/dbraw/zinc/02/85/25/1195028525.db2.gz AUICVRRDQSCJGZ-MXASKKJJSA-N 1 2 376.457 0.523 20 30 GCEDLO Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1S(=O)(=O)NCC#N ZINC000517480289 1195186292 /nfs/dbraw/zinc/18/62/92/1195186292.db2.gz AKUSJGYLENQRAV-GJZGRUSLSA-N 1 2 394.497 0.636 20 30 GCEDLO C=CCSCC(=O)N1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001270478355 1195312538 /nfs/dbraw/zinc/31/25/38/1195312538.db2.gz AOTHIJXCZPBWLA-GOSISDBHSA-N 1 2 378.498 0.917 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncoc1[C@@H]1CCCO1 ZINC000329547201 1195426401 /nfs/dbraw/zinc/42/64/01/1195426401.db2.gz BZYBCUQIKILFCK-KBPBESRZSA-N 1 2 378.429 0.764 20 30 GCEDLO C#Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000120696532 1195446045 /nfs/dbraw/zinc/44/60/45/1195446045.db2.gz ZFOZTSMRJCKQAL-UHFFFAOYSA-N 1 2 382.464 0.763 20 30 GCEDLO C#Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000120696532 1195446047 /nfs/dbraw/zinc/44/60/47/1195446047.db2.gz ZFOZTSMRJCKQAL-UHFFFAOYSA-N 1 2 382.464 0.763 20 30 GCEDLO COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427042558 1195501975 /nfs/dbraw/zinc/50/19/75/1195501975.db2.gz DKDZEEHXXJCOMQ-AWEZNQCLSA-N 1 2 383.408 0.850 20 30 GCEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000519791242 1195570341 /nfs/dbraw/zinc/57/03/41/1195570341.db2.gz MFAVOSAEJOHXST-INIZCTEOSA-N 1 2 392.481 0.160 20 30 GCEDLO Cc1nc2n(n1)C[C@H](NC([O-])=[NH+]C[C@@]1([NH+]3CCOCC3)CCSC1)CC2 ZINC000328817610 1195666531 /nfs/dbraw/zinc/66/65/31/1195666531.db2.gz OYLIZPJUDUHIJG-PBHICJAKSA-N 1 2 380.518 0.613 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CCCO2)CC3)CC1 ZINC000328863252 1195671992 /nfs/dbraw/zinc/67/19/92/1195671992.db2.gz VVZFDWTUAXQIQH-YOEHRIQHSA-N 1 2 375.473 0.969 20 30 GCEDLO C[C@H](NC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)N1CCCCC1 ZINC000328883109 1195674093 /nfs/dbraw/zinc/67/40/93/1195674093.db2.gz NCUWZPZRZMSDNQ-ZDUSSCGKSA-N 1 2 379.461 0.565 20 30 GCEDLO NC(=O)NC[C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000328883345 1195674140 /nfs/dbraw/zinc/67/41/40/1195674140.db2.gz XVCONYHRHYWBJA-OAHLLOKOSA-N 1 2 390.492 0.307 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000328958780 1195682317 /nfs/dbraw/zinc/68/23/17/1195682317.db2.gz JVZXKIOLSFNWLV-FCGDIQPGSA-N 1 2 378.517 0.541 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000328958780 1195682319 /nfs/dbraw/zinc/68/23/19/1195682319.db2.gz JVZXKIOLSFNWLV-FCGDIQPGSA-N 1 2 378.517 0.541 20 30 GCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330759118 1195706235 /nfs/dbraw/zinc/70/62/35/1195706235.db2.gz LYIOUAVNIYGPIZ-SJORKVTESA-N 1 2 387.546 0.926 20 30 GCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330759118 1195706238 /nfs/dbraw/zinc/70/62/38/1195706238.db2.gz LYIOUAVNIYGPIZ-SJORKVTESA-N 1 2 387.546 0.926 20 30 GCEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C(=O)N1CCCC[C@H]1C ZINC000331245480 1195725517 /nfs/dbraw/zinc/72/55/17/1195725517.db2.gz PHUXPQJFDUSWKZ-QLFBSQMISA-N 1 2 383.493 0.858 20 30 GCEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C(=O)N1CCCC[C@H]1C ZINC000331245480 1195725521 /nfs/dbraw/zinc/72/55/21/1195725521.db2.gz PHUXPQJFDUSWKZ-QLFBSQMISA-N 1 2 383.493 0.858 20 30 GCEDLO C=CCn1c(-c2ncccn2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000417462091 1195748715 /nfs/dbraw/zinc/74/87/15/1195748715.db2.gz WFQRGUSCZFFDQG-UHFFFAOYSA-N 1 2 384.488 0.912 20 30 GCEDLO C=CC[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000066559472 1195846916 /nfs/dbraw/zinc/84/69/16/1195846916.db2.gz FXRQQOPWNULSKM-KRWDZBQOSA-N 1 2 392.525 0.795 20 30 GCEDLO C=CC[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000066559472 1195846919 /nfs/dbraw/zinc/84/69/19/1195846919.db2.gz FXRQQOPWNULSKM-KRWDZBQOSA-N 1 2 392.525 0.795 20 30 GCEDLO N#Cc1ccc([C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)C(N)=O)cc1 ZINC000442088822 1195953681 /nfs/dbraw/zinc/95/36/81/1195953681.db2.gz ARQXGBULWAQKMO-MRXNPFEDSA-N 1 2 394.403 0.931 20 30 GCEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000521829907 1196018989 /nfs/dbraw/zinc/01/89/89/1196018989.db2.gz GEXVHUGKDZEMQW-CEXWTWQISA-N 1 2 382.464 0.711 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000895916105 1196117892 /nfs/dbraw/zinc/11/78/92/1196117892.db2.gz VTUKMHFKWJUARU-UHFFFAOYSA-N 1 2 376.482 0.954 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001087970037 1196140770 /nfs/dbraw/zinc/14/07/70/1196140770.db2.gz BELONUDQKIEMRD-QXSJWSMHSA-N 1 2 375.473 0.370 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001087970037 1196140773 /nfs/dbraw/zinc/14/07/73/1196140773.db2.gz BELONUDQKIEMRD-QXSJWSMHSA-N 1 2 375.473 0.370 20 30 GCEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000329187680 1196173927 /nfs/dbraw/zinc/17/39/27/1196173927.db2.gz QXHWXBOMUPYANV-HZPDHXFCSA-N 1 2 387.550 0.036 20 30 GCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000329239126 1196178885 /nfs/dbraw/zinc/17/88/85/1196178885.db2.gz QCHXATINXSKEGO-AGIUHOORSA-N 1 2 378.395 0.859 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329362804 1196188900 /nfs/dbraw/zinc/18/89/00/1196188900.db2.gz IYNBBWHFMRCKKV-IAGOWNOFSA-N 1 2 379.461 0.641 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCCn4ncnc43)ccn2)CC1 ZINC000329468388 1196199013 /nfs/dbraw/zinc/19/90/13/1196199013.db2.gz WVNGECPFQWHXNP-AWEZNQCLSA-N 1 2 384.444 0.731 20 30 GCEDLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000329540493 1196204635 /nfs/dbraw/zinc/20/46/35/1196204635.db2.gz CZDGCKOKAVYUBW-DGCLKSJQSA-N 1 2 387.506 0.381 20 30 GCEDLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000329540493 1196204638 /nfs/dbraw/zinc/20/46/38/1196204638.db2.gz CZDGCKOKAVYUBW-DGCLKSJQSA-N 1 2 387.506 0.381 20 30 GCEDLO CCS(=O)(=O)N1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000329603514 1196209073 /nfs/dbraw/zinc/20/90/73/1196209073.db2.gz LJVACZWMMNHZKR-INIZCTEOSA-N 1 2 388.534 0.511 20 30 GCEDLO CC(C)C(=O)N1CCC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000329752795 1196229675 /nfs/dbraw/zinc/22/96/75/1196229675.db2.gz JRQIKOGSCSXCPH-KRWDZBQOSA-N 1 2 394.516 0.771 20 30 GCEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000329781513 1196231230 /nfs/dbraw/zinc/23/12/30/1196231230.db2.gz SUQYVXCJAJHUJF-IBGZPJMESA-N 1 2 387.488 0.955 20 30 GCEDLO COCC[NH+]1CCN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 ZINC000329810326 1196232562 /nfs/dbraw/zinc/23/25/62/1196232562.db2.gz CHRIQVYYAXHGDC-UHFFFAOYSA-N 1 2 390.488 0.279 20 30 GCEDLO CC(=O)N1CCC(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000330007560 1196245646 /nfs/dbraw/zinc/24/56/46/1196245646.db2.gz DQUCLMMJNDPJCD-UHFFFAOYSA-N 1 2 378.477 0.800 20 30 GCEDLO C[C@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)[C@H](C)[NH+]1CCOCC1 ZINC000330004146 1196245974 /nfs/dbraw/zinc/24/59/74/1196245974.db2.gz AVZAKECFXKAAIC-SUNYJGFJSA-N 1 2 396.488 0.872 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000330044286 1196248177 /nfs/dbraw/zinc/24/81/77/1196248177.db2.gz FRSHMMUCKXFWTB-OCCSQVGLSA-N 1 2 392.460 0.733 20 30 GCEDLO CCO[C@@H]1C[C@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@H]1OC ZINC000330119670 1196253780 /nfs/dbraw/zinc/25/37/80/1196253780.db2.gz IKYQPIXLNYOIAR-USXIJHARSA-N 1 2 391.472 0.797 20 30 GCEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000330170305 1196257359 /nfs/dbraw/zinc/25/73/59/1196257359.db2.gz WZWSEBCUVOVGEN-SUMWQHHRSA-N 1 2 379.486 0.927 20 30 GCEDLO O=C(Cn1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cn1)N1CCOCC1 ZINC000330274823 1196262838 /nfs/dbraw/zinc/26/28/38/1196262838.db2.gz KRUOTFAPUOWAPM-UHFFFAOYSA-N 1 2 387.444 0.890 20 30 GCEDLO C[C@H](NC(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000330326843 1196284662 /nfs/dbraw/zinc/28/46/62/1196284662.db2.gz KKLYRHDHDAIRBO-IHRRRGAJSA-N 1 2 379.465 0.037 20 30 GCEDLO C=CCN1CC[C@H](N(C)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1=O ZINC000281417436 1196296280 /nfs/dbraw/zinc/29/62/80/1196296280.db2.gz QCGDZKUSHCPEJJ-INIZCTEOSA-N 1 2 376.461 0.466 20 30 GCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000330362599 1196303462 /nfs/dbraw/zinc/30/34/62/1196303462.db2.gz ZSIBSQGBZLOYJF-RDTXWAMCSA-N 1 2 390.488 0.450 20 30 GCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000330362599 1196303464 /nfs/dbraw/zinc/30/34/64/1196303464.db2.gz ZSIBSQGBZLOYJF-RDTXWAMCSA-N 1 2 390.488 0.450 20 30 GCEDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1 ZINC000281868526 1196341418 /nfs/dbraw/zinc/34/14/18/1196341418.db2.gz ASGJMUBBCSWGLA-INIZCTEOSA-N 1 2 395.529 0.743 20 30 GCEDLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCOCC1 ZINC000444600840 1196509341 /nfs/dbraw/zinc/50/93/41/1196509341.db2.gz UVRSBSADLLOGAJ-HNNXBMFYSA-N 1 2 376.461 0.598 20 30 GCEDLO Cc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1S(=O)(=O)NCC#N ZINC000447662264 1196737889 /nfs/dbraw/zinc/73/78/89/1196737889.db2.gz WBQUCDWPEGNOCB-OAHLLOKOSA-N 1 2 394.497 0.590 20 30 GCEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](CC(=O)NC3(C#N)CCC3)CC2)n1 ZINC000527384914 1196783288 /nfs/dbraw/zinc/78/32/88/1196783288.db2.gz YCKHKYUDMZJXOT-CQSZACIVSA-N 1 2 376.461 0.847 20 30 GCEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)CC2)n1 ZINC000527384914 1196783293 /nfs/dbraw/zinc/78/32/93/1196783293.db2.gz YCKHKYUDMZJXOT-CQSZACIVSA-N 1 2 376.461 0.847 20 30 GCEDLO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448497675 1196810772 /nfs/dbraw/zinc/81/07/72/1196810772.db2.gz VRKRTSJKHSHQGK-UHFFFAOYSA-N 1 2 396.451 0.684 20 30 GCEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000528420915 1196859602 /nfs/dbraw/zinc/85/96/02/1196859602.db2.gz MDEPEBUHEROQLQ-KRWDZBQOSA-N 1 2 382.420 0.857 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]3CCOCC3)CC2)c1C#N ZINC000530408309 1196985581 /nfs/dbraw/zinc/98/55/81/1196985581.db2.gz TWSURKOWWYJZJT-HOCLYGCPSA-N 1 2 389.504 0.541 20 30 GCEDLO C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1C(=O)c1cnn(C)c1 ZINC000452055740 1197036538 /nfs/dbraw/zinc/03/65/38/1197036538.db2.gz SLMRLVLJHRVORU-MAUKXSAKSA-N 1 2 383.452 0.878 20 30 GCEDLO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1C(=O)c1cnn(C)c1 ZINC000452055740 1197036542 /nfs/dbraw/zinc/03/65/42/1197036542.db2.gz SLMRLVLJHRVORU-MAUKXSAKSA-N 1 2 383.452 0.878 20 30 GCEDLO Cc1nc(N2CCN(C(=O)C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)cc[nH+]1 ZINC000453684815 1197122831 /nfs/dbraw/zinc/12/28/31/1197122831.db2.gz FBYOVVSSTKGWFU-UHFFFAOYSA-N 1 2 385.815 0.992 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000532210646 1197126760 /nfs/dbraw/zinc/12/67/60/1197126760.db2.gz WCUQXEMNLXBLRQ-UONOGXRCSA-N 1 2 380.470 0.062 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000532210646 1197126761 /nfs/dbraw/zinc/12/67/61/1197126761.db2.gz WCUQXEMNLXBLRQ-UONOGXRCSA-N 1 2 380.470 0.062 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000453746167 1197128418 /nfs/dbraw/zinc/12/84/18/1197128418.db2.gz GTTGFFGXHRUFMD-NSHDSACASA-N 1 2 393.831 0.641 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000453746167 1197128420 /nfs/dbraw/zinc/12/84/20/1197128420.db2.gz GTTGFFGXHRUFMD-NSHDSACASA-N 1 2 393.831 0.641 20 30 GCEDLO N#Cc1ccc(CN2CC[C@@H](N3C(=O)N[C@@H](Cc4c[nH]c[nH+]4)C3=O)C2=O)cc1 ZINC000348558930 1197237889 /nfs/dbraw/zinc/23/78/89/1197237889.db2.gz WYWOSEPAPAPYKO-JKSUJKDBSA-N 1 2 378.392 0.545 20 30 GCEDLO N#Cc1ccc(CN2CC[C@@H](N3C(=O)N[C@@H](Cc4c[nH+]c[nH]4)C3=O)C2=O)cc1 ZINC000348558930 1197237893 /nfs/dbraw/zinc/23/78/93/1197237893.db2.gz WYWOSEPAPAPYKO-JKSUJKDBSA-N 1 2 378.392 0.545 20 30 GCEDLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccccc2CC#N)cn1 ZINC000475822322 1197248023 /nfs/dbraw/zinc/24/80/23/1197248023.db2.gz TZXPEKBXBQLWIU-UHFFFAOYSA-N 1 2 390.469 0.428 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000112904111 1197335262 /nfs/dbraw/zinc/33/52/62/1197335262.db2.gz YCTKNQPDDVXHFP-KRWDZBQOSA-N 1 2 390.528 0.745 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000112904111 1197335263 /nfs/dbraw/zinc/33/52/63/1197335263.db2.gz YCTKNQPDDVXHFP-KRWDZBQOSA-N 1 2 390.528 0.745 20 30 GCEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000105172046 1197382803 /nfs/dbraw/zinc/38/28/03/1197382803.db2.gz SHNQGPREORFBDB-LJQANCHMSA-N 1 2 386.496 0.928 20 30 GCEDLO CCn1c(N)c(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(=O)[nH]c1=O ZINC000052801138 1197385955 /nfs/dbraw/zinc/38/59/55/1197385955.db2.gz KTOJHFNVZITTEL-UHFFFAOYSA-N 1 2 396.451 0.405 20 30 GCEDLO CCn1c(N)c(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(=O)[nH]c1=O ZINC000052801138 1197385958 /nfs/dbraw/zinc/38/59/58/1197385958.db2.gz KTOJHFNVZITTEL-UHFFFAOYSA-N 1 2 396.451 0.405 20 30 GCEDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000130194913 1197393023 /nfs/dbraw/zinc/39/30/23/1197393023.db2.gz NGSZDCUZUQGDCE-PKOBYXMFSA-N 1 2 386.496 0.926 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)NC(=O)C2CCCC2)CC1 ZINC000078678614 1197506487 /nfs/dbraw/zinc/50/64/87/1197506487.db2.gz BLPVXJRLIYFCHZ-MRXNPFEDSA-N 1 2 376.501 0.355 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)NC(=O)C2CCCC2)CC1 ZINC000078678614 1197506491 /nfs/dbraw/zinc/50/64/91/1197506491.db2.gz BLPVXJRLIYFCHZ-MRXNPFEDSA-N 1 2 376.501 0.355 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000273177995 1197563129 /nfs/dbraw/zinc/56/31/29/1197563129.db2.gz JFMIRGYSRIPNFB-UHFFFAOYSA-N 1 2 378.473 0.137 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000273177995 1197563132 /nfs/dbraw/zinc/56/31/32/1197563132.db2.gz JFMIRGYSRIPNFB-UHFFFAOYSA-N 1 2 378.473 0.137 20 30 GCEDLO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000272893089 1197565372 /nfs/dbraw/zinc/56/53/72/1197565372.db2.gz XFDWKNPZHZEZIY-QZTJIDSGSA-N 1 2 395.525 0.769 20 30 GCEDLO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000272893089 1197565375 /nfs/dbraw/zinc/56/53/75/1197565375.db2.gz XFDWKNPZHZEZIY-QZTJIDSGSA-N 1 2 395.525 0.769 20 30 GCEDLO COc1ccc(C(=O)NO)cc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671997447 1198989877 /nfs/dbraw/zinc/98/98/77/1198989877.db2.gz DUXPTJABMFJWNC-UHFFFAOYSA-N 1 2 392.437 0.720 20 30 GCEDLO C=CCn1c(-c2cn[nH]c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000624844739 1199141028 /nfs/dbraw/zinc/14/10/28/1199141028.db2.gz IEWJNVJMWGOUFT-OAHLLOKOSA-N 1 2 384.488 0.987 20 30 GCEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nn1 ZINC001002758019 1199255212 /nfs/dbraw/zinc/25/52/12/1199255212.db2.gz DKURGJBDWLMDFX-IETPZCKNSA-N 1 2 395.467 0.863 20 30 GCEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCSC[C@@H]2CO)CC1 ZINC000543188276 1199571474 /nfs/dbraw/zinc/57/14/74/1199571474.db2.gz VVKOZGOKQBWCNY-ROUUACIJSA-N 1 2 392.500 0.944 20 30 GCEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2CO)CC1 ZINC000543188276 1199571477 /nfs/dbraw/zinc/57/14/77/1199571477.db2.gz VVKOZGOKQBWCNY-ROUUACIJSA-N 1 2 392.500 0.944 20 30 GCEDLO CN(CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000328920913 1199827338 /nfs/dbraw/zinc/82/73/38/1199827338.db2.gz TUKZXYSDAOHUPY-IRXDYDNUSA-N 1 2 392.481 0.110 20 30 GCEDLO CN(CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000328920913 1199827342 /nfs/dbraw/zinc/82/73/42/1199827342.db2.gz TUKZXYSDAOHUPY-IRXDYDNUSA-N 1 2 392.481 0.110 20 30 GCEDLO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000282364897 1199837351 /nfs/dbraw/zinc/83/73/51/1199837351.db2.gz UBRSQDMBBDJDCB-INIZCTEOSA-N 1 2 398.515 0.998 20 30 GCEDLO N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000509005133 1199856892 /nfs/dbraw/zinc/85/68/92/1199856892.db2.gz SKBHBXBJGMXLDN-UHFFFAOYSA-N 1 2 380.408 0.581 20 30 GCEDLO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000624986224 1199877009 /nfs/dbraw/zinc/87/70/09/1199877009.db2.gz FITIFUGDTGKXFX-UHFFFAOYSA-N 1 2 384.488 0.989 20 30 GCEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000625137634 1199910197 /nfs/dbraw/zinc/91/01/97/1199910197.db2.gz OXMJIMCHDZTWMK-AWEZNQCLSA-N 1 2 375.450 0.300 20 30 GCEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000625137634 1199910198 /nfs/dbraw/zinc/91/01/98/1199910198.db2.gz 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C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000732660976 1201554163 /nfs/dbraw/zinc/55/41/63/1201554163.db2.gz FUXGRLDPYRAFLW-INIZCTEOSA-N 1 2 391.497 0.199 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000733148696 1201576925 /nfs/dbraw/zinc/57/69/25/1201576925.db2.gz IEERFFIAJQCOBW-FQEVSTJZSA-N 1 2 393.491 0.811 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000733148696 1201576931 /nfs/dbraw/zinc/57/69/31/1201576931.db2.gz IEERFFIAJQCOBW-FQEVSTJZSA-N 1 2 393.491 0.811 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCNC(=O)c2cccs2)CC1 ZINC000733149821 1201577045 /nfs/dbraw/zinc/57/70/45/1201577045.db2.gz SMDUNYYLCRFSEH-UHFFFAOYSA-N 1 2 376.482 0.152 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCNC(=O)c2cccs2)CC1 ZINC000733149821 1201577052 /nfs/dbraw/zinc/57/70/52/1201577052.db2.gz SMDUNYYLCRFSEH-UHFFFAOYSA-N 1 2 376.482 0.152 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3CCNC3=O)c(C)c2)CC1 ZINC000733148931 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CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#Cc1ccccc1 ZINC001108877331 1201977822 /nfs/dbraw/zinc/97/78/22/1201977822.db2.gz WPWUCKDLVUIXQF-QYZOEREBSA-N 1 2 382.464 0.012 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCCO1)C2 ZINC001108968408 1201985720 /nfs/dbraw/zinc/98/57/20/1201985720.db2.gz XMIXWGLUKISUER-UGUYLWEFSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCCO1)C2 ZINC001108968408 1201985722 /nfs/dbraw/zinc/98/57/22/1201985722.db2.gz XMIXWGLUKISUER-UGUYLWEFSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC1CC1)C2 ZINC001108982452 1201986869 /nfs/dbraw/zinc/98/68/69/1201986869.db2.gz KFVDMHWYTSVFAE-OJLVUWQFSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC1CC1)C2 ZINC001108982452 1201986871 /nfs/dbraw/zinc/98/68/71/1201986871.db2.gz KFVDMHWYTSVFAE-OJLVUWQFSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C)C2 ZINC001109012435 1201989288 /nfs/dbraw/zinc/98/92/88/1201989288.db2.gz XLKYQBZWPFJOKX-ZZVYKPCYSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C)C2 ZINC001109012435 1201989289 /nfs/dbraw/zinc/98/92/89/1201989289.db2.gz XLKYQBZWPFJOKX-ZZVYKPCYSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109038295 1201991935 /nfs/dbraw/zinc/99/19/35/1201991935.db2.gz PHPLTYKXAFUOHY-OJLVUWQFSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109038295 1201991937 /nfs/dbraw/zinc/99/19/37/1201991937.db2.gz PHPLTYKXAFUOHY-OJLVUWQFSA-N 1 2 378.473 0.677 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(=O)CC)C3)c1 ZINC001109076300 1201993329 /nfs/dbraw/zinc/99/33/29/1201993329.db2.gz XDJFJHPHPSXJLG-SQNIBIBYSA-N 1 2 382.464 0.854 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CNC(=O)CC)C3)c1 ZINC001109076300 1201993330 /nfs/dbraw/zinc/99/33/30/1201993330.db2.gz XDJFJHPHPSXJLG-SQNIBIBYSA-N 1 2 382.464 0.854 20 30 GCEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109121915 1201997394 /nfs/dbraw/zinc/99/73/94/1201997394.db2.gz OIUUNOYPROTUJP-BDXSIMOUSA-N 1 2 379.501 0.843 20 30 GCEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001109121915 1201997395 /nfs/dbraw/zinc/99/73/95/1201997395.db2.gz OIUUNOYPROTUJP-BDXSIMOUSA-N 1 2 379.501 0.843 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cn1)C2 ZINC001109174513 1202001343 /nfs/dbraw/zinc/00/13/43/1202001343.db2.gz PTVYIMUSTQIJFD-SNPRPXQTSA-N 1 2 375.404 0.568 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cn1)C2 ZINC001109174513 1202001346 /nfs/dbraw/zinc/00/13/46/1202001346.db2.gz PTVYIMUSTQIJFD-SNPRPXQTSA-N 1 2 375.404 0.568 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001109175833 1202001383 /nfs/dbraw/zinc/00/13/83/1202001383.db2.gz YMEVLQRFRYZPJK-BGTYHANMSA-N 1 2 382.464 0.875 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC001109175833 1202001385 /nfs/dbraw/zinc/00/13/85/1202001385.db2.gz YMEVLQRFRYZPJK-BGTYHANMSA-N 1 2 382.464 0.875 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C)n1)C2 ZINC001109188837 1202003001 /nfs/dbraw/zinc/00/30/01/1202003001.db2.gz UJSIERMOPIHKOI-QJZXMWHDSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C)n1)C2 ZINC001109188837 1202003002 /nfs/dbraw/zinc/00/30/02/1202003002.db2.gz UJSIERMOPIHKOI-QJZXMWHDSA-N 1 2 375.429 0.718 20 30 GCEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCCC ZINC001109270203 1202010431 /nfs/dbraw/zinc/01/04/31/1202010431.db2.gz VWJITWLQCXGCMU-WCVJEAGWSA-N 1 2 378.473 0.372 20 30 GCEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCCC ZINC001109270203 1202010432 /nfs/dbraw/zinc/01/04/32/1202010432.db2.gz VWJITWLQCXGCMU-WCVJEAGWSA-N 1 2 378.473 0.372 20 30 GCEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109267165 1202010568 /nfs/dbraw/zinc/01/05/68/1202010568.db2.gz LVLSFRJEANGRNL-WCVJEAGWSA-N 1 2 378.473 0.228 20 30 GCEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109267165 1202010571 /nfs/dbraw/zinc/01/05/71/1202010571.db2.gz LVLSFRJEANGRNL-WCVJEAGWSA-N 1 2 378.473 0.228 20 30 GCEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109270546 1202010589 /nfs/dbraw/zinc/01/05/89/1202010589.db2.gz LFLZXBXXOPEVTP-ILXRZTDVSA-N 1 2 378.473 0.372 20 30 GCEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109270546 1202010591 /nfs/dbraw/zinc/01/05/91/1202010591.db2.gz LFLZXBXXOPEVTP-ILXRZTDVSA-N 1 2 378.473 0.372 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1c(C)nn(C)c1C)C2 ZINC001109293834 1202014938 /nfs/dbraw/zinc/01/49/38/1202014938.db2.gz IGVNPEZUVINAPP-PMPSAXMXSA-N 1 2 375.473 0.439 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1c(C)nn(C)c1C)C2 ZINC001109293834 1202014940 /nfs/dbraw/zinc/01/49/40/1202014940.db2.gz IGVNPEZUVINAPP-PMPSAXMXSA-N 1 2 375.473 0.439 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CC1)C2 ZINC001109294004 1202015070 /nfs/dbraw/zinc/01/50/70/1202015070.db2.gz KNXFHWCDYRACLH-AESZEHBQSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CC1)C2 ZINC001109294004 1202015071 /nfs/dbraw/zinc/01/50/71/1202015071.db2.gz KNXFHWCDYRACLH-AESZEHBQSA-N 1 2 378.473 0.535 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C2 ZINC001109301505 1202017540 /nfs/dbraw/zinc/01/75/40/1202017540.db2.gz BIYDUMPSPFVZGO-JGLNRKDHSA-N 1 2 382.464 0.630 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccncc1)C2 ZINC001109301505 1202017542 /nfs/dbraw/zinc/01/75/42/1202017542.db2.gz BIYDUMPSPFVZGO-JGLNRKDHSA-N 1 2 382.464 0.630 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC ZINC001109303139 1202017965 /nfs/dbraw/zinc/01/79/65/1202017965.db2.gz GSQXDXWRPBBSKZ-OWYFMNJBSA-N 1 2 378.473 0.535 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC ZINC001109303139 1202017969 /nfs/dbraw/zinc/01/79/69/1202017969.db2.gz GSQXDXWRPBBSKZ-OWYFMNJBSA-N 1 2 378.473 0.535 20 30 GCEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)N[C@H](C)COC ZINC001109349530 1202022564 /nfs/dbraw/zinc/02/25/64/1202022564.db2.gz MMZVSRAWJFEDPY-WCVJEAGWSA-N 1 2 380.489 0.925 20 30 GCEDLO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)N[C@H](C)COC ZINC001109349530 1202022567 /nfs/dbraw/zinc/02/25/67/1202022567.db2.gz MMZVSRAWJFEDPY-WCVJEAGWSA-N 1 2 380.489 0.925 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C2 ZINC001109415045 1202042654 /nfs/dbraw/zinc/04/26/54/1202042654.db2.gz AUWODVFZMGSSQT-QLCXLMDBSA-N 1 2 399.495 0.359 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C2 ZINC001109415045 1202042655 /nfs/dbraw/zinc/04/26/55/1202042655.db2.gz AUWODVFZMGSSQT-QLCXLMDBSA-N 1 2 399.495 0.359 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cncn3)cc1)C2 ZINC001109421664 1202045471 /nfs/dbraw/zinc/04/54/71/1202045471.db2.gz FPYOFJGGISCJTA-IKGGRYGDSA-N 1 2 379.424 0.242 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cncn3)cc1)C2 ZINC001109421664 1202045474 /nfs/dbraw/zinc/04/54/74/1202045474.db2.gz FPYOFJGGISCJTA-IKGGRYGDSA-N 1 2 379.424 0.242 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsn1)C2 ZINC001109437637 1202049977 /nfs/dbraw/zinc/04/99/77/1202049977.db2.gz FRTWIZJVYBZAOS-RFHZTLPTSA-N 1 2 377.470 0.879 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsn1)C2 ZINC001109437637 1202049979 /nfs/dbraw/zinc/04/99/79/1202049979.db2.gz FRTWIZJVYBZAOS-RFHZTLPTSA-N 1 2 377.470 0.879 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(N3CCCC3)n1)C2 ZINC001109467187 1202057335 /nfs/dbraw/zinc/05/73/35/1202057335.db2.gz NFTZLAUHUDRZLJ-PVAVHDDUSA-N 1 2 382.468 0.161 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(N3CCCC3)n1)C2 ZINC001109467187 1202057337 /nfs/dbraw/zinc/05/73/37/1202057337.db2.gz NFTZLAUHUDRZLJ-PVAVHDDUSA-N 1 2 382.468 0.161 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)C2 ZINC001109470257 1202058339 /nfs/dbraw/zinc/05/83/39/1202058339.db2.gz UEUZLYDHXZWKKX-QJZXMWHDSA-N 1 2 382.424 0.137 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)C2 ZINC001109470257 1202058341 /nfs/dbraw/zinc/05/83/41/1202058341.db2.gz UEUZLYDHXZWKKX-QJZXMWHDSA-N 1 2 382.424 0.137 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccccc3)c1)C2 ZINC001109496836 1202064877 /nfs/dbraw/zinc/06/48/77/1202064877.db2.gz QXVPCEJTFWVSOV-QYZOEREBSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccccc3)c1)C2 ZINC001109496836 1202064880 /nfs/dbraw/zinc/06/48/80/1202064880.db2.gz QXVPCEJTFWVSOV-QYZOEREBSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)(F)F)ncn1)C2 ZINC001109514711 1202070029 /nfs/dbraw/zinc/07/00/29/1202070029.db2.gz YMTXHKGIGUNFLM-MDZLAQPJSA-N 1 2 381.358 0.580 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)(F)F)ncn1)C2 ZINC001109514711 1202070030 /nfs/dbraw/zinc/07/00/30/1202070030.db2.gz YMTXHKGIGUNFLM-MDZLAQPJSA-N 1 2 381.358 0.580 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COC)CC1)C2 ZINC001109523529 1202070494 /nfs/dbraw/zinc/07/04/94/1202070494.db2.gz YFACWJFNDIFWQR-KBXIAJHMSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COC)CC1)C2 ZINC001109523529 1202070495 /nfs/dbraw/zinc/07/04/95/1202070495.db2.gz YFACWJFNDIFWQR-KBXIAJHMSA-N 1 2 378.473 0.535 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(Br)c1)C2 ZINC001109540598 1202073147 /nfs/dbraw/zinc/07/31/47/1202073147.db2.gz DGDGVWXPIYJWRG-WOPDTQHZSA-N 1 2 380.246 0.752 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(Br)c1)C2 ZINC001109540598 1202073148 /nfs/dbraw/zinc/07/31/48/1202073148.db2.gz DGDGVWXPIYJWRG-WOPDTQHZSA-N 1 2 380.246 0.752 20 30 GCEDLO CCc1nc2c(nccc2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)[nH]1 ZINC001109545781 1202077481 /nfs/dbraw/zinc/07/74/81/1202077481.db2.gz MRLHSJJGWGSKKU-XBFCOCLRSA-N 1 2 381.440 0.495 20 30 GCEDLO CCc1nc2c(nccc2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)[nH]1 ZINC001109545781 1202077484 /nfs/dbraw/zinc/07/74/84/1202077484.db2.gz MRLHSJJGWGSKKU-XBFCOCLRSA-N 1 2 381.440 0.495 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1N(C)C(C)=O)C2 ZINC001109576777 1202082066 /nfs/dbraw/zinc/08/20/66/1202082066.db2.gz AFYAQDIVRBKBGQ-AYBZRNKSSA-N 1 2 382.464 0.754 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1N(C)C(C)=O)C2 ZINC001109576777 1202082070 /nfs/dbraw/zinc/08/20/70/1202082070.db2.gz AFYAQDIVRBKBGQ-AYBZRNKSSA-N 1 2 382.464 0.754 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccn3)nc1)C2 ZINC001109579044 1202083557 /nfs/dbraw/zinc/08/35/57/1202083557.db2.gz ABKKNFULLBXLEN-IKGGRYGDSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccn3)nc1)C2 ZINC001109579044 1202083558 /nfs/dbraw/zinc/08/35/58/1202083558.db2.gz ABKKNFULLBXLEN-IKGGRYGDSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-c3nc[nH]n3)c1)C2 ZINC001109588736 1202086521 /nfs/dbraw/zinc/08/65/21/1202086521.db2.gz RSZHIOKVDJBIGB-IKGGRYGDSA-N 1 2 378.436 0.556 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-c3nc[nH]n3)c1)C2 ZINC001109588736 1202086523 /nfs/dbraw/zinc/08/65/23/1202086523.db2.gz RSZHIOKVDJBIGB-IKGGRYGDSA-N 1 2 378.436 0.556 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C2 ZINC001109639137 1202094858 /nfs/dbraw/zinc/09/48/58/1202094858.db2.gz PYRJNDJLVOMDGM-CRWXNKLISA-N 1 2 376.423 0.893 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)N(C)CC(F)(F)F)C2 ZINC001109639137 1202094861 /nfs/dbraw/zinc/09/48/61/1202094861.db2.gz PYRJNDJLVOMDGM-CRWXNKLISA-N 1 2 376.423 0.893 20 30 GCEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)N(C)CC(F)(F)F ZINC001109639682 1202095109 /nfs/dbraw/zinc/09/51/09/1202095109.db2.gz YURXMRPJRLJPAN-NDBYEHHHSA-N 1 2 375.395 0.230 20 30 GCEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)N(C)CC(F)(F)F ZINC001109639682 1202095113 /nfs/dbraw/zinc/09/51/13/1202095113.db2.gz YURXMRPJRLJPAN-NDBYEHHHSA-N 1 2 375.395 0.230 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC1CCC1)NC(C)=O)C2 ZINC001109640637 1202095224 /nfs/dbraw/zinc/09/52/24/1202095224.db2.gz QJQIOZPTCSMETG-XDNAFOTISA-N 1 2 376.501 0.705 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC1CCC1)NC(C)=O)C2 ZINC001109640637 1202095226 /nfs/dbraw/zinc/09/52/26/1202095226.db2.gz QJQIOZPTCSMETG-XDNAFOTISA-N 1 2 376.501 0.705 20 30 GCEDLO Cc1ccc2ncn(CC(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@@H+]4CC(=O)NCC#N)c2c1 ZINC001109641432 1202095936 /nfs/dbraw/zinc/09/59/36/1202095936.db2.gz CKNMHUTWMVMPQD-PVAVHDDUSA-N 1 2 380.452 0.706 20 30 GCEDLO Cc1ccc2ncn(CC(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@H+]4CC(=O)NCC#N)c2c1 ZINC001109641432 1202095937 /nfs/dbraw/zinc/09/59/37/1202095937.db2.gz CKNMHUTWMVMPQD-PVAVHDDUSA-N 1 2 380.452 0.706 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnoc1)C2 ZINC001109636608 1202096220 /nfs/dbraw/zinc/09/62/20/1202096220.db2.gz MINVICKNTJXYPB-RZFFKMDDSA-N 1 2 375.429 0.339 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnoc1)C2 ZINC001109636608 1202096221 /nfs/dbraw/zinc/09/62/21/1202096221.db2.gz MINVICKNTJXYPB-RZFFKMDDSA-N 1 2 375.429 0.339 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCCO2)c1 ZINC001109696477 1202104777 /nfs/dbraw/zinc/10/47/77/1202104777.db2.gz DCZTXBAZXZWBBX-XWSJACJDSA-N 1 2 382.464 0.693 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCCO2)c1 ZINC001109696477 1202104779 /nfs/dbraw/zinc/10/47/79/1202104779.db2.gz DCZTXBAZXZWBBX-XWSJACJDSA-N 1 2 382.464 0.693 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)c1)C2 ZINC001109698602 1202105084 /nfs/dbraw/zinc/10/50/84/1202105084.db2.gz MFFABWKCZBTLSS-PVAVHDDUSA-N 1 2 379.424 0.242 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)c1)C2 ZINC001109698602 1202105086 /nfs/dbraw/zinc/10/50/86/1202105086.db2.gz MFFABWKCZBTLSS-PVAVHDDUSA-N 1 2 379.424 0.242 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C2 ZINC001109724539 1202110507 /nfs/dbraw/zinc/11/05/07/1202110507.db2.gz XVLJQKLXPFCRJE-ALYAQQCSSA-N 1 2 389.500 0.194 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C2 ZINC001109724539 1202110509 /nfs/dbraw/zinc/11/05/09/1202110509.db2.gz XVLJQKLXPFCRJE-ALYAQQCSSA-N 1 2 389.500 0.194 20 30 GCEDLO CCOC(=O)CON=C(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cc[nH]n1 ZINC000770822556 1202114790 /nfs/dbraw/zinc/11/47/90/1202114790.db2.gz BSRNAJSXTKNAJQ-UHFFFAOYSA-N 1 2 388.428 0.585 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109735656 1202115139 /nfs/dbraw/zinc/11/51/39/1202115139.db2.gz QWIIPIJSHUPMQW-NRKLIOEPSA-N 1 2 392.500 0.781 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109735656 1202115141 /nfs/dbraw/zinc/11/51/41/1202115141.db2.gz QWIIPIJSHUPMQW-NRKLIOEPSA-N 1 2 392.500 0.781 20 30 GCEDLO CC[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CCC#N ZINC001109745281 1202117508 /nfs/dbraw/zinc/11/75/08/1202117508.db2.gz HUGURKNJMZNZCX-QZWWFDLISA-N 1 2 377.489 0.385 20 30 GCEDLO CC[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CCC#N ZINC001109745281 1202117509 /nfs/dbraw/zinc/11/75/09/1202117509.db2.gz HUGURKNJMZNZCX-QZWWFDLISA-N 1 2 377.489 0.385 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(C)c1OC)C2 ZINC001109773247 1202121271 /nfs/dbraw/zinc/12/12/71/1202121271.db2.gz MABKUYOKELLRCB-KBXIAJHMSA-N 1 2 375.473 0.763 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(C)c1OC)C2 ZINC001109773247 1202121273 /nfs/dbraw/zinc/12/12/73/1202121273.db2.gz MABKUYOKELLRCB-KBXIAJHMSA-N 1 2 375.473 0.763 20 30 GCEDLO CCN(CC)C(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109846803 1202134662 /nfs/dbraw/zinc/13/46/62/1202134662.db2.gz XHYHGHCWFNHZSC-PMPSAXMXSA-N 1 2 377.489 0.386 20 30 GCEDLO CCN(CC)C(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109846803 1202134663 /nfs/dbraw/zinc/13/46/63/1202134663.db2.gz XHYHGHCWFNHZSC-PMPSAXMXSA-N 1 2 377.489 0.386 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)C2 ZINC001109856611 1202137365 /nfs/dbraw/zinc/13/73/65/1202137365.db2.gz SYSRZGQNCCCMAQ-PVAVHDDUSA-N 1 2 378.436 0.556 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)C2 ZINC001109856611 1202137366 /nfs/dbraw/zinc/13/73/66/1202137366.db2.gz SYSRZGQNCCCMAQ-PVAVHDDUSA-N 1 2 378.436 0.556 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(cnn3C)c1)C2 ZINC001109882605 1202141690 /nfs/dbraw/zinc/14/16/90/1202141690.db2.gz ICIZRYMUUWYBEG-IEAZIUSSSA-N 1 2 380.452 0.441 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(cnn3C)c1)C2 ZINC001109882605 1202141691 /nfs/dbraw/zinc/14/16/91/1202141691.db2.gz ICIZRYMUUWYBEG-IEAZIUSSSA-N 1 2 380.452 0.441 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(CC)nn(C)c1Cl)C2 ZINC001109938300 1202156214 /nfs/dbraw/zinc/15/62/14/1202156214.db2.gz WJKBKYDZYWDYKK-XBFCOCLRSA-N 1 2 377.876 0.720 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(CC)nn(C)c1Cl)C2 ZINC001109938300 1202156216 /nfs/dbraw/zinc/15/62/16/1202156216.db2.gz WJKBKYDZYWDYKK-XBFCOCLRSA-N 1 2 377.876 0.720 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)cn1)C2 ZINC001109970376 1202162958 /nfs/dbraw/zinc/16/29/58/1202162958.db2.gz YOBDRGIHCGIAIK-JLSDUUJJSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)cn1)C2 ZINC001109970376 1202162961 /nfs/dbraw/zinc/16/29/61/1202162961.db2.gz YOBDRGIHCGIAIK-JLSDUUJJSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C2 ZINC001109967380 1202164255 /nfs/dbraw/zinc/16/42/55/1202164255.db2.gz BLKSJLWKDDKTOJ-WCVJEAGWSA-N 1 2 376.501 0.398 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C2 ZINC001109967380 1202164257 /nfs/dbraw/zinc/16/42/57/1202164257.db2.gz BLKSJLWKDDKTOJ-WCVJEAGWSA-N 1 2 376.501 0.398 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1Cc3ccccc3C1=O)C2 ZINC001109998401 1202171137 /nfs/dbraw/zinc/17/11/37/1202171137.db2.gz WZIDPRBNRMLOFR-PVAVHDDUSA-N 1 2 381.436 0.004 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1Cc3ccccc3C1=O)C2 ZINC001109998401 1202171138 /nfs/dbraw/zinc/17/11/38/1202171138.db2.gz WZIDPRBNRMLOFR-PVAVHDDUSA-N 1 2 381.436 0.004 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(=O)(=O)CC)cn1 ZINC001110001324 1202171621 /nfs/dbraw/zinc/17/16/21/1202171621.db2.gz WTLDHSVWLHABAB-IKGGRYGDSA-N 1 2 376.482 0.337 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(=O)(=O)CC)cn1 ZINC001110001324 1202171623 /nfs/dbraw/zinc/17/16/23/1202171623.db2.gz WTLDHSVWLHABAB-IKGGRYGDSA-N 1 2 376.482 0.337 20 30 GCEDLO C[C@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000787759843 1205400804 /nfs/dbraw/zinc/40/08/04/1205400804.db2.gz PHDUQRDLMTURAM-HOCLYGCPSA-N 1 2 381.440 0.788 20 30 GCEDLO N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000787773880 1205402176 /nfs/dbraw/zinc/40/21/76/1205402176.db2.gz CLGKEEFRIBVCRT-HNNXBMFYSA-N 1 2 379.424 0.271 20 30 GCEDLO Cc1nn(C)c(N2CCN(CN3C[C@H](c4c[nH+]cn4C)CC3=O)CC2)c1C#N ZINC000788044592 1205412768 /nfs/dbraw/zinc/41/27/68/1205412768.db2.gz NVQOGNBIGOSALW-OAHLLOKOSA-N 1 2 382.472 0.429 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)nnn3CC)C2 ZINC001110084780 1205412780 /nfs/dbraw/zinc/41/27/80/1205412780.db2.gz PMWBZSKUUFQFAQ-VYDXJSESSA-N 1 2 380.452 0.536 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)nnn3CC)C2 ZINC001110084780 1205412783 /nfs/dbraw/zinc/41/27/83/1205412783.db2.gz PMWBZSKUUFQFAQ-VYDXJSESSA-N 1 2 380.452 0.536 20 30 GCEDLO C=CCNC(=O)c1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)cc1 ZINC000789600716 1205444711 /nfs/dbraw/zinc/44/47/11/1205444711.db2.gz YNMGCCJHRVQJJF-UHFFFAOYSA-N 1 2 389.803 0.909 20 30 GCEDLO C#C[C@H](CCC)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000791017613 1205473160 /nfs/dbraw/zinc/47/31/60/1205473160.db2.gz HLGDJJZCXJTWON-MRXNPFEDSA-N 1 2 393.513 0.635 20 30 GCEDLO C=CC[N@@H+](CCOC)CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000792406562 1205487137 /nfs/dbraw/zinc/48/71/37/1205487137.db2.gz MBTUSAGSCIDSJT-LJQANCHMSA-N 1 2 390.440 0.628 20 30 GCEDLO C=CC[N@H+](CCOC)CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000792406562 1205487138 /nfs/dbraw/zinc/48/71/38/1205487138.db2.gz MBTUSAGSCIDSJT-LJQANCHMSA-N 1 2 390.440 0.628 20 30 GCEDLO Cc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1S(=O)(=O)NCC#N ZINC001170260059 1205489930 /nfs/dbraw/zinc/48/99/30/1205489930.db2.gz YVNIHYHRVBNFHE-UHFFFAOYSA-N 1 2 385.449 0.973 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)Nc1cc(C)on1)C2 ZINC001110099335 1205494754 /nfs/dbraw/zinc/49/47/54/1205494754.db2.gz GJCWELVNFXFXLE-CRWXNKLISA-N 1 2 375.429 0.334 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)Nc1cc(C)on1)C2 ZINC001110099335 1205494755 /nfs/dbraw/zinc/49/47/55/1205494755.db2.gz GJCWELVNFXFXLE-CRWXNKLISA-N 1 2 375.429 0.334 20 30 GCEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2c2ccncc2)n[nH]1 ZINC001130212922 1205537095 /nfs/dbraw/zinc/53/70/95/1205537095.db2.gz KZAYGUOIROSCIO-NXOAAHMSSA-N 1 2 380.452 0.715 20 30 GCEDLO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)n[nH]1 ZINC001130222770 1205537867 /nfs/dbraw/zinc/53/78/67/1205537867.db2.gz FHEPFEHIJVQRKR-IQWQSGHPSA-N 1 2 387.484 0.721 20 30 GCEDLO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n[nH]1 ZINC001130222929 1205537962 /nfs/dbraw/zinc/53/79/62/1205537962.db2.gz IWFXUDISMVDQKZ-ZTOOVHTFSA-N 1 2 385.468 0.330 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000807695386 1205588403 /nfs/dbraw/zinc/58/84/03/1205588403.db2.gz TUMCNNAJMFVINB-MRXNPFEDSA-N 1 2 379.420 0.973 20 30 GCEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000811460899 1205652691 /nfs/dbraw/zinc/65/26/91/1205652691.db2.gz CHNASJRXQPUTES-HNNXBMFYSA-N 1 2 387.465 0.976 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)CC1 ZINC000747796033 1205666064 /nfs/dbraw/zinc/66/60/64/1205666064.db2.gz KGMNPMRTTFASTE-OAHLLOKOSA-N 1 2 396.447 0.957 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)CC1 ZINC000747798439 1205666685 /nfs/dbraw/zinc/66/66/85/1205666685.db2.gz RIBFXYIYFLJFHS-JOCHJYFZSA-N 1 2 394.475 0.885 20 30 GCEDLO CC(N=Nc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1ccc(N)[nH+]c1 ZINC000814851648 1205696326 /nfs/dbraw/zinc/69/63/26/1205696326.db2.gz WTXUKQSJTGURIN-UHFFFAOYSA-N 1 2 389.485 0.831 20 30 GCEDLO Cn1ncc(C=[NH+]Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1N ZINC000814834266 1205696336 /nfs/dbraw/zinc/69/63/36/1205696336.db2.gz XAOOIFXGWUZGRK-UHFFFAOYSA-N 1 2 377.474 0.384 20 30 GCEDLO C#CCNC(=O)CCN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000815087361 1205698183 /nfs/dbraw/zinc/69/81/83/1205698183.db2.gz ZIQJNPKNEVCEQO-FQEVSTJZSA-N 1 2 382.508 0.935 20 30 GCEDLO CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431031 1205720982 /nfs/dbraw/zinc/72/09/82/1205720982.db2.gz AOJGJXMJVDTWFX-SFHVURJKSA-N 1 2 398.463 0.916 20 30 GCEDLO CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431031 1205720985 /nfs/dbraw/zinc/72/09/85/1205720985.db2.gz AOJGJXMJVDTWFX-SFHVURJKSA-N 1 2 398.463 0.916 20 30 GCEDLO N#C[C@H]1C[NH2+]CCN1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173696018 1205726589 /nfs/dbraw/zinc/72/65/89/1205726589.db2.gz OVSWCXRKYOOHGH-AWEZNQCLSA-N 1 2 379.442 0.545 20 30 GCEDLO N#Cc1c(N)nc(=NC2CC2)n(-c2ccc(OCC[NH+]3CCOCC3)cc2)c1N ZINC001174431588 1205730447 /nfs/dbraw/zinc/73/04/47/1205730447.db2.gz FKZBPWWRXNPWFZ-UHFFFAOYSA-N 1 2 395.467 0.682 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(F)cc(F)c1)C2 ZINC001110172977 1205732230 /nfs/dbraw/zinc/73/22/30/1205732230.db2.gz UHZGICPKJVAEBC-PVAVHDDUSA-N 1 2 377.391 0.815 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(F)cc(F)c1)C2 ZINC001110172977 1205732232 /nfs/dbraw/zinc/73/22/32/1205732232.db2.gz UHZGICPKJVAEBC-PVAVHDDUSA-N 1 2 377.391 0.815 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)C(C)=O)cc1)C2 ZINC001110175348 1205733186 /nfs/dbraw/zinc/73/31/86/1205733186.db2.gz YFFCKXHYJYKIOZ-QYZOEREBSA-N 1 2 382.464 0.754 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)C(C)=O)cc1)C2 ZINC001110175348 1205733187 /nfs/dbraw/zinc/73/31/87/1205733187.db2.gz YFFCKXHYJYKIOZ-QYZOEREBSA-N 1 2 382.464 0.754 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCCC ZINC001110185803 1205737474 /nfs/dbraw/zinc/73/74/74/1205737474.db2.gz MMAFNTISKWMSOC-WCVJEAGWSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCCC ZINC001110185803 1205737477 /nfs/dbraw/zinc/73/74/77/1205737477.db2.gz MMAFNTISKWMSOC-WCVJEAGWSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)C2 ZINC001110195250 1205746675 /nfs/dbraw/zinc/74/66/75/1205746675.db2.gz YNVITVQAGAJITJ-PASDCYSWSA-N 1 2 376.501 0.657 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1=O)C2 ZINC001110195250 1205746677 /nfs/dbraw/zinc/74/66/77/1205746677.db2.gz YNVITVQAGAJITJ-PASDCYSWSA-N 1 2 376.501 0.657 20 30 GCEDLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CCC#N)CC1 ZINC001177085256 1205761901 /nfs/dbraw/zinc/76/19/01/1205761901.db2.gz WTSUPIRIIXXWKH-OAHLLOKOSA-N 1 2 376.461 0.903 20 30 GCEDLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CCC#N)CC1 ZINC001177085256 1205761904 /nfs/dbraw/zinc/76/19/04/1205761904.db2.gz WTSUPIRIIXXWKH-OAHLLOKOSA-N 1 2 376.461 0.903 20 30 GCEDLO C#CCCCCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000773631662 1205764689 /nfs/dbraw/zinc/76/46/89/1205764689.db2.gz ZQMXCRWJRLXMPR-UHFFFAOYSA-N 1 2 384.440 0.749 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[nH]c3c1CCCC3)C2 ZINC001110211906 1205772897 /nfs/dbraw/zinc/77/28/97/1205772897.db2.gz YGWILEAUFFBZGW-BVGQSLNGSA-N 1 2 382.464 0.751 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)[nH]c3c1CCCC3)C2 ZINC001110211906 1205772898 /nfs/dbraw/zinc/77/28/98/1205772898.db2.gz YGWILEAUFFBZGW-BVGQSLNGSA-N 1 2 382.464 0.751 20 30 GCEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001179590473 1205812246 /nfs/dbraw/zinc/81/22/46/1205812246.db2.gz WMBABCFTDBGJLZ-UONOGXRCSA-N 1 2 378.429 0.537 20 30 GCEDLO C=CCSCC(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001180559534 1205827498 /nfs/dbraw/zinc/82/74/98/1205827498.db2.gz TUHNRHLDWPZAAL-UHFFFAOYSA-N 1 2 377.514 0.612 20 30 GCEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn[nH]1)C2)NCC#Cc1ccccc1 ZINC001110302956 1205872210 /nfs/dbraw/zinc/87/22/10/1205872210.db2.gz YLYYQYBCOXVRRO-QRQLOZEOSA-N 1 2 377.448 0.913 20 30 GCEDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn[nH]1)C2)NCC#Cc1ccccc1 ZINC001110302956 1205872212 /nfs/dbraw/zinc/87/22/12/1205872212.db2.gz YLYYQYBCOXVRRO-QRQLOZEOSA-N 1 2 377.448 0.913 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCC(C)C)C2 ZINC001110320896 1205879019 /nfs/dbraw/zinc/87/90/19/1205879019.db2.gz OYEJNXXEJPAZIB-OAGGEKHMSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCC(C)C)C2 ZINC001110320896 1205879021 /nfs/dbraw/zinc/87/90/21/1205879021.db2.gz OYEJNXXEJPAZIB-OAGGEKHMSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CC[NH+]1CCN(C(=O)Cn2cnc3c2nc(NC(=O)C(C)C)[nH]c3=O)CC1 ZINC001182831381 1205881027 /nfs/dbraw/zinc/88/10/27/1205881027.db2.gz USGCPPPDGYJTOW-UHFFFAOYSA-N 1 2 387.444 0.457 20 30 GCEDLO COC(=O)[C@H](CS)NC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184361600 1205908272 /nfs/dbraw/zinc/90/82/72/1205908272.db2.gz JPVSJZGMJWLJSQ-ZDUSSCGKSA-N 1 2 394.449 0.826 20 30 GCEDLO COC(=O)[C@H](CS)NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184361600 1205908273 /nfs/dbraw/zinc/90/82/73/1205908273.db2.gz JPVSJZGMJWLJSQ-ZDUSSCGKSA-N 1 2 394.449 0.826 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCC1CC1)C2 ZINC001110360564 1205921124 /nfs/dbraw/zinc/92/11/24/1205921124.db2.gz DVDGCDHLSXAZMT-XZDPQHSOSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCC1CC1)C2 ZINC001110360564 1205921125 /nfs/dbraw/zinc/92/11/25/1205921125.db2.gz DVDGCDHLSXAZMT-XZDPQHSOSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110366323 1205926761 /nfs/dbraw/zinc/92/67/61/1205926761.db2.gz PHPLTYKXAFUOHY-MIGQKNRLSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110366323 1205926762 /nfs/dbraw/zinc/92/67/62/1205926762.db2.gz PHPLTYKXAFUOHY-MIGQKNRLSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001110380478 1205938793 /nfs/dbraw/zinc/93/87/93/1205938793.db2.gz WPOIODZCEHQYTH-SFTQSGBHSA-N 1 2 377.470 0.879 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001110380478 1205938792 /nfs/dbraw/zinc/93/87/92/1205938792.db2.gz WPOIODZCEHQYTH-SFTQSGBHSA-N 1 2 377.470 0.879 20 30 GCEDLO N#CCc1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001188689444 1205989486 /nfs/dbraw/zinc/98/94/86/1205989486.db2.gz SWUCBMIZQFZSEG-IRXDYDNUSA-N 1 2 394.435 0.293 20 30 GCEDLO N#CCc1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001188689444 1205989489 /nfs/dbraw/zinc/98/94/89/1205989489.db2.gz SWUCBMIZQFZSEG-IRXDYDNUSA-N 1 2 394.435 0.293 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001188742507 1205990935 /nfs/dbraw/zinc/99/09/35/1205990935.db2.gz BWMFYPRKWBUMQK-IRXDYDNUSA-N 1 2 379.420 0.208 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001188742507 1205990938 /nfs/dbraw/zinc/99/09/38/1205990938.db2.gz BWMFYPRKWBUMQK-IRXDYDNUSA-N 1 2 379.420 0.208 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110425351 1206032108 /nfs/dbraw/zinc/03/21/08/1206032108.db2.gz OIUUNOYPROTUJP-MLHJIOFPSA-N 1 2 379.501 0.843 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCOC1 ZINC001110425351 1206032111 /nfs/dbraw/zinc/03/21/11/1206032111.db2.gz OIUUNOYPROTUJP-MLHJIOFPSA-N 1 2 379.501 0.843 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCCO1)C2 ZINC001110430742 1206045692 /nfs/dbraw/zinc/04/56/92/1206045692.db2.gz MRIIICJLSSZDKG-QXSJWSMHSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCCO1)C2 ZINC001110430742 1206045696 /nfs/dbraw/zinc/04/56/96/1206045696.db2.gz MRIIICJLSSZDKG-QXSJWSMHSA-N 1 2 378.473 0.679 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C)cc3C=NO)CC2)C1=O ZINC001164639103 719278028 /nfs/dbraw/zinc/27/80/28/719278028.db2.gz HHPFELDWBXXZMT-UHFFFAOYSA-N 1 2 375.473 0.958 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C)cc3C=NO)CC2)C1=O ZINC001164639103 719278030 /nfs/dbraw/zinc/27/80/30/719278030.db2.gz HHPFELDWBXXZMT-UHFFFAOYSA-N 1 2 375.473 0.958 20 30 GCEDLO Cc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(C#N)n1 ZINC001164709127 719919620 /nfs/dbraw/zinc/91/96/20/719919620.db2.gz YDLSQTGRUQSLGD-UHFFFAOYSA-N 1 2 380.456 0.341 20 30 GCEDLO Cc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(C#N)c1 ZINC001164705297 719935783 /nfs/dbraw/zinc/93/57/83/719935783.db2.gz XXYYFYWJLBNKMA-UHFFFAOYSA-N 1 2 379.468 0.946 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3C#N)C2)C1 ZINC001164720596 720240081 /nfs/dbraw/zinc/24/00/81/720240081.db2.gz YTQWKDCTWJJSBR-GOSISDBHSA-N 1 2 388.428 0.526 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3C#N)C2)C1 ZINC001164720596 720240086 /nfs/dbraw/zinc/24/00/86/720240086.db2.gz YTQWKDCTWJJSBR-GOSISDBHSA-N 1 2 388.428 0.526 20 30 GCEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(CC#N)n1)C2 ZINC001164831757 720466653 /nfs/dbraw/zinc/46/66/53/720466653.db2.gz POWUUZHEIWHRPI-INIZCTEOSA-N 1 2 397.483 0.729 20 30 GCEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(CC#N)n1)C2 ZINC001164831758 720467049 /nfs/dbraw/zinc/46/70/49/720467049.db2.gz POWUUZHEIWHRPI-MRXNPFEDSA-N 1 2 397.483 0.729 20 30 GCEDLO N#Cc1ncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C#N ZINC001164914652 721796078 /nfs/dbraw/zinc/79/60/78/721796078.db2.gz OZGAVUZSGDBDGX-FQEVSTJZSA-N 1 2 391.435 0.723 20 30 GCEDLO N#Cc1ncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C#N ZINC001164914652 721796082 /nfs/dbraw/zinc/79/60/82/721796082.db2.gz OZGAVUZSGDBDGX-FQEVSTJZSA-N 1 2 391.435 0.723 20 30 GCEDLO C=C(Cl)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573296134 947040031 /nfs/dbraw/zinc/04/00/31/947040031.db2.gz ZNMRUJNBXKIWIO-ZDUSSCGKSA-N 1 2 379.852 0.846 20 30 GCEDLO C=C(Cl)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573296134 947040039 /nfs/dbraw/zinc/04/00/39/947040039.db2.gz ZNMRUJNBXKIWIO-ZDUSSCGKSA-N 1 2 379.852 0.846 20 30 GCEDLO C[C@H](C#N)C(=O)NCCN1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573584269 947215504 /nfs/dbraw/zinc/21/55/04/947215504.db2.gz SHISINLDCBQIKM-CYBMUJFWSA-N 1 2 386.435 0.399 20 30 GCEDLO C[C@@H](C#N)C(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573584252 947216470 /nfs/dbraw/zinc/21/64/70/947216470.db2.gz RXLZHHIIGGCWBP-ZDUSSCGKSA-N 1 2 386.435 0.399 20 30 GCEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000289247395 530263151 /nfs/dbraw/zinc/26/31/51/530263151.db2.gz PUEHNQAGOKLGTP-NSHDSACASA-N 1 2 395.257 0.784 20 30 GCEDLO CS(=O)(=O)c1ccccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000566120467 530372417 /nfs/dbraw/zinc/37/24/17/530372417.db2.gz LORPQKGFFUZNHL-UHFFFAOYSA-N 1 2 379.463 0.920 20 30 GCEDLO COCCN(CCC#N)S(=O)(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000282618431 530373433 /nfs/dbraw/zinc/37/34/33/530373433.db2.gz JTWUMUOQGDTVKS-UHFFFAOYSA-N 1 2 383.396 0.984 20 30 GCEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000264505481 530371321 /nfs/dbraw/zinc/37/13/21/530371321.db2.gz JDFMKGQPIPEXBX-NSHDSACASA-N 1 2 385.877 0.655 20 30 GCEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000264505481 530371323 /nfs/dbraw/zinc/37/13/23/530371323.db2.gz JDFMKGQPIPEXBX-NSHDSACASA-N 1 2 385.877 0.655 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3cccc(Cl)c3C#N)CC2)CC1 ZINC000571711930 530507814 /nfs/dbraw/zinc/50/78/14/530507814.db2.gz NUURNZGGOZJDRC-UHFFFAOYSA-N 1 2 383.905 0.826 20 30 GCEDLO CCS(=O)(=O)N1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000330479740 530520394 /nfs/dbraw/zinc/52/03/94/530520394.db2.gz MOHZWNICXIIMEC-UHFFFAOYSA-N 1 2 376.523 0.415 20 30 GCEDLO CCS(=O)(=O)N1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000330479740 530520395 /nfs/dbraw/zinc/52/03/95/530520395.db2.gz MOHZWNICXIIMEC-UHFFFAOYSA-N 1 2 376.523 0.415 20 30 GCEDLO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N1CCS(=O)(=O)CC1)C(C)C ZINC000444114653 530542179 /nfs/dbraw/zinc/54/21/79/530542179.db2.gz XLBSYMROWKYYHH-OAHLLOKOSA-N 1 2 379.548 0.250 20 30 GCEDLO C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)c2[nH+]ccn21 ZINC000580570540 530614607 /nfs/dbraw/zinc/61/46/07/530614607.db2.gz BYTNYYSOHYQEHC-RYUDHWBXSA-N 1 2 389.503 0.420 20 30 GCEDLO C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)c2[nH+]ccn21 ZINC000580570538 530614790 /nfs/dbraw/zinc/61/47/90/530614790.db2.gz BYTNYYSOHYQEHC-NEPJUHHUSA-N 1 2 389.503 0.420 20 30 GCEDLO Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000329885393 530622219 /nfs/dbraw/zinc/62/22/19/530622219.db2.gz UPBSTNUCEFLYPB-JTQLQIEISA-N 1 2 378.476 0.113 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000349539312 530681352 /nfs/dbraw/zinc/68/13/52/530681352.db2.gz VUGAIVMHUXCKSU-YNEHKIRRSA-N 1 2 389.503 0.372 20 30 GCEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293607253 530932774 /nfs/dbraw/zinc/93/27/74/530932774.db2.gz GIXQSXHOMXMKFY-NSHDSACASA-N 1 2 395.257 0.784 20 30 GCEDLO C=CCNC(=O)CNc1nc[nH+]c(NCC(=O)NCC=C)c1Br ZINC000663777115 531036636 /nfs/dbraw/zinc/03/66/36/531036636.db2.gz VORAVPXVVYDYOM-UHFFFAOYSA-N 1 2 383.250 0.667 20 30 GCEDLO C=C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000349594431 531073936 /nfs/dbraw/zinc/07/39/36/531073936.db2.gz SFSHFRQGHMNUAG-ZDUSSCGKSA-N 1 2 388.515 0.552 20 30 GCEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735418294 598581620 /nfs/dbraw/zinc/58/16/20/598581620.db2.gz ACNDPHNKBNXUAE-CYBMUJFWSA-N 1 2 390.469 0.870 20 30 GCEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735418294 598581622 /nfs/dbraw/zinc/58/16/22/598581622.db2.gz ACNDPHNKBNXUAE-CYBMUJFWSA-N 1 2 390.469 0.870 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735380598 598811618 /nfs/dbraw/zinc/81/16/18/598811618.db2.gz IGNPGDFKKRNTEU-UHFFFAOYSA-N 1 2 395.467 0.083 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735380598 598811620 /nfs/dbraw/zinc/81/16/20/598811620.db2.gz IGNPGDFKKRNTEU-UHFFFAOYSA-N 1 2 395.467 0.083 20 30 GCEDLO C=CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000819744193 599638108 /nfs/dbraw/zinc/63/81/08/599638108.db2.gz ZNXPNOCLTYYNLN-HNNXBMFYSA-N 1 2 390.469 0.870 20 30 GCEDLO C=CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000819744193 599638109 /nfs/dbraw/zinc/63/81/09/599638109.db2.gz ZNXPNOCLTYYNLN-HNNXBMFYSA-N 1 2 390.469 0.870 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000823850491 607684492 /nfs/dbraw/zinc/68/44/92/607684492.db2.gz PELMQNUFNSLBCX-UHFFFAOYSA-N 1 2 381.440 0.072 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000823850491 607684493 /nfs/dbraw/zinc/68/44/93/607684493.db2.gz PELMQNUFNSLBCX-UHFFFAOYSA-N 1 2 381.440 0.072 20 30 GCEDLO C#CCN1CCN(C(=O)C[N@@H+](CCOC)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819702235 606375135 /nfs/dbraw/zinc/37/51/35/606375135.db2.gz UWYCDSMOEGOHJA-UHFFFAOYSA-N 1 2 397.483 0.093 20 30 GCEDLO C#CCN1CCN(C(=O)C[N@H+](CCOC)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819702235 606375137 /nfs/dbraw/zinc/37/51/37/606375137.db2.gz UWYCDSMOEGOHJA-UHFFFAOYSA-N 1 2 397.483 0.093 20 30 GCEDLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000826116564 608036406 /nfs/dbraw/zinc/03/64/06/608036406.db2.gz ASPUHJJMLMJLHA-OAHLLOKOSA-N 1 2 395.427 0.822 20 30 GCEDLO COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000826116564 608036407 /nfs/dbraw/zinc/03/64/07/608036407.db2.gz ASPUHJJMLMJLHA-OAHLLOKOSA-N 1 2 395.427 0.822 20 30 GCEDLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC(C)(C)C#N ZINC000913867111 639666144 /nfs/dbraw/zinc/66/61/44/639666144.db2.gz QLKSRRBRDRYVMR-AWEZNQCLSA-N 1 2 379.548 0.697 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000279287327 1192500483 /nfs/dbraw/zinc/50/04/83/1192500483.db2.gz LECVDNHTGAUMBV-GJZGRUSLSA-N 1 2 394.497 0.404 20 30 GCEDLO Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000982315860 1192652226 /nfs/dbraw/zinc/65/22/26/1192652226.db2.gz BIRJXQVLZUHDBU-VXIBKDFQSA-N 1 2 392.463 0.771 20 30 GCEDLO Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000982315860 1192652229 /nfs/dbraw/zinc/65/22/29/1192652229.db2.gz BIRJXQVLZUHDBU-VXIBKDFQSA-N 1 2 392.463 0.771 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H](C)CCC)C2)CC1 ZINC000112904728 1192716330 /nfs/dbraw/zinc/71/63/30/1192716330.db2.gz QVDYSTNQMFZHQF-IRXDYDNUSA-N 1 2 376.501 0.307 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H](C)CCC)C2)CC1 ZINC000112904728 1192716334 /nfs/dbraw/zinc/71/63/34/1192716334.db2.gz QVDYSTNQMFZHQF-IRXDYDNUSA-N 1 2 376.501 0.307 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000784914623 1184151803 /nfs/dbraw/zinc/15/18/03/1184151803.db2.gz PGYCLTBBAIZPAS-KBPBESRZSA-N 1 2 381.454 0.489 20 30 GCEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@H]2C1 ZINC001083190822 1184345670 /nfs/dbraw/zinc/34/56/70/1184345670.db2.gz ADKLKTAZPZKTBL-XWTMOSNGSA-N 1 2 375.469 0.091 20 30 GCEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@H]2C1 ZINC001083190822 1184345677 /nfs/dbraw/zinc/34/56/77/1184345677.db2.gz ADKLKTAZPZKTBL-XWTMOSNGSA-N 1 2 375.469 0.091 20 30 GCEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 ZINC001083194783 1184526535 /nfs/dbraw/zinc/52/65/35/1184526535.db2.gz JLXSLHOMIOVJOP-MUQADHOPSA-N 1 2 384.436 0.100 20 30 GCEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@H]2C1 ZINC001083194783 1184526538 /nfs/dbraw/zinc/52/65/38/1184526538.db2.gz JLXSLHOMIOVJOP-MUQADHOPSA-N 1 2 384.436 0.100 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000155354880 1184627838 /nfs/dbraw/zinc/62/78/38/1184627838.db2.gz GSVWGDKPWDTMRS-UONOGXRCSA-N 1 2 375.454 0.874 20 30 GCEDLO C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000155365655 1184633249 /nfs/dbraw/zinc/63/32/49/1184633249.db2.gz ZYMRVJHWSASJLE-ZIAGYGMSSA-N 1 2 375.454 0.874 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000275881207 1185225584 /nfs/dbraw/zinc/22/55/84/1185225584.db2.gz FYNKOGSMSGIHAZ-GFCCVEGCSA-N 1 2 376.388 0.732 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000275881207 1185225586 /nfs/dbraw/zinc/22/55/86/1185225586.db2.gz FYNKOGSMSGIHAZ-GFCCVEGCSA-N 1 2 376.388 0.732 20 30 GCEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000580745977 1185331527 /nfs/dbraw/zinc/33/15/27/1185331527.db2.gz DCOIOTMVPSSLLG-HOCLYGCPSA-N 1 2 392.481 0.158 20 30 GCEDLO Cc1cc(N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)nc(C(C)C)[nH+]1 ZINC000022195466 1185611349 /nfs/dbraw/zinc/61/13/49/1185611349.db2.gz PTFNUPRDNYAOAF-UHFFFAOYSA-N 1 2 383.456 0.504 20 30 GCEDLO N#Cc1cnn(-c2ccc(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)cc2)c1N ZINC001167470645 1185761193 /nfs/dbraw/zinc/76/11/93/1185761193.db2.gz XCEHFIXAWHLVKJ-UHFFFAOYSA-N 1 2 382.424 0.505 20 30 GCEDLO N#Cc1cnn(-c2ccc(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)cc2)c1N ZINC001167470645 1185761196 /nfs/dbraw/zinc/76/11/96/1185761196.db2.gz XCEHFIXAWHLVKJ-UHFFFAOYSA-N 1 2 382.424 0.505 20 30 GCEDLO CN(CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000510439196 1185796503 /nfs/dbraw/zinc/79/65/03/1185796503.db2.gz CBYGCUKJSUEVSY-MRXNPFEDSA-N 1 2 399.476 0.969 20 30 GCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C2(c3ncccn3)CCOCC2)CC1 ZINC000933339492 1185798598 /nfs/dbraw/zinc/79/85/98/1185798598.db2.gz DGTHHRJBQLNNKL-QGZVFWFLSA-N 1 2 386.500 0.764 20 30 GCEDLO C=CCCn1cc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)nn1 ZINC000656771507 1185816937 /nfs/dbraw/zinc/81/69/37/1185816937.db2.gz GRHVIGHLRBQLTH-UHFFFAOYSA-N 1 2 391.501 0.943 20 30 GCEDLO CCOC(=O)CO/N=C(/C(=O)N(CC[NH+](C)C)Cc1ccco1)c1cc[nH]n1 ZINC000276627422 1185930515 /nfs/dbraw/zinc/93/05/15/1185930515.db2.gz SAQYKWDPLFSZST-HEHNFIMWSA-N 1 2 391.428 0.877 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)C1 ZINC000891607528 1185938032 /nfs/dbraw/zinc/93/80/32/1185938032.db2.gz OEARDAXLMFQPLJ-GOSISDBHSA-N 1 2 382.464 0.961 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)C1 ZINC000891607528 1185938034 /nfs/dbraw/zinc/93/80/34/1185938034.db2.gz OEARDAXLMFQPLJ-GOSISDBHSA-N 1 2 382.464 0.961 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000891607558 1185938123 /nfs/dbraw/zinc/93/81/23/1185938123.db2.gz UOHJLUKESGAWQX-LBPRGKRZSA-N 1 2 397.884 0.896 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000891607558 1185938124 /nfs/dbraw/zinc/93/81/24/1185938124.db2.gz UOHJLUKESGAWQX-LBPRGKRZSA-N 1 2 397.884 0.896 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)C1 ZINC000891604423 1185938401 /nfs/dbraw/zinc/93/84/01/1185938401.db2.gz XZYWLPJHQIHQMZ-JXFKEZNVSA-N 1 2 384.436 0.794 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)C1 ZINC000891604423 1185938404 /nfs/dbraw/zinc/93/84/04/1185938404.db2.gz XZYWLPJHQIHQMZ-JXFKEZNVSA-N 1 2 384.436 0.794 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)C1 ZINC000891608164 1185939023 /nfs/dbraw/zinc/93/90/23/1185939023.db2.gz XIEIJMBLFSVNID-CQSZACIVSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)C1 ZINC000891608164 1185939026 /nfs/dbraw/zinc/93/90/26/1185939026.db2.gz XIEIJMBLFSVNID-CQSZACIVSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)C1 ZINC000891607960 1185939417 /nfs/dbraw/zinc/93/94/17/1185939417.db2.gz RSBVSTPMVCYOPF-WMLDXEAASA-N 1 2 385.420 0.167 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)C1 ZINC000891607960 1185939419 /nfs/dbraw/zinc/93/94/19/1185939419.db2.gz RSBVSTPMVCYOPF-WMLDXEAASA-N 1 2 385.420 0.167 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)C1 ZINC000891605919 1185939890 /nfs/dbraw/zinc/93/98/90/1185939890.db2.gz BZLCGAXLCOKPJZ-QGZVFWFLSA-N 1 2 384.480 0.984 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)C1 ZINC000891605919 1185939893 /nfs/dbraw/zinc/93/98/93/1185939893.db2.gz BZLCGAXLCOKPJZ-QGZVFWFLSA-N 1 2 384.480 0.984 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000891605991 1185940504 /nfs/dbraw/zinc/94/05/04/1185940504.db2.gz JERZLOFQTGGZLD-LLVKDONJSA-N 1 2 399.419 0.521 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000891605991 1185940506 /nfs/dbraw/zinc/94/05/06/1185940506.db2.gz JERZLOFQTGGZLD-LLVKDONJSA-N 1 2 399.419 0.521 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1 ZINC000891607024 1185941004 /nfs/dbraw/zinc/94/10/04/1185941004.db2.gz LBJUCERUUQRGCU-GOSISDBHSA-N 1 2 382.464 0.961 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1 ZINC000891607024 1185941007 /nfs/dbraw/zinc/94/10/07/1185941007.db2.gz LBJUCERUUQRGCU-GOSISDBHSA-N 1 2 382.464 0.961 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)C1 ZINC000891607204 1185941122 /nfs/dbraw/zinc/94/11/22/1185941122.db2.gz SHHONXCYMIPHDF-QGZVFWFLSA-N 1 2 393.447 0.803 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)C1 ZINC000891607204 1185941123 /nfs/dbraw/zinc/94/11/23/1185941123.db2.gz SHHONXCYMIPHDF-QGZVFWFLSA-N 1 2 393.447 0.803 20 30 GCEDLO C=C1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000891923903 1186162029 /nfs/dbraw/zinc/16/20/29/1186162029.db2.gz KJCCHUAAOSXLLR-UHFFFAOYSA-N 1 2 393.513 0.895 20 30 GCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247530851 1186167688 /nfs/dbraw/zinc/16/76/88/1186167688.db2.gz ZWEQGMTYYNWKQG-HZPDHXFCSA-N 1 2 386.504 0.204 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000277053465 1186233031 /nfs/dbraw/zinc/23/30/31/1186233031.db2.gz IFSAQJVBBHZLGM-JKSUJKDBSA-N 1 2 394.516 0.819 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000277053465 1186233036 /nfs/dbraw/zinc/23/30/36/1186233036.db2.gz IFSAQJVBBHZLGM-JKSUJKDBSA-N 1 2 394.516 0.819 20 30 GCEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1S(=O)(=O)NCC#N ZINC000610924388 1186260827 /nfs/dbraw/zinc/26/08/27/1186260827.db2.gz WCKFNMXCKIMOKC-MRXNPFEDSA-N 1 2 392.481 0.344 20 30 GCEDLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(C#N)c1 ZINC000610952300 1186265701 /nfs/dbraw/zinc/26/57/01/1186265701.db2.gz KFWGRIOZNMDVDJ-OAHLLOKOSA-N 1 2 396.451 0.903 20 30 GCEDLO COc1ccc(C(N)=[NH+]OCc2nnnn2CC2CCOCC2)cc1OC ZINC000277582809 1186521376 /nfs/dbraw/zinc/52/13/76/1186521376.db2.gz USEULIOBUAAJMV-UHFFFAOYSA-N 1 2 376.417 0.954 20 30 GCEDLO N#Cc1c(NC(=O)CC[NH+]2CCN(C(=O)CO)CC2)sc2c1CCCC2 ZINC000152580404 1186544272 /nfs/dbraw/zinc/54/42/72/1186544272.db2.gz WBQVNBJZLFVEKZ-UHFFFAOYSA-N 1 2 376.482 0.964 20 30 GCEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000178726582 1186737946 /nfs/dbraw/zinc/73/79/46/1186737946.db2.gz LXJSTKDYUNLSJG-OAHLLOKOSA-N 1 2 399.476 0.850 20 30 GCEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N[C@@H]2CCC(=O)N(C)C2)CCC(=O)N1C1CC1 ZINC000329137439 1186864193 /nfs/dbraw/zinc/86/41/93/1186864193.db2.gz RKTDRTHIGQNKGB-RVZJWNSFSA-N 1 2 388.472 0.739 20 30 GCEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)[C@@H]2C1 ZINC000246198916 1186912811 /nfs/dbraw/zinc/91/28/11/1186912811.db2.gz XPKSQCJBKNKMFW-YRXWBPOGSA-N 1 2 378.517 0.947 20 30 GCEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)[C@@H]2C1 ZINC000246198916 1186912816 /nfs/dbraw/zinc/91/28/16/1186912816.db2.gz XPKSQCJBKNKMFW-YRXWBPOGSA-N 1 2 378.517 0.947 20 30 GCEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000472299940 1186929994 /nfs/dbraw/zinc/92/99/94/1186929994.db2.gz PGCMUCWTMCKMOB-UHFFFAOYSA-N 1 2 380.426 0.952 20 30 GCEDLO C[C@@H](CNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)[NH+]1CCOCC1 ZINC000329468028 1186945966 /nfs/dbraw/zinc/94/59/66/1186945966.db2.gz XAKRONQCTPFYEF-INIZCTEOSA-N 1 2 395.525 0.942 20 30 GCEDLO CCOC(=O)CON=C(C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccn[nH]1 ZINC000278661929 1187010715 /nfs/dbraw/zinc/01/07/15/1187010715.db2.gz OBWBPSLNIXMCJB-JHIQSCMMSA-N 1 2 388.428 1.000 20 30 GCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001719812384 1187275853 /nfs/dbraw/zinc/27/58/53/1187275853.db2.gz GRALYBUDLJFJFJ-VUHPKUFZSA-N 1 2 377.485 0.548 20 30 GCEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000658436786 1187298877 /nfs/dbraw/zinc/29/88/77/1187298877.db2.gz GORMAKBRVPIAFE-MRXNPFEDSA-N 1 2 375.473 0.969 20 30 GCEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000658451530 1187305500 /nfs/dbraw/zinc/30/55/00/1187305500.db2.gz ZCSQMGKCGKYWGI-OAHLLOKOSA-N 1 2 397.483 0.827 20 30 GCEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cc1 ZINC000785215673 1187312628 /nfs/dbraw/zinc/31/26/28/1187312628.db2.gz HCRGGQGKNWRCTO-HNNXBMFYSA-N 1 2 387.436 0.733 20 30 GCEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cc1 ZINC000785215673 1187312631 /nfs/dbraw/zinc/31/26/31/1187312631.db2.gz HCRGGQGKNWRCTO-HNNXBMFYSA-N 1 2 387.436 0.733 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001024625973 1187549653 /nfs/dbraw/zinc/54/96/53/1187549653.db2.gz DWUAVPFCOIMSPX-SRABZTEZSA-N 1 2 384.436 0.617 20 30 GCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000414106178 1187718209 /nfs/dbraw/zinc/71/82/09/1187718209.db2.gz HWWBCLUKIKONSK-RHSMWYFYSA-N 1 2 375.385 0.568 20 30 GCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000414106178 1187718214 /nfs/dbraw/zinc/71/82/14/1187718214.db2.gz HWWBCLUKIKONSK-RHSMWYFYSA-N 1 2 375.385 0.568 20 30 GCEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](CNS(N)(=O)=O)C3)o2)cc1 ZINC000173713244 1187735392 /nfs/dbraw/zinc/73/53/92/1187735392.db2.gz GTGNWDGDFBHTSX-ZDUSSCGKSA-N 1 2 376.442 0.613 20 30 GCEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](CNS(N)(=O)=O)C3)o2)cc1 ZINC000173713244 1187735396 /nfs/dbraw/zinc/73/53/96/1187735396.db2.gz GTGNWDGDFBHTSX-ZDUSSCGKSA-N 1 2 376.442 0.613 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000329992467 1187845255 /nfs/dbraw/zinc/84/52/55/1187845255.db2.gz KOGOAYUKSAXUKA-QGZVFWFLSA-N 1 2 378.477 0.167 20 30 GCEDLO N#Cc1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c[nH]1 ZINC000181294111 1187913747 /nfs/dbraw/zinc/91/37/47/1187913747.db2.gz XGMIHXHQFPAYDR-OAHLLOKOSA-N 1 2 381.440 0.912 20 30 GCEDLO N#Cc1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c[nH]1 ZINC000181294111 1187913751 /nfs/dbraw/zinc/91/37/51/1187913751.db2.gz XGMIHXHQFPAYDR-OAHLLOKOSA-N 1 2 381.440 0.912 20 30 GCEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000363916924 1189573998 /nfs/dbraw/zinc/57/39/98/1189573998.db2.gz CTJQQCZZENVKCR-MRXNPFEDSA-N 1 2 379.482 0.698 20 30 GCEDLO C=CCn1c(-c2ncccn2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000417456690 1189668074 /nfs/dbraw/zinc/66/80/74/1189668074.db2.gz GTXLLYZLVDNLFZ-CQSZACIVSA-N 1 2 382.472 0.710 20 30 GCEDLO C=C(C)Cn1c(-c2ncon2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000909330201 1189806275 /nfs/dbraw/zinc/80/62/75/1189806275.db2.gz FQBVXFLSNFSTKI-UHFFFAOYSA-N 1 2 388.476 0.895 20 30 GCEDLO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)N(C)C)CC2)c(OC)c1 ZINC000614224656 1193750002 /nfs/dbraw/zinc/75/00/02/1193750002.db2.gz NJFMJWBJXPQRKM-SFHVURJKSA-N 1 2 391.512 0.869 20 30 GCEDLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCCC#N)cc2)CC1 ZINC000426421733 1193821801 /nfs/dbraw/zinc/82/18/01/1193821801.db2.gz SNSFMNGIAVJHDK-UHFFFAOYSA-N 1 2 387.484 0.985 20 30 GCEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000419352565 1193849101 /nfs/dbraw/zinc/84/91/01/1193849101.db2.gz IPXPQQQGAQNLPJ-SJORKVTESA-N 1 2 384.436 0.807 20 30 GCEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000419352565 1193849105 /nfs/dbraw/zinc/84/91/05/1193849105.db2.gz IPXPQQQGAQNLPJ-SJORKVTESA-N 1 2 384.436 0.807 20 30 GCEDLO CC#CC[C@H](CO)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000645224047 1193849158 /nfs/dbraw/zinc/84/91/58/1193849158.db2.gz FRPQUSZZXYIIGE-GOSISDBHSA-N 1 2 375.469 0.971 20 30 GCEDLO C[C@@]1(F)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000501392400 1194139129 /nfs/dbraw/zinc/13/91/29/1194139129.db2.gz JBCQSGNGZCOZIR-GOSISDBHSA-N 1 2 394.472 0.825 20 30 GCEDLO C[C@@]1(F)CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000501392400 1194139135 /nfs/dbraw/zinc/13/91/35/1194139135.db2.gz JBCQSGNGZCOZIR-GOSISDBHSA-N 1 2 394.472 0.825 20 30 GCEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366551797 1194210048 /nfs/dbraw/zinc/21/00/48/1194210048.db2.gz AKIDRFRXXYHVPY-HOCLYGCPSA-N 1 2 385.472 0.432 20 30 GCEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366551797 1194210051 /nfs/dbraw/zinc/21/00/51/1194210051.db2.gz AKIDRFRXXYHVPY-HOCLYGCPSA-N 1 2 385.472 0.432 20 30 GCEDLO CCOC(=O)c1c(NC(=O)C(=O)N2CC[NH+](CC)CC2)c(C#N)cn1CC ZINC000421172627 1194304001 /nfs/dbraw/zinc/30/40/01/1194304001.db2.gz LHPWPEUJLVWALW-UHFFFAOYSA-N 1 2 375.429 0.659 20 30 GCEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000422527281 1194662324 /nfs/dbraw/zinc/66/23/24/1194662324.db2.gz LOFYUSMEADPSKY-OALUTQOASA-N 1 2 389.496 0.442 20 30 GCEDLO C=CCCn1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000424625037 1194826681 /nfs/dbraw/zinc/82/66/81/1194826681.db2.gz GRRPPDWBDQVIBZ-UHFFFAOYSA-N 1 2 383.456 0.718 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505349354 1194835533 /nfs/dbraw/zinc/83/55/33/1194835533.db2.gz CSSRZIWLWAYDSG-YOEHRIQHSA-N 1 2 399.451 0.600 20 30 GCEDLO CN(CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000505542564 1194873462 /nfs/dbraw/zinc/87/34/62/1194873462.db2.gz KDNAPBJDXHOSEF-SFHVURJKSA-N 1 2 399.476 0.747 20 30 GCEDLO N#CCCN(CCC(=O)NC(=O)NCC(F)(F)F)CC[NH+]1CCOCC1 ZINC000435031507 1194884676 /nfs/dbraw/zinc/88/46/76/1194884676.db2.gz BCQBEOZTEXFOKZ-UHFFFAOYSA-N 1 2 379.383 0.312 20 30 GCEDLO N#CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN1CCOCC1 ZINC000435031507 1194884679 /nfs/dbraw/zinc/88/46/79/1194884679.db2.gz BCQBEOZTEXFOKZ-UHFFFAOYSA-N 1 2 379.383 0.312 20 30 GCEDLO N#CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN1CCOCC1 ZINC000435031507 1194884682 /nfs/dbraw/zinc/88/46/82/1194884682.db2.gz BCQBEOZTEXFOKZ-UHFFFAOYSA-N 1 2 379.383 0.312 20 30 GCEDLO O=C(CCS)N1CC[N@H+](Cc2cccc(=O)[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001269954219 1194929564 /nfs/dbraw/zinc/92/95/64/1194929564.db2.gz ZOORFXSJRNJZRC-GOSISDBHSA-N 1 2 378.498 0.790 20 30 GCEDLO O=C(CCS)N1CC[N@@H+](Cc2cccc(=O)[nH]2)C[C@]2(CCCC(=O)N2)C1 ZINC001269954219 1194929567 /nfs/dbraw/zinc/92/95/67/1194929567.db2.gz ZOORFXSJRNJZRC-GOSISDBHSA-N 1 2 378.498 0.790 20 30 GCEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000516111910 1195024362 /nfs/dbraw/zinc/02/43/62/1195024362.db2.gz KRRPASUEOXYXFT-KRWDZBQOSA-N 1 2 390.509 0.968 20 30 GCEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000516111910 1195024367 /nfs/dbraw/zinc/02/43/67/1195024367.db2.gz KRRPASUEOXYXFT-KRWDZBQOSA-N 1 2 390.509 0.968 20 30 GCEDLO C=CCOc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000438669727 1195235546 /nfs/dbraw/zinc/23/55/46/1195235546.db2.gz UENOOCAITLNGIN-UHFFFAOYSA-N 1 2 399.451 1.357 20 30 GCEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000440287425 1195401947 /nfs/dbraw/zinc/40/19/47/1195401947.db2.gz ZMZCSUWVRIECDS-LBPRGKRZSA-N 1 2 386.843 1.498 20 30 GCEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000440287425 1195401948 /nfs/dbraw/zinc/40/19/48/1195401948.db2.gz ZMZCSUWVRIECDS-LBPRGKRZSA-N 1 2 386.843 1.498 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025053599 1195463731 /nfs/dbraw/zinc/46/37/31/1195463731.db2.gz SETWQGORLOFSKE-AWEZNQCLSA-N 1 2 394.497 0.830 20 30 GCEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000427057927 1195503658 /nfs/dbraw/zinc/50/36/58/1195503658.db2.gz WLQOEINCEKPWDJ-GFCCVEGCSA-N 1 2 393.382 1.149 20 30 GCEDLO Cc1cnn(CC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1 ZINC000328816979 1195666479 /nfs/dbraw/zinc/66/64/79/1195666479.db2.gz GTKNSZOTRSEFHS-MRXNPFEDSA-N 1 2 399.499 0.995 20 30 GCEDLO Cc1nn(C)cc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328829633 1195669002 /nfs/dbraw/zinc/66/90/02/1195669002.db2.gz KFSUCFLYPQTJIH-OAHLLOKOSA-N 1 2 399.499 0.880 20 30 GCEDLO C[C@@H](NC(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O)C(=O)N1CCCCC1 ZINC000328883104 1195674099 /nfs/dbraw/zinc/67/40/99/1195674099.db2.gz NCUWZPZRZMSDNQ-CYBMUJFWSA-N 1 2 379.461 0.565 20 30 GCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000330519570 1195691718 /nfs/dbraw/zinc/69/17/18/1195691718.db2.gz PSHLQFGVRLCFEJ-OAHLLOKOSA-N 1 2 390.550 0.805 20 30 GCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000330519570 1195691720 /nfs/dbraw/zinc/69/17/20/1195691720.db2.gz PSHLQFGVRLCFEJ-OAHLLOKOSA-N 1 2 390.550 0.805 20 30 GCEDLO CCCS(=O)(=O)NC1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000330518992 1195691748 /nfs/dbraw/zinc/69/17/48/1195691748.db2.gz PHKHECYSVNTNIB-UHFFFAOYSA-N 1 2 390.550 0.805 20 30 GCEDLO CCCS(=O)(=O)NC1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000330518992 1195691751 /nfs/dbraw/zinc/69/17/51/1195691751.db2.gz PHKHECYSVNTNIB-UHFFFAOYSA-N 1 2 390.550 0.805 20 30 GCEDLO CCCS(=O)(=O)NC1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000330644883 1195699041 /nfs/dbraw/zinc/69/90/41/1195699041.db2.gz HVXUGGPAMUESRT-OAHLLOKOSA-N 1 2 389.566 0.330 20 30 GCEDLO CN(C)S(=O)(=O)c1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)nc1 ZINC000331203011 1195723338 /nfs/dbraw/zinc/72/33/38/1195723338.db2.gz RDYOTHNVDYBJDT-UHFFFAOYSA-N 1 2 385.490 0.769 20 30 GCEDLO CN(C)S(=O)(=O)c1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)nc1 ZINC000331203011 1195723341 /nfs/dbraw/zinc/72/33/41/1195723341.db2.gz RDYOTHNVDYBJDT-UHFFFAOYSA-N 1 2 385.490 0.769 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000895916041 1196118002 /nfs/dbraw/zinc/11/80/02/1196118002.db2.gz TYABOOTWDNHNEZ-UHFFFAOYSA-N 1 2 387.465 0.854 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000895915907 1196118015 /nfs/dbraw/zinc/11/80/15/1196118015.db2.gz ORXUZPRHGQBODB-UHFFFAOYSA-N 1 2 376.482 0.164 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000895916048 1196118071 /nfs/dbraw/zinc/11/80/71/1196118071.db2.gz UKYNCQQEGXNJTP-UHFFFAOYSA-N 1 2 375.498 0.622 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000896181278 1196131904 /nfs/dbraw/zinc/13/19/04/1196131904.db2.gz IUUOBKXLCLYCDS-SFHVURJKSA-N 1 2 398.507 0.928 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000896181278 1196131906 /nfs/dbraw/zinc/13/19/06/1196131906.db2.gz IUUOBKXLCLYCDS-SFHVURJKSA-N 1 2 398.507 0.928 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000896180512 1196132231 /nfs/dbraw/zinc/13/22/31/1196132231.db2.gz DHKOEFJNSMPTPL-GOSISDBHSA-N 1 2 391.512 0.636 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000896180512 1196132234 /nfs/dbraw/zinc/13/22/34/1196132234.db2.gz DHKOEFJNSMPTPL-GOSISDBHSA-N 1 2 391.512 0.636 20 30 GCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)CCO1 ZINC000329113093 1196165739 /nfs/dbraw/zinc/16/57/39/1196165739.db2.gz HHPFYGUOFWLPPJ-LJQANCHMSA-N 1 2 382.505 0.461 20 30 GCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)CCO1 ZINC000329113093 1196165742 /nfs/dbraw/zinc/16/57/42/1196165742.db2.gz HHPFYGUOFWLPPJ-LJQANCHMSA-N 1 2 382.505 0.461 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2csnn2)CC3)CC1 ZINC000329117022 1196165830 /nfs/dbraw/zinc/16/58/30/1196165830.db2.gz UHECXQOXKFHWMZ-GFCCVEGCSA-N 1 2 389.485 0.689 20 30 GCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329120115 1196166484 /nfs/dbraw/zinc/16/64/84/1196166484.db2.gz JZYFNNPKKTUPEW-IBGZPJMESA-N 1 2 382.505 0.461 20 30 GCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329120115 1196166492 /nfs/dbraw/zinc/16/64/92/1196166492.db2.gz JZYFNNPKKTUPEW-IBGZPJMESA-N 1 2 382.505 0.461 20 30 GCEDLO Cc1[nH+]ccn1CCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329321334 1196185267 /nfs/dbraw/zinc/18/52/67/1196185267.db2.gz JCVWTCHIWUKRKE-HNNXBMFYSA-N 1 2 385.490 0.232 20 30 GCEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)C[C@H]21 ZINC000329339940 1196186688 /nfs/dbraw/zinc/18/66/88/1196186688.db2.gz NZNKELVQMQANQV-BRWVUGGUSA-N 1 2 379.505 0.986 20 30 GCEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)C[C@H]21 ZINC000329339940 1196186690 /nfs/dbraw/zinc/18/66/90/1196186690.db2.gz NZNKELVQMQANQV-BRWVUGGUSA-N 1 2 379.505 0.986 20 30 GCEDLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@@]12CCOC2 ZINC000329544299 1196204522 /nfs/dbraw/zinc/20/45/22/1196204522.db2.gz FXLQPAGIUCKLJO-MAUKXSAKSA-N 1 2 394.497 0.917 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOCC2(CCOCC2)C1 ZINC000329563694 1196205822 /nfs/dbraw/zinc/20/58/22/1196205822.db2.gz NPWNMUICGICIRB-UHFFFAOYSA-N 1 2 393.488 0.890 20 30 GCEDLO O=C(C[N@H+]1CCSC[C@H]1CO)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329624054 1196211616 /nfs/dbraw/zinc/21/16/16/1196211616.db2.gz GDZLQJRHDDZFRG-MRXNPFEDSA-N 1 2 378.498 0.786 20 30 GCEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329624054 1196211618 /nfs/dbraw/zinc/21/16/18/1196211618.db2.gz GDZLQJRHDDZFRG-MRXNPFEDSA-N 1 2 378.498 0.786 20 30 GCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCNC(=O)c3cnccn3)CC2)cc1 ZINC000522612598 1196225499 /nfs/dbraw/zinc/22/54/99/1196225499.db2.gz DUKOHWVZLDDPPL-UHFFFAOYSA-N 1 2 393.451 0.605 20 30 GCEDLO O=S(=O)([C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1)N1CCOCC1 ZINC000329748181 1196229163 /nfs/dbraw/zinc/22/91/63/1196229163.db2.gz STYHACJXIDNOHS-ZIAGYGMSSA-N 1 2 397.501 0.307 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@H](n4cncn4)C3)ccn2)CC1 ZINC000329846636 1196234165 /nfs/dbraw/zinc/23/41/65/1196234165.db2.gz PAMKBPWJDZEZOB-INIZCTEOSA-N 1 2 398.471 0.943 20 30 GCEDLO CC(C)C(=O)N1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000329996576 1196244911 /nfs/dbraw/zinc/24/49/11/1196244911.db2.gz PDBRVBYKBIYMSB-UHFFFAOYSA-N 1 2 392.504 0.951 20 30 GCEDLO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@@H+](C3CCOCC3)C[C@@H]1C)CC2 ZINC000330203348 1196259180 /nfs/dbraw/zinc/25/91/80/1196259180.db2.gz ARJUFDPCEUYHKE-GJZGRUSLSA-N 1 2 392.504 0.838 20 30 GCEDLO COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[N@H+](C3CCOCC3)C[C@@H]1C)CC2 ZINC000330203348 1196259183 /nfs/dbraw/zinc/25/91/83/1196259183.db2.gz ARJUFDPCEUYHKE-GJZGRUSLSA-N 1 2 392.504 0.838 20 30 GCEDLO CC(C)(C)N1C[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000330262296 1196262328 /nfs/dbraw/zinc/26/23/28/1196262328.db2.gz UUQKTOZMWRDBPR-OAHLLOKOSA-N 1 2 389.504 0.502 20 30 GCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000281471809 1196298887 /nfs/dbraw/zinc/29/88/87/1196298887.db2.gz WAMIDXGKHBLUNN-CVEARBPZSA-N 1 2 388.468 0.671 20 30 GCEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000281471809 1196298890 /nfs/dbraw/zinc/29/88/90/1196298890.db2.gz WAMIDXGKHBLUNN-CVEARBPZSA-N 1 2 388.468 0.671 20 30 GCEDLO C=CCN1CC[C@H](N(C)c2cc(N(C)[C@H]3CCN(CC=C)C3=O)[nH+]cn2)C1=O ZINC000281988837 1196356930 /nfs/dbraw/zinc/35/69/30/1196356930.db2.gz VLOJRQQCIUJICV-HOTGVXAUSA-N 1 2 384.484 0.923 20 30 GCEDLO C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1=O ZINC000522996052 1196375285 /nfs/dbraw/zinc/37/52/85/1196375285.db2.gz FDRRRRPYERFUHK-UHFFFAOYSA-N 1 2 397.391 0.877 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000525601000 1196692089 /nfs/dbraw/zinc/69/20/89/1196692089.db2.gz FOSWTKPQAADXDL-MRXNPFEDSA-N 1 2 394.541 0.764 20 30 GCEDLO CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448506750 1196812114 /nfs/dbraw/zinc/81/21/14/1196812114.db2.gz BLSDUURJMNISGF-UHFFFAOYSA-N 1 2 396.451 0.684 20 30 GCEDLO C[C@H]1C[C@]1(C#N)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448698934 1196824586 /nfs/dbraw/zinc/82/45/86/1196824586.db2.gz RMIISXXGUGRTPN-WMLDXEAASA-N 1 2 377.470 0.199 20 30 GCEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528401834 1196856194 /nfs/dbraw/zinc/85/61/94/1196856194.db2.gz ZUYGHSWJPRQHCH-IEBWSBKVSA-N 1 2 386.496 0.926 20 30 GCEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528401834 1196856197 /nfs/dbraw/zinc/85/61/97/1196856197.db2.gz ZUYGHSWJPRQHCH-IEBWSBKVSA-N 1 2 386.496 0.926 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000528735210 1196884498 /nfs/dbraw/zinc/88/44/98/1196884498.db2.gz RAIGEGOCCUPEMN-GOSISDBHSA-N 1 2 383.452 0.334 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000528735210 1196884502 /nfs/dbraw/zinc/88/45/02/1196884502.db2.gz RAIGEGOCCUPEMN-GOSISDBHSA-N 1 2 383.452 0.334 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000528738810 1196885495 /nfs/dbraw/zinc/88/54/95/1196885495.db2.gz QVAILYVAVGYLRD-LJQANCHMSA-N 1 2 397.479 0.724 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000528738810 1196885502 /nfs/dbraw/zinc/88/55/02/1196885502.db2.gz QVAILYVAVGYLRD-LJQANCHMSA-N 1 2 397.479 0.724 20 30 GCEDLO COCc1ccc(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1C#N ZINC000529209865 1196908300 /nfs/dbraw/zinc/90/83/00/1196908300.db2.gz FKWYEWVLLYVRCV-MRXNPFEDSA-N 1 2 375.429 0.354 20 30 GCEDLO COCc1ccc(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1C#N ZINC000529209865 1196908305 /nfs/dbraw/zinc/90/83/05/1196908305.db2.gz FKWYEWVLLYVRCV-MRXNPFEDSA-N 1 2 375.429 0.354 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)c1C#N ZINC000530408483 1196985786 /nfs/dbraw/zinc/98/57/86/1196985786.db2.gz RCRFYCYXCNJOTJ-AWEZNQCLSA-N 1 2 375.477 0.153 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)c1C#N ZINC000530408483 1196985788 /nfs/dbraw/zinc/98/57/88/1196985788.db2.gz RCRFYCYXCNJOTJ-AWEZNQCLSA-N 1 2 375.477 0.153 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000531699301 1197093064 /nfs/dbraw/zinc/09/30/64/1197093064.db2.gz ZUEJTUSPRJBCSI-KGLIPLIRSA-N 1 2 380.470 0.062 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000531699301 1197093067 /nfs/dbraw/zinc/09/30/67/1197093067.db2.gz ZUEJTUSPRJBCSI-KGLIPLIRSA-N 1 2 380.470 0.062 20 30 GCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000453659771 1197118109 /nfs/dbraw/zinc/11/81/09/1197118109.db2.gz DCKGJXXGNMMZRE-NSHDSACASA-N 1 2 393.831 0.641 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1 ZINC000170899079 1197288477 /nfs/dbraw/zinc/28/84/77/1197288477.db2.gz NMPXBCPATDZAQE-UHFFFAOYSA-N 1 2 390.871 0.354 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1 ZINC000170899079 1197288480 /nfs/dbraw/zinc/28/84/80/1197288480.db2.gz NMPXBCPATDZAQE-UHFFFAOYSA-N 1 2 390.871 0.354 20 30 GCEDLO Cn1ncc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1C#N ZINC000475910819 1197379315 /nfs/dbraw/zinc/37/93/15/1197379315.db2.gz KTWKOONNLSHEFF-CQSZACIVSA-N 1 2 396.455 0.317 20 30 GCEDLO Cn1ncc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1C#N ZINC000475910819 1197379319 /nfs/dbraw/zinc/37/93/19/1197379319.db2.gz KTWKOONNLSHEFF-CQSZACIVSA-N 1 2 396.455 0.317 20 30 GCEDLO CN(C)S(=O)(=O)CCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000729674421 1197393682 /nfs/dbraw/zinc/39/36/82/1197393682.db2.gz KSLKQHJSFAQADN-UHFFFAOYSA-N 1 2 384.502 0.437 20 30 GCEDLO Cc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)n(CCC#N)n1 ZINC000533008195 1197426210 /nfs/dbraw/zinc/42/62/10/1197426210.db2.gz HIBZXLKTHZEJTO-MRXNPFEDSA-N 1 2 390.488 0.907 20 30 GCEDLO CCN(C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1)S(C)(=O)=O ZINC000533062542 1197430141 /nfs/dbraw/zinc/43/01/41/1197430141.db2.gz NAFDNJRIMAZOET-UHFFFAOYSA-N 1 2 378.498 0.920 20 30 GCEDLO N#Cc1cccc(C2(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC000533401467 1197449063 /nfs/dbraw/zinc/44/90/63/1197449063.db2.gz PRWNUYWZVRDPCZ-GOSISDBHSA-N 1 2 382.464 0.639 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN(CC#N)C2CCCC2)CC1 ZINC000172571127 1199035581 /nfs/dbraw/zinc/03/55/81/1199035581.db2.gz RRNLFWBVYUYMJM-UHFFFAOYSA-N 1 2 382.472 0.780 20 30 GCEDLO N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)C2=O)cc1 ZINC000332971607 1199895446 /nfs/dbraw/zinc/89/54/46/1199895446.db2.gz BOBKUZAIHZKCOW-RTBURBONSA-N 1 2 397.479 0.775 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001083853257 1200138696 /nfs/dbraw/zinc/13/86/96/1200138696.db2.gz KYLUUSNCMBDYSS-DMUMMCEESA-N 1 2 393.528 0.922 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCCC2)C[C@@H]1O ZINC001083853257 1200138700 /nfs/dbraw/zinc/13/87/00/1200138700.db2.gz KYLUUSNCMBDYSS-DMUMMCEESA-N 1 2 393.528 0.922 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1OC ZINC000946818927 1200174422 /nfs/dbraw/zinc/17/44/22/1200174422.db2.gz RFZQATXVRDXOOO-APIJFGDWSA-N 1 2 376.457 0.620 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000171232612 1200204547 /nfs/dbraw/zinc/20/45/47/1200204547.db2.gz LQEPDBMYUKVBAK-UHFFFAOYSA-N 1 2 387.465 0.972 20 30 GCEDLO C=CCN(C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000804081105 1200484876 /nfs/dbraw/zinc/48/48/76/1200484876.db2.gz GPFXKYSOBIDMDC-UHFFFAOYSA-N 1 2 387.484 0.660 20 30 GCEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000328993896 1200624145 /nfs/dbraw/zinc/62/41/45/1200624145.db2.gz DWQYLPNLGSWTQV-HOCLYGCPSA-N 1 2 389.460 0.805 20 30 GCEDLO N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCn3cc[nH+]c3)n2)c(F)c1 ZINC000376286220 1200685963 /nfs/dbraw/zinc/68/59/63/1200685963.db2.gz QWRJIHCYZZFMKT-UHFFFAOYSA-N 1 2 381.371 1.225 20 30 GCEDLO N#Cc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c(F)c1 ZINC000564804874 1200695247 /nfs/dbraw/zinc/69/52/47/1200695247.db2.gz VCJNWHLRCMGCJV-UHFFFAOYSA-N 1 2 386.387 0.803 20 30 GCEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000509355602 1200903130 /nfs/dbraw/zinc/90/31/30/1200903130.db2.gz NCRICYSPUVKYBH-HNNXBMFYSA-N 1 2 394.501 0.189 20 30 GCEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000546612390 1200970993 /nfs/dbraw/zinc/97/09/93/1200970993.db2.gz LUNPIDMJIMNEEY-OAHLLOKOSA-N 1 2 382.472 1.205 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563668 1201134788 /nfs/dbraw/zinc/13/47/88/1201134788.db2.gz JMBJLCZTPNCZRQ-WTGUMLROSA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563668 1201134795 /nfs/dbraw/zinc/13/47/95/1201134795.db2.gz JMBJLCZTPNCZRQ-WTGUMLROSA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563668 1201134813 /nfs/dbraw/zinc/13/48/13/1201134813.db2.gz JMBJLCZTPNCZRQ-WTGUMLROSA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@@H](NC(=O)[C@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563668 1201134815 /nfs/dbraw/zinc/13/48/15/1201134815.db2.gz JMBJLCZTPNCZRQ-WTGUMLROSA-N 1 2 386.540 0.686 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000923574936 1201155803 /nfs/dbraw/zinc/15/58/03/1201155803.db2.gz WYWLRWMZOMKJGX-AWEZNQCLSA-N 1 2 395.481 0.903 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000923574936 1201155805 /nfs/dbraw/zinc/15/58/05/1201155805.db2.gz WYWLRWMZOMKJGX-AWEZNQCLSA-N 1 2 395.481 0.903 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000923589082 1201169230 /nfs/dbraw/zinc/16/92/30/1201169230.db2.gz MQUFSQJOLPCPCB-CQSZACIVSA-N 1 2 381.454 0.128 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000923589082 1201169232 /nfs/dbraw/zinc/16/92/32/1201169232.db2.gz MQUFSQJOLPCPCB-CQSZACIVSA-N 1 2 381.454 0.128 20 30 GCEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611540691 1201244076 /nfs/dbraw/zinc/24/40/76/1201244076.db2.gz NYEJEARNZHWLSV-CABCVRRESA-N 1 2 380.426 0.686 20 30 GCEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611540693 1201244498 /nfs/dbraw/zinc/24/44/98/1201244498.db2.gz NYEJEARNZHWLSV-HUUCEWRRSA-N 1 2 380.426 0.686 20 30 GCEDLO C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+]1CC(=O)NCC#Cc1ccccc1 ZINC001691675721 1201252795 /nfs/dbraw/zinc/25/27/95/1201252795.db2.gz CUDKCLUXFNUZQD-ONZODILHSA-N 1 2 381.476 0.770 20 30 GCEDLO C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CC[N@H+]1CC(=O)NCC#Cc1ccccc1 ZINC001691675721 1201252800 /nfs/dbraw/zinc/25/28/00/1201252800.db2.gz CUDKCLUXFNUZQD-ONZODILHSA-N 1 2 381.476 0.770 20 30 GCEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001082141620 1201318958 /nfs/dbraw/zinc/31/89/58/1201318958.db2.gz YLMGVUFYLOOXMT-NOXHYTERSA-N 1 2 376.482 0.837 20 30 GCEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001082141620 1201318966 /nfs/dbraw/zinc/31/89/66/1201318966.db2.gz YLMGVUFYLOOXMT-NOXHYTERSA-N 1 2 376.482 0.837 20 30 GCEDLO C[C@@H]1OCCO[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083109815 1201378126 /nfs/dbraw/zinc/37/81/26/1201378126.db2.gz UKEPZXAMJAFMSL-SJWGOKEGSA-N 1 2 377.466 0.835 20 30 GCEDLO C[C@@H]1OCCO[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083109815 1201378130 /nfs/dbraw/zinc/37/81/30/1201378130.db2.gz UKEPZXAMJAFMSL-SJWGOKEGSA-N 1 2 377.466 0.835 20 30 GCEDLO N#Cc1cnc(N2CC[C@@H]([NH+]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC3)C2)cn1 ZINC001065205158 1201407703 /nfs/dbraw/zinc/40/77/03/1201407703.db2.gz BIYGYRMOIACJJL-SGTQZHETSA-N 1 2 394.479 0.495 20 30 GCEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)c1 ZINC001084659125 1201425241 /nfs/dbraw/zinc/42/52/41/1201425241.db2.gz PQNMELWTVQRQML-NKGKWGDASA-N 1 2 386.427 0.763 20 30 GCEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)c1 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/nfs/dbraw/zinc/57/72/24/1201577224.db2.gz IEERFFIAJQCOBW-HXUWFJFHSA-N 1 2 393.491 0.811 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000733148698 1201577229 /nfs/dbraw/zinc/57/72/29/1201577229.db2.gz IEERFFIAJQCOBW-HXUWFJFHSA-N 1 2 393.491 0.811 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000733149768 1201577278 /nfs/dbraw/zinc/57/72/78/1201577278.db2.gz QLLFTHQHPDYJSF-INIZCTEOSA-N 1 2 376.501 0.355 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000733149768 1201577283 /nfs/dbraw/zinc/57/72/83/1201577283.db2.gz QLLFTHQHPDYJSF-INIZCTEOSA-N 1 2 376.501 0.355 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OCC(=O)OC)cc2)CC1 ZINC000733148614 1201577839 /nfs/dbraw/zinc/57/78/39/1201577839.db2.gz DZXRSQPHAGCTEL-UHFFFAOYSA-N 1 2 387.436 0.136 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OCC(=O)OC)cc2)CC1 ZINC000733148614 1201577840 /nfs/dbraw/zinc/57/78/40/1201577840.db2.gz DZXRSQPHAGCTEL-UHFFFAOYSA-N 1 2 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20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cncs1)C2 ZINC001109427870 1202046709 /nfs/dbraw/zinc/04/67/09/1202046709.db2.gz AFKSJFNOINAYSP-XBFCOCLRSA-N 1 2 377.470 0.419 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cncs1)C2 ZINC001109427870 1202046713 /nfs/dbraw/zinc/04/67/13/1202046713.db2.gz AFKSJFNOINAYSP-XBFCOCLRSA-N 1 2 377.470 0.419 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC(F)F)n1)C2 ZINC001109431252 1202047801 /nfs/dbraw/zinc/04/78/01/1202047801.db2.gz FLJSFCGEVQQGQI-UXOAXIEHSA-N 1 2 379.411 0.621 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC(F)F)n1)C2 ZINC001109431252 1202047804 /nfs/dbraw/zinc/04/78/04/1202047804.db2.gz FLJSFCGEVQQGQI-UXOAXIEHSA-N 1 2 379.411 0.621 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(CC(F)F)nc1C)C2 ZINC001109431439 1202047966 /nfs/dbraw/zinc/04/79/66/1202047966.db2.gz PDXJVHBXNUAGID-SNPRPXQTSA-N 1 2 379.411 0.541 20 30 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1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1CC)C2 ZINC001109544003 1202077185 /nfs/dbraw/zinc/07/71/85/1202077185.db2.gz VDVOAEMRQSRRLI-OWYFMNJBSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1CC)C2 ZINC001109544003 1202077186 /nfs/dbraw/zinc/07/71/86/1202077186.db2.gz VDVOAEMRQSRRLI-OWYFMNJBSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1-n1cccn1)C2 ZINC001109584858 1202085000 /nfs/dbraw/zinc/08/50/00/1202085000.db2.gz ZWSKBXPHDTYQFB-PVAVHDDUSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1-n1cccn1)C2 ZINC001109584858 1202085003 /nfs/dbraw/zinc/08/50/03/1202085003.db2.gz ZWSKBXPHDTYQFB-PVAVHDDUSA-N 1 2 380.452 0.905 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(=O)c3ccccc13)C2 ZINC001109587457 1202086057 /nfs/dbraw/zinc/08/60/57/1202086057.db2.gz JJVMSGYOOUTGQL-DQYPLSBCSA-N 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0.480 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CC1CCCC1)C2 ZINC001109843507 1202133612 /nfs/dbraw/zinc/13/36/12/1202133612.db2.gz NLWDTDOHODSTLK-PMPSAXMXSA-N 1 2 375.473 0.044 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)CC1CCCC1)C2 ZINC001109843507 1202133615 /nfs/dbraw/zinc/13/36/15/1202133615.db2.gz NLWDTDOHODSTLK-PMPSAXMXSA-N 1 2 375.473 0.044 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nocc1C)C2 ZINC001109934258 1202153102 /nfs/dbraw/zinc/15/31/02/1202153102.db2.gz XACGRBYKVCZIQN-CRWXNKLISA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nocc1C)C2 ZINC001109934258 1202153105 /nfs/dbraw/zinc/15/31/05/1202153105.db2.gz XACGRBYKVCZIQN-CRWXNKLISA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1csc(COC)n1)C2 ZINC001109949951 1202156675 /nfs/dbraw/zinc/15/66/75/1202156675.db2.gz DOSGYWDBTMRCCC-ILXRZTDVSA-N 1 2 378.498 0.856 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1csc(COC)n1)C2 ZINC001109949951 1202156678 /nfs/dbraw/zinc/15/66/78/1202156678.db2.gz DOSGYWDBTMRCCC-ILXRZTDVSA-N 1 2 378.498 0.856 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnn3)cc1)C2 ZINC001109967962 1202164804 /nfs/dbraw/zinc/16/48/04/1202164804.db2.gz UDCIIGWZGLAKMG-IKGGRYGDSA-N 1 2 379.424 0.242 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnn3)cc1)C2 ZINC001109967962 1202164807 /nfs/dbraw/zinc/16/48/07/1202164807.db2.gz UDCIIGWZGLAKMG-IKGGRYGDSA-N 1 2 379.424 0.242 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnn3)cc1)C2 ZINC001109967815 1202164895 /nfs/dbraw/zinc/16/48/95/1202164895.db2.gz NWGHLXDGTDAQFG-SQNIBIBYSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnn3)cc1)C2 ZINC001109967815 1202164896 /nfs/dbraw/zinc/16/48/96/1202164896.db2.gz NWGHLXDGTDAQFG-SQNIBIBYSA-N 1 2 378.436 0.352 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@@H+]3CCO[C@H](C)C3)CC2)c1C#N ZINC000788313620 1205420126 /nfs/dbraw/zinc/42/01/26/1205420126.db2.gz NPMUZWOFLCSYGN-CQSZACIVSA-N 1 2 375.477 0.153 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+]3CCO[C@H](C)C3)CC2)c1C#N ZINC000788313620 1205420128 /nfs/dbraw/zinc/42/01/28/1205420128.db2.gz NPMUZWOFLCSYGN-CQSZACIVSA-N 1 2 375.477 0.153 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)N(C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000788375811 1205421004 /nfs/dbraw/zinc/42/10/04/1205421004.db2.gz CFTNCPZEWNSFQK-MRXNPFEDSA-N 1 2 385.468 0.932 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Cn3cnc(C#N)n3)C2)CC1 ZINC000804761604 1205525576 /nfs/dbraw/zinc/52/55/76/1205525576.db2.gz JVINDRKSWZCMFG-CQSZACIVSA-N 1 2 389.460 0.303 20 30 GCEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCO[C@H]2C(C)C)n[nH]1 ZINC001130212829 1205536831 /nfs/dbraw/zinc/53/68/31/1205536831.db2.gz GDMXNOOUBMAXTD-OVWQWFNUSA-N 1 2 389.500 0.967 20 30 GCEDLO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)n[nH]1 ZINC001130229903 1205538770 /nfs/dbraw/zinc/53/87/70/1205538770.db2.gz HCBBLLXDPAWFLV-DFGXFYAUSA-N 1 2 387.484 0.721 20 30 GCEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)CC1 ZINC000747374651 1205576498 /nfs/dbraw/zinc/57/64/98/1205576498.db2.gz JPZZPWBPVPMOHG-UHFFFAOYSA-N 1 2 382.350 0.494 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000104007879 1205624855 /nfs/dbraw/zinc/62/48/55/1205624855.db2.gz JRKCAVDOIVMSMX-UHFFFAOYSA-N 1 2 398.385 0.151 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000104007879 1205624856 /nfs/dbraw/zinc/62/48/56/1205624856.db2.gz JRKCAVDOIVMSMX-UHFFFAOYSA-N 1 2 398.385 0.151 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000809501292 1205626520 /nfs/dbraw/zinc/62/65/20/1205626520.db2.gz HRROYZGTFMBORH-GASCZTMLSA-N 1 2 388.468 0.751 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000809501292 1205626522 /nfs/dbraw/zinc/62/65/22/1205626522.db2.gz HRROYZGTFMBORH-GASCZTMLSA-N 1 2 388.468 0.751 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000812830968 1205669204 /nfs/dbraw/zinc/66/92/04/1205669204.db2.gz GDHDMTFNNUKNDT-HNNXBMFYSA-N 1 2 391.415 0.824 20 30 GCEDLO C#CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C(=O)OC ZINC001173694394 1205726724 /nfs/dbraw/zinc/72/67/24/1205726724.db2.gz ORNJKMLWMDXRQE-AWEZNQCLSA-N 1 2 395.437 0.902 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001110183625 1205736388 /nfs/dbraw/zinc/73/63/88/1205736388.db2.gz ZXYLLFABANHRMW-WCVJEAGWSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001110183625 1205736389 /nfs/dbraw/zinc/73/63/89/1205736389.db2.gz ZXYLLFABANHRMW-WCVJEAGWSA-N 1 2 380.489 0.923 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)cc1 ZINC001176720118 1205752908 /nfs/dbraw/zinc/75/29/08/1205752908.db2.gz YCXATXCCWWRXRY-HNNXBMFYSA-N 1 2 377.466 0.295 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 ZINC001176720119 1205752974 /nfs/dbraw/zinc/75/29/74/1205752974.db2.gz YCXATXCCWWRXRY-OAHLLOKOSA-N 1 2 377.466 0.295 20 30 GCEDLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001177079270 1205761082 /nfs/dbraw/zinc/76/10/82/1205761082.db2.gz SIFHBHVJAGQNLP-SNVBAGLBSA-N 1 2 397.399 0.600 20 30 GCEDLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001177079270 1205761084 /nfs/dbraw/zinc/76/10/84/1205761084.db2.gz SIFHBHVJAGQNLP-SNVBAGLBSA-N 1 2 397.399 0.600 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnn3)c1)C2 ZINC001110203927 1205766797 /nfs/dbraw/zinc/76/67/97/1205766797.db2.gz VFFJAUVIWNZDEB-PVAVHDDUSA-N 1 2 379.424 0.242 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnn3)c1)C2 ZINC001110203927 1205766798 /nfs/dbraw/zinc/76/67/98/1205766798.db2.gz VFFJAUVIWNZDEB-PVAVHDDUSA-N 1 2 379.424 0.242 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2 ZINC001110214347 1205779658 /nfs/dbraw/zinc/77/96/58/1205779658.db2.gz FTGZZLIRHMIHLB-BDXSIMOUSA-N 1 2 376.501 0.398 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2 ZINC001110214347 1205779660 /nfs/dbraw/zinc/77/96/60/1205779660.db2.gz FTGZZLIRHMIHLB-BDXSIMOUSA-N 1 2 376.501 0.398 20 30 GCEDLO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1N ZINC001178986737 1205798901 /nfs/dbraw/zinc/79/89/01/1205798901.db2.gz QESFAJPTHGQDQH-INIZCTEOSA-N 1 2 393.451 0.523 20 30 GCEDLO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1N ZINC001178986737 1205798902 /nfs/dbraw/zinc/79/89/02/1205798902.db2.gz QESFAJPTHGQDQH-INIZCTEOSA-N 1 2 393.451 0.523 20 30 GCEDLO C#C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CCCO1 ZINC000773799190 1205802027 /nfs/dbraw/zinc/80/20/27/1205802027.db2.gz RPKAPBFNTWDKTF-MOPGFXCFSA-N 1 2 384.480 0.670 20 30 GCEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)C1 ZINC001180757450 1205830706 /nfs/dbraw/zinc/83/07/06/1205830706.db2.gz UPHDHEIEPZPGKM-HNNXBMFYSA-N 1 2 389.437 0.417 20 30 GCEDLO C[N@H+]1CCO[C@H](C(=O)Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)C1 ZINC001180757450 1205830708 /nfs/dbraw/zinc/83/07/08/1205830708.db2.gz UPHDHEIEPZPGKM-HNNXBMFYSA-N 1 2 389.437 0.417 20 30 GCEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C ZINC001180785301 1205831972 /nfs/dbraw/zinc/83/19/72/1205831972.db2.gz ZFGRKKXOXWLNGM-QWHCGFSZSA-N 1 2 379.417 0.427 20 30 GCEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C ZINC001180784481 1205832067 /nfs/dbraw/zinc/83/20/67/1205832067.db2.gz TZGZEQQXUIYJBU-KBPBESRZSA-N 1 2 393.444 0.817 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)no1)C2 ZINC001110278843 1205864886 /nfs/dbraw/zinc/86/48/86/1205864886.db2.gz FVXIRNMLZHEFRR-SYQHCUMBSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)no1)C2 ZINC001110278843 1205864887 /nfs/dbraw/zinc/86/48/87/1205864887.db2.gz FVXIRNMLZHEFRR-SYQHCUMBSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302401 1205870493 /nfs/dbraw/zinc/87/04/93/1205870493.db2.gz BWUXQVOHAMNAIX-DGAVXFQQSA-N 1 2 379.486 0.365 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302401 1205870496 /nfs/dbraw/zinc/87/04/96/1205870496.db2.gz BWUXQVOHAMNAIX-DGAVXFQQSA-N 1 2 379.486 0.365 20 30 GCEDLO CCOCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302857 1205872004 /nfs/dbraw/zinc/87/20/04/1205872004.db2.gz URZDRFPXVGTOSZ-JJXSEGSLSA-N 1 2 382.530 0.896 20 30 GCEDLO CCOCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302857 1205872006 /nfs/dbraw/zinc/87/20/06/1205872006.db2.gz URZDRFPXVGTOSZ-JJXSEGSLSA-N 1 2 382.530 0.896 20 30 GCEDLO CN1CCN(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3C#N)C2)CC1=O ZINC001183832967 1205901117 /nfs/dbraw/zinc/90/11/17/1205901117.db2.gz ZFBHNIRCLYNSNS-FQEVSTJZSA-N 1 2 395.507 0.898 20 30 GCEDLO CN1CCN(C2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3C#N)C2)CC1=O ZINC001183832967 1205901118 /nfs/dbraw/zinc/90/11/18/1205901118.db2.gz ZFBHNIRCLYNSNS-FQEVSTJZSA-N 1 2 395.507 0.898 20 30 GCEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001185961920 1205932817 /nfs/dbraw/zinc/93/28/17/1205932817.db2.gz HCEZWFVEBLVCDT-ROMHJBHXSA-N 1 2 399.495 0.604 20 30 GCEDLO C=CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001186574838 1205942265 /nfs/dbraw/zinc/94/22/65/1205942265.db2.gz SIMNLCFEDJZASU-HNNXBMFYSA-N 1 2 380.489 0.832 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)N[C@H](C#N)C(N)=O)C1 ZINC001186850968 1205949490 /nfs/dbraw/zinc/94/94/90/1205949490.db2.gz YFFLCELAOKHPTO-BFHYXJOUSA-N 1 2 379.461 0.344 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)N[C@H](C#N)C(N)=O)C1 ZINC001186850968 1205949491 /nfs/dbraw/zinc/94/94/91/1205949491.db2.gz YFFLCELAOKHPTO-BFHYXJOUSA-N 1 2 379.461 0.344 20 30 GCEDLO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189375557 1206002924 /nfs/dbraw/zinc/00/29/24/1206002924.db2.gz NLADDKNRUQHAPO-DZJNRPSUSA-N 1 2 382.464 0.971 20 30 GCEDLO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189375557 1206002927 /nfs/dbraw/zinc/00/29/27/1206002927.db2.gz NLADDKNRUQHAPO-DZJNRPSUSA-N 1 2 382.464 0.971 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)cc3C#N)C2)C1 ZINC001164718896 720226271 /nfs/dbraw/zinc/22/62/71/720226271.db2.gz OIABPDCNNYNJLQ-KRWDZBQOSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)cc3C#N)C2)C1 ZINC001164718896 720226280 /nfs/dbraw/zinc/22/62/80/720226280.db2.gz OIABPDCNNYNJLQ-KRWDZBQOSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(C)c3C#N)C2)C1 ZINC001164720467 720253333 /nfs/dbraw/zinc/25/33/33/720253333.db2.gz WOYWRIYVUDVWDW-SFHVURJKSA-N 1 2 392.891 0.975 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)nc(C)c3C#N)C2)C1 ZINC001164720467 720253341 /nfs/dbraw/zinc/25/33/41/720253341.db2.gz WOYWRIYVUDVWDW-SFHVURJKSA-N 1 2 392.891 0.975 20 30 GCEDLO Cc1nc(C#N)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830654 720482263 /nfs/dbraw/zinc/48/22/63/720482263.db2.gz CILKFBNZBRMSKY-MRXNPFEDSA-N 1 2 397.483 0.843 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)[C@@H]1C ZINC001573285106 946767391 /nfs/dbraw/zinc/76/73/91/946767391.db2.gz CXKOZVOABCIHDS-KMFMINBZSA-N 1 2 380.456 0.443 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nc2)[C@@H]1C ZINC001573285106 946767398 /nfs/dbraw/zinc/76/73/98/946767398.db2.gz CXKOZVOABCIHDS-KMFMINBZSA-N 1 2 380.456 0.443 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001573285089 946767795 /nfs/dbraw/zinc/76/77/95/946767795.db2.gz CRZLPOMJJNZUGA-ZFWWWQNUSA-N 1 2 381.444 0.061 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Nc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001573285089 946767798 /nfs/dbraw/zinc/76/77/98/946767798.db2.gz CRZLPOMJJNZUGA-ZFWWWQNUSA-N 1 2 381.444 0.061 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC(n2cc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)nn2)C1 ZINC001573561638 946964814 /nfs/dbraw/zinc/96/48/14/946964814.db2.gz LRKZNENIEQXJHA-LBPRGKRZSA-N 1 2 392.427 0.291 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573573115 947119102 /nfs/dbraw/zinc/11/91/02/947119102.db2.gz MPJJWPABMYUYOE-MEDUHNTESA-N 1 2 375.458 0.531 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573573115 947119107 /nfs/dbraw/zinc/11/91/07/947119107.db2.gz MPJJWPABMYUYOE-MEDUHNTESA-N 1 2 375.458 0.531 20 30 GCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC2(C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)O1 ZINC001573577884 947176887 /nfs/dbraw/zinc/17/68/87/947176887.db2.gz UUIKXTWSTKZPRY-CZUORRHYSA-N 1 2 381.440 0.876 20 30 GCEDLO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC001573584885 947237813 /nfs/dbraw/zinc/23/78/13/947237813.db2.gz HDYATSVBOKRXIE-LBPRGKRZSA-N 1 2 392.427 0.291 20 30 GCEDLO CC#CCCCC(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573359217 947680912 /nfs/dbraw/zinc/68/09/12/947680912.db2.gz XJMSFJCJKDTWSS-UHFFFAOYSA-N 1 2 382.472 0.694 20 30 GCEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1Br ZINC000288222453 530259038 /nfs/dbraw/zinc/25/90/38/530259038.db2.gz VBRSBCHUASRRCC-UHFFFAOYSA-N 1 2 381.230 0.396 20 30 GCEDLO C[C@H]1C[NH+]=C(N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)S1 ZINC000289905568 530296597 /nfs/dbraw/zinc/29/65/97/530296597.db2.gz NCUKHNCIFJXBTP-ZDUSSCGKSA-N 1 2 379.511 0.836 20 30 GCEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000264505478 530371245 /nfs/dbraw/zinc/37/12/45/530371245.db2.gz JDFMKGQPIPEXBX-LLVKDONJSA-N 1 2 385.877 0.655 20 30 GCEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000264505478 530371247 /nfs/dbraw/zinc/37/12/47/530371247.db2.gz JDFMKGQPIPEXBX-LLVKDONJSA-N 1 2 385.877 0.655 20 30 GCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330379794 530519406 /nfs/dbraw/zinc/51/94/06/530519406.db2.gz UAFNMGLXGZGYGV-GJZGRUSLSA-N 1 2 376.548 0.510 20 30 GCEDLO CCS(=O)(=O)NC1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000330440850 530520670 /nfs/dbraw/zinc/52/06/70/530520670.db2.gz OVADGAPPMIRWQY-UHFFFAOYSA-N 1 2 376.523 0.415 20 30 GCEDLO CCS(=O)(=O)NC1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000330440850 530520671 /nfs/dbraw/zinc/52/06/71/530520671.db2.gz OVADGAPPMIRWQY-UHFFFAOYSA-N 1 2 376.523 0.415 20 30 GCEDLO CCS(=O)(=O)NC1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000330512142 530520840 /nfs/dbraw/zinc/52/08/40/530520840.db2.gz JOWDORFATHUSCM-UHFFFAOYSA-N 1 2 376.523 0.415 20 30 GCEDLO CCS(=O)(=O)NC1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000330512142 530520841 /nfs/dbraw/zinc/52/08/41/530520841.db2.gz JOWDORFATHUSCM-UHFFFAOYSA-N 1 2 376.523 0.415 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451296847 530577077 /nfs/dbraw/zinc/57/70/77/530577077.db2.gz GMPWRUFIIACKBA-AWEZNQCLSA-N 1 2 387.889 0.720 20 30 GCEDLO N#CC1(CNS(=O)(=O)c2ccc(S(=O)(=O)Nc3c[nH+]c[nH]3)cc2)CC1 ZINC000574290555 530589731 /nfs/dbraw/zinc/58/97/31/530589731.db2.gz LXDVWEDHFNWKPI-UHFFFAOYSA-N 1 2 381.439 0.793 20 30 GCEDLO C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1 ZINC000576003205 530604509 /nfs/dbraw/zinc/60/45/09/530604509.db2.gz OCVWPLNLIFMLSK-LBPRGKRZSA-N 1 2 383.455 0.052 20 30 GCEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267598170 530587106 /nfs/dbraw/zinc/58/71/06/530587106.db2.gz KYSROYVBODWZEU-TZMCWYRMSA-N 1 2 382.511 0.986 20 30 GCEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267598170 530587108 /nfs/dbraw/zinc/58/71/08/530587108.db2.gz KYSROYVBODWZEU-TZMCWYRMSA-N 1 2 382.511 0.986 20 30 GCEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000330252580 530630644 /nfs/dbraw/zinc/63/06/44/530630644.db2.gz IKUNHYXSVHQENI-LBPRGKRZSA-N 1 2 375.495 0.256 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000349450131 530635855 /nfs/dbraw/zinc/63/58/55/530635855.db2.gz LMVLONKGNIFWEM-AWEZNQCLSA-N 1 2 386.499 0.632 20 30 GCEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000267866094 530661005 /nfs/dbraw/zinc/66/10/05/530661005.db2.gz IWICFLLVNGDYCA-CYBMUJFWSA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000267866094 530661008 /nfs/dbraw/zinc/66/10/08/530661008.db2.gz IWICFLLVNGDYCA-CYBMUJFWSA-N 1 2 387.303 0.845 20 30 GCEDLO N#CC1(NS(=O)(=O)CCCCS(=O)(=O)N2CCc3c[nH+]ccc32)CC1 ZINC000349604582 530716259 /nfs/dbraw/zinc/71/62/59/530716259.db2.gz RSRIDHHENMVJLA-UHFFFAOYSA-N 1 2 384.483 0.530 20 30 GCEDLO C=C(C)CS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477506730 530744641 /nfs/dbraw/zinc/74/46/41/530744641.db2.gz TZURQHWRYQLAOQ-UHFFFAOYSA-N 1 2 388.515 0.029 20 30 GCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC[N@H+]1C ZINC000580843906 530751289 /nfs/dbraw/zinc/75/12/89/530751289.db2.gz IRYOOCBMRKTOBO-OLZOCXBDSA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC[N@@H+]1C ZINC000580843906 530751291 /nfs/dbraw/zinc/75/12/91/530751291.db2.gz IRYOOCBMRKTOBO-OLZOCXBDSA-N 1 2 386.499 0.202 20 30 GCEDLO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1)CCC2 ZINC000603580935 530828649 /nfs/dbraw/zinc/82/86/49/530828649.db2.gz IJGAXGGOJNXPCM-UHFFFAOYSA-N 1 2 383.499 0.258 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3c(Cl)cccc3C#N)CC2)CC1 ZINC000301342406 530815515 /nfs/dbraw/zinc/81/55/15/530815515.db2.gz GCXTYMAFCQGLPN-UHFFFAOYSA-N 1 2 383.905 0.826 20 30 GCEDLO N#Cc1ccsc1NC(=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000511995404 530820750 /nfs/dbraw/zinc/82/07/50/530820750.db2.gz RUNVRJCQSVWKLX-MRXNPFEDSA-N 1 2 380.495 0.882 20 30 GCEDLO CC[N@@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@@H]1C ZINC000349513689 530886623 /nfs/dbraw/zinc/88/66/23/530886623.db2.gz XZSYZYDVHZWPGT-AWEZNQCLSA-N 1 2 394.563 0.296 20 30 GCEDLO CC[N@H+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@@H]1C ZINC000349513689 530886625 /nfs/dbraw/zinc/88/66/25/530886625.db2.gz XZSYZYDVHZWPGT-AWEZNQCLSA-N 1 2 394.563 0.296 20 30 GCEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278675284 530916728 /nfs/dbraw/zinc/91/67/28/530916728.db2.gz GCJOSIQMNBIVQT-LBPRGKRZSA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278675284 530916732 /nfs/dbraw/zinc/91/67/32/530916732.db2.gz GCJOSIQMNBIVQT-LBPRGKRZSA-N 1 2 387.303 0.845 20 30 GCEDLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000509421926 530917929 /nfs/dbraw/zinc/91/79/29/530917929.db2.gz AOVBBVAIXZVKHT-CABCVRRESA-N 1 2 394.563 0.296 20 30 GCEDLO Cc1cc(Br)cn2cc(CNC(=O)NCC(=O)NCC#N)[nH+]c12 ZINC000511925339 530940488 /nfs/dbraw/zinc/94/04/88/530940488.db2.gz YJBYGICJQASIBK-UHFFFAOYSA-N 1 2 379.218 0.844 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC(C)(C)C#N)CC1 ZINC000514872192 531084501 /nfs/dbraw/zinc/08/45/01/531084501.db2.gz CQBZNZRJBDEERA-UHFFFAOYSA-N 1 2 386.499 0.203 20 30 GCEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381900 598859815 /nfs/dbraw/zinc/85/98/15/598859815.db2.gz RULRYYQTCCPYQQ-MRXNPFEDSA-N 1 2 382.424 0.542 20 30 GCEDLO C=CC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735419007 598538469 /nfs/dbraw/zinc/53/84/69/598538469.db2.gz OGYCIHUQZQCUSB-HNNXBMFYSA-N 1 2 390.469 0.870 20 30 GCEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735419007 598538470 /nfs/dbraw/zinc/53/84/70/598538470.db2.gz OGYCIHUQZQCUSB-HNNXBMFYSA-N 1 2 390.469 0.870 20 30 GCEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000823919406 607609485 /nfs/dbraw/zinc/60/94/85/607609485.db2.gz FAAQPQOVBYQZLA-UHFFFAOYSA-N 1 2 393.429 0.704 20 30 GCEDLO N#Cc1cc(CN2CC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C[C@H](O)C2)ccn1 ZINC000826383759 608803554 /nfs/dbraw/zinc/80/35/54/608803554.db2.gz OXZVFVCYCATEIM-QGZVFWFLSA-N 1 2 391.439 0.207 20 30 GCEDLO N#Cc1cc(CN2CC[N@@H+](Cc3ccnc(-c4nn[nH]n4)c3)C[C@H](O)C2)ccn1 ZINC000826383759 608803557 /nfs/dbraw/zinc/80/35/57/608803557.db2.gz OXZVFVCYCATEIM-QGZVFWFLSA-N 1 2 391.439 0.207 20 30 GCEDLO N#Cc1c(NC[C@]2([NH+]3CCOCC3)CCSC2)cccc1S(N)(=O)=O ZINC000754978069 640463063 /nfs/dbraw/zinc/46/30/63/640463063.db2.gz TUVAZNMWTUYBNU-MRXNPFEDSA-N 1 2 382.511 0.825 20 30 GCEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000779794669 641195870 /nfs/dbraw/zinc/19/58/70/641195870.db2.gz KRLWNKREEFDGPJ-JTQLQIEISA-N 1 2 387.487 0.074 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000889812428 641879633 /nfs/dbraw/zinc/87/96/33/641879633.db2.gz YBDUJSPQRULUGL-STQMWFEESA-N 1 2 377.242 0.921 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000889812428 641879638 /nfs/dbraw/zinc/87/96/38/641879638.db2.gz YBDUJSPQRULUGL-STQMWFEESA-N 1 2 377.242 0.921 20 30 GCEDLO N#Cc1sc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H](O)C2)nc1Cl ZINC001044749160 642076057 /nfs/dbraw/zinc/07/60/57/642076057.db2.gz LMRBNGSRUUCDSM-OYBPUVFXSA-N 1 2 378.845 0.861 20 30 GCEDLO N#Cc1sc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H](O)C2)nc1Cl ZINC001044749160 642076064 /nfs/dbraw/zinc/07/60/64/642076064.db2.gz LMRBNGSRUUCDSM-OYBPUVFXSA-N 1 2 378.845 0.861 20 30 GCEDLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000569057645 1192359448 /nfs/dbraw/zinc/35/94/48/1192359448.db2.gz FRFLRRCRUMXOHM-UHFFFAOYSA-N 1 2 394.432 0.372 20 30 GCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000585731097 1192401261 /nfs/dbraw/zinc/40/12/61/1192401261.db2.gz GZNKZBMYJCXHFW-CYBMUJFWSA-N 1 2 397.439 0.474 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058872889 1192413909 /nfs/dbraw/zinc/41/39/09/1192413909.db2.gz IJRJTMIWAKBKPU-LHHMISFZSA-N 1 2 390.484 0.442 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000279184223 1192481748 /nfs/dbraw/zinc/48/17/48/1192481748.db2.gz IDQZALHVFPAIDM-LJQANCHMSA-N 1 2 385.464 0.752 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000279184223 1192481750 /nfs/dbraw/zinc/48/17/50/1192481750.db2.gz IDQZALHVFPAIDM-LJQANCHMSA-N 1 2 385.464 0.752 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000279249533 1192495019 /nfs/dbraw/zinc/49/50/19/1192495019.db2.gz HABROZJVIXDEHB-HNNXBMFYSA-N 1 2 379.482 0.391 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000279513457 1192549667 /nfs/dbraw/zinc/54/96/67/1192549667.db2.gz XOPCHLDZRFGXCM-HNNXBMFYSA-N 1 2 391.472 0.205 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H](C)CCC)C2)CC1 ZINC000112904725 1192716408 /nfs/dbraw/zinc/71/64/08/1192716408.db2.gz QVDYSTNQMFZHQF-DLBZAZTESA-N 1 2 376.501 0.307 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H](C)CCC)C2)CC1 ZINC000112904725 1192716412 /nfs/dbraw/zinc/71/64/12/1192716412.db2.gz QVDYSTNQMFZHQF-DLBZAZTESA-N 1 2 376.501 0.307 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000784905148 1184129033 /nfs/dbraw/zinc/12/90/33/1184129033.db2.gz BSMMQWVWRSFXCG-ZIAGYGMSSA-N 1 2 381.454 0.489 20 30 GCEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000784923646 1184209908 /nfs/dbraw/zinc/20/99/08/1184209908.db2.gz YXFKTZHORCREQQ-UHFFFAOYSA-N 1 2 380.448 0.498 20 30 GCEDLO C#CCOc1ccccc1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275033640 1184468968 /nfs/dbraw/zinc/46/89/68/1184468968.db2.gz IYYOGYJVCLFUBZ-UHFFFAOYSA-N 1 2 397.435 0.805 20 30 GCEDLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083194560 1184517009 /nfs/dbraw/zinc/51/70/09/1184517009.db2.gz WHDZJLHYXDAXLE-FUMNGEBKSA-N 1 2 381.476 0.851 20 30 GCEDLO NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@H]32)C1 ZINC001083194560 1184517015 /nfs/dbraw/zinc/51/70/15/1184517015.db2.gz WHDZJLHYXDAXLE-FUMNGEBKSA-N 1 2 381.476 0.851 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000328644120 1184579095 /nfs/dbraw/zinc/57/90/95/1184579095.db2.gz FSOKHUILNJWOKB-QZTJIDSGSA-N 1 2 395.548 0.640 20 30 GCEDLO C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000155354981 1184627403 /nfs/dbraw/zinc/62/74/03/1184627403.db2.gz GSVWGDKPWDTMRS-ZIAGYGMSSA-N 1 2 375.454 0.874 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001083198739 1184676752 /nfs/dbraw/zinc/67/67/52/1184676752.db2.gz OFSXTBQKXHLDLX-YDZRNGNQSA-N 1 2 385.464 0.788 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001083198739 1184676756 /nfs/dbraw/zinc/67/67/56/1184676756.db2.gz OFSXTBQKXHLDLX-YDZRNGNQSA-N 1 2 385.464 0.788 20 30 GCEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000784971108 1184783807 /nfs/dbraw/zinc/78/38/07/1184783807.db2.gz KVVDSYGUAHUGES-LSDHHAIUSA-N 1 2 390.440 0.067 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1O ZINC000970712208 1184980863 /nfs/dbraw/zinc/98/08/63/1184980863.db2.gz ZSKKKQJCZIYQKV-NCOADZHNSA-N 1 2 388.468 0.041 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000275900345 1185256848 /nfs/dbraw/zinc/25/68/48/1185256848.db2.gz JDXVRZVSCPYBCZ-GFCCVEGCSA-N 1 2 376.388 0.732 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000275900345 1185256853 /nfs/dbraw/zinc/25/68/53/1185256853.db2.gz JDXVRZVSCPYBCZ-GFCCVEGCSA-N 1 2 376.388 0.732 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000275959867 1185340971 /nfs/dbraw/zinc/34/09/71/1185340971.db2.gz SJRKDEGFHVUBEF-LBPRGKRZSA-N 1 2 376.388 0.732 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000275959867 1185340975 /nfs/dbraw/zinc/34/09/75/1185340975.db2.gz SJRKDEGFHVUBEF-LBPRGKRZSA-N 1 2 376.388 0.732 20 30 GCEDLO C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000932997981 1185408677 /nfs/dbraw/zinc/40/86/77/1185408677.db2.gz HPCQWQDLEVGNBE-MOPGFXCFSA-N 1 2 385.464 0.627 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+]C2(c3ncccn3)CCOCC2)CC1 ZINC000933339491 1185798461 /nfs/dbraw/zinc/79/84/61/1185798461.db2.gz DGTHHRJBQLNNKL-KRWDZBQOSA-N 1 2 386.500 0.764 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000891605859 1185940395 /nfs/dbraw/zinc/94/03/95/1185940395.db2.gz ATIRBQRAPSFPBX-GOSISDBHSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000891605859 1185940397 /nfs/dbraw/zinc/94/03/97/1185940397.db2.gz ATIRBQRAPSFPBX-GOSISDBHSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000891606359 1185940453 /nfs/dbraw/zinc/94/04/53/1185940453.db2.gz GFNYXIMXTCCYSN-SFHVURJKSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000891606359 1185940455 /nfs/dbraw/zinc/94/04/55/1185940455.db2.gz GFNYXIMXTCCYSN-SFHVURJKSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000891606340 1185940486 /nfs/dbraw/zinc/94/04/86/1185940486.db2.gz FYQADQZEGOMKEW-KRWDZBQOSA-N 1 2 396.447 0.488 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1 ZINC000891606340 1185940489 /nfs/dbraw/zinc/94/04/89/1185940489.db2.gz FYQADQZEGOMKEW-KRWDZBQOSA-N 1 2 396.447 0.488 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1 ZINC000891607136 1185941313 /nfs/dbraw/zinc/94/13/13/1185941313.db2.gz RDWUJQITJALZEJ-MRXNPFEDSA-N 1 2 391.493 0.692 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1 ZINC000891607136 1185941318 /nfs/dbraw/zinc/94/13/18/1185941318.db2.gz RDWUJQITJALZEJ-MRXNPFEDSA-N 1 2 391.493 0.692 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000891608387 1185941700 /nfs/dbraw/zinc/94/17/00/1185941700.db2.gz VVOLOEJRKISNIA-MRXNPFEDSA-N 1 2 386.452 0.306 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000891608387 1185941705 /nfs/dbraw/zinc/94/17/05/1185941705.db2.gz VVOLOEJRKISNIA-MRXNPFEDSA-N 1 2 386.452 0.306 20 30 GCEDLO CCOC(=O)CON=C(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccn[nH]1 ZINC000276695225 1185972622 /nfs/dbraw/zinc/97/26/22/1185972622.db2.gz QMCNOJQPGJAQDQ-WRGUXLKQSA-N 1 2 395.460 0.309 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000276768558 1186036353 /nfs/dbraw/zinc/03/63/53/1186036353.db2.gz BHMWNJCAVJLZOP-UHFFFAOYSA-N 1 2 399.360 0.874 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000276768558 1186036358 /nfs/dbraw/zinc/03/63/58/1186036358.db2.gz BHMWNJCAVJLZOP-UHFFFAOYSA-N 1 2 399.360 0.874 20 30 GCEDLO CC[N@H+](CCCOc1cccc(C#N)c1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000477761358 1186044904 /nfs/dbraw/zinc/04/49/04/1186044904.db2.gz SNDOKNIPMXQFRT-INIZCTEOSA-N 1 2 379.482 0.952 20 30 GCEDLO CC[N@@H+](CCCOc1cccc(C#N)c1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000477761358 1186044911 /nfs/dbraw/zinc/04/49/11/1186044911.db2.gz SNDOKNIPMXQFRT-INIZCTEOSA-N 1 2 379.482 0.952 20 30 GCEDLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510903801 1186154518 /nfs/dbraw/zinc/15/45/18/1186154518.db2.gz UIYYPOKREDVOJY-CYBMUJFWSA-N 1 2 382.461 0.709 20 30 GCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000247530846 1186167401 /nfs/dbraw/zinc/16/74/01/1186167401.db2.gz ZWEQGMTYYNWKQG-CVEARBPZSA-N 1 2 386.504 0.204 20 30 GCEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000277012743 1186228948 /nfs/dbraw/zinc/22/89/48/1186228948.db2.gz PYEZZWNENIBFPZ-HNNXBMFYSA-N 1 2 379.482 0.908 20 30 GCEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000277012743 1186228955 /nfs/dbraw/zinc/22/89/55/1186228955.db2.gz PYEZZWNENIBFPZ-HNNXBMFYSA-N 1 2 379.482 0.908 20 30 GCEDLO COc1cc(C)[nH+]c(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)c1 ZINC000548617772 1186349656 /nfs/dbraw/zinc/34/96/56/1186349656.db2.gz JUVYUFHWYPUUPI-LBPRGKRZSA-N 1 2 385.445 0.268 20 30 GCEDLO CCOC(=O)CON=C(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccn[nH]1 ZINC000277953004 1186719359 /nfs/dbraw/zinc/71/93/59/1186719359.db2.gz HFOHYVUMYRXYNX-DOTVFMQRSA-N 1 2 376.417 0.651 20 30 GCEDLO C[C@H](NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000329129975 1186817380 /nfs/dbraw/zinc/81/73/80/1186817380.db2.gz WPGZOSQMZPCYNL-ROUUACIJSA-N 1 2 395.548 0.640 20 30 GCEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000135368837 1186858166 /nfs/dbraw/zinc/85/81/66/1186858166.db2.gz RWORIAFLTDZCLC-UHFFFAOYSA-N 1 2 382.472 0.472 20 30 GCEDLO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329232038 1186880482 /nfs/dbraw/zinc/88/04/82/1186880482.db2.gz LBEBNFDTQUHOTO-KFWWJZLASA-N 1 2 378.477 0.968 20 30 GCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000329234755 1186881062 /nfs/dbraw/zinc/88/10/62/1186881062.db2.gz IBZIFWSSHFWLEV-AWEZNQCLSA-N 1 2 383.470 0.343 20 30 GCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000329234755 1186881064 /nfs/dbraw/zinc/88/10/64/1186881064.db2.gz IBZIFWSSHFWLEV-AWEZNQCLSA-N 1 2 383.470 0.343 20 30 GCEDLO CCOC(=O)CON=C(C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccn[nH]1 ZINC000278661931 1187010892 /nfs/dbraw/zinc/01/08/92/1187010892.db2.gz OBWBPSLNIXMCJB-YXDNYIMLSA-N 1 2 388.428 1.000 20 30 GCEDLO C=CCN(C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](C)COC ZINC000658374812 1187278679 /nfs/dbraw/zinc/27/86/79/1187278679.db2.gz WDUMLROBLHVZNR-OAHLLOKOSA-N 1 2 379.461 0.203 20 30 GCEDLO C=CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](C)COC ZINC000658374117 1187284096 /nfs/dbraw/zinc/28/40/96/1187284096.db2.gz KAOARARPSBQEBU-OAHLLOKOSA-N 1 2 379.461 0.203 20 30 GCEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024376630 1187367300 /nfs/dbraw/zinc/36/73/00/1187367300.db2.gz UDEIXNZMTFGGMY-PSBWJHGTSA-N 1 2 378.432 0.425 20 30 GCEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024376630 1187367304 /nfs/dbraw/zinc/36/73/04/1187367304.db2.gz UDEIXNZMTFGGMY-PSBWJHGTSA-N 1 2 378.432 0.425 20 30 GCEDLO COCCCS(=O)(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000431779198 1187705947 /nfs/dbraw/zinc/70/59/47/1187705947.db2.gz RHTWPUVZTPNSDD-UHFFFAOYSA-N 1 2 394.497 0.871 20 30 GCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000414106177 1187717736 /nfs/dbraw/zinc/71/77/36/1187717736.db2.gz HWWBCLUKIKONSK-PBHICJAKSA-N 1 2 375.385 0.568 20 30 GCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000414106177 1187717743 /nfs/dbraw/zinc/71/77/43/1187717743.db2.gz HWWBCLUKIKONSK-PBHICJAKSA-N 1 2 375.385 0.568 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000329992466 1187845519 /nfs/dbraw/zinc/84/55/19/1187845519.db2.gz KOGOAYUKSAXUKA-KRWDZBQOSA-N 1 2 378.477 0.167 20 30 GCEDLO CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@H](O)C(F)(F)F ZINC000189524053 1187942119 /nfs/dbraw/zinc/94/21/19/1187942119.db2.gz YPBAXBWCSQWXMY-ZDUSSCGKSA-N 1 2 389.378 0.748 20 30 GCEDLO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@H](O)C(F)(F)F ZINC000189524053 1187942122 /nfs/dbraw/zinc/94/21/22/1187942122.db2.gz YPBAXBWCSQWXMY-ZDUSSCGKSA-N 1 2 389.378 0.748 20 30 GCEDLO C#CC[C@]1(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CCCN1C(=O)OC(C)(C)C ZINC000377694434 1188107330 /nfs/dbraw/zinc/10/73/30/1188107330.db2.gz IWIHRXDGWORREA-OXJNMPFZSA-N 1 2 376.501 0.895 20 30 GCEDLO CC(C)Nc1nc(N2CCC(Oc3cccc(C#N)c3)CC2)nc(NCCO)[nH+]1 ZINC000377981364 1189397739 /nfs/dbraw/zinc/39/77/39/1189397739.db2.gz CYOZQPAQETYQQS-UHFFFAOYSA-N 1 2 397.483 0.859 20 30 GCEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@H+](C)C1 ZINC000416592814 1189558643 /nfs/dbraw/zinc/55/86/43/1189558643.db2.gz VHHIUKFOARHZIH-NSHDSACASA-N 1 2 382.398 0.192 20 30 GCEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@@H+](C)C1 ZINC000416592814 1189558645 /nfs/dbraw/zinc/55/86/45/1189558645.db2.gz VHHIUKFOARHZIH-NSHDSACASA-N 1 2 382.398 0.192 20 30 GCEDLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000433062226 1193738517 /nfs/dbraw/zinc/73/85/17/1193738517.db2.gz SIQPCRYEAUSQDS-KRWDZBQOSA-N 1 2 388.449 0.743 20 30 GCEDLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000433062226 1193738520 /nfs/dbraw/zinc/73/85/20/1193738520.db2.gz SIQPCRYEAUSQDS-KRWDZBQOSA-N 1 2 388.449 0.743 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C2(O)CCC2)CC3)CC1 ZINC000329081865 1193892902 /nfs/dbraw/zinc/89/29/02/1193892902.db2.gz DILXXYUOYFUSML-CQSZACIVSA-N 1 2 375.473 0.705 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](NC(C)=O)c2cccs2)CC1 ZINC000729257819 1193909919 /nfs/dbraw/zinc/90/99/19/1193909919.db2.gz RHZSXXUECMKLAB-INIZCTEOSA-N 1 2 390.509 0.599 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](NC(C)=O)c2cccs2)CC1 ZINC000729257819 1193909920 /nfs/dbraw/zinc/90/99/20/1193909920.db2.gz RHZSXXUECMKLAB-INIZCTEOSA-N 1 2 390.509 0.599 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COc3cc(OC)ccc3C2)CC1 ZINC000729281539 1193910537 /nfs/dbraw/zinc/91/05/37/1193910537.db2.gz GMTKXSZWQCWGQL-KRWDZBQOSA-N 1 2 385.464 0.530 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COc3cc(OC)ccc3C2)CC1 ZINC000729281539 1193910539 /nfs/dbraw/zinc/91/05/39/1193910539.db2.gz GMTKXSZWQCWGQL-KRWDZBQOSA-N 1 2 385.464 0.530 20 30 GCEDLO CCC(CC)(NC(=O)C1C[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1)C(N)=O ZINC000513272325 1193931198 /nfs/dbraw/zinc/93/11/98/1193931198.db2.gz QNYGTPNUOPSTSI-AWEZNQCLSA-N 1 2 391.516 0.810 20 30 GCEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366551796 1194209902 /nfs/dbraw/zinc/20/99/02/1194209902.db2.gz AKIDRFRXXYHVPY-GOEBONIOSA-N 1 2 385.472 0.432 20 30 GCEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366551796 1194209905 /nfs/dbraw/zinc/20/99/05/1194209905.db2.gz AKIDRFRXXYHVPY-GOEBONIOSA-N 1 2 385.472 0.432 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367084830 1194366579 /nfs/dbraw/zinc/36/65/79/1194366579.db2.gz NZJUQZBRTNEZSS-RDTXWAMCSA-N 1 2 399.476 0.793 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001269256753 1194445179 /nfs/dbraw/zinc/44/51/79/1194445179.db2.gz HAKGFHSOLAFASE-QSJFSLAZSA-N 1 2 378.473 0.346 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001269256753 1194445182 /nfs/dbraw/zinc/44/51/82/1194445182.db2.gz HAKGFHSOLAFASE-QSJFSLAZSA-N 1 2 378.473 0.346 20 30 GCEDLO C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)COC)CC2)c(OC)c1 ZINC000047997182 1194580104 /nfs/dbraw/zinc/58/01/04/1194580104.db2.gz RWKWQEVGUXBXNK-QGZVFWFLSA-N 1 2 378.469 0.954 20 30 GCEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422484687 1194655033 /nfs/dbraw/zinc/65/50/33/1194655033.db2.gz BAZZJRXPUQUHON-UHFFFAOYSA-N 1 2 379.505 0.445 20 30 GCEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422484687 1194655035 /nfs/dbraw/zinc/65/50/35/1194655035.db2.gz BAZZJRXPUQUHON-UHFFFAOYSA-N 1 2 379.505 0.445 20 30 GCEDLO Cc1cc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc(C)[nH+]1 ZINC000422587278 1194669019 /nfs/dbraw/zinc/66/90/19/1194669019.db2.gz HUSGZGPNICVAKS-UHFFFAOYSA-N 1 2 378.436 0.930 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OCC ZINC000983227564 1194774387 /nfs/dbraw/zinc/77/43/87/1194774387.db2.gz NTVGBDWBEZCFAQ-LVQVYYBASA-N 1 2 376.457 0.523 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OCC ZINC000983227898 1194776938 /nfs/dbraw/zinc/77/69/38/1194776938.db2.gz PISOUHWEURNOHE-OLMMMNRUSA-N 1 2 390.484 0.913 20 30 GCEDLO Cn1c[nH+]c([C@@H]2CN(C(=O)CCS)C[C@H]2C(=O)NCc2ccnn2C)c1 ZINC001269874847 1194875296 /nfs/dbraw/zinc/87/52/96/1194875296.db2.gz HXDMSXBDEDYMKK-ZIAGYGMSSA-N 1 2 376.486 0.332 20 30 GCEDLO Cc1nc(CNC(=O)[C@@H]2CN(C(=O)CCS)C[C@H]2c2cn(C)c[nH+]2)no1 ZINC001269878687 1194877624 /nfs/dbraw/zinc/87/76/24/1194877624.db2.gz BAWNOURAIGEMNQ-VXGBXAGGSA-N 1 2 378.458 0.290 20 30 GCEDLO C[C@H]1CN(C(=O)[C@@H]2CN(C(=O)CCS)C[C@H]2c2cn(C)c[nH+]2)C[C@H](C)O1 ZINC001269883896 1194879476 /nfs/dbraw/zinc/87/94/76/1194879476.db2.gz XFRIIVAGSDPHPQ-BYNSBNAKSA-N 1 2 380.514 0.918 20 30 GCEDLO O=C(CCS)N1CC[N@H+](Cc2cccc(=O)[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001269954220 1194929387 /nfs/dbraw/zinc/92/93/87/1194929387.db2.gz ZOORFXSJRNJZRC-SFHVURJKSA-N 1 2 378.498 0.790 20 30 GCEDLO O=C(CCS)N1CC[N@@H+](Cc2cccc(=O)[nH]2)C[C@@]2(CCCC(=O)N2)C1 ZINC001269954220 1194929390 /nfs/dbraw/zinc/92/93/90/1194929390.db2.gz ZOORFXSJRNJZRC-SFHVURJKSA-N 1 2 378.498 0.790 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435422876 1194930467 /nfs/dbraw/zinc/93/04/67/1194930467.db2.gz QFYGTJFQIGUCMM-UHFFFAOYSA-N 1 2 389.466 0.807 20 30 GCEDLO C[C@@H]1COCCN1CCNc1nc(NCC[N@@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000436404679 1195003155 /nfs/dbraw/zinc/00/31/55/1195003155.db2.gz FVFYJWMGYJOYHX-DLBZAZTESA-N 1 2 388.516 1.218 20 30 GCEDLO C[C@@H]1COCCN1CCNc1nc(NCC[N@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000436404679 1195003159 /nfs/dbraw/zinc/00/31/59/1195003159.db2.gz FVFYJWMGYJOYHX-DLBZAZTESA-N 1 2 388.516 1.218 20 30 GCEDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C#N)c(NCCN2CCOC[C@@H]2C)n1 ZINC000436404690 1195003246 /nfs/dbraw/zinc/00/32/46/1195003246.db2.gz FVFYJWMGYJOYHX-SJORKVTESA-N 1 2 388.516 1.218 20 30 GCEDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C#N)c(NCCN2CCOC[C@@H]2C)n1 ZINC000436404690 1195003248 /nfs/dbraw/zinc/00/32/48/1195003248.db2.gz FVFYJWMGYJOYHX-SJORKVTESA-N 1 2 388.516 1.218 20 30 GCEDLO CC[NH+](CC)CC(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000516993712 1195121834 /nfs/dbraw/zinc/12/18/34/1195121834.db2.gz DNKFWGBSHCDPFH-UHFFFAOYSA-N 1 2 393.513 0.213 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N(CCC#N)CC3CC3)ccn2)CC1 ZINC000439610539 1195336719 /nfs/dbraw/zinc/33/67/19/1195336719.db2.gz MDDSPKXRQLJWIY-UHFFFAOYSA-N 1 2 398.467 0.560 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000729444081 1195419431 /nfs/dbraw/zinc/41/94/31/1195419431.db2.gz GUYCEYBIHYHSKJ-LSDHHAIUSA-N 1 2 379.482 0.437 20 30 GCEDLO Cc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nn1-c1cccc(C#N)c1 ZINC000507092948 1195491267 /nfs/dbraw/zinc/49/12/67/1195491267.db2.gz CWHOZFOVNRIDJS-SFHVURJKSA-N 1 2 383.452 0.818 20 30 GCEDLO CCn1cc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)cn1 ZINC000427468543 1195542004 /nfs/dbraw/zinc/54/20/04/1195542004.db2.gz DTGCDZURJKCIPC-HZPDHXFCSA-N 1 2 380.408 0.955 20 30 GCEDLO CCn1cc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)cn1 ZINC000427468543 1195542007 /nfs/dbraw/zinc/54/20/07/1195542007.db2.gz DTGCDZURJKCIPC-HZPDHXFCSA-N 1 2 380.408 0.955 20 30 GCEDLO CCn1cc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)cn1 ZINC000427468544 1195542026 /nfs/dbraw/zinc/54/20/26/1195542026.db2.gz DTGCDZURJKCIPC-JKSUJKDBSA-N 1 2 380.408 0.955 20 30 GCEDLO CCn1cc(N2C(=O)C[C@@H]([N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)cn1 ZINC000427468544 1195542027 /nfs/dbraw/zinc/54/20/27/1195542027.db2.gz DTGCDZURJKCIPC-JKSUJKDBSA-N 1 2 380.408 0.955 20 30 GCEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCNC1=O ZINC000440958180 1195590735 /nfs/dbraw/zinc/59/07/35/1195590735.db2.gz JMOQUIZISODXLN-GJZGRUSLSA-N 1 2 375.498 0.667 20 30 GCEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCNC1=O ZINC000440958180 1195590737 /nfs/dbraw/zinc/59/07/37/1195590737.db2.gz JMOQUIZISODXLN-GJZGRUSLSA-N 1 2 375.498 0.667 20 30 GCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCO1 ZINC000328751280 1195663596 /nfs/dbraw/zinc/66/35/96/1195663596.db2.gz QXKDOLJXUSCFSN-UHFFFAOYSA-N 1 2 395.548 0.641 20 30 GCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCO1 ZINC000328751280 1195663599 /nfs/dbraw/zinc/66/35/99/1195663599.db2.gz QXKDOLJXUSCFSN-UHFFFAOYSA-N 1 2 395.548 0.641 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CCCO2)CC3)CC1 ZINC000328797520 1195668227 /nfs/dbraw/zinc/66/82/27/1195668227.db2.gz VVZFDWTUAXQIQH-WMLDXEAASA-N 1 2 375.473 0.969 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CCCO2)CC3)CC1 ZINC000328863247 1195672161 /nfs/dbraw/zinc/67/21/61/1195672161.db2.gz VVZFDWTUAXQIQH-PBHICJAKSA-N 1 2 375.473 0.969 20 30 GCEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000328982997 1195684108 /nfs/dbraw/zinc/68/41/08/1195684108.db2.gz YSWLIGACUZTJTD-ULQDDVLXSA-N 1 2 380.489 0.666 20 30 GCEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000328982997 1195684110 /nfs/dbraw/zinc/68/41/10/1195684110.db2.gz YSWLIGACUZTJTD-ULQDDVLXSA-N 1 2 380.489 0.666 20 30 GCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000330519569 1195691764 /nfs/dbraw/zinc/69/17/64/1195691764.db2.gz PSHLQFGVRLCFEJ-HNNXBMFYSA-N 1 2 390.550 0.805 20 30 GCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000330519569 1195691766 /nfs/dbraw/zinc/69/17/66/1195691766.db2.gz PSHLQFGVRLCFEJ-HNNXBMFYSA-N 1 2 390.550 0.805 20 30 GCEDLO C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000331131079 1195722398 /nfs/dbraw/zinc/72/23/98/1195722398.db2.gz QBODFCOCLYXHGL-ZBSNKRKSSA-N 1 2 381.502 0.714 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(OCC(F)F)c2)CC1 ZINC000130301997 1195756678 /nfs/dbraw/zinc/75/66/78/1195756678.db2.gz HIUASUGAFXJVSG-UHFFFAOYSA-N 1 2 380.395 0.623 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(OCC(F)F)c2)CC1 ZINC000130301997 1195756680 /nfs/dbraw/zinc/75/66/80/1195756680.db2.gz HIUASUGAFXJVSG-UHFFFAOYSA-N 1 2 380.395 0.623 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)cc1 ZINC000428063508 1195908957 /nfs/dbraw/zinc/90/89/57/1195908957.db2.gz UFTNWVXREBEXNS-INIZCTEOSA-N 1 2 381.498 0.992 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCO[C@@H](CC)C2)cc1 ZINC000428063508 1195908960 /nfs/dbraw/zinc/90/89/60/1195908960.db2.gz UFTNWVXREBEXNS-INIZCTEOSA-N 1 2 381.498 0.992 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000442048235 1195948966 /nfs/dbraw/zinc/94/89/66/1195948966.db2.gz ORWMJIOYYLTPET-ZDUSSCGKSA-N 1 2 388.424 0.601 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000442048235 1195948968 /nfs/dbraw/zinc/94/89/68/1195948968.db2.gz ORWMJIOYYLTPET-ZDUSSCGKSA-N 1 2 388.424 0.601 20 30 GCEDLO C[C@@H]1CC[S@](=O)CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329066831 1196160802 /nfs/dbraw/zinc/16/08/02/1196160802.db2.gz WSYCITLGGSSMHO-ASHKIFAZSA-N 1 2 393.513 0.858 20 30 GCEDLO C[C@@H]1CC[S@@](=O)CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329066832 1196160877 /nfs/dbraw/zinc/16/08/77/1196160877.db2.gz WSYCITLGGSSMHO-LOKFHWFJSA-N 1 2 393.513 0.858 20 30 GCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)CCO1 ZINC000329113092 1196165957 /nfs/dbraw/zinc/16/59/57/1196165957.db2.gz HHPFYGUOFWLPPJ-IBGZPJMESA-N 1 2 382.505 0.461 20 30 GCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)CCO1 ZINC000329113092 1196165958 /nfs/dbraw/zinc/16/59/58/1196165958.db2.gz HHPFYGUOFWLPPJ-IBGZPJMESA-N 1 2 382.505 0.461 20 30 GCEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329129771 1196166615 /nfs/dbraw/zinc/16/66/15/1196166615.db2.gz WKMHVUQQVSSPOE-FRQCXROJSA-N 1 2 381.473 0.462 20 30 GCEDLO C[C@H]([C@H](C)NC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000329138586 1196167343 /nfs/dbraw/zinc/16/73/43/1196167343.db2.gz SALNCWFNRCWWQJ-FRQCXROJSA-N 1 2 382.505 0.459 20 30 GCEDLO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000329152231 1196169786 /nfs/dbraw/zinc/16/97/86/1196169786.db2.gz SXKSLIXJURRVRP-YOEHRIQHSA-N 1 2 378.521 0.960 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@]3(C)CCS(=O)(=O)C3)ccn2)CC1 ZINC000329267305 1196181277 /nfs/dbraw/zinc/18/12/77/1196181277.db2.gz GBPABXPVIHITES-KRWDZBQOSA-N 1 2 395.485 0.182 20 30 GCEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329271850 1196181949 /nfs/dbraw/zinc/18/19/49/1196181949.db2.gz JLRDAAITHLRSRR-JFIYKMOQSA-N 1 2 385.530 0.988 20 30 GCEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCO[C@]2(CCCOC2)C1 ZINC000329307818 1196184197 /nfs/dbraw/zinc/18/41/97/1196184197.db2.gz YNJBFDCOOGMVNL-QZTJIDSGSA-N 1 2 385.530 0.990 20 30 GCEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C[C@H]21 ZINC000329348868 1196187833 /nfs/dbraw/zinc/18/78/33/1196187833.db2.gz DPCUVVBDMSZAAM-FVQBIDKESA-N 1 2 386.518 0.262 20 30 GCEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C[C@H]21 ZINC000329348868 1196187836 /nfs/dbraw/zinc/18/78/36/1196187836.db2.gz DPCUVVBDMSZAAM-FVQBIDKESA-N 1 2 386.518 0.262 20 30 GCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000329490810 1196200846 /nfs/dbraw/zinc/20/08/46/1196200846.db2.gz SPXFQGLJDGLVBT-QLFBSQMISA-N 1 2 394.438 0.959 20 30 GCEDLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000329540500 1196204682 /nfs/dbraw/zinc/20/46/82/1196204682.db2.gz CZDGCKOKAVYUBW-WCQYABFASA-N 1 2 387.506 0.381 20 30 GCEDLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000329540500 1196204683 /nfs/dbraw/zinc/20/46/83/1196204683.db2.gz CZDGCKOKAVYUBW-WCQYABFASA-N 1 2 387.506 0.381 20 30 GCEDLO Cn1cncc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000329644975 1196215074 /nfs/dbraw/zinc/21/50/74/1196215074.db2.gz AQZZTSAGHJVAAZ-AWEZNQCLSA-N 1 2 385.472 0.571 20 30 GCEDLO C=CCNC(=O)c1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)nc1 ZINC000443876463 1196222102 /nfs/dbraw/zinc/22/21/02/1196222102.db2.gz HHUYEAMEWNMWAR-INIZCTEOSA-N 1 2 387.484 0.367 20 30 GCEDLO C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CS2 ZINC000329726430 1196227342 /nfs/dbraw/zinc/22/73/42/1196227342.db2.gz DUNDEQQJSPZAFN-DEYYWGMASA-N 1 2 396.513 0.330 20 30 GCEDLO O=S(=O)([C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1)N1CCOCC1 ZINC000329748180 1196229310 /nfs/dbraw/zinc/22/93/10/1196229310.db2.gz STYHACJXIDNOHS-UONOGXRCSA-N 1 2 397.501 0.307 20 30 GCEDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000329963709 1196242784 /nfs/dbraw/zinc/24/27/84/1196242784.db2.gz SQXUUUYPJNTSSJ-YOEHRIQHSA-N 1 2 396.513 0.883 20 30 GCEDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000330035368 1196247947 /nfs/dbraw/zinc/24/79/47/1196247947.db2.gz BSVWLXOWSRQARN-AWEZNQCLSA-N 1 2 380.470 0.654 20 30 GCEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1=O ZINC000522985582 1196372457 /nfs/dbraw/zinc/37/24/57/1196372457.db2.gz PWEMNDFXGQIHAV-UHFFFAOYSA-N 1 2 385.424 0.665 20 30 GCEDLO C=CC[N@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)Cc1ccc(OC)cc1 ZINC000054272336 1196436576 /nfs/dbraw/zinc/43/65/76/1196436576.db2.gz JFSSHYVZOJBGJO-UHFFFAOYSA-N 1 2 388.512 0.916 20 30 GCEDLO C=CC[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)Cc1ccc(OC)cc1 ZINC000054272336 1196436577 /nfs/dbraw/zinc/43/65/77/1196436577.db2.gz JFSSHYVZOJBGJO-UHFFFAOYSA-N 1 2 388.512 0.916 20 30 GCEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000467492768 1196525387 /nfs/dbraw/zinc/52/53/87/1196525387.db2.gz DIRLBNDBPZJIRK-LJQANCHMSA-N 1 2 376.457 0.408 20 30 GCEDLO N#Cc1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nc1 ZINC000523651410 1196540293 /nfs/dbraw/zinc/54/02/93/1196540293.db2.gz WGFDIKWYTYTJIT-INIZCTEOSA-N 1 2 393.451 0.979 20 30 GCEDLO N#Cc1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nc1 ZINC000523651410 1196540296 /nfs/dbraw/zinc/54/02/96/1196540296.db2.gz WGFDIKWYTYTJIT-INIZCTEOSA-N 1 2 393.451 0.979 20 30 GCEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000021421384 1196554744 /nfs/dbraw/zinc/55/47/44/1196554744.db2.gz BZVXSPICDVMXMA-UHFFFAOYSA-N 1 2 391.497 0.425 20 30 GCEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1=O ZINC000524474847 1196598416 /nfs/dbraw/zinc/59/84/16/1196598416.db2.gz SRDLTFAWGBUGTB-UHFFFAOYSA-N 1 2 381.392 0.524 20 30 GCEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1=O ZINC000524706118 1196617967 /nfs/dbraw/zinc/61/79/67/1196617967.db2.gz DZUVCYMUGOQDDG-UHFFFAOYSA-N 1 2 395.419 0.567 20 30 GCEDLO C#CCNc1nc(N2CCC3(CCO3)CC2)nc(N2CCC3(CCO3)CC2)[nH+]1 ZINC000367805922 1196793506 /nfs/dbraw/zinc/79/35/06/1196793506.db2.gz DYFXNZLBJQGQJS-UHFFFAOYSA-N 1 2 384.484 0.857 20 30 GCEDLO C#CCNc1nc(N2CCC3(CCO3)CC2)[nH+]c(N2CCC3(CCO3)CC2)n1 ZINC000367805922 1196793508 /nfs/dbraw/zinc/79/35/08/1196793508.db2.gz DYFXNZLBJQGQJS-UHFFFAOYSA-N 1 2 384.484 0.857 20 30 GCEDLO CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000527684372 1196807863 /nfs/dbraw/zinc/80/78/63/1196807863.db2.gz JLFAOLJIMFWKNA-SFHVURJKSA-N 1 2 390.509 0.874 20 30 GCEDLO CCOC(=O)N1CCN(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000023257740 1196837861 /nfs/dbraw/zinc/83/78/61/1196837861.db2.gz NZDQAXIXNKAXNI-UHFFFAOYSA-N 1 2 399.495 0.977 20 30 GCEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528427647 1196858847 /nfs/dbraw/zinc/85/88/47/1196858847.db2.gz WTAKSOVAKHRTEA-HNNXBMFYSA-N 1 2 389.477 0.688 20 30 GCEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528427647 1196858852 /nfs/dbraw/zinc/85/88/52/1196858852.db2.gz WTAKSOVAKHRTEA-HNNXBMFYSA-N 1 2 389.477 0.688 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC2)c1C#N ZINC000530460836 1196989843 /nfs/dbraw/zinc/98/98/43/1196989843.db2.gz NAKGPNNAEDDECM-OAHLLOKOSA-N 1 2 388.520 0.068 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000531699300 1197092926 /nfs/dbraw/zinc/09/29/26/1197092926.db2.gz ZUEJTUSPRJBCSI-KBPBESRZSA-N 1 2 380.470 0.062 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000531699300 1197092930 /nfs/dbraw/zinc/09/29/30/1197092930.db2.gz ZUEJTUSPRJBCSI-KBPBESRZSA-N 1 2 380.470 0.062 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178041116 1197192632 /nfs/dbraw/zinc/19/26/32/1197192632.db2.gz DJQLLHRVEBAFOH-UHFFFAOYSA-N 1 2 376.432 0.914 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178041116 1197192635 /nfs/dbraw/zinc/19/26/35/1197192635.db2.gz DJQLLHRVEBAFOH-UHFFFAOYSA-N 1 2 376.432 0.914 20 30 GCEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000475750854 1197203730 /nfs/dbraw/zinc/20/37/30/1197203730.db2.gz UOSLSOKOZYTCBT-UHFFFAOYSA-N 1 2 376.457 0.833 20 30 GCEDLO C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000064052231 1197241596 /nfs/dbraw/zinc/24/15/96/1197241596.db2.gz NPQGLTHAVAACQO-GOSISDBHSA-N 1 2 387.455 0.968 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000121168932 1197343914 /nfs/dbraw/zinc/34/39/14/1197343914.db2.gz IRFHHUMPPSVTDG-SFHVURJKSA-N 1 2 375.517 0.623 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000121168932 1197343917 /nfs/dbraw/zinc/34/39/17/1197343917.db2.gz IRFHHUMPPSVTDG-SFHVURJKSA-N 1 2 375.517 0.623 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C23CCC(C(=O)OC)(CC2)C3)CC1 ZINC000760274920 1197400781 /nfs/dbraw/zinc/40/07/81/1197400781.db2.gz ARDRYVBXWMDIGC-UHFFFAOYSA-N 1 2 375.469 0.394 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C23CCC(C(=O)OC)(CC2)C3)CC1 ZINC000760274920 1197400784 /nfs/dbraw/zinc/40/07/84/1197400784.db2.gz ARDRYVBXWMDIGC-UHFFFAOYSA-N 1 2 375.469 0.394 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n(CCC#N)n1 ZINC000532993988 1197424759 /nfs/dbraw/zinc/42/47/59/1197424759.db2.gz AXSRSQWSIZGNIM-HOTGVXAUSA-N 1 2 388.472 0.803 20 30 GCEDLO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000533225153 1197439958 /nfs/dbraw/zinc/43/99/58/1197439958.db2.gz MIQVDVGJUPRITQ-INIZCTEOSA-N 1 2 392.481 0.512 20 30 GCEDLO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000533225153 1197439959 /nfs/dbraw/zinc/43/99/59/1197439959.db2.gz MIQVDVGJUPRITQ-INIZCTEOSA-N 1 2 392.481 0.512 20 30 GCEDLO N#Cc1cccc(C2(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c1 ZINC000533401468 1197449195 /nfs/dbraw/zinc/44/91/95/1197449195.db2.gz PRWNUYWZVRDPCZ-SFHVURJKSA-N 1 2 382.464 0.639 20 30 GCEDLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001212425800 1198992799 /nfs/dbraw/zinc/99/27/99/1198992799.db2.gz FIKOOKKGFPZRHD-KONPQCLYSA-N 1 2 380.489 0.379 20 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ZINC001109696647 1202104648 /nfs/dbraw/zinc/10/46/48/1202104648.db2.gz IONVNXQPELVYFR-IKGGRYGDSA-N 1 2 381.436 0.410 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCOC2)c1 ZINC001109697307 1202105212 /nfs/dbraw/zinc/10/52/12/1202105212.db2.gz ZVAADEKOLDCYBN-NQYYFHDYSA-N 1 2 382.464 0.551 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCOC2)c1 ZINC001109697307 1202105217 /nfs/dbraw/zinc/10/52/17/1202105217.db2.gz ZVAADEKOLDCYBN-NQYYFHDYSA-N 1 2 382.464 0.551 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)n1)C2 ZINC001109709297 1202106871 /nfs/dbraw/zinc/10/68/71/1202106871.db2.gz GXTBBAXOIULGIS-PVAVHDDUSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)n1)C2 ZINC001109709297 1202106873 /nfs/dbraw/zinc/10/68/73/1202106873.db2.gz GXTBBAXOIULGIS-PVAVHDDUSA-N 1 2 378.436 0.352 20 30 GCEDLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CCC#N ZINC001109745280 1202117314 /nfs/dbraw/zinc/11/73/14/1202117314.db2.gz HUGURKNJMZNZCX-NCOADZHNSA-N 1 2 377.489 0.385 20 30 GCEDLO CC[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CCC#N ZINC001109745280 1202117317 /nfs/dbraw/zinc/11/73/17/1202117317.db2.gz HUGURKNJMZNZCX-NCOADZHNSA-N 1 2 377.489 0.385 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)N1CCC(C)CC1)C2 ZINC001109808629 1202126656 /nfs/dbraw/zinc/12/66/56/1202126656.db2.gz PYISXAPLWLHDKC-NCOADZHNSA-N 1 2 376.501 0.657 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)N1CCC(C)CC1)C2 ZINC001109808629 1202126658 /nfs/dbraw/zinc/12/66/58/1202126658.db2.gz PYISXAPLWLHDKC-NCOADZHNSA-N 1 2 376.501 0.657 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000771185606 1202129313 /nfs/dbraw/zinc/12/93/13/1202129313.db2.gz MBXPHSSQRNKCKD-CQSZACIVSA-N 1 2 395.481 0.769 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCOCC ZINC001109826825 1202130105 /nfs/dbraw/zinc/13/01/05/1202130105.db2.gz ZUVTYYGAWMPFAQ-QSUVVDIXSA-N 1 2 379.501 0.842 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCOCC ZINC001109826825 1202130107 /nfs/dbraw/zinc/13/01/07/1202130107.db2.gz ZUVTYYGAWMPFAQ-QSUVVDIXSA-N 1 2 379.501 0.842 20 30 GCEDLO Cc1cccn2cc(CC(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@@H+]4CC(=O)NCC#N)nc12 ZINC001109840700 1202131548 /nfs/dbraw/zinc/13/15/48/1202131548.db2.gz URNJLEOZMBOUQR-IKGGRYGDSA-N 1 2 380.452 0.547 20 30 GCEDLO Cc1cccn2cc(CC(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@H+]4CC(=O)NCC#N)nc12 ZINC001109840700 1202131549 /nfs/dbraw/zinc/13/15/49/1202131549.db2.gz URNJLEOZMBOUQR-IKGGRYGDSA-N 1 2 380.452 0.547 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(N)=O)s1)C2 ZINC001109835606 1202132564 /nfs/dbraw/zinc/13/25/64/1202132564.db2.gz RAKDHSQLQBRZQF-NDBYEHHHSA-N 1 2 376.482 0.873 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(N)=O)s1)C2 ZINC001109835606 1202132566 /nfs/dbraw/zinc/13/25/66/1202132566.db2.gz RAKDHSQLQBRZQF-NDBYEHHHSA-N 1 2 376.482 0.873 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3cc[nH]cc-3n1)C2 ZINC001109941240 1202155351 /nfs/dbraw/zinc/15/53/51/1202155351.db2.gz QCQIYEMWNXLFAB-KMFMINBZSA-N 1 2 380.452 0.361 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3cc[nH]cc-3n1)C2 ZINC001109941240 1202155353 /nfs/dbraw/zinc/15/53/53/1202155353.db2.gz QCQIYEMWNXLFAB-KMFMINBZSA-N 1 2 380.452 0.361 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cccc3)ccn1)C2 ZINC001109938226 1202156256 /nfs/dbraw/zinc/15/62/56/1202156256.db2.gz UKMBPGTZRDQZDP-AOIWGVFYSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cccc3)ccn1)C2 ZINC001109938226 1202156257 /nfs/dbraw/zinc/15/62/57/1202156257.db2.gz UKMBPGTZRDQZDP-AOIWGVFYSA-N 1 2 377.448 0.957 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C2 ZINC001109966503 1202163983 /nfs/dbraw/zinc/16/39/83/1202163983.db2.gz TZNJOHLXCTVEOA-WCVJEAGWSA-N 1 2 378.517 0.951 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C2 ZINC001109966503 1202163984 /nfs/dbraw/zinc/16/39/84/1202163984.db2.gz TZNJOHLXCTVEOA-WCVJEAGWSA-N 1 2 378.517 0.951 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnn3)cc1)C2 ZINC001109968084 1202164857 /nfs/dbraw/zinc/16/48/57/1202164857.db2.gz ZBTLVQDEGNQKFB-SQNIBIBYSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnn3)cc1)C2 ZINC001109968084 1202164859 /nfs/dbraw/zinc/16/48/59/1202164859.db2.gz ZBTLVQDEGNQKFB-SQNIBIBYSA-N 1 2 380.452 0.905 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1C(N)=O)C2 ZINC001109981428 1202166429 /nfs/dbraw/zinc/16/64/29/1202166429.db2.gz SHGIADVBYAPTBC-NJAFHUGGSA-N 1 2 382.464 0.189 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1C(N)=O)C2 ZINC001109981428 1202166432 /nfs/dbraw/zinc/16/64/32/1202166432.db2.gz SHGIADVBYAPTBC-NJAFHUGGSA-N 1 2 382.464 0.189 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCCO2)nc1 ZINC001109998081 1202171054 /nfs/dbraw/zinc/17/10/54/1202171054.db2.gz LSYHYGYUZPRXER-NEPXVJNWSA-N 1 2 382.464 0.693 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCCO2)nc1 ZINC001109998081 1202171055 /nfs/dbraw/zinc/17/10/55/1202171055.db2.gz LSYHYGYUZPRXER-NEPXVJNWSA-N 1 2 382.464 0.693 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCCO2)cn1 ZINC001109999591 1202171169 /nfs/dbraw/zinc/17/11/69/1202171169.db2.gz LXIXRJBLKAYIKQ-XWSJACJDSA-N 1 2 382.464 0.693 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCCO2)cn1 ZINC001109999591 1202171171 /nfs/dbraw/zinc/17/11/71/1202171171.db2.gz LXIXRJBLKAYIKQ-XWSJACJDSA-N 1 2 382.464 0.693 20 30 GCEDLO CCOC(=O)CON=C(C(=O)NCC[NH+]1Cc2ccccc2C1)c1cc[nH]n1 ZINC000772146570 1202175775 /nfs/dbraw/zinc/17/57/75/1202175775.db2.gz SZAOCXXNWJJNPH-UHFFFAOYSA-N 1 2 385.424 0.826 20 30 GCEDLO N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000787753350 1205399810 /nfs/dbraw/zinc/39/98/10/1205399810.db2.gz GRPIQVVOOSYMDX-UHFFFAOYSA-N 1 2 389.419 0.983 20 30 GCEDLO C[N@@H+]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)[C@H](c2ccccc2)C1 ZINC000787753627 1205400215 /nfs/dbraw/zinc/40/02/15/1205400215.db2.gz IPZLNYCKWDNLTH-SFHVURJKSA-N 1 2 392.463 0.997 20 30 GCEDLO C[N@H+]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)[C@H](c2ccccc2)C1 ZINC000787753627 1205400218 /nfs/dbraw/zinc/40/02/18/1205400218.db2.gz IPZLNYCKWDNLTH-SFHVURJKSA-N 1 2 392.463 0.997 20 30 GCEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000787774345 1205402121 /nfs/dbraw/zinc/40/21/21/1205402121.db2.gz HBBWREFLGVACCT-UHFFFAOYSA-N 1 2 388.472 0.051 20 30 GCEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000787774345 1205402122 /nfs/dbraw/zinc/40/21/22/1205402122.db2.gz HBBWREFLGVACCT-UHFFFAOYSA-N 1 2 388.472 0.051 20 30 GCEDLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 ZINC000787787913 1205403380 /nfs/dbraw/zinc/40/33/80/1205403380.db2.gz RFTCALXFGIASNO-UHFFFAOYSA-N 1 2 388.472 0.051 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000788009690 1205411478 /nfs/dbraw/zinc/41/14/78/1205411478.db2.gz DLQCMGKNZSVUCB-RBUKOAKNSA-N 1 2 384.480 0.222 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000788375808 1205420991 /nfs/dbraw/zinc/42/09/91/1205420991.db2.gz CFTNCPZEWNSFQK-INIZCTEOSA-N 1 2 385.468 0.932 20 30 GCEDLO N#Cc1ccc(CN2C(=O)CN(C[N@H+]3CC[C@@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000790454855 1205465170 /nfs/dbraw/zinc/46/51/70/1205465170.db2.gz UXVFPAQXAOSULX-QGZVFWFLSA-N 1 2 381.436 0.977 20 30 GCEDLO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CC[C@@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000790454855 1205465173 /nfs/dbraw/zinc/46/51/73/1205465173.db2.gz UXVFPAQXAOSULX-QGZVFWFLSA-N 1 2 381.436 0.977 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)CC1 ZINC000792143790 1205484198 /nfs/dbraw/zinc/48/41/98/1205484198.db2.gz QGSDLJQAXWSJRT-IBGZPJMESA-N 1 2 398.463 0.472 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)CC1 ZINC000792143790 1205484199 /nfs/dbraw/zinc/48/41/99/1205484199.db2.gz QGSDLJQAXWSJRT-IBGZPJMESA-N 1 2 398.463 0.472 20 30 GCEDLO C#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000792305692 1205486097 /nfs/dbraw/zinc/48/60/97/1205486097.db2.gz NFANTAXRUNOIIQ-UHFFFAOYSA-N 1 2 395.481 0.102 20 30 GCEDLO C#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000792305692 1205486098 /nfs/dbraw/zinc/48/60/98/1205486098.db2.gz NFANTAXRUNOIIQ-UHFFFAOYSA-N 1 2 395.481 0.102 20 30 GCEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2OCC[C@H]2C(C)C)n[nH]1 ZINC001130212774 1205536704 /nfs/dbraw/zinc/53/67/04/1205536704.db2.gz CMDKBXAPXVHBRY-JKQORVJESA-N 1 2 375.473 0.577 20 30 GCEDLO C#Cc1cncc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000806455183 1205557454 /nfs/dbraw/zinc/55/74/54/1205557454.db2.gz UNKHNKWOMWPZEC-UHFFFAOYSA-N 1 2 399.476 0.340 20 30 GCEDLO Cc1cccn2cc(CCNC(=O)C(=O)NCCNc3ncccc3C#N)[nH+]c12 ZINC000806536874 1205559476 /nfs/dbraw/zinc/55/94/76/1205559476.db2.gz PKFOHYBDAGQUJO-UHFFFAOYSA-N 1 2 391.435 0.796 20 30 GCEDLO N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000807695193 1205588582 /nfs/dbraw/zinc/58/85/82/1205588582.db2.gz RQUQWZSYRMXDDX-HNNXBMFYSA-N 1 2 379.424 0.271 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1C#N ZINC000809503363 1205626373 /nfs/dbraw/zinc/62/63/73/1205626373.db2.gz AGUOCYTWOIKZAY-UHFFFAOYSA-N 1 2 388.468 0.752 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1C#N ZINC000809503363 1205626375 /nfs/dbraw/zinc/62/63/75/1205626375.db2.gz AGUOCYTWOIKZAY-UHFFFAOYSA-N 1 2 388.468 0.752 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1C#N ZINC000809504310 1205626402 /nfs/dbraw/zinc/62/64/02/1205626402.db2.gz SQHHWGIJLRLXAB-UHFFFAOYSA-N 1 2 394.435 0.630 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000810352375 1205636196 /nfs/dbraw/zinc/63/61/96/1205636196.db2.gz OXTISVXJMAMHBW-KRWDZBQOSA-N 1 2 386.471 0.936 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCN(c3ccccc3F)C2)CC1 ZINC000810352375 1205636197 /nfs/dbraw/zinc/63/61/97/1205636197.db2.gz OXTISVXJMAMHBW-KRWDZBQOSA-N 1 2 386.471 0.936 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3n[nH]c(C)c3c1)C2 ZINC001110103288 1205661302 /nfs/dbraw/zinc/66/13/02/1205661302.db2.gz MTZRARJLOTYHHS-IRWJRLHMSA-N 1 2 380.452 0.739 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3n[nH]c(C)c3c1)C2 ZINC001110103288 1205661304 /nfs/dbraw/zinc/66/13/04/1205661304.db2.gz MTZRARJLOTYHHS-IRWJRLHMSA-N 1 2 380.452 0.739 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000812830969 1205669424 /nfs/dbraw/zinc/66/94/24/1205669424.db2.gz GDHDMTFNNUKNDT-OAHLLOKOSA-N 1 2 391.415 0.824 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C1 ZINC000813837363 1205680975 /nfs/dbraw/zinc/68/09/75/1205680975.db2.gz JVXUPWBSAKVUBI-AWEZNQCLSA-N 1 2 389.460 0.303 20 30 GCEDLO C=C[C@H](O)C(=O)OCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000814546599 1205693313 /nfs/dbraw/zinc/69/33/13/1205693313.db2.gz GTALLUIMONDLFH-INIZCTEOSA-N 1 2 392.452 0.747 20 30 GCEDLO CCOCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CCC#N ZINC001110163252 1205708066 /nfs/dbraw/zinc/70/80/66/1205708066.db2.gz VZUTUMXDIFPOAM-IKGGRYGDSA-N 1 2 380.489 0.523 20 30 GCEDLO CCOCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CCC#N ZINC001110163252 1205708067 /nfs/dbraw/zinc/70/80/67/1205708067.db2.gz VZUTUMXDIFPOAM-IKGGRYGDSA-N 1 2 380.489 0.523 20 30 GCEDLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC2)c1 ZINC001171642580 1205709126 /nfs/dbraw/zinc/70/91/26/1205709126.db2.gz YRHOMJFGOVPPNH-AWEZNQCLSA-N 1 2 392.481 0.614 20 30 GCEDLO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)CC#N)CC2)c1 ZINC001171642583 1205709144 /nfs/dbraw/zinc/70/91/44/1205709144.db2.gz YRHOMJFGOVPPNH-CQSZACIVSA-N 1 2 392.481 0.614 20 30 GCEDLO N#Cc1cc(CC(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)ccn1 ZINC001177666922 1205773695 /nfs/dbraw/zinc/77/36/95/1205773695.db2.gz IDXDGDYTAQSWSI-UHFFFAOYSA-N 1 2 389.419 0.730 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302402 1205870692 /nfs/dbraw/zinc/87/06/92/1205870692.db2.gz BWUXQVOHAMNAIX-SYQHCUMBSA-N 1 2 379.486 0.365 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302402 1205870694 /nfs/dbraw/zinc/87/06/94/1205870694.db2.gz BWUXQVOHAMNAIX-SYQHCUMBSA-N 1 2 379.486 0.365 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CC1)C2 ZINC001110312219 1205873893 /nfs/dbraw/zinc/87/38/93/1205873893.db2.gz KFVDMHWYTSVFAE-XZDPQHSOSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CC1)C2 ZINC001110312219 1205873895 /nfs/dbraw/zinc/87/38/95/1205873895.db2.gz KFVDMHWYTSVFAE-XZDPQHSOSA-N 1 2 378.473 0.535 20 30 GCEDLO CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC001182976146 1205885204 /nfs/dbraw/zinc/88/52/04/1205885204.db2.gz FWOZNCMLEWOYSV-IKGGRYGDSA-N 1 2 396.532 0.221 20 30 GCEDLO C[N@H+](CC(=O)n1nc(N)c(C#N)c1N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183805828 1205900953 /nfs/dbraw/zinc/90/09/53/1205900953.db2.gz VIVKMEHGOSEWRK-LLVKDONJSA-N 1 2 377.449 0.891 20 30 GCEDLO C[N@@H+](CC(=O)n1nc(N)c(C#N)c1N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183805828 1205900954 /nfs/dbraw/zinc/90/09/54/1205900954.db2.gz VIVKMEHGOSEWRK-LLVKDONJSA-N 1 2 377.449 0.891 20 30 GCEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCOC1)C2)NCC#Cc1ccccc1 ZINC001110357016 1205916400 /nfs/dbraw/zinc/91/64/00/1205916400.db2.gz BKHXEBDMWDFIPH-NMLBUPMWSA-N 1 2 381.476 0.912 20 30 GCEDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCOC1)C2)NCC#Cc1ccccc1 ZINC001110357016 1205916402 /nfs/dbraw/zinc/91/64/02/1205916402.db2.gz BKHXEBDMWDFIPH-NMLBUPMWSA-N 1 2 381.476 0.912 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC=C ZINC001110365998 1205926613 /nfs/dbraw/zinc/92/66/13/1205926613.db2.gz GHUTZDOQYRXIEL-JJXSEGSLSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC=C ZINC001110365998 1205926615 /nfs/dbraw/zinc/92/66/15/1205926615.db2.gz GHUTZDOQYRXIEL-JJXSEGSLSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001110365972 1205926630 /nfs/dbraw/zinc/92/66/30/1205926630.db2.gz FZHGILFJAGOMPJ-HPBDAGMYSA-N 1 2 379.501 0.984 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001110365972 1205926632 /nfs/dbraw/zinc/92/66/32/1205926632.db2.gz FZHGILFJAGOMPJ-HPBDAGMYSA-N 1 2 379.501 0.984 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCC ZINC001110366270 1205926875 /nfs/dbraw/zinc/92/68/75/1205926875.db2.gz NSZSSCDBJDKOOB-JJXSEGSLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCC ZINC001110366270 1205926877 /nfs/dbraw/zinc/92/68/77/1205926877.db2.gz NSZSSCDBJDKOOB-JJXSEGSLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1cnn(C)c1 ZINC001110390157 1205956098 /nfs/dbraw/zinc/95/60/98/1205956098.db2.gz AJFSTBAPBQJEDD-ZACQAIPSSA-N 1 2 375.473 0.303 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1cnn(C)c1 ZINC001110390157 1205956100 /nfs/dbraw/zinc/95/61/00/1205956100.db2.gz AJFSTBAPBQJEDD-ZACQAIPSSA-N 1 2 375.473 0.303 20 30 GCEDLO C=CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001187532978 1205964970 /nfs/dbraw/zinc/96/49/70/1205964970.db2.gz YHQPTWRWBWCWOO-ROUUACIJSA-N 1 2 384.480 0.323 20 30 GCEDLO C#Cc1ccc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1 ZINC001188722800 1205990650 /nfs/dbraw/zinc/99/06/50/1205990650.db2.gz RUFPNMJLBQSAHB-UHFFFAOYSA-N 1 2 391.475 0.988 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCCC)C2 ZINC001110412635 1206013347 /nfs/dbraw/zinc/01/33/47/1206013347.db2.gz VUUFOSKDEXTUNC-JJXSEGSLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCCC)C2 ZINC001110412635 1206013352 /nfs/dbraw/zinc/01/33/52/1206013352.db2.gz VUUFOSKDEXTUNC-JJXSEGSLSA-N 1 2 380.489 0.925 20 30 GCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2cccnc2)c1 ZINC001110421841 1206025536 /nfs/dbraw/zinc/02/55/36/1206025536.db2.gz OJXTYWNEPCJJFW-NUJGCVRESA-N 1 2 378.436 0.933 20 30 GCEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2cccnc2)c1 ZINC001110421841 1206025540 /nfs/dbraw/zinc/02/55/40/1206025540.db2.gz OJXTYWNEPCJJFW-NUJGCVRESA-N 1 2 378.436 0.933 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110425352 1206032187 /nfs/dbraw/zinc/03/21/87/1206032187.db2.gz OIUUNOYPROTUJP-TVFCKZIOSA-N 1 2 379.501 0.843 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@H]1CCOC1 ZINC001110425352 1206032189 /nfs/dbraw/zinc/03/21/89/1206032189.db2.gz OIUUNOYPROTUJP-TVFCKZIOSA-N 1 2 379.501 0.843 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cnc3C#N)CC2)C1=O ZINC001164636879 719270060 /nfs/dbraw/zinc/27/00/60/719270060.db2.gz YLNRDGGRRDCDCS-UHFFFAOYSA-N 1 2 378.864 0.761 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cnc3C#N)CC2)C1=O ZINC001164636879 719270063 /nfs/dbraw/zinc/27/00/63/719270063.db2.gz YLNRDGGRRDCDCS-UHFFFAOYSA-N 1 2 378.864 0.761 20 30 GCEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(C#N)c1F)CC2 ZINC001164709602 719908030 /nfs/dbraw/zinc/90/80/30/719908030.db2.gz YYOBCPAOZWYQFX-UHFFFAOYSA-N 1 2 383.431 0.776 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)nc3C#N)C2)C1 ZINC001164717273 720224384 /nfs/dbraw/zinc/22/43/84/720224384.db2.gz HULDMMHWMABCFX-QGZVFWFLSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)nc3C#N)C2)C1 ZINC001164717273 720224391 /nfs/dbraw/zinc/22/43/91/720224391.db2.gz HULDMMHWMABCFX-QGZVFWFLSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(OC)c(C#N)cc3F)C2)C1 ZINC001164723327 720281297 /nfs/dbraw/zinc/28/12/97/720281297.db2.gz WYJXKNJBYQYZMA-IBGZPJMESA-N 1 2 391.447 0.766 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(OC)c(C#N)cc3F)C2)C1 ZINC001164723327 720281308 /nfs/dbraw/zinc/28/13/08/720281308.db2.gz WYJXKNJBYQYZMA-IBGZPJMESA-N 1 2 391.447 0.766 20 30 GCEDLO C#CCCCC(=O)N(C)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001573285017 946766080 /nfs/dbraw/zinc/76/60/80/946766080.db2.gz PZYSZKXEPMYIOP-UHFFFAOYSA-N 1 2 382.472 0.646 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001573285088 946767754 /nfs/dbraw/zinc/76/77/54/946767754.db2.gz CRZLPOMJJNZUGA-HIFRSBDPSA-N 1 2 381.444 0.061 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001573285088 946767762 /nfs/dbraw/zinc/76/77/62/946767762.db2.gz CRZLPOMJJNZUGA-HIFRSBDPSA-N 1 2 381.444 0.061 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001573286173 946796539 /nfs/dbraw/zinc/79/65/39/946796539.db2.gz VORCWHCDIBYGTG-WFASDCNBSA-N 1 2 383.460 0.369 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001573286173 946796545 /nfs/dbraw/zinc/79/65/45/946796545.db2.gz VORCWHCDIBYGTG-WFASDCNBSA-N 1 2 383.460 0.369 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001573570324 947085485 /nfs/dbraw/zinc/08/54/85/947085485.db2.gz MRBJVRQTSSHPFU-ZFWWWQNUSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001573570322 947085631 /nfs/dbraw/zinc/08/56/31/947085631.db2.gz MRBJVRQTSSHPFU-UKRRQHHQSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC2(C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)O1 ZINC001573577885 947175550 /nfs/dbraw/zinc/17/55/50/947175550.db2.gz UUIKXTWSTKZPRY-XJKSGUPXSA-N 1 2 381.440 0.876 20 30 GCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)O1 ZINC001573577882 947176909 /nfs/dbraw/zinc/17/69/09/947176909.db2.gz UUIKXTWSTKZPRY-BBRMVZONSA-N 1 2 381.440 0.876 20 30 GCEDLO C[C@@H](C#N)C(=O)NCCN1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573584270 947215850 /nfs/dbraw/zinc/21/58/50/947215850.db2.gz SHISINLDCBQIKM-ZDUSSCGKSA-N 1 2 386.435 0.399 20 30 GCEDLO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)nn1 ZINC001573585086 947242708 /nfs/dbraw/zinc/24/27/08/947242708.db2.gz KFUUTTABQHGUEF-GFCCVEGCSA-N 1 2 392.427 0.291 20 30 GCEDLO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001573585718 947264621 /nfs/dbraw/zinc/26/46/21/947264621.db2.gz VPQRIEJLPVSEPQ-LBPRGKRZSA-N 1 2 392.427 0.291 20 30 GCEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)CC1 ZINC001573329722 947425429 /nfs/dbraw/zinc/42/54/29/947425429.db2.gz NTYLULKNSISJJO-AWEZNQCLSA-N 1 2 383.460 0.346 20 30 GCEDLO C=CCCCC(=O)NCC[NH+]1CCN(c2nc(C)cc(-c3nn[nH]n3)n2)CC1 ZINC001573335772 947488455 /nfs/dbraw/zinc/48/84/55/947488455.db2.gz UOKMSROZEGARGK-UHFFFAOYSA-N 1 2 385.476 0.560 20 30 GCEDLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)o1 ZINC000286497760 530166945 /nfs/dbraw/zinc/16/69/45/530166945.db2.gz DEHNPWGIXSIXKP-ZDUSSCGKSA-N 1 2 389.499 0.671 20 30 GCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000299258161 530177505 /nfs/dbraw/zinc/17/75/05/530177505.db2.gz WKXIRYRSGTYUFH-UHFFFAOYSA-N 1 2 385.511 0.267 20 30 GCEDLO N#C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000409556850 530229951 /nfs/dbraw/zinc/22/99/51/530229951.db2.gz ZONHRWSPWPZPCR-MRXNPFEDSA-N 1 2 384.889 0.927 20 30 GCEDLO C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000564471703 530239078 /nfs/dbraw/zinc/23/90/78/530239078.db2.gz ZGVVXBGJPFGQPQ-ZDUSSCGKSA-N 1 2 386.499 0.155 20 30 GCEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000329371507 530285935 /nfs/dbraw/zinc/28/59/35/530285935.db2.gz MGEJUTFMUFXRBJ-JTQLQIEISA-N 1 2 380.923 0.882 20 30 GCEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000329371507 530285938 /nfs/dbraw/zinc/28/59/38/530285938.db2.gz MGEJUTFMUFXRBJ-JTQLQIEISA-N 1 2 380.923 0.882 20 30 GCEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1Cl ZINC000263752550 530255989 /nfs/dbraw/zinc/25/59/89/530255989.db2.gz ITGMTNAALYLEPY-LLVKDONJSA-N 1 2 385.877 0.655 20 30 GCEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1Cl ZINC000263752550 530255990 /nfs/dbraw/zinc/25/59/90/530255990.db2.gz ITGMTNAALYLEPY-LLVKDONJSA-N 1 2 385.877 0.655 20 30 GCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173361833 530352655 /nfs/dbraw/zinc/35/26/55/530352655.db2.gz NSASPGDJDKAGCW-UHFFFAOYSA-N 1 2 383.246 0.825 20 30 GCEDLO C=CCCSCCNC(=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000597218850 530456829 /nfs/dbraw/zinc/45/68/29/530456829.db2.gz ZAMGXHUESWOEEP-KRWDZBQOSA-N 1 2 387.571 0.736 20 30 GCEDLO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1c(F)cccc1F ZINC000330381983 530519416 /nfs/dbraw/zinc/51/94/16/530519416.db2.gz ITMJZBIJLXBLGJ-ZWNOBZJWSA-N 1 2 376.429 0.844 20 30 GCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCO1 ZINC000330452615 530519954 /nfs/dbraw/zinc/51/99/54/530519954.db2.gz UYNMTYVJNCPYKZ-AWEZNQCLSA-N 1 2 376.523 0.272 20 30 GCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCO1 ZINC000330452615 530519955 /nfs/dbraw/zinc/51/99/55/530519955.db2.gz UYNMTYVJNCPYKZ-AWEZNQCLSA-N 1 2 376.523 0.272 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CCc2scnc2C)CC1 ZINC000295731749 530568429 /nfs/dbraw/zinc/56/84/29/530568429.db2.gz VZTWZUWFOPBQKB-UHFFFAOYSA-N 1 2 384.527 0.081 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCc2scnc2C)CC1 ZINC000295731749 530568431 /nfs/dbraw/zinc/56/84/31/530568431.db2.gz VZTWZUWFOPBQKB-UHFFFAOYSA-N 1 2 384.527 0.081 20 30 GCEDLO C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)c2[nH+]ccn21 ZINC000580570541 530615523 /nfs/dbraw/zinc/61/55/23/530615523.db2.gz BYTNYYSOHYQEHC-VXGBXAGGSA-N 1 2 389.503 0.420 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C[C@H](C)[N@H+]1C ZINC000349481916 530650998 /nfs/dbraw/zinc/65/09/98/530650998.db2.gz PFHXSRXRNGNBFT-BETUJISGSA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C[C@H](C)[N@@H+]1C ZINC000349481916 530651002 /nfs/dbraw/zinc/65/10/02/530651002.db2.gz PFHXSRXRNGNBFT-BETUJISGSA-N 1 2 386.499 0.202 20 30 GCEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000267866096 530661198 /nfs/dbraw/zinc/66/11/98/530661198.db2.gz IWICFLLVNGDYCA-ZDUSSCGKSA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000267866096 530661200 /nfs/dbraw/zinc/66/12/00/530661200.db2.gz IWICFLLVNGDYCA-ZDUSSCGKSA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416385395 530846768 /nfs/dbraw/zinc/84/67/68/530846768.db2.gz GKMKFSXHYNHQOS-ZDUSSCGKSA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416385395 530846772 /nfs/dbraw/zinc/84/67/72/530846772.db2.gz GKMKFSXHYNHQOS-ZDUSSCGKSA-N 1 2 387.303 0.845 20 30 GCEDLO CN(C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000113943831 530866360 /nfs/dbraw/zinc/86/63/60/530866360.db2.gz CCMUMDWRHGWPJT-UHFFFAOYSA-N 1 2 384.889 0.996 20 30 GCEDLO CN(C)C(=O)C[N@H+]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000113943831 530866362 /nfs/dbraw/zinc/86/63/62/530866362.db2.gz CCMUMDWRHGWPJT-UHFFFAOYSA-N 1 2 384.889 0.996 20 30 GCEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC1 ZINC000349446773 530873401 /nfs/dbraw/zinc/87/34/01/530873401.db2.gz AMMMGKNBVFNCQX-UHFFFAOYSA-N 1 2 386.499 0.203 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H](C)[N@H+]1C ZINC000349496128 530881645 /nfs/dbraw/zinc/88/16/45/530881645.db2.gz AALBWVABAHKAKV-OKILXGFUSA-N 1 2 394.563 0.294 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H](C)[N@@H+]1C ZINC000349496128 530881647 /nfs/dbraw/zinc/88/16/47/530881647.db2.gz AALBWVABAHKAKV-OKILXGFUSA-N 1 2 394.563 0.294 20 30 GCEDLO N#Cc1cccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)c1Br ZINC000448953014 530912871 /nfs/dbraw/zinc/91/28/71/530912871.db2.gz GTBFLWBZEBOHNP-UHFFFAOYSA-N 1 2 395.257 0.499 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735432146 598252647 /nfs/dbraw/zinc/25/26/47/598252647.db2.gz MZOQINGTAUUUHH-CYBMUJFWSA-N 1 2 384.444 0.389 20 30 GCEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(-c3nn[nH]n3)c3ccccc3n2)CC1 ZINC000735431672 599399073 /nfs/dbraw/zinc/39/90/73/599399073.db2.gz ICKALKQQIMMCSB-UHFFFAOYSA-N 1 2 378.440 0.839 20 30 GCEDLO Cn1cc(C#N)c(NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822664826 606169250 /nfs/dbraw/zinc/16/92/50/606169250.db2.gz BJGITIQUQUHRKC-UHFFFAOYSA-N 1 2 392.427 0.822 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000819722355 606776883 /nfs/dbraw/zinc/77/68/83/606776883.db2.gz HKRPQXBUVVIJNP-CQSZACIVSA-N 1 2 385.476 0.592 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000819722355 606776884 /nfs/dbraw/zinc/77/68/84/606776884.db2.gz HKRPQXBUVVIJNP-CQSZACIVSA-N 1 2 385.476 0.592 20 30 GCEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000820788364 606910734 /nfs/dbraw/zinc/91/07/34/606910734.db2.gz FEGAXYPRQVZRMC-XJKSGUPXSA-N 1 2 391.439 0.772 20 30 GCEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000820788364 606910735 /nfs/dbraw/zinc/91/07/35/606910735.db2.gz FEGAXYPRQVZRMC-XJKSGUPXSA-N 1 2 391.439 0.772 20 30 GCEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)CC1 ZINC000823919981 607920524 /nfs/dbraw/zinc/92/05/24/607920524.db2.gz VOEHSPIXMHTTDT-UHFFFAOYSA-N 1 2 399.455 0.073 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823849962 608040840 /nfs/dbraw/zinc/04/08/40/608040840.db2.gz FBJZMMIWZNFWKL-ZDUSSCGKSA-N 1 2 375.458 0.013 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000823851099 608190998 /nfs/dbraw/zinc/19/09/98/608190998.db2.gz ZJOPEVOKPHSOQW-INIZCTEOSA-N 1 2 376.424 0.971 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000823851099 608191000 /nfs/dbraw/zinc/19/10/00/608191000.db2.gz ZJOPEVOKPHSOQW-INIZCTEOSA-N 1 2 376.424 0.971 20 30 GCEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906937507 639343820 /nfs/dbraw/zinc/34/38/20/639343820.db2.gz KAPSIAWOVOHVMS-GFCCVEGCSA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000906937507 639343828 /nfs/dbraw/zinc/34/38/28/639343828.db2.gz KAPSIAWOVOHVMS-GFCCVEGCSA-N 1 2 387.303 0.845 20 30 GCEDLO N#CCN1CCC(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000585776208 1192410224 /nfs/dbraw/zinc/41/02/24/1192410224.db2.gz QJYZLIIEHXBAHN-UHFFFAOYSA-N 1 2 375.498 0.327 20 30 GCEDLO N#CCN1CCC(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000585776208 1192410227 /nfs/dbraw/zinc/41/02/27/1192410227.db2.gz QJYZLIIEHXBAHN-UHFFFAOYSA-N 1 2 375.498 0.327 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000279184213 1192481544 /nfs/dbraw/zinc/48/15/44/1192481544.db2.gz IDQZALHVFPAIDM-IBGZPJMESA-N 1 2 385.464 0.752 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000279184213 1192481547 /nfs/dbraw/zinc/48/15/47/1192481547.db2.gz IDQZALHVFPAIDM-IBGZPJMESA-N 1 2 385.464 0.752 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000279287331 1192500844 /nfs/dbraw/zinc/50/08/44/1192500844.db2.gz LECVDNHTGAUMBV-HUUCEWRRSA-N 1 2 394.497 0.404 20 30 GCEDLO Cc1onc(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1C#N ZINC000500596863 1192664465 /nfs/dbraw/zinc/66/44/65/1192664465.db2.gz FMWWVBSAVPYSRD-UHFFFAOYSA-N 1 2 397.439 0.373 20 30 GCEDLO Cc1onc(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1C#N ZINC000500596863 1192664468 /nfs/dbraw/zinc/66/44/68/1192664468.db2.gz FMWWVBSAVPYSRD-UHFFFAOYSA-N 1 2 397.439 0.373 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000784905145 1184129109 /nfs/dbraw/zinc/12/91/09/1184129109.db2.gz BSMMQWVWRSFXCG-KBPBESRZSA-N 1 2 381.454 0.489 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784914627 1184152217 /nfs/dbraw/zinc/15/22/17/1184152217.db2.gz PGYCLTBBAIZPAS-UONOGXRCSA-N 1 2 381.454 0.489 20 30 GCEDLO C#CCOc1ccccc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000091811772 1184492932 /nfs/dbraw/zinc/49/29/32/1184492932.db2.gz PAEQYVAGIJKQCC-UHFFFAOYSA-N 1 2 392.525 0.308 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000328644119 1184579423 /nfs/dbraw/zinc/57/94/23/1184579423.db2.gz FSOKHUILNJWOKB-MSOLQXFVSA-N 1 2 395.548 0.640 20 30 GCEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000784971106 1184783674 /nfs/dbraw/zinc/78/36/74/1184783674.db2.gz KVVDSYGUAHUGES-HUUCEWRRSA-N 1 2 390.440 0.067 20 30 GCEDLO N#CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCSCC1 ZINC000533745945 1184904000 /nfs/dbraw/zinc/90/40/00/1184904000.db2.gz OEHKUJJSLLFTDP-OAHLLOKOSA-N 1 2 380.514 0.605 20 30 GCEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970704551 1184975325 /nfs/dbraw/zinc/97/53/25/1184975325.db2.gz UZHSMHJMDZSGDB-MLYOOKFZSA-N 1 2 392.459 0.436 20 30 GCEDLO Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)cn1 ZINC000275848721 1185180639 /nfs/dbraw/zinc/18/06/39/1185180639.db2.gz GNMMVMQCGORURS-UHFFFAOYSA-N 1 2 392.463 0.915 20 30 GCEDLO Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)cn1 ZINC000275848721 1185180646 /nfs/dbraw/zinc/18/06/46/1185180646.db2.gz GNMMVMQCGORURS-UHFFFAOYSA-N 1 2 392.463 0.915 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)[C@H](C)C1 ZINC000275873803 1185209130 /nfs/dbraw/zinc/20/91/30/1185209130.db2.gz FAVHVHGFCAVJPL-CQSZACIVSA-N 1 2 388.424 0.623 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)[C@H](C)C1 ZINC000275873803 1185209135 /nfs/dbraw/zinc/20/91/35/1185209135.db2.gz FAVHVHGFCAVJPL-CQSZACIVSA-N 1 2 388.424 0.623 20 30 GCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000275928774 1185298660 /nfs/dbraw/zinc/29/86/60/1185298660.db2.gz CQPAMMGUHCDYIR-QGZVFWFLSA-N 1 2 388.468 0.578 20 30 GCEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000580745976 1185331984 /nfs/dbraw/zinc/33/19/84/1185331984.db2.gz DCOIOTMVPSSLLG-GOEBONIOSA-N 1 2 392.481 0.158 20 30 GCEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276002264 1185426453 /nfs/dbraw/zinc/42/64/53/1185426453.db2.gz JCVUHCZBXCKJID-HNNXBMFYSA-N 1 2 390.440 0.047 20 30 GCEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000276002265 1185426684 /nfs/dbraw/zinc/42/66/84/1185426684.db2.gz JCVUHCZBXCKJID-OAHLLOKOSA-N 1 2 390.440 0.047 20 30 GCEDLO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000328770641 1185627120 /nfs/dbraw/zinc/62/71/20/1185627120.db2.gz GTTLTPKCXFRYGH-KRWDZBQOSA-N 1 2 381.521 0.251 20 30 GCEDLO C#CCN(C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)C1CC1 ZINC000276294131 1185719850 /nfs/dbraw/zinc/71/98/50/1185719850.db2.gz UYHBXRXUIHBHBF-UHFFFAOYSA-N 1 2 382.464 0.913 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000891607722 1185937981 /nfs/dbraw/zinc/93/79/81/1185937981.db2.gz QSCJMGGNLANHIZ-ROUUACIJSA-N 1 2 398.463 0.956 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000891607722 1185937984 /nfs/dbraw/zinc/93/79/84/1185937984.db2.gz QSCJMGGNLANHIZ-ROUUACIJSA-N 1 2 398.463 0.956 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000891607541 1185938175 /nfs/dbraw/zinc/93/81/75/1185938175.db2.gz UBFXQZFAADETOX-ZDUSSCGKSA-N 1 2 375.425 0.865 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000891607541 1185938176 /nfs/dbraw/zinc/93/81/76/1185938176.db2.gz UBFXQZFAADETOX-ZDUSSCGKSA-N 1 2 375.425 0.865 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)C1 ZINC000891604424 1185938251 /nfs/dbraw/zinc/93/82/51/1185938251.db2.gz XZYWLPJHQIHQMZ-OXJNMPFZSA-N 1 2 384.436 0.794 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)C1 ZINC000891604424 1185938254 /nfs/dbraw/zinc/93/82/54/1185938254.db2.gz XZYWLPJHQIHQMZ-OXJNMPFZSA-N 1 2 384.436 0.794 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)C1 ZINC000891605159 1185938776 /nfs/dbraw/zinc/93/87/76/1185938776.db2.gz AQTMYJHVTPRPOF-ZDUSSCGKSA-N 1 2 376.844 0.852 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)C1 ZINC000891605159 1185938781 /nfs/dbraw/zinc/93/87/81/1185938781.db2.gz AQTMYJHVTPRPOF-ZDUSSCGKSA-N 1 2 376.844 0.852 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC(=O)OCC)c2)C1 ZINC000891608043 1185939425 /nfs/dbraw/zinc/93/94/25/1185939425.db2.gz UPHYNZLVEDJBBS-INIZCTEOSA-N 1 2 387.436 0.781 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC(=O)OCC)c2)C1 ZINC000891608043 1185939428 /nfs/dbraw/zinc/93/94/28/1185939428.db2.gz UPHYNZLVEDJBBS-INIZCTEOSA-N 1 2 387.436 0.781 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)C1 ZINC000891606518 1185939875 /nfs/dbraw/zinc/93/98/75/1185939875.db2.gz OKVGUNAYWNXBEN-INIZCTEOSA-N 1 2 398.463 0.974 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)C1 ZINC000891606518 1185939879 /nfs/dbraw/zinc/93/98/79/1185939879.db2.gz OKVGUNAYWNXBEN-INIZCTEOSA-N 1 2 398.463 0.974 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000891606554 1185940023 /nfs/dbraw/zinc/94/00/23/1185940023.db2.gz GXRRNALERYWBHC-INIZCTEOSA-N 1 2 396.447 0.488 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1 ZINC000891606554 1185940025 /nfs/dbraw/zinc/94/00/25/1185940025.db2.gz GXRRNALERYWBHC-INIZCTEOSA-N 1 2 396.447 0.488 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)C1 ZINC000891605957 1185940179 /nfs/dbraw/zinc/94/01/79/1185940179.db2.gz CRYWTMSIARQHJA-MRXNPFEDSA-N 1 2 396.447 0.882 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)C1 ZINC000891605957 1185940181 /nfs/dbraw/zinc/94/01/81/1185940181.db2.gz CRYWTMSIARQHJA-MRXNPFEDSA-N 1 2 396.447 0.882 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)C1 ZINC000891607203 1185941089 /nfs/dbraw/zinc/94/10/89/1185941089.db2.gz SHHONXCYMIPHDF-KRWDZBQOSA-N 1 2 393.447 0.803 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)C1 ZINC000891607203 1185941092 /nfs/dbraw/zinc/94/10/92/1185941092.db2.gz SHHONXCYMIPHDF-KRWDZBQOSA-N 1 2 393.447 0.803 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2C)C1 ZINC000891608320 1185941326 /nfs/dbraw/zinc/94/13/26/1185941326.db2.gz UXWQXNZXSNCCFH-HNNXBMFYSA-N 1 2 387.436 0.699 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2C)C1 ZINC000891608320 1185941328 /nfs/dbraw/zinc/94/13/28/1185941328.db2.gz UXWQXNZXSNCCFH-HNNXBMFYSA-N 1 2 387.436 0.699 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000891608474 1185942281 /nfs/dbraw/zinc/94/22/81/1185942281.db2.gz ZMOYSEIUIIVYQX-MRXNPFEDSA-N 1 2 388.443 0.815 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1 ZINC000891608474 1185942284 /nfs/dbraw/zinc/94/22/84/1185942284.db2.gz ZMOYSEIUIIVYQX-MRXNPFEDSA-N 1 2 388.443 0.815 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CC(C)(C)C#N)CC1 ZINC000785080846 1185975131 /nfs/dbraw/zinc/97/51/31/1185975131.db2.gz VCGXGEPXJSSQCF-UHFFFAOYSA-N 1 2 385.428 0.495 20 30 GCEDLO Cc1nc2n(n1)C[C@H](NC(=O)N1CCC(C(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000328853281 1185975564 /nfs/dbraw/zinc/97/55/64/1185975564.db2.gz JDZMWXUSPFXKQR-MRXNPFEDSA-N 1 2 389.504 0.301 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NCC=C ZINC001111490106 1186034812 /nfs/dbraw/zinc/03/48/12/1186034812.db2.gz UCPQDKVJKDQOQH-JJXSEGSLSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NCC=C ZINC001111490106 1186034817 /nfs/dbraw/zinc/03/48/17/1186034817.db2.gz UCPQDKVJKDQOQH-JJXSEGSLSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CC(C)(C)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000891926277 1186163345 /nfs/dbraw/zinc/16/33/45/1186163345.db2.gz XANIESSXQHONGI-UHFFFAOYSA-N 1 2 381.502 0.797 20 30 GCEDLO CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000329008039 1186185176 /nfs/dbraw/zinc/18/51/76/1186185176.db2.gz YPUFBRRSGFDUEJ-OAHLLOKOSA-N 1 2 399.517 0.865 20 30 GCEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000277012746 1186228484 /nfs/dbraw/zinc/22/84/84/1186228484.db2.gz PYEZZWNENIBFPZ-OAHLLOKOSA-N 1 2 379.482 0.908 20 30 GCEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000277012746 1186228490 /nfs/dbraw/zinc/22/84/90/1186228490.db2.gz PYEZZWNENIBFPZ-OAHLLOKOSA-N 1 2 379.482 0.908 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277062494 1186235873 /nfs/dbraw/zinc/23/58/73/1186235873.db2.gz BXHUJZRMJFTJPL-YJBOKZPZSA-N 1 2 385.468 0.679 20 30 GCEDLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 ZINC001708263397 1186827983 /nfs/dbraw/zinc/82/79/83/1186827983.db2.gz VDHVEYPUNMMTKV-IXDOHACOSA-N 1 2 390.488 0.622 20 30 GCEDLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 ZINC001708263397 1186827989 /nfs/dbraw/zinc/82/79/89/1186827989.db2.gz VDHVEYPUNMMTKV-IXDOHACOSA-N 1 2 390.488 0.622 20 30 GCEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000329234757 1186880750 /nfs/dbraw/zinc/88/07/50/1186880750.db2.gz IBZIFWSSHFWLEV-CQSZACIVSA-N 1 2 383.470 0.343 20 30 GCEDLO C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC000329234757 1186880755 /nfs/dbraw/zinc/88/07/55/1186880755.db2.gz IBZIFWSSHFWLEV-CQSZACIVSA-N 1 2 383.470 0.343 20 30 GCEDLO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@@H]1C ZINC000584223245 1187018553 /nfs/dbraw/zinc/01/85/53/1187018553.db2.gz XCIILLWWBVVRJY-AWEZNQCLSA-N 1 2 376.461 0.843 20 30 GCEDLO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C[C@@H]1C ZINC000584223245 1187018557 /nfs/dbraw/zinc/01/85/57/1187018557.db2.gz XCIILLWWBVVRJY-AWEZNQCLSA-N 1 2 376.461 0.843 20 30 GCEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000584263489 1187023750 /nfs/dbraw/zinc/02/37/50/1187023750.db2.gz ZRXUHEYAJOBOCA-UHFFFAOYSA-N 1 2 379.355 1.060 20 30 GCEDLO Cc1noc(Cl)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001111492009 1187120244 /nfs/dbraw/zinc/12/02/44/1187120244.db2.gz GEYPFEMLMBETBI-BNOWGMLFSA-N 1 2 379.848 0.930 20 30 GCEDLO Cc1noc(Cl)c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001111492009 1187120253 /nfs/dbraw/zinc/12/02/53/1187120253.db2.gz GEYPFEMLMBETBI-BNOWGMLFSA-N 1 2 379.848 0.930 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1O ZINC001023960897 1187194613 /nfs/dbraw/zinc/19/46/13/1187194613.db2.gz ZCDMAQRFGGOJCH-SRABZTEZSA-N 1 2 384.436 0.617 20 30 GCEDLO C=CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H](C)COC ZINC000658374116 1187283902 /nfs/dbraw/zinc/28/39/02/1187283902.db2.gz KAOARARPSBQEBU-HNNXBMFYSA-N 1 2 379.461 0.203 20 30 GCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000414107777 1187718740 /nfs/dbraw/zinc/71/87/40/1187718740.db2.gz KUQRJPKFYIAPNY-WMLDXEAASA-N 1 2 375.385 0.568 20 30 GCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000414107777 1187718744 /nfs/dbraw/zinc/71/87/44/1187718744.db2.gz KUQRJPKFYIAPNY-WMLDXEAASA-N 1 2 375.385 0.568 20 30 GCEDLO COc1ccc(OC)c(-n2nnnc2SC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414122921 1187726145 /nfs/dbraw/zinc/72/61/45/1187726145.db2.gz BHNLXUYZAMZWKG-GFCCVEGCSA-N 1 2 378.458 0.978 20 30 GCEDLO COc1ccc(OC)c(-n2nnnc2SC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414122921 1187726152 /nfs/dbraw/zinc/72/61/52/1187726152.db2.gz BHNLXUYZAMZWKG-GFCCVEGCSA-N 1 2 378.458 0.978 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2O)cc1 ZINC001024983899 1187731603 /nfs/dbraw/zinc/73/16/03/1187731603.db2.gz YKVAHCWRUGRJKW-YWTNHNAXSA-N 1 2 378.432 0.507 20 30 GCEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](CNS(N)(=O)=O)C3)o2)cc1 ZINC000173713229 1187735581 /nfs/dbraw/zinc/73/55/81/1187735581.db2.gz GTGNWDGDFBHTSX-CYBMUJFWSA-N 1 2 376.442 0.613 20 30 GCEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](CNS(N)(=O)=O)C3)o2)cc1 ZINC000173713229 1187735586 /nfs/dbraw/zinc/73/55/86/1187735586.db2.gz GTGNWDGDFBHTSX-CYBMUJFWSA-N 1 2 376.442 0.613 20 30 GCEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000589164193 1187949978 /nfs/dbraw/zinc/94/99/78/1187949978.db2.gz RHGZNBIZUXWJBF-PBHICJAKSA-N 1 2 392.481 0.928 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000377641703 1188094089 /nfs/dbraw/zinc/09/40/89/1188094089.db2.gz DXMWDXQAMHJIIE-UHFFFAOYSA-N 1 2 379.464 0.699 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000377641703 1188094095 /nfs/dbraw/zinc/09/40/95/1188094095.db2.gz DXMWDXQAMHJIIE-UHFFFAOYSA-N 1 2 379.464 0.699 20 30 GCEDLO Cc1nsc(N2CCN(c3cc(N4CCN(C)C(=O)C4)nc[nH+]3)CC2)c1C#N ZINC000290565536 1189415740 /nfs/dbraw/zinc/41/57/40/1189415740.db2.gz ASHDKBLWAVHFJO-UHFFFAOYSA-N 1 2 398.496 0.718 20 30 GCEDLO Cc1nsc(N2CCN(c3cc(N4CCN(C)C(=O)C4)[nH+]cn3)CC2)c1C#N ZINC000290565536 1189415741 /nfs/dbraw/zinc/41/57/41/1189415741.db2.gz ASHDKBLWAVHFJO-UHFFFAOYSA-N 1 2 398.496 0.718 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCOC4(CCOCC4)C3)CC2)o1 ZINC000378167295 1189433061 /nfs/dbraw/zinc/43/30/61/1189433061.db2.gz HBMSCTYRLWRZOG-UHFFFAOYSA-N 1 2 389.456 0.385 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCOC4(CCOCC4)C3)CC2)o1 ZINC000378167295 1189433064 /nfs/dbraw/zinc/43/30/64/1189433064.db2.gz HBMSCTYRLWRZOG-UHFFFAOYSA-N 1 2 389.456 0.385 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000363920228 1189575664 /nfs/dbraw/zinc/57/56/64/1189575664.db2.gz LBTSPAURLVINBA-MRXNPFEDSA-N 1 2 379.482 0.698 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000363944432 1189583413 /nfs/dbraw/zinc/58/34/13/1189583413.db2.gz ZWVRKALXDVCFQA-MRXNPFEDSA-N 1 2 377.466 0.145 20 30 GCEDLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000433062227 1193738208 /nfs/dbraw/zinc/73/82/08/1193738208.db2.gz SIQPCRYEAUSQDS-QGZVFWFLSA-N 1 2 388.449 0.743 20 30 GCEDLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000433062227 1193738210 /nfs/dbraw/zinc/73/82/10/1193738210.db2.gz SIQPCRYEAUSQDS-QGZVFWFLSA-N 1 2 388.449 0.743 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2 ZINC001111522451 1193910595 /nfs/dbraw/zinc/91/05/95/1193910595.db2.gz DXOCENHSUNHWSF-XDNAFOTISA-N 1 2 378.517 0.951 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2 ZINC001111522451 1193910597 /nfs/dbraw/zinc/91/05/97/1193910597.db2.gz DXOCENHSUNHWSF-XDNAFOTISA-N 1 2 378.517 0.951 20 30 GCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000729384658 1193916944 /nfs/dbraw/zinc/91/69/44/1193916944.db2.gz BRZUCAVLXSLXIS-AWEZNQCLSA-N 1 2 394.497 0.342 20 30 GCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000729384658 1193916946 /nfs/dbraw/zinc/91/69/46/1193916946.db2.gz BRZUCAVLXSLXIS-AWEZNQCLSA-N 1 2 394.497 0.342 20 30 GCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505519156 1194870207 /nfs/dbraw/zinc/87/02/07/1194870207.db2.gz DJRVFHOVOBHOMG-YOEHRIQHSA-N 1 2 399.451 0.600 20 30 GCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505519156 1194870209 /nfs/dbraw/zinc/87/02/09/1194870209.db2.gz DJRVFHOVOBHOMG-YOEHRIQHSA-N 1 2 399.451 0.600 20 30 GCEDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)NCCCCC#N)CC2)cc1 ZINC000285842139 1194991078 /nfs/dbraw/zinc/99/10/78/1194991078.db2.gz WQFIKUANIMKXPA-UHFFFAOYSA-N 1 2 387.484 0.743 20 30 GCEDLO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)C1=O ZINC000516669461 1195081245 /nfs/dbraw/zinc/08/12/45/1195081245.db2.gz REMXXNRQXMPBMS-DLBZAZTESA-N 1 2 394.516 0.095 20 30 GCEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000437341260 1195097213 /nfs/dbraw/zinc/09/72/13/1195097213.db2.gz BVTKAKOSKUOPJT-INIZCTEOSA-N 1 2 376.482 0.494 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c2)CC1 ZINC000437417735 1195108363 /nfs/dbraw/zinc/10/83/63/1195108363.db2.gz DNIFIAIAVCXRCY-OAHLLOKOSA-N 1 2 385.468 0.907 20 30 GCEDLO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000518287171 1195275240 /nfs/dbraw/zinc/27/52/40/1195275240.db2.gz YNNFIURZJGJNPC-HNNXBMFYSA-N 1 2 385.468 0.875 20 30 GCEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCn3cc[nH+]c3)C2)c(F)c1 ZINC000550082327 1195431244 /nfs/dbraw/zinc/43/12/44/1195431244.db2.gz MAYMDEYQCRKFNH-HNNXBMFYSA-N 1 2 384.415 0.795 20 30 GCEDLO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427015537 1195499984 /nfs/dbraw/zinc/49/99/84/1195499984.db2.gz JFOUHTREJHLZQK-AWEZNQCLSA-N 1 2 389.456 0.458 20 30 GCEDLO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCn4cc[nH+]c4C3)n2)c(F)c1 ZINC000427042006 1195502003 /nfs/dbraw/zinc/50/20/03/1195502003.db2.gz WTGCHVMZVHEDBZ-ZDUSSCGKSA-N 1 2 393.382 1.149 20 30 GCEDLO CCn1cc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)cn1 ZINC000427468541 1195541953 /nfs/dbraw/zinc/54/19/53/1195541953.db2.gz DTGCDZURJKCIPC-CVEARBPZSA-N 1 2 380.408 0.955 20 30 GCEDLO CCn1cc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)cn1 ZINC000427468541 1195541955 /nfs/dbraw/zinc/54/19/55/1195541955.db2.gz DTGCDZURJKCIPC-CVEARBPZSA-N 1 2 380.408 0.955 20 30 GCEDLO O=C(C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000366796436 1195545162 /nfs/dbraw/zinc/54/51/62/1195545162.db2.gz CLZLSASWMZSICD-HOTGVXAUSA-N 1 2 395.381 0.762 20 30 GCEDLO O=C(C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000366796436 1195545166 /nfs/dbraw/zinc/54/51/66/1195545166.db2.gz CLZLSASWMZSICD-HOTGVXAUSA-N 1 2 395.381 0.762 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ncc1C#N ZINC000519641165 1195561374 /nfs/dbraw/zinc/56/13/74/1195561374.db2.gz FXBFXUJZRJHURW-UHFFFAOYSA-N 1 2 398.467 0.357 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ncc1C#N ZINC000519641165 1195561377 /nfs/dbraw/zinc/56/13/77/1195561377.db2.gz FXBFXUJZRJHURW-UHFFFAOYSA-N 1 2 398.467 0.357 20 30 GCEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCNC1=O ZINC000440949664 1195591762 /nfs/dbraw/zinc/59/17/62/1195591762.db2.gz FKONLGWOSQTWSR-MSOLQXFVSA-N 1 2 387.459 0.745 20 30 GCEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCNC1=O ZINC000440949664 1195591764 /nfs/dbraw/zinc/59/17/64/1195591764.db2.gz FKONLGWOSQTWSR-MSOLQXFVSA-N 1 2 387.459 0.745 20 30 GCEDLO C=CCOc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000441001100 1195595829 /nfs/dbraw/zinc/59/58/29/1195595829.db2.gz GDBLYMFFQRDOTG-MRXNPFEDSA-N 1 2 377.441 0.341 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC(Cn2ccnn2)CC1 ZINC000328665042 1195658678 /nfs/dbraw/zinc/65/86/78/1195658678.db2.gz BVPKGPLWFFTJKH-UHFFFAOYSA-N 1 2 388.476 0.765 20 30 GCEDLO CC(=O)N(C)C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000328747194 1195663176 /nfs/dbraw/zinc/66/31/76/1195663176.db2.gz PAQPIBVIZKJCQL-UHFFFAOYSA-N 1 2 389.504 0.455 20 30 GCEDLO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000328897491 1195675377 /nfs/dbraw/zinc/67/53/77/1195675377.db2.gz XKNQSIZOMQKURY-QGZVFWFLSA-N 1 2 380.489 0.667 20 30 GCEDLO CC(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC000328897491 1195675380 /nfs/dbraw/zinc/67/53/80/1195675380.db2.gz XKNQSIZOMQKURY-QGZVFWFLSA-N 1 2 380.489 0.667 20 30 GCEDLO C[C@H](NC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[C@H](C)[NH+]1CCOCC1 ZINC000330631773 1195701291 /nfs/dbraw/zinc/70/12/91/1195701291.db2.gz GMWDORFEMVOMKM-HRCADAONSA-N 1 2 390.550 0.803 20 30 GCEDLO CCN(C1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1)S(C)(=O)=O ZINC000330673560 1195703314 /nfs/dbraw/zinc/70/33/14/1195703314.db2.gz PLHQVEYDPHTJDD-UHFFFAOYSA-N 1 2 390.550 0.757 20 30 GCEDLO CCN(C1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1)S(C)(=O)=O ZINC000330673560 1195703317 /nfs/dbraw/zinc/70/33/17/1195703317.db2.gz PLHQVEYDPHTJDD-UHFFFAOYSA-N 1 2 390.550 0.757 20 30 GCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330759116 1195706191 /nfs/dbraw/zinc/70/61/91/1195706191.db2.gz LYIOUAVNIYGPIZ-IAGOWNOFSA-N 1 2 387.546 0.926 20 30 GCEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330759116 1195706195 /nfs/dbraw/zinc/70/61/95/1195706195.db2.gz LYIOUAVNIYGPIZ-IAGOWNOFSA-N 1 2 387.546 0.926 20 30 GCEDLO COc1ccc(NC([O-])=[NH+]C[C@H]2C[N@H+](C)CCN2C)cc1NS(C)(=O)=O ZINC000330756312 1195706344 /nfs/dbraw/zinc/70/63/44/1195706344.db2.gz ZFGOWDSVQDLIBL-ZDUSSCGKSA-N 1 2 385.490 0.638 20 30 GCEDLO COc1ccc(NC([O-])=[NH+]C[C@H]2C[N@@H+](C)CCN2C)cc1NS(C)(=O)=O ZINC000330756312 1195706348 /nfs/dbraw/zinc/70/63/48/1195706348.db2.gz ZFGOWDSVQDLIBL-ZDUSSCGKSA-N 1 2 385.490 0.638 20 30 GCEDLO COc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1NS(C)(=O)=O ZINC000330756312 1195706349 /nfs/dbraw/zinc/70/63/49/1195706349.db2.gz ZFGOWDSVQDLIBL-ZDUSSCGKSA-N 1 2 385.490 0.638 20 30 GCEDLO COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1NS(C)(=O)=O ZINC000330756312 1195706352 /nfs/dbraw/zinc/70/63/52/1195706352.db2.gz ZFGOWDSVQDLIBL-ZDUSSCGKSA-N 1 2 385.490 0.638 20 30 GCEDLO C=CCn1c(-c2ncccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000417456687 1195746853 /nfs/dbraw/zinc/74/68/53/1195746853.db2.gz GTXLLYZLVDNLFZ-AWEZNQCLSA-N 1 2 382.472 0.710 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087755268 1196074144 /nfs/dbraw/zinc/07/41/44/1196074144.db2.gz DYZBMUURMZZDOF-MPTYRVRUSA-N 1 2 377.489 0.949 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087755268 1196074146 /nfs/dbraw/zinc/07/41/46/1196074146.db2.gz DYZBMUURMZZDOF-MPTYRVRUSA-N 1 2 377.489 0.949 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(OCCCOC)c2)CC1 ZINC000895916030 1196117870 /nfs/dbraw/zinc/11/78/70/1196117870.db2.gz SZRVOZZQRQLJGT-UHFFFAOYSA-N 1 2 381.498 0.687 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cnc2n(c1=O)CCS2 ZINC000329000741 1196155745 /nfs/dbraw/zinc/15/57/45/1196155745.db2.gz VRYSNDHQXJEHMP-UHFFFAOYSA-N 1 2 376.442 0.514 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329111840 1196165208 /nfs/dbraw/zinc/16/52/08/1196165208.db2.gz KGZBVCUKYYUJOV-CRAIPNDOSA-N 1 2 379.461 0.879 20 30 GCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000329302283 1196183860 /nfs/dbraw/zinc/18/38/60/1196183860.db2.gz NIGSIRNLPYXSPY-HZPDHXFCSA-N 1 2 388.534 0.557 20 30 GCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000329302283 1196183863 /nfs/dbraw/zinc/18/38/63/1196183863.db2.gz NIGSIRNLPYXSPY-HZPDHXFCSA-N 1 2 388.534 0.557 20 30 GCEDLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000329319812 1196185276 /nfs/dbraw/zinc/18/52/76/1196185276.db2.gz DSXRDOTWOSSUAU-OAHLLOKOSA-N 1 2 387.550 0.589 20 30 GCEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)C[C@@H]21 ZINC000329339941 1196186834 /nfs/dbraw/zinc/18/68/34/1196186834.db2.gz NZNKELVQMQANQV-IXDOHACOSA-N 1 2 379.505 0.986 20 30 GCEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)C[C@@H]21 ZINC000329339941 1196186837 /nfs/dbraw/zinc/18/68/37/1196186837.db2.gz NZNKELVQMQANQV-IXDOHACOSA-N 1 2 379.505 0.986 20 30 GCEDLO C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329430259 1196194784 /nfs/dbraw/zinc/19/47/84/1196194784.db2.gz KEJNJAWHBKQUME-AWEZNQCLSA-N 1 2 388.472 0.806 20 30 GCEDLO C[C@@H](CN1CCOCC1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329457482 1196197715 /nfs/dbraw/zinc/19/77/15/1196197715.db2.gz QNKAKLCYIAAPHU-HNNXBMFYSA-N 1 2 390.488 0.516 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520685693 1196211826 /nfs/dbraw/zinc/21/18/26/1196211826.db2.gz AJENXELBIBJVFF-INIZCTEOSA-N 1 2 396.513 0.631 20 30 GCEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CC1 ZINC000329744593 1196229376 /nfs/dbraw/zinc/22/93/76/1196229376.db2.gz XWISRIILVJXEMM-UHFFFAOYSA-N 1 2 379.442 0.664 20 30 GCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000329797724 1196231891 /nfs/dbraw/zinc/23/18/91/1196231891.db2.gz HKXGPTYLFRIIBT-UHFFFAOYSA-N 1 2 381.452 0.735 20 30 GCEDLO CN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000329844574 1196234083 /nfs/dbraw/zinc/23/40/83/1196234083.db2.gz OJQWKEBAXZBPIZ-CQSZACIVSA-N 1 2 395.485 0.134 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@@H](n4cncn4)C3)ccn2)CC1 ZINC000329846637 1196234283 /nfs/dbraw/zinc/23/42/83/1196234283.db2.gz PAMKBPWJDZEZOB-MRXNPFEDSA-N 1 2 398.471 0.943 20 30 GCEDLO COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000329851516 1196234629 /nfs/dbraw/zinc/23/46/29/1196234629.db2.gz TVECCOCNTWFECO-JKSUJKDBSA-N 1 2 392.504 0.698 20 30 GCEDLO Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)o1 ZINC000329926109 1196239660 /nfs/dbraw/zinc/23/96/60/1196239660.db2.gz VXYSUTIBGNDEDK-KBMXLJTQSA-N 1 2 397.499 0.777 20 30 GCEDLO Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)o1 ZINC000329926108 1196239838 /nfs/dbraw/zinc/23/98/38/1196239838.db2.gz VXYSUTIBGNDEDK-BPUTZDHNSA-N 1 2 397.499 0.777 20 30 GCEDLO CCCC1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000329939674 1196240976 /nfs/dbraw/zinc/24/09/76/1196240976.db2.gz FTHYNGNRWDORBZ-UHFFFAOYSA-N 1 2 387.550 0.591 20 30 GCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000330120334 1196253892 /nfs/dbraw/zinc/25/38/92/1196253892.db2.gz IWXWRMVDYYKLHY-QWFCFKBJSA-N 1 2 378.517 0.949 20 30 GCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000330120334 1196253893 /nfs/dbraw/zinc/25/38/93/1196253893.db2.gz IWXWRMVDYYKLHY-QWFCFKBJSA-N 1 2 378.517 0.949 20 30 GCEDLO CCO[C@@H]1C[C@@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@H]1OC ZINC000330119661 1196254100 /nfs/dbraw/zinc/25/41/00/1196254100.db2.gz IKYQPIXLNYOIAR-DJIMGWMZSA-N 1 2 391.472 0.797 20 30 GCEDLO C=CCn1c(COCC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000508470209 1196368414 /nfs/dbraw/zinc/36/84/14/1196368414.db2.gz BMQFMQVOJZCLHT-MRXNPFEDSA-N 1 2 392.504 0.370 20 30 GCEDLO C=CCn1c(COCC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000508470208 1196368615 /nfs/dbraw/zinc/36/86/15/1196368615.db2.gz BMQFMQVOJZCLHT-INIZCTEOSA-N 1 2 392.504 0.370 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1 ZINC000301304000 1196424830 /nfs/dbraw/zinc/42/48/30/1196424830.db2.gz WZOGILIYGWRJRE-UHFFFAOYSA-N 1 2 384.406 0.823 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC1 ZINC000301304000 1196424832 /nfs/dbraw/zinc/42/48/32/1196424832.db2.gz WZOGILIYGWRJRE-UHFFFAOYSA-N 1 2 384.406 0.823 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000441009678 1196637375 /nfs/dbraw/zinc/63/73/75/1196637375.db2.gz LJDYXZHKSYVZBQ-ZDUSSCGKSA-N 1 2 380.832 0.302 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000448967183 1196842085 /nfs/dbraw/zinc/84/20/85/1196842085.db2.gz NXCCUBPLUKUJOM-BBWFWOEESA-N 1 2 387.484 0.989 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000448967183 1196842090 /nfs/dbraw/zinc/84/20/90/1196842090.db2.gz NXCCUBPLUKUJOM-BBWFWOEESA-N 1 2 387.484 0.989 20 30 GCEDLO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCN1C(=O)c1cnn(C)c1 ZINC000528515196 1196865165 /nfs/dbraw/zinc/86/51/65/1196865165.db2.gz FXZZFLRNYCOEFZ-MAUKXSAKSA-N 1 2 383.452 0.878 20 30 GCEDLO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCN1C(=O)c1cnn(C)c1 ZINC000528515196 1196865172 /nfs/dbraw/zinc/86/51/72/1196865172.db2.gz FXZZFLRNYCOEFZ-MAUKXSAKSA-N 1 2 383.452 0.878 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000528730092 1196882663 /nfs/dbraw/zinc/88/26/63/1196882663.db2.gz QZPHIIFPPYWHMV-HNNXBMFYSA-N 1 2 377.489 0.388 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000528730092 1196882667 /nfs/dbraw/zinc/88/26/67/1196882667.db2.gz QZPHIIFPPYWHMV-HNNXBMFYSA-N 1 2 377.489 0.388 20 30 GCEDLO C[C@]1(CO)C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@]1(C)CO ZINC000528751619 1196885451 /nfs/dbraw/zinc/88/54/51/1196885451.db2.gz MFDAESHLVWHLKP-BGYRXZFFSA-N 1 2 383.452 0.995 20 30 GCEDLO C[C@]1(CO)C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@]1(C)CO ZINC000528751619 1196885461 /nfs/dbraw/zinc/88/54/61/1196885461.db2.gz MFDAESHLVWHLKP-BGYRXZFFSA-N 1 2 383.452 0.995 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000528738806 1196886227 /nfs/dbraw/zinc/88/62/27/1196886227.db2.gz QVAILYVAVGYLRD-IBGZPJMESA-N 1 2 397.479 0.724 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000528738806 1196886230 /nfs/dbraw/zinc/88/62/30/1196886230.db2.gz QVAILYVAVGYLRD-IBGZPJMESA-N 1 2 397.479 0.724 20 30 GCEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000453619200 1197114805 /nfs/dbraw/zinc/11/48/05/1197114805.db2.gz ROGLBCCXUFSWJL-UHFFFAOYSA-N 1 2 397.479 0.962 20 30 GCEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000453619200 1197114808 /nfs/dbraw/zinc/11/48/08/1197114808.db2.gz ROGLBCCXUFSWJL-UHFFFAOYSA-N 1 2 397.479 0.962 20 30 GCEDLO Cn1ncc(-c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)c1C#N ZINC000350142694 1197271041 /nfs/dbraw/zinc/27/10/41/1197271041.db2.gz MCCBGYSCXAYQAB-UHFFFAOYSA-N 1 2 378.396 0.791 20 30 GCEDLO C=CCC1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC1 ZINC000453966501 1197276695 /nfs/dbraw/zinc/27/66/95/1197276695.db2.gz BVWZFJFCOALWFH-UHFFFAOYSA-N 1 2 389.500 1.407 20 30 GCEDLO N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000532475385 1197311589 /nfs/dbraw/zinc/31/15/89/1197311589.db2.gz IZQCXPOWQATTBF-UHFFFAOYSA-N 1 2 383.452 0.653 20 30 GCEDLO CN(CC[N@H+](C)CC(=O)NCC#Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001272067023 1197313804 /nfs/dbraw/zinc/31/38/04/1197313804.db2.gz AFEJZUWJJVLTFN-JRHPMUGDSA-N 1 2 395.503 0.968 20 30 GCEDLO CN(CC[N@@H+](C)CC(=O)NCC#Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001272067023 1197313807 /nfs/dbraw/zinc/31/38/07/1197313807.db2.gz AFEJZUWJJVLTFN-JRHPMUGDSA-N 1 2 395.503 0.968 20 30 GCEDLO N#Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000532921377 1197421594 /nfs/dbraw/zinc/42/15/94/1197421594.db2.gz DWTQYNBFUSNBAU-UHFFFAOYSA-N 1 2 383.452 0.653 20 30 GCEDLO Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)n(CCC#N)n1 ZINC000533010485 1197427235 /nfs/dbraw/zinc/42/72/35/1197427235.db2.gz HBGDNZJBLHQFII-OAHLLOKOSA-N 1 2 376.461 0.517 20 30 GCEDLO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000533225154 1197439962 /nfs/dbraw/zinc/43/99/62/1197439962.db2.gz MIQVDVGJUPRITQ-MRXNPFEDSA-N 1 2 392.481 0.512 20 30 GCEDLO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000533225154 1197439963 /nfs/dbraw/zinc/43/99/63/1197439963.db2.gz MIQVDVGJUPRITQ-MRXNPFEDSA-N 1 2 392.481 0.512 20 30 GCEDLO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000272893094 1197565503 /nfs/dbraw/zinc/56/55/03/1197565503.db2.gz XFDWKNPZHZEZIY-ZWKOTPCHSA-N 1 2 395.525 0.769 20 30 GCEDLO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000272893094 1197565506 /nfs/dbraw/zinc/56/55/06/1197565506.db2.gz XFDWKNPZHZEZIY-ZWKOTPCHSA-N 1 2 395.525 0.769 20 30 GCEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000543188275 1199571306 /nfs/dbraw/zinc/57/13/06/1199571306.db2.gz VVKOZGOKQBWCNY-QZTJIDSGSA-N 1 2 392.500 0.944 20 30 GCEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000543188275 1199571314 /nfs/dbraw/zinc/57/13/14/1199571314.db2.gz VVKOZGOKQBWCNY-QZTJIDSGSA-N 1 2 392.500 0.944 20 30 GCEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093057438 1199817289 /nfs/dbraw/zinc/81/72/89/1199817289.db2.gz FMGTZRAYNCLEJF-MRXNPFEDSA-N 1 2 382.468 0.571 20 30 GCEDLO CN(CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000328920914 1199827288 /nfs/dbraw/zinc/82/72/88/1199827288.db2.gz TUKZXYSDAOHUPY-SJORKVTESA-N 1 2 392.481 0.110 20 30 GCEDLO CN(CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000328920914 1199827291 /nfs/dbraw/zinc/82/72/91/1199827291.db2.gz TUKZXYSDAOHUPY-SJORKVTESA-N 1 2 392.481 0.110 20 30 GCEDLO Cc1onc(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000499953005 1199834472 /nfs/dbraw/zinc/83/44/72/1199834472.db2.gz SFFQHBOZVWGHLO-UHFFFAOYSA-N 1 2 382.424 0.647 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)n2nnc(-c3ccccc3)n2)CC1 ZINC000173080898 1199888372 /nfs/dbraw/zinc/88/83/72/1199888372.db2.gz VHBTVZMXVMOBCV-INIZCTEOSA-N 1 2 395.467 0.185 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)n2nnc(-c3ccccc3)n2)CC1 ZINC000173080898 1199888373 /nfs/dbraw/zinc/88/83/73/1199888373.db2.gz VHBTVZMXVMOBCV-INIZCTEOSA-N 1 2 395.467 0.185 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3cnn(CC)c3nc2C)CC1 ZINC000282486570 1200058417 /nfs/dbraw/zinc/05/84/17/1200058417.db2.gz UFKIPWBNPMSZGS-UHFFFAOYSA-N 1 2 382.468 0.657 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3cnn(CC)c3nc2C)CC1 ZINC000282486570 1200058422 /nfs/dbraw/zinc/05/84/22/1200058422.db2.gz UFKIPWBNPMSZGS-UHFFFAOYSA-N 1 2 382.468 0.657 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001129267079 1200597514 /nfs/dbraw/zinc/59/75/14/1200597514.db2.gz WRDFFPLYFPFBED-NCOADZHNSA-N 1 2 390.488 0.078 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001129267079 1200597516 /nfs/dbraw/zinc/59/75/16/1200597516.db2.gz WRDFFPLYFPFBED-NCOADZHNSA-N 1 2 390.488 0.078 20 30 GCEDLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000584811783 1200629871 /nfs/dbraw/zinc/62/98/71/1200629871.db2.gz ZKFLRUWIFSSAOV-UHFFFAOYSA-N 1 2 383.799 1.386 20 30 GCEDLO N#CCCC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000584838085 1200665891 /nfs/dbraw/zinc/66/58/91/1200665891.db2.gz SSKFAHMINUQQJM-UHFFFAOYSA-N 1 2 388.472 0.696 20 30 GCEDLO CC(C)[C@H](CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)[NH+]1CCOCC1 ZINC000536973493 1200759835 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/nfs/dbraw/zinc/01/75/94/1202017594.db2.gz NYFMCBCQATWMAW-GJGATLCTSA-N 1 2 383.452 0.520 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(F)cc1F)C2 ZINC001109370193 1202031121 /nfs/dbraw/zinc/03/11/21/1202031121.db2.gz BWEKBACKNULYLO-SNPRPXQTSA-N 1 2 378.379 0.705 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(F)cc1F)C2 ZINC001109370193 1202031123 /nfs/dbraw/zinc/03/11/23/1202031123.db2.gz BWEKBACKNULYLO-SNPRPXQTSA-N 1 2 378.379 0.705 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3cccnc3)nn1)C2 ZINC001109377342 1202034254 /nfs/dbraw/zinc/03/42/54/1202034254.db2.gz NXPGSFPYYFRKGW-KMFMINBZSA-N 1 2 381.440 0.300 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3cccnc3)nn1)C2 ZINC001109377342 1202034256 /nfs/dbraw/zinc/03/42/56/1202034256.db2.gz NXPGSFPYYFRKGW-KMFMINBZSA-N 1 2 381.440 0.300 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3c(=O)[nH]1)C2 ZINC001109406327 1202039391 /nfs/dbraw/zinc/03/93/91/1202039391.db2.gz WYJDMUUZNSKZIT-KMFMINBZSA-N 1 2 379.420 0.915 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3c(=O)[nH]1)C2 ZINC001109406327 1202039395 /nfs/dbraw/zinc/03/93/95/1202039395.db2.gz WYJDMUUZNSKZIT-KMFMINBZSA-N 1 2 379.420 0.915 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(CC(C)C)CCNC1=O)C2 ZINC001109421969 1202046216 /nfs/dbraw/zinc/04/62/16/1202046216.db2.gz SEZGDPKWVWHBMO-OLPIVMHESA-N 1 2 376.501 0.563 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(CC(C)C)CCNC1=O)C2 ZINC001109421969 1202046218 /nfs/dbraw/zinc/04/62/18/1202046218.db2.gz SEZGDPKWVWHBMO-OLPIVMHESA-N 1 2 376.501 0.563 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(c3ccccc3)C1)C2 ZINC001109437945 1202049929 /nfs/dbraw/zinc/04/99/29/1202049929.db2.gz UBBQBHDGQVOUQL-NQYYFHDYSA-N 1 2 381.480 0.874 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCN(c3ccccc3)C1)C2 ZINC001109437945 1202049930 /nfs/dbraw/zinc/04/99/30/1202049930.db2.gz UBBQBHDGQVOUQL-NQYYFHDYSA-N 1 2 381.480 0.874 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc3ccnn3c1C)C2 ZINC001109469988 1202058654 /nfs/dbraw/zinc/05/86/54/1202058654.db2.gz QDYPCEOQSKPTLV-PMPSAXMXSA-N 1 2 382.468 0.983 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc3ccnn3c1C)C2 ZINC001109469988 1202058657 /nfs/dbraw/zinc/05/86/57/1202058657.db2.gz QDYPCEOQSKPTLV-PMPSAXMXSA-N 1 2 382.468 0.983 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)C2 ZINC001109491150 1202064302 /nfs/dbraw/zinc/06/43/02/1202064302.db2.gz JMWNVWAVFNKXKQ-QYZOEREBSA-N 1 2 382.464 0.407 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)C2 ZINC001109491150 1202064303 /nfs/dbraw/zinc/06/43/03/1202064303.db2.gz JMWNVWAVFNKXKQ-QYZOEREBSA-N 1 2 382.464 0.407 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Br)c[nH]1)C2 ZINC001109496069 1202066293 /nfs/dbraw/zinc/06/62/93/1202066293.db2.gz ZLKBHVQQCWHKKX-MDZLAQPJSA-N 1 2 380.246 0.752 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Br)c[nH]1)C2 ZINC001109496069 1202066295 /nfs/dbraw/zinc/06/62/95/1202066295.db2.gz ZLKBHVQQCWHKKX-MDZLAQPJSA-N 1 2 380.246 0.752 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccon1)C2 ZINC001109523197 1202070459 /nfs/dbraw/zinc/07/04/59/1202070459.db2.gz IZAIETPGTKTBIT-ILXRZTDVSA-N 1 2 375.429 0.341 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccon1)C2 ZINC001109523197 1202070462 /nfs/dbraw/zinc/07/04/62/1202070462.db2.gz IZAIETPGTKTBIT-ILXRZTDVSA-N 1 2 375.429 0.341 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C(N)=O)cc1)C2 ZINC001109517798 1202071058 /nfs/dbraw/zinc/07/10/58/1202071058.db2.gz CWRLGQISIXGQMG-SQNIBIBYSA-N 1 2 382.464 0.189 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C(N)=O)cc1)C2 ZINC001109517798 1202071059 /nfs/dbraw/zinc/07/10/59/1202071059.db2.gz CWRLGQISIXGQMG-SQNIBIBYSA-N 1 2 382.464 0.189 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001109535821 1202074385 /nfs/dbraw/zinc/07/43/85/1202074385.db2.gz PEIQEUZEMVPKLZ-SRFBJZQXSA-N 1 2 390.484 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001109535821 1202074387 /nfs/dbraw/zinc/07/43/87/1202074387.db2.gz PEIQEUZEMVPKLZ-SRFBJZQXSA-N 1 2 390.484 0.535 20 30 GCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000769960995 1202078624 /nfs/dbraw/zinc/07/86/24/1202078624.db2.gz KDQOPCAMUXLOPW-CQSZACIVSA-N 1 2 395.481 0.608 20 30 GCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000769960995 1202078625 /nfs/dbraw/zinc/07/86/25/1202078625.db2.gz KDQOPCAMUXLOPW-CQSZACIVSA-N 1 2 395.481 0.608 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCN1CCCC)C2 ZINC001109560696 1202079273 /nfs/dbraw/zinc/07/92/73/1202079273.db2.gz MYFNBUPDZNXXMF-OWSLCNJRSA-N 1 2 378.517 0.511 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCN1CCCC)C2 ZINC001109560696 1202079277 /nfs/dbraw/zinc/07/92/77/1202079277.db2.gz MYFNBUPDZNXXMF-OWSLCNJRSA-N 1 2 378.517 0.511 20 30 GCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC ZINC001109563260 1202081066 /nfs/dbraw/zinc/08/10/66/1202081066.db2.gz OCLZDNDEKHACDI-QZNHQWIBSA-N 1 2 380.489 0.782 20 30 GCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC ZINC001109563260 1202081067 /nfs/dbraw/zinc/08/10/67/1202081067.db2.gz OCLZDNDEKHACDI-QZNHQWIBSA-N 1 2 380.489 0.782 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)Nc3ccccc31)C2 ZINC001109577074 1202082449 /nfs/dbraw/zinc/08/24/49/1202082449.db2.gz PLIMPIYPWJVKHV-QCPWZWHMSA-N 1 2 381.436 0.474 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)Nc3ccccc31)C2 ZINC001109577074 1202082451 /nfs/dbraw/zinc/08/24/51/1202082451.db2.gz PLIMPIYPWJVKHV-QCPWZWHMSA-N 1 2 381.436 0.474 20 30 GCEDLO Cc1noc2nc(C)cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@@H+]4CC(=O)NCC#N)c12 ZINC001109572604 1202083131 /nfs/dbraw/zinc/08/31/31/1202083131.db2.gz VQWICUYRBZTLFF-SNPRPXQTSA-N 1 2 382.424 0.815 20 30 GCEDLO Cc1noc2nc(C)cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@H+]4CC(=O)NCC#N)c12 ZINC001109572604 1202083134 /nfs/dbraw/zinc/08/31/34/1202083134.db2.gz VQWICUYRBZTLFF-SNPRPXQTSA-N 1 2 382.424 0.815 20 30 GCEDLO CC(C)(C)C(=O)NCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109585322 1202085292 /nfs/dbraw/zinc/08/52/92/1202085292.db2.gz OVHYXAUZZCIOCN-ILXRZTDVSA-N 1 2 377.489 0.290 20 30 GCEDLO CC(C)(C)C(=O)NCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109585322 1202085293 /nfs/dbraw/zinc/08/52/93/1202085293.db2.gz OVHYXAUZZCIOCN-ILXRZTDVSA-N 1 2 377.489 0.290 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(F)(F)F)C2 ZINC001109615891 1202092150 /nfs/dbraw/zinc/09/21/50/1202092150.db2.gz UXETXWVZXNVNMV-USZNOCQGSA-N 1 2 376.379 0.918 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(F)(F)F)C2 ZINC001109615891 1202092151 /nfs/dbraw/zinc/09/21/51/1202092151.db2.gz UXETXWVZXNVNMV-USZNOCQGSA-N 1 2 376.379 0.918 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-c3ncon3)c1)C2 ZINC001109711177 1202109070 /nfs/dbraw/zinc/10/90/70/1202109070.db2.gz YTTJRYGLNAVNRO-IKGGRYGDSA-N 1 2 379.420 0.821 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-c3ncon3)c1)C2 ZINC001109711177 1202109071 /nfs/dbraw/zinc/10/90/71/1202109071.db2.gz YTTJRYGLNAVNRO-IKGGRYGDSA-N 1 2 379.420 0.821 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109735636 1202115078 /nfs/dbraw/zinc/11/50/78/1202115078.db2.gz PKIXGXZSTRWHTH-OWYFMNJBSA-N 1 2 392.500 0.923 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109735636 1202115079 /nfs/dbraw/zinc/11/50/79/1202115079.db2.gz PKIXGXZSTRWHTH-OWYFMNJBSA-N 1 2 392.500 0.923 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)Cc3ccccc31)C2 ZINC001109761920 1202119479 /nfs/dbraw/zinc/11/94/79/1202119479.db2.gz FMSYSNPQVUPVFV-RYRKJORJSA-N 1 2 380.448 0.047 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)Cc3ccccc31)C2 ZINC001109761920 1202119480 /nfs/dbraw/zinc/11/94/80/1202119480.db2.gz FMSYSNPQVUPVFV-RYRKJORJSA-N 1 2 380.448 0.047 20 30 GCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001109806083 1202125693 /nfs/dbraw/zinc/12/56/93/1202125693.db2.gz NNYOHTKRWYWDIU-OWSLCNJRSA-N 1 2 378.517 0.951 20 30 GCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001109806083 1202125695 /nfs/dbraw/zinc/12/56/95/1202125695.db2.gz NNYOHTKRWYWDIU-OWSLCNJRSA-N 1 2 378.517 0.951 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)nn1)C2 ZINC001109835625 1202132969 /nfs/dbraw/zinc/13/29/69/1202132969.db2.gz RZNBJUJPNZLTMN-KBMXLJTQSA-N 1 2 381.440 0.300 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)nn1)C2 ZINC001109835625 1202132972 /nfs/dbraw/zinc/13/29/72/1202132972.db2.gz RZNBJUJPNZLTMN-KBMXLJTQSA-N 1 2 381.440 0.300 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(=O)N(CC)CC)C2 ZINC001109850998 1202136367 /nfs/dbraw/zinc/13/63/67/1202136367.db2.gz ZWUAUCBMQRRZLS-IKGGRYGDSA-N 1 2 376.501 0.496 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(=O)N(CC)CC)C2 ZINC001109850998 1202136369 /nfs/dbraw/zinc/13/63/69/1202136369.db2.gz ZWUAUCBMQRRZLS-IKGGRYGDSA-N 1 2 376.501 0.496 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1NC(C)=O)C2 ZINC001109857796 1202137373 /nfs/dbraw/zinc/13/73/73/1202137373.db2.gz BWXDLKVQBAMJBK-NEWSRXKRSA-N 1 2 382.464 0.658 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1NC(C)=O)C2 ZINC001109857796 1202137374 /nfs/dbraw/zinc/13/73/74/1202137374.db2.gz BWXDLKVQBAMJBK-NEWSRXKRSA-N 1 2 382.464 0.658 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1NC(=O)c3ccccc31)C2 ZINC001109868484 1202140727 /nfs/dbraw/zinc/14/07/27/1202140727.db2.gz SHMGKOBPVFMVAV-ZCPGHIKRSA-N 1 2 381.436 0.222 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1NC(=O)c3ccccc31)C2 ZINC001109868484 1202140730 /nfs/dbraw/zinc/14/07/30/1202140730.db2.gz SHMGKOBPVFMVAV-ZCPGHIKRSA-N 1 2 381.436 0.222 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)n1)C2 ZINC001109904408 1202146934 /nfs/dbraw/zinc/14/69/34/1202146934.db2.gz NIHFSSFUHNLZAJ-KBMXLJTQSA-N 1 2 381.440 0.300 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)n1)C2 ZINC001109904408 1202146937 /nfs/dbraw/zinc/14/69/37/1202146937.db2.gz NIHFSSFUHNLZAJ-KBMXLJTQSA-N 1 2 381.440 0.300 20 30 GCEDLO N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922401 1202150498 /nfs/dbraw/zinc/15/04/98/1202150498.db2.gz DFXMRQVVWKVXAU-VYDXJSESSA-N 1 2 379.424 0.242 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCCOC)C2 ZINC001109947039 1202158249 /nfs/dbraw/zinc/15/82/49/1202158249.db2.gz KTOFHKWZRIVRLX-IKGGRYGDSA-N 1 2 380.489 0.523 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCCOC)C2 ZINC001109947039 1202158251 /nfs/dbraw/zinc/15/82/51/1202158251.db2.gz KTOFHKWZRIVRLX-IKGGRYGDSA-N 1 2 380.489 0.523 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@H]2CCOC2)nc1 ZINC001109998444 1202171148 /nfs/dbraw/zinc/17/11/48/1202171148.db2.gz YYPQJBFHHCYMOD-FPAYPSAMSA-N 1 2 382.464 0.551 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@H]2CCOC2)nc1 ZINC001109998444 1202171150 /nfs/dbraw/zinc/17/11/50/1202171150.db2.gz YYPQJBFHHCYMOD-FPAYPSAMSA-N 1 2 382.464 0.551 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1OCC#C)C2 ZINC001109996745 1202172127 /nfs/dbraw/zinc/17/21/27/1202172127.db2.gz PJNKHEAIEGVOTP-MVJTYMMSSA-N 1 2 380.448 0.567 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1OCC#C)C2 ZINC001109996745 1202172130 /nfs/dbraw/zinc/17/21/30/1202172130.db2.gz PJNKHEAIEGVOTP-MVJTYMMSSA-N 1 2 380.448 0.567 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(F)ccc1F)C2 ZINC001110019389 1202176423 /nfs/dbraw/zinc/17/64/23/1202176423.db2.gz VAWQYACNIMSRJF-KBMXLJTQSA-N 1 2 377.391 0.815 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(F)ccc1F)C2 ZINC001110019389 1202176425 /nfs/dbraw/zinc/17/64/25/1202176425.db2.gz VAWQYACNIMSRJF-KBMXLJTQSA-N 1 2 377.391 0.815 20 30 GCEDLO C[C@@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000787759837 1205400843 /nfs/dbraw/zinc/40/08/43/1205400843.db2.gz PHDUQRDLMTURAM-GDBMZVCRSA-N 1 2 381.440 0.788 20 30 GCEDLO C#CCC1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000788159205 1205416161 /nfs/dbraw/zinc/41/61/61/1205416161.db2.gz RQIMEGQVHFKYDH-UHFFFAOYSA-N 1 2 396.557 0.597 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000788378851 1205421028 /nfs/dbraw/zinc/42/10/28/1205421028.db2.gz TVWSDAYZSDKJGY-MGPUTAFESA-N 1 2 385.468 0.935 20 30 GCEDLO NC(=NOC[C@H]1CCCS(=O)(=O)C1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000789591288 1205443344 /nfs/dbraw/zinc/44/33/44/1205443344.db2.gz MAMWOCJCPVFONN-MRXNPFEDSA-N 1 2 381.498 0.981 20 30 GCEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[NH2+][C@@H](c4cnn(C)c4)C3)CC2)o1 ZINC001170112204 1205444460 /nfs/dbraw/zinc/44/44/60/1205444460.db2.gz MNIIUWFVRVUGPP-QGZVFWFLSA-N 1 2 383.456 0.978 20 30 GCEDLO CCOC(=O)CON=C(C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccn[nH]1 ZINC000789955329 1205453316 /nfs/dbraw/zinc/45/33/16/1205453316.db2.gz UMZFEIHHMUWYLQ-UHFFFAOYSA-N 1 2 399.451 0.868 20 30 GCEDLO CCOC(=O)CON=C(C(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccn[nH]1 ZINC000789955329 1205453318 /nfs/dbraw/zinc/45/33/18/1205453318.db2.gz UMZFEIHHMUWYLQ-UHFFFAOYSA-N 1 2 399.451 0.868 20 30 GCEDLO CCOC(=O)CON=C(C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccn[nH]1 ZINC000790152699 1205457797 /nfs/dbraw/zinc/45/77/97/1205457797.db2.gz HFNRVAYAPIKGKH-CQSZACIVSA-N 1 2 387.396 0.768 20 30 GCEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@H+]2CC[C@H](N3CCCC3=O)C2)C1=O ZINC000790455185 1205465267 /nfs/dbraw/zinc/46/52/67/1205465267.db2.gz YNBGQKYGQOZFAQ-KRWDZBQOSA-N 1 2 381.436 0.977 20 30 GCEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1=O ZINC000790455185 1205465269 /nfs/dbraw/zinc/46/52/69/1205465269.db2.gz YNBGQKYGQOZFAQ-KRWDZBQOSA-N 1 2 381.436 0.977 20 30 GCEDLO N#Cc1ccc(NCCNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)nc1 ZINC000793859015 1205507979 /nfs/dbraw/zinc/50/79/79/1205507979.db2.gz ABJWWBFYBLIMOI-UHFFFAOYSA-N 1 2 398.492 0.717 20 30 GCEDLO N#Cc1ccc(NCCNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)nc1 ZINC000793859015 1205507980 /nfs/dbraw/zinc/50/79/80/1205507980.db2.gz ABJWWBFYBLIMOI-UHFFFAOYSA-N 1 2 398.492 0.717 20 30 GCEDLO C#CCNc1nc(N2CCC(CCO)CC2)nc(N2CCC(CCO)CC2)[nH+]1 ZINC000804440033 1205516218 /nfs/dbraw/zinc/51/62/18/1205516218.db2.gz QNERRGKOOFBGFJ-UHFFFAOYSA-N 1 2 388.516 0.536 20 30 GCEDLO C#CCNc1nc(N2CCC(CCO)CC2)[nH+]c(N2CCC(CCO)CC2)n1 ZINC000804440033 1205516222 /nfs/dbraw/zinc/51/62/22/1205516222.db2.gz QNERRGKOOFBGFJ-UHFFFAOYSA-N 1 2 388.516 0.536 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COc2ccc(F)nc2C#N)CC1 ZINC000808046492 1205598537 /nfs/dbraw/zinc/59/85/37/1205598537.db2.gz UPTBQTARSRQRKJ-UHFFFAOYSA-N 1 2 396.386 0.497 20 30 GCEDLO C#CCNC(=O)C1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000747563084 1205626229 /nfs/dbraw/zinc/62/62/29/1205626229.db2.gz QVDOCWAOJDUJNO-UHFFFAOYSA-N 1 2 388.472 0.209 20 30 GCEDLO NC(=NOCc1nnn(CC(F)(F)F)n1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000809995293 1205632464 /nfs/dbraw/zinc/63/24/64/1205632464.db2.gz ORJGNKUPMVAOMD-UHFFFAOYSA-N 1 2 399.377 0.905 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCn2c(C)cc(=O)cc2C)CC1 ZINC000810352063 1205636234 /nfs/dbraw/zinc/63/62/34/1205636234.db2.gz GOEKOKJCAUOBDD-UHFFFAOYSA-N 1 2 386.496 0.529 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCn2c(C)cc(=O)cc2C)CC1 ZINC000810352063 1205636235 /nfs/dbraw/zinc/63/62/35/1205636235.db2.gz GOEKOKJCAUOBDD-UHFFFAOYSA-N 1 2 386.496 0.529 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc3n2c2ccccc2c(=O)n3C)CC1 ZINC000747820265 1205668660 /nfs/dbraw/zinc/66/86/60/1205668660.db2.gz RGRLMZZKYSCHNK-UHFFFAOYSA-N 1 2 378.436 0.543 20 30 GCEDLO CS(=O)(=O)N1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173431132 1205721119 /nfs/dbraw/zinc/72/11/19/1205721119.db2.gz CXPBJWWOCWSNRV-UHFFFAOYSA-N 1 2 376.482 0.740 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001110183149 1205736435 /nfs/dbraw/zinc/73/64/35/1205736435.db2.gz LMMLBPCHOUTDJD-UKMLZYKCSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001110183149 1205736437 /nfs/dbraw/zinc/73/64/37/1205736437.db2.gz LMMLBPCHOUTDJD-UKMLZYKCSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001110185785 1205737421 /nfs/dbraw/zinc/73/74/21/1205737421.db2.gz LXWUKNABMYCTOS-WCVJEAGWSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001110185785 1205737423 /nfs/dbraw/zinc/73/74/23/1205737423.db2.gz LXWUKNABMYCTOS-WCVJEAGWSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001110186063 1205737497 /nfs/dbraw/zinc/73/74/97/1205737497.db2.gz UNTGOQVYPJMYMN-XGUBFFRZSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001110186063 1205737499 /nfs/dbraw/zinc/73/74/99/1205737499.db2.gz UNTGOQVYPJMYMN-XGUBFFRZSA-N 1 2 380.489 0.923 20 30 GCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001176353867 1205746603 /nfs/dbraw/zinc/74/66/03/1205746603.db2.gz ICZMLEDXBSOBFM-HUUCEWRRSA-N 1 2 390.444 0.428 20 30 GCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001176353867 1205746605 /nfs/dbraw/zinc/74/66/05/1205746605.db2.gz ICZMLEDXBSOBFM-HUUCEWRRSA-N 1 2 390.444 0.428 20 30 GCEDLO CCOC(=O)CO/N=C(\C(=O)N(CCOC)C1CC[NH+](C)CC1)c1cc[nH]n1 ZINC001177259058 1205764104 /nfs/dbraw/zinc/76/41/04/1205764104.db2.gz ZETQKZCMTAKWJG-FXBPSFAMSA-N 1 2 395.460 0.263 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnn3)c1)C2 ZINC001110203558 1205766870 /nfs/dbraw/zinc/76/68/70/1205766870.db2.gz FYRUVHBELSPMHT-NJAFHUGGSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnn3)c1)C2 ZINC001110203558 1205766871 /nfs/dbraw/zinc/76/68/71/1205766871.db2.gz FYRUVHBELSPMHT-NJAFHUGGSA-N 1 2 378.436 0.352 20 30 GCEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)Cc1ccnc(C#N)c1 ZINC001177667474 1205773581 /nfs/dbraw/zinc/77/35/81/1205773581.db2.gz UYUPZVAJPIDSHM-PXNSSMCTSA-N 1 2 386.452 0.751 20 30 GCEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)Cc1ccnc(C#N)c1 ZINC001177667475 1205773674 /nfs/dbraw/zinc/77/36/74/1205773674.db2.gz UYUPZVAJPIDSHM-XLIONFOSSA-N 1 2 386.452 0.751 20 30 GCEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C#Cc1cccnc1)CC2 ZINC001177776621 1205775252 /nfs/dbraw/zinc/77/52/52/1205775252.db2.gz BBXJBKOHJUNKTG-UHFFFAOYSA-N 1 2 392.463 0.139 20 30 GCEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001179591409 1205812262 /nfs/dbraw/zinc/81/22/62/1205812262.db2.gz VGLUZKRNYNCXSD-KBPBESRZSA-N 1 2 378.429 0.917 20 30 GCEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001179591409 1205812263 /nfs/dbraw/zinc/81/22/63/1205812263.db2.gz VGLUZKRNYNCXSD-KBPBESRZSA-N 1 2 378.429 0.917 20 30 GCEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)C1 ZINC001180757451 1205830998 /nfs/dbraw/zinc/83/09/98/1205830998.db2.gz UPHDHEIEPZPGKM-OAHLLOKOSA-N 1 2 389.437 0.417 20 30 GCEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)C1 ZINC001180757451 1205831000 /nfs/dbraw/zinc/83/10/00/1205831000.db2.gz UPHDHEIEPZPGKM-OAHLLOKOSA-N 1 2 389.437 0.417 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(=C/c2cccs2)NC(C)=O)CC1 ZINC000817530092 1205850232 /nfs/dbraw/zinc/85/02/32/1205850232.db2.gz UYKDZGGLBXKMBH-LGMDPLHJSA-N 1 2 388.493 0.509 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(=C/c2cccs2)NC(C)=O)CC1 ZINC000817530092 1205850234 /nfs/dbraw/zinc/85/02/34/1205850234.db2.gz UYKDZGGLBXKMBH-LGMDPLHJSA-N 1 2 388.493 0.509 20 30 GCEDLO CN1CCN(C2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3C#N)C2)CC1=O ZINC001183832973 1205901133 /nfs/dbraw/zinc/90/11/33/1205901133.db2.gz ZFBHNIRCLYNSNS-HXUWFJFHSA-N 1 2 395.507 0.898 20 30 GCEDLO CN1CCN(C2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3C#N)C2)CC1=O ZINC001183832973 1205901134 /nfs/dbraw/zinc/90/11/34/1205901134.db2.gz ZFBHNIRCLYNSNS-HXUWFJFHSA-N 1 2 395.507 0.898 20 30 GCEDLO C[N@H+](CC(=O)N(O)C(=N)c1nonc1N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183805315 1205901186 /nfs/dbraw/zinc/90/11/86/1205901186.db2.gz MZTSDVNRLZIJCJ-JTQLQIEISA-N 1 2 397.436 0.526 20 30 GCEDLO C[N@@H+](CC(=O)N(O)C(=N)c1nonc1N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183805315 1205901187 /nfs/dbraw/zinc/90/11/87/1205901187.db2.gz MZTSDVNRLZIJCJ-JTQLQIEISA-N 1 2 397.436 0.526 20 30 GCEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCOC1)C2)NCC#Cc1ccccc1 ZINC001110357017 1205916483 /nfs/dbraw/zinc/91/64/83/1205916483.db2.gz BKHXEBDMWDFIPH-WTGUMLROSA-N 1 2 381.476 0.912 20 30 GCEDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCOC1)C2)NCC#Cc1ccccc1 ZINC001110357017 1205916485 /nfs/dbraw/zinc/91/64/85/1205916485.db2.gz BKHXEBDMWDFIPH-WTGUMLROSA-N 1 2 381.476 0.912 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110366324 1205926753 /nfs/dbraw/zinc/92/67/53/1205926753.db2.gz PHPLTYKXAFUOHY-XZDPQHSOSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110366324 1205926754 /nfs/dbraw/zinc/92/67/54/1205926754.db2.gz PHPLTYKXAFUOHY-XZDPQHSOSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCN(C(C)=O)CC1 ZINC001110377374 1205936666 /nfs/dbraw/zinc/93/66/66/1205936666.db2.gz HYDCDTWDZBQUBG-KURKYZTESA-N 1 2 376.501 0.801 20 30 GCEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCN(C(C)=O)CC1 ZINC001110377374 1205936667 /nfs/dbraw/zinc/93/66/67/1205936667.db2.gz HYDCDTWDZBQUBG-KURKYZTESA-N 1 2 376.501 0.801 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC001110401845 1205990953 /nfs/dbraw/zinc/99/09/53/1205990953.db2.gz PKUZQUQXKNQDES-ZDCRXTMVSA-N 1 2 375.351 0.256 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC001110401845 1205990957 /nfs/dbraw/zinc/99/09/57/1205990957.db2.gz PKUZQUQXKNQDES-ZDCRXTMVSA-N 1 2 375.351 0.256 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCCC)C2 ZINC001110412634 1206013156 /nfs/dbraw/zinc/01/31/56/1206013156.db2.gz VUUFOSKDEXTUNC-FPCVCCKLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCCC)C2 ZINC001110412634 1206013159 /nfs/dbraw/zinc/01/31/59/1206013159.db2.gz VUUFOSKDEXTUNC-FPCVCCKLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110424171 1206029325 /nfs/dbraw/zinc/02/93/25/1206029325.db2.gz IUROCLFXBKLBSG-OAGGEKHMSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001110424171 1206029328 /nfs/dbraw/zinc/02/93/28/1206029328.db2.gz IUROCLFXBKLBSG-OAGGEKHMSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110424198 1206029387 /nfs/dbraw/zinc/02/93/87/1206029387.db2.gz JRAOHEXRTXTQRX-XDNAFOTISA-N 1 2 379.501 0.986 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001110424198 1206029391 /nfs/dbraw/zinc/02/93/91/1206029391.db2.gz JRAOHEXRTXTQRX-XDNAFOTISA-N 1 2 379.501 0.986 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001110424761 1206030097 /nfs/dbraw/zinc/03/00/97/1206030097.db2.gz XMLXNOVPEAXXGF-KURKYZTESA-N 1 2 379.501 0.986 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001110424761 1206030100 /nfs/dbraw/zinc/03/01/00/1206030100.db2.gz XMLXNOVPEAXXGF-KURKYZTESA-N 1 2 379.501 0.986 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCCO1)C2 ZINC001110430741 1206045553 /nfs/dbraw/zinc/04/55/53/1206045553.db2.gz MRIIICJLSSZDKG-FPCVCCKLSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCCO1)C2 ZINC001110430741 1206045556 /nfs/dbraw/zinc/04/55/56/1206045556.db2.gz MRIIICJLSSZDKG-FPCVCCKLSA-N 1 2 378.473 0.679 20 30 GCEDLO Cc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cnc1C#N ZINC001164708075 719920290 /nfs/dbraw/zinc/92/02/90/719920290.db2.gz BKPPCSDGXAQWNA-UHFFFAOYSA-N 1 2 380.456 0.341 20 30 GCEDLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(C#N)n1 ZINC001164832243 720458125 /nfs/dbraw/zinc/45/81/25/720458125.db2.gz RSJFFYQAPGDBFA-INIZCTEOSA-N 1 2 397.483 0.843 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001571272060 945654088 /nfs/dbraw/zinc/65/40/88/945654088.db2.gz OAKSVIXZDKSZNT-LBPRGKRZSA-N 1 2 386.485 0.416 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(Nc2snc(C)c2-c2nn[nH]n2)CC1 ZINC001573286026 946793099 /nfs/dbraw/zinc/79/30/99/946793099.db2.gz RUORQODQYSZEEG-LBPRGKRZSA-N 1 2 386.485 0.790 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(Nc2snc(C)c2-c2nn[nH]n2)CC1 ZINC001573286026 946793104 /nfs/dbraw/zinc/79/31/04/946793104.db2.gz RUORQODQYSZEEG-LBPRGKRZSA-N 1 2 386.485 0.790 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001573286153 946796146 /nfs/dbraw/zinc/79/61/46/946796146.db2.gz UYBLFTRNORRTTM-HNNXBMFYSA-N 1 2 383.460 0.323 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001573286153 946796155 /nfs/dbraw/zinc/79/61/55/946796155.db2.gz UYBLFTRNORRTTM-HNNXBMFYSA-N 1 2 383.460 0.323 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001573564759 946996352 /nfs/dbraw/zinc/99/63/52/946996352.db2.gz KHNPHVDJZQXDQD-HIFRSBDPSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001573564756 946996434 /nfs/dbraw/zinc/99/64/34/946996434.db2.gz KHNPHVDJZQXDQD-DZGCQCFKSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccc(-c3nn[nH]n3)s1)CCO2 ZINC001573567274 947040115 /nfs/dbraw/zinc/04/01/15/947040115.db2.gz KZGQPCZRZLVRTO-SJKOYZFVSA-N 1 2 387.469 0.891 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccc(-c3nn[nH]n3)s1)CCO2 ZINC001573567274 947040127 /nfs/dbraw/zinc/04/01/27/947040127.db2.gz KZGQPCZRZLVRTO-SJKOYZFVSA-N 1 2 387.469 0.891 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001571180980 952861642 /nfs/dbraw/zinc/86/16/42/952861642.db2.gz RZEADDNLFFRYDY-ZIAGYGMSSA-N 1 2 381.444 0.144 20 30 GCEDLO C=C(CCC(=O)[O-])C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001573324983 962791000 /nfs/dbraw/zinc/79/10/00/962791000.db2.gz AJIIFLCIOJTOJU-UHFFFAOYSA-N 1 2 380.489 0.104 20 30 GCEDLO N#C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCO1 ZINC000409488401 530229378 /nfs/dbraw/zinc/22/93/78/530229378.db2.gz ZHXCUCUFRABSMX-OAHLLOKOSA-N 1 2 384.889 0.927 20 30 GCEDLO CNS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000298683557 530309218 /nfs/dbraw/zinc/30/92/18/530309218.db2.gz ZBSJMTBXLSMNQY-CYBMUJFWSA-N 1 2 383.499 0.243 20 30 GCEDLO N#CC[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000580216851 530345397 /nfs/dbraw/zinc/34/53/97/530345397.db2.gz JOOUFJPKXFVAJF-RYUDHWBXSA-N 1 2 375.476 0.543 20 30 GCEDLO C[C@H](NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000330632821 530523156 /nfs/dbraw/zinc/52/31/56/530523156.db2.gz IVBDJTKFTKOORC-SOUVJXGZSA-N 1 2 376.523 0.271 20 30 GCEDLO CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2c[nH+]cn2C)cc1 ZINC000563426604 530526317 /nfs/dbraw/zinc/52/63/17/530526317.db2.gz HXVORHOWGYVBGS-UHFFFAOYSA-N 1 2 383.455 0.043 20 30 GCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2nc(C)n(C)c2Br)CC1 ZINC000286533813 530561631 /nfs/dbraw/zinc/56/16/31/530561631.db2.gz GQKBNXQKPADAHH-UHFFFAOYSA-N 1 2 375.292 0.821 20 30 GCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267598160 530586786 /nfs/dbraw/zinc/58/67/86/530586786.db2.gz KYSROYVBODWZEU-GXTWGEPZSA-N 1 2 382.511 0.986 20 30 GCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267598160 530586790 /nfs/dbraw/zinc/58/67/90/530586790.db2.gz KYSROYVBODWZEU-GXTWGEPZSA-N 1 2 382.511 0.986 20 30 GCEDLO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000329915216 530622911 /nfs/dbraw/zinc/62/29/11/530622911.db2.gz CZIPTBWCTWDTCY-GFCCVEGCSA-N 1 2 391.515 0.642 20 30 GCEDLO O=C(C[N@H+]1CCSC2(CCOCC2)C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000329915216 530622913 /nfs/dbraw/zinc/62/29/13/530622913.db2.gz CZIPTBWCTWDTCY-GFCCVEGCSA-N 1 2 391.515 0.642 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000349539309 530681446 /nfs/dbraw/zinc/68/14/46/530681446.db2.gz VUGAIVMHUXCKSU-JHJVBQTASA-N 1 2 389.503 0.372 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C[C@H](C)[N@H+]1C ZINC000580724802 530742427 /nfs/dbraw/zinc/74/24/27/530742427.db2.gz KNRLVTFXPDYSBQ-BETUJISGSA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C[C@H](C)[N@@H+]1C ZINC000580724802 530742430 /nfs/dbraw/zinc/74/24/30/530742430.db2.gz KNRLVTFXPDYSBQ-BETUJISGSA-N 1 2 386.499 0.202 20 30 GCEDLO C=CCN1CC[C@H]([NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)C1=O ZINC000499720418 530856453 /nfs/dbraw/zinc/85/64/53/530856453.db2.gz RRSMDPWUMQSGKU-LBPRGKRZSA-N 1 2 384.424 0.224 20 30 GCEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419698701 530862373 /nfs/dbraw/zinc/86/23/73/530862373.db2.gz ZTGFARCIZXKKLV-NSHDSACASA-N 1 2 395.257 0.784 20 30 GCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C[C@@H]1C ZINC000349469890 530891114 /nfs/dbraw/zinc/89/11/14/530891114.db2.gz LIUAPNOLQKUXME-ZDUSSCGKSA-N 1 2 386.499 0.203 20 30 GCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C[C@@H]1C ZINC000349469890 530891115 /nfs/dbraw/zinc/89/11/15/530891115.db2.gz LIUAPNOLQKUXME-ZDUSSCGKSA-N 1 2 386.499 0.203 20 30 GCEDLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509421927 530918064 /nfs/dbraw/zinc/91/80/64/530918064.db2.gz AOVBBVAIXZVKHT-GJZGRUSLSA-N 1 2 394.563 0.296 20 30 GCEDLO CC(C)NS(=O)(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000331309510 530918889 /nfs/dbraw/zinc/91/88/89/530918889.db2.gz HDJXNKFBKUHYDD-UHFFFAOYSA-N 1 2 385.515 0.809 20 30 GCEDLO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000471046261 530921452 /nfs/dbraw/zinc/92/14/52/530921452.db2.gz DPGMWCGFDNAOPA-UHFFFAOYSA-N 1 2 385.877 0.056 20 30 GCEDLO CS(=O)(=O)NCC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000285380582 530926789 /nfs/dbraw/zinc/92/67/89/530926789.db2.gz GQVQREUGXUBMBO-UHFFFAOYSA-N 1 2 385.511 0.593 20 30 GCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000522861346 530978153 /nfs/dbraw/zinc/97/81/53/530978153.db2.gz WEVBETNWKFLSOI-UHFFFAOYSA-N 1 2 386.499 0.012 20 30 GCEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000060366461 531049714 /nfs/dbraw/zinc/04/97/14/531049714.db2.gz FGXUZNTZIHNAEB-UHFFFAOYSA-N 1 2 386.499 0.334 20 30 GCEDLO C=CCNC(=O)C[NH+]1CCN(c2c3ccccc3nnc2-c2nn[nH]n2)CC1 ZINC000735433092 598934081 /nfs/dbraw/zinc/93/40/81/598934081.db2.gz ZAHCEYVTEQDYIR-UHFFFAOYSA-N 1 2 379.428 0.234 20 30 GCEDLO C=CC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000819744194 599638255 /nfs/dbraw/zinc/63/82/55/599638255.db2.gz ZNXPNOCLTYYNLN-OAHLLOKOSA-N 1 2 390.469 0.870 20 30 GCEDLO C=CC[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000819744194 599638256 /nfs/dbraw/zinc/63/82/56/599638256.db2.gz ZNXPNOCLTYYNLN-OAHLLOKOSA-N 1 2 390.469 0.870 20 30 GCEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000820788361 606911601 /nfs/dbraw/zinc/91/16/01/606911601.db2.gz FEGAXYPRQVZRMC-BBRMVZONSA-N 1 2 391.439 0.772 20 30 GCEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000820788361 606911602 /nfs/dbraw/zinc/91/16/02/606911602.db2.gz FEGAXYPRQVZRMC-BBRMVZONSA-N 1 2 391.439 0.772 20 30 GCEDLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000826116560 608036332 /nfs/dbraw/zinc/03/63/32/608036332.db2.gz ASPUHJJMLMJLHA-HNNXBMFYSA-N 1 2 395.427 0.822 20 30 GCEDLO COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000826116560 608036333 /nfs/dbraw/zinc/03/63/33/608036333.db2.gz ASPUHJJMLMJLHA-HNNXBMFYSA-N 1 2 395.427 0.822 20 30 GCEDLO CN(CCC#N)C(=O)CC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825914769 608204468 /nfs/dbraw/zinc/20/44/68/608204468.db2.gz NGPNFPCDCRLNDG-UHFFFAOYSA-N 1 2 399.459 0.616 20 30 GCEDLO C=CC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000731214088 639757034 /nfs/dbraw/zinc/75/70/34/639757034.db2.gz AMKPMOYEVRGDNX-OJNRTJSBSA-N 1 2 388.511 0.641 20 30 GCEDLO C=CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000731214088 639757041 /nfs/dbraw/zinc/75/70/41/639757041.db2.gz AMKPMOYEVRGDNX-OJNRTJSBSA-N 1 2 388.511 0.641 20 30 GCEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000755005006 640462967 /nfs/dbraw/zinc/46/29/67/640462967.db2.gz NLGIDOCFPKEFDX-UHFFFAOYSA-N 1 2 386.499 0.127 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000874382884 641524748 /nfs/dbraw/zinc/52/47/48/641524748.db2.gz LOEODMJIHXTGGP-UHFFFAOYSA-N 1 2 394.273 0.324 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(N)nc(Br)c2)CC1 ZINC000874382884 641524755 /nfs/dbraw/zinc/52/47/55/641524755.db2.gz LOEODMJIHXTGGP-UHFFFAOYSA-N 1 2 394.273 0.324 20 30 GCEDLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834494078 642213511 /nfs/dbraw/zinc/21/35/11/642213511.db2.gz JTMBWYCYLKOGDI-ONGXEEELSA-N 1 2 380.455 0.124 20 30 GCEDLO N#CCN1CCC(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000585691833 1192372987 /nfs/dbraw/zinc/37/29/87/1192372987.db2.gz DWNFMCBOCOJPEH-UHFFFAOYSA-N 1 2 399.495 0.239 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279287334 1192500440 /nfs/dbraw/zinc/50/04/40/1192500440.db2.gz LECVDNHTGAUMBV-LSDHHAIUSA-N 1 2 394.497 0.404 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000279382236 1192533547 /nfs/dbraw/zinc/53/35/47/1192533547.db2.gz UJDKPPMDEFMBCS-GJZGRUSLSA-N 1 2 394.497 0.404 20 30 GCEDLO C=CCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000432551724 1192552312 /nfs/dbraw/zinc/55/23/12/1192552312.db2.gz ADQAWTKDHZOTKT-UHFFFAOYSA-N 1 2 387.550 0.408 20 30 GCEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000051535821 1192744615 /nfs/dbraw/zinc/74/46/15/1192744615.db2.gz HAKHOLPMCOIGDF-UHFFFAOYSA-N 1 2 392.481 0.113 20 30 GCEDLO C#CCSCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000888944041 1192783361 /nfs/dbraw/zinc/78/33/61/1192783361.db2.gz QFCVDWRXAQBWIA-HNNXBMFYSA-N 1 2 375.498 0.765 20 30 GCEDLO C#CCSCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000888944041 1192783367 /nfs/dbraw/zinc/78/33/67/1192783367.db2.gz QFCVDWRXAQBWIA-HNNXBMFYSA-N 1 2 375.498 0.765 20 30 GCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3nnc4n3CCOC4)CC2)cc1 ZINC000616352690 1184128142 /nfs/dbraw/zinc/12/81/42/1184128142.db2.gz OVXGSICLXAYKEY-UHFFFAOYSA-N 1 2 381.440 0.707 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000784905147 1184129596 /nfs/dbraw/zinc/12/95/96/1184129596.db2.gz BSMMQWVWRSFXCG-UONOGXRCSA-N 1 2 381.454 0.489 20 30 GCEDLO C[C@H](CC(=O)O[C@@H](C)C[NH+]1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000784918648 1184161947 /nfs/dbraw/zinc/16/19/47/1184161947.db2.gz MNCUZUNVBFANDP-KGLIPLIRSA-N 1 2 395.481 0.768 20 30 GCEDLO C#CCN(C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1)C1CC1 ZINC000784918786 1184172951 /nfs/dbraw/zinc/17/29/51/1184172951.db2.gz WZRXUWZHUBHSNG-UHFFFAOYSA-N 1 2 382.464 0.913 20 30 GCEDLO CN1CCN(c2cc(N3CCN(c4ccccc4C#N)CC3)[nH+]cn2)CC1=O ZINC000274706338 1184198715 /nfs/dbraw/zinc/19/87/15/1184198715.db2.gz APLXNOOSVMSVST-UHFFFAOYSA-N 1 2 377.452 0.953 20 30 GCEDLO CN1CCN(c2cc(N3CCN(c4ccccc4C#N)CC3)nc[nH+]2)CC1=O ZINC000274706338 1184198719 /nfs/dbraw/zinc/19/87/19/1184198719.db2.gz APLXNOOSVMSVST-UHFFFAOYSA-N 1 2 377.452 0.953 20 30 GCEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000784924912 1184223987 /nfs/dbraw/zinc/22/39/87/1184223987.db2.gz VXLNBCHPVXZTLV-UHFFFAOYSA-N 1 2 394.475 0.774 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154780885 1184470260 /nfs/dbraw/zinc/47/02/60/1184470260.db2.gz GTZAEGKHPFRROU-AWEZNQCLSA-N 1 2 375.454 0.970 20 30 GCEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083194781 1184527147 /nfs/dbraw/zinc/52/71/47/1184527147.db2.gz JIDKZKGVFCVUQL-VSZNYVQBSA-N 1 2 387.867 0.725 20 30 GCEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001083194781 1184527152 /nfs/dbraw/zinc/52/71/52/1184527152.db2.gz JIDKZKGVFCVUQL-VSZNYVQBSA-N 1 2 387.867 0.725 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn(C)nc2-c2cnn(CC)c2)CC1 ZINC000275216911 1184557633 /nfs/dbraw/zinc/55/76/33/1184557633.db2.gz CUGQYHFQOJTLDJ-UHFFFAOYSA-N 1 2 397.483 0.201 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn(C)nc2-c2cnn(CC)c2)CC1 ZINC000275216911 1184557637 /nfs/dbraw/zinc/55/76/37/1184557637.db2.gz CUGQYHFQOJTLDJ-UHFFFAOYSA-N 1 2 397.483 0.201 20 30 GCEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000328647552 1184580575 /nfs/dbraw/zinc/58/05/75/1184580575.db2.gz HONWWGBYWKTPDT-MRXNPFEDSA-N 1 2 375.473 0.999 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000328647081 1184580590 /nfs/dbraw/zinc/58/05/90/1184580590.db2.gz HHEABGZCLUQNGJ-QGZVFWFLSA-N 1 2 381.521 0.251 20 30 GCEDLO CCn1c(=O)c(=Cc2cc(OC)cc(C)[nH+]2)sc1=C(C#N)C(=O)[C@H]1CCOC1 ZINC000547962745 1184816311 /nfs/dbraw/zinc/81/63/11/1184816311.db2.gz ZWVKGXNUQLQJFU-ZDUSSCGKSA-N 1 2 399.472 0.750 20 30 GCEDLO COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275738522 1184992808 /nfs/dbraw/zinc/99/28/08/1184992808.db2.gz WGPHKOZJTMSXLV-CQSZACIVSA-N 1 2 390.440 0.047 20 30 GCEDLO N#Cc1cccc(CS(=O)(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261722055 1185245139 /nfs/dbraw/zinc/24/51/39/1185245139.db2.gz KVEXZKFQUJLODA-UHFFFAOYSA-N 1 2 386.481 0.962 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000275900347 1185257216 /nfs/dbraw/zinc/25/72/16/1185257216.db2.gz JDXVRZVSCPYBCZ-LBPRGKRZSA-N 1 2 376.388 0.732 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000275900347 1185257225 /nfs/dbraw/zinc/25/72/25/1185257225.db2.gz JDXVRZVSCPYBCZ-LBPRGKRZSA-N 1 2 376.388 0.732 20 30 GCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000276100715 1185572170 /nfs/dbraw/zinc/57/21/70/1185572170.db2.gz QLUZSYKGAHWYQM-CQSZACIVSA-N 1 2 380.832 0.302 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000276100710 1185572699 /nfs/dbraw/zinc/57/26/99/1185572699.db2.gz QLUZSYKGAHWYQM-AWEZNQCLSA-N 1 2 380.832 0.302 20 30 GCEDLO CCOC(=O)CON=C(C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccn[nH]1 ZINC000276536763 1185875825 /nfs/dbraw/zinc/87/58/25/1185875825.db2.gz FRDJGFHUFJEFQF-HGNXGAGXSA-N 1 2 393.444 0.017 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000891608028 1185938941 /nfs/dbraw/zinc/93/89/41/1185938941.db2.gz UKHLCKNQLKEDNR-GOSISDBHSA-N 1 2 384.480 0.671 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000891608028 1185938947 /nfs/dbraw/zinc/93/89/47/1185938947.db2.gz UKHLCKNQLKEDNR-GOSISDBHSA-N 1 2 384.480 0.671 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000891607972 1185939043 /nfs/dbraw/zinc/93/90/43/1185939043.db2.gz RZVUFJWOVGKXJO-GOSISDBHSA-N 1 2 393.447 0.444 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1 ZINC000891607972 1185939050 /nfs/dbraw/zinc/93/90/50/1185939050.db2.gz RZVUFJWOVGKXJO-GOSISDBHSA-N 1 2 393.447 0.444 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)C1 ZINC000891608169 1185939219 /nfs/dbraw/zinc/93/92/19/1185939219.db2.gz XMLIDKLQEVMKJU-QGZVFWFLSA-N 1 2 383.452 0.835 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)C1 ZINC000891608169 1185939224 /nfs/dbraw/zinc/93/92/24/1185939224.db2.gz XMLIDKLQEVMKJU-QGZVFWFLSA-N 1 2 383.452 0.835 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)C1 ZINC000891608168 1185939331 /nfs/dbraw/zinc/93/93/31/1185939331.db2.gz XMLIDKLQEVMKJU-KRWDZBQOSA-N 1 2 383.452 0.835 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)C1 ZINC000891608168 1185939333 /nfs/dbraw/zinc/93/93/33/1185939333.db2.gz XMLIDKLQEVMKJU-KRWDZBQOSA-N 1 2 383.452 0.835 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000891605860 1185940051 /nfs/dbraw/zinc/94/00/51/1185940051.db2.gz ATIRBQRAPSFPBX-SFHVURJKSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000891605860 1185940054 /nfs/dbraw/zinc/94/00/54/1185940054.db2.gz ATIRBQRAPSFPBX-SFHVURJKSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)C1 ZINC000891606519 1185940231 /nfs/dbraw/zinc/94/02/31/1185940231.db2.gz OKVGUNAYWNXBEN-MRXNPFEDSA-N 1 2 398.463 0.974 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)C1 ZINC000891606519 1185940233 /nfs/dbraw/zinc/94/02/33/1185940233.db2.gz OKVGUNAYWNXBEN-MRXNPFEDSA-N 1 2 398.463 0.974 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000891606040 1185940272 /nfs/dbraw/zinc/94/02/72/1185940272.db2.gz JRGSZHXGUDAWED-HNNXBMFYSA-N 1 2 392.481 0.089 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000891606040 1185940275 /nfs/dbraw/zinc/94/02/75/1185940275.db2.gz JRGSZHXGUDAWED-HNNXBMFYSA-N 1 2 392.481 0.089 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000891605992 1185940295 /nfs/dbraw/zinc/94/02/95/1185940295.db2.gz JERZLOFQTGGZLD-NSHDSACASA-N 1 2 399.419 0.521 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1 ZINC000891605992 1185940297 /nfs/dbraw/zinc/94/02/97/1185940297.db2.gz JERZLOFQTGGZLD-NSHDSACASA-N 1 2 399.419 0.521 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(OCCOC)c2)C1 ZINC000891605888 1185940367 /nfs/dbraw/zinc/94/03/67/1185940367.db2.gz BMZNIFUBKBFQDW-MRXNPFEDSA-N 1 2 389.452 0.873 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(OCCOC)c2)C1 ZINC000891605888 1185940372 /nfs/dbraw/zinc/94/03/72/1185940372.db2.gz BMZNIFUBKBFQDW-MRXNPFEDSA-N 1 2 389.452 0.873 20 30 GCEDLO O=C(CCNC(=O)[C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328886841 1186005571 /nfs/dbraw/zinc/00/55/71/1186005571.db2.gz OCUVTVSBMSQVLY-AWEZNQCLSA-N 1 2 380.470 0.512 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001691200208 1186026869 /nfs/dbraw/zinc/02/68/69/1186026869.db2.gz QFQCEJYKFRSNBR-HCXYKTFWSA-N 1 2 382.464 0.801 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC001691200208 1186026873 /nfs/dbraw/zinc/02/68/73/1186026873.db2.gz QFQCEJYKFRSNBR-HCXYKTFWSA-N 1 2 382.464 0.801 20 30 GCEDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000127390052 1186111545 /nfs/dbraw/zinc/11/15/45/1186111545.db2.gz QADLLCQDOQQVQJ-UHFFFAOYSA-N 1 2 378.498 0.968 20 30 GCEDLO C#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000276952565 1186173066 /nfs/dbraw/zinc/17/30/66/1186173066.db2.gz LDJSOVBTCDHLSL-UHFFFAOYSA-N 1 2 377.466 0.287 20 30 GCEDLO C#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000276952565 1186173069 /nfs/dbraw/zinc/17/30/69/1186173069.db2.gz LDJSOVBTCDHLSL-UHFFFAOYSA-N 1 2 377.466 0.287 20 30 GCEDLO N#CCN1CCC(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000610806315 1186227335 /nfs/dbraw/zinc/22/73/35/1186227335.db2.gz NOSXWQQEEVBCNN-UHFFFAOYSA-N 1 2 384.484 0.615 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610805433 1186228384 /nfs/dbraw/zinc/22/83/84/1186228384.db2.gz YETQNRSDXQMDKM-CYBMUJFWSA-N 1 2 386.433 0.910 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000277127377 1186248751 /nfs/dbraw/zinc/24/87/51/1186248751.db2.gz ZZXJTDKDWPHJMQ-UHFFFAOYSA-N 1 2 384.425 0.141 20 30 GCEDLO COc1cc(C)c(C[NH+]2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1OC ZINC000014144051 1186324437 /nfs/dbraw/zinc/32/44/37/1186324437.db2.gz MAOPSKCPGPJXCG-UHFFFAOYSA-N 1 2 384.440 0.820 20 30 GCEDLO N#Cc1ccc(C(=O)NCC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000264002016 1186495147 /nfs/dbraw/zinc/49/51/47/1186495147.db2.gz AUROKOMWHJGBIQ-UHFFFAOYSA-N 1 2 382.424 0.455 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C2(O)CCC2)CC3)CC1 ZINC000329081864 1186573923 /nfs/dbraw/zinc/57/39/23/1186573923.db2.gz DILXXYUOYFUSML-AWEZNQCLSA-N 1 2 375.473 0.705 20 30 GCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000329107371 1186656271 /nfs/dbraw/zinc/65/62/71/1186656271.db2.gz DVNNBQPKVHHDCR-UHFFFAOYSA-N 1 2 388.428 0.158 20 30 GCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000329107371 1186656277 /nfs/dbraw/zinc/65/62/77/1186656277.db2.gz DVNNBQPKVHHDCR-UHFFFAOYSA-N 1 2 388.428 0.158 20 30 GCEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000536015747 1186848903 /nfs/dbraw/zinc/84/89/03/1186848903.db2.gz KSLOFPOKSBJCJX-UHFFFAOYSA-N 1 2 376.438 0.369 20 30 GCEDLO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329232039 1186880343 /nfs/dbraw/zinc/88/03/43/1186880343.db2.gz LBEBNFDTQUHOTO-ZNMIVQPWSA-N 1 2 378.477 0.968 20 30 GCEDLO Cn1cnc2c1c(=O)n(CC(=O)NCCc1cn3c([nH+]1)CCCC3)c(=O)n2C ZINC000329461084 1186944142 /nfs/dbraw/zinc/94/41/42/1186944142.db2.gz SLVXGSUABCJUQZ-UHFFFAOYSA-N 1 2 385.428 0.166 20 30 GCEDLO N#C[C@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CCN1Cc1ccccc1 ZINC000584458230 1187077441 /nfs/dbraw/zinc/07/74/41/1187077441.db2.gz ZCBZGMRNADBOQE-SFHVURJKSA-N 1 2 380.452 0.626 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1O ZINC001023915914 1187168641 /nfs/dbraw/zinc/16/86/41/1187168641.db2.gz JHKIUUJRLLLVNR-HWMZRRJGSA-N 1 2 390.484 0.747 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1O ZINC001023942472 1187182344 /nfs/dbraw/zinc/18/23/44/1187182344.db2.gz YNWGOMUIOZGMKZ-MKSNKDDYSA-N 1 2 389.452 0.302 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001024082337 1187235855 /nfs/dbraw/zinc/23/58/55/1187235855.db2.gz AICPZCXIXLMLHX-VQHPVUNQSA-N 1 2 388.468 0.041 20 30 GCEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cc1 ZINC000785215674 1187312560 /nfs/dbraw/zinc/31/25/60/1187312560.db2.gz HCRGGQGKNWRCTO-OAHLLOKOSA-N 1 2 387.436 0.733 20 30 GCEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cc1 ZINC000785215674 1187312563 /nfs/dbraw/zinc/31/25/63/1187312563.db2.gz HCRGGQGKNWRCTO-OAHLLOKOSA-N 1 2 387.436 0.733 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001024384379 1187371717 /nfs/dbraw/zinc/37/17/17/1187371717.db2.gz VDKPHQXAUAHTMO-HZMVEIRTSA-N 1 2 390.484 0.596 20 30 GCEDLO CC(C)(C)N1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000329945372 1187480766 /nfs/dbraw/zinc/48/07/66/1187480766.db2.gz FTGUYTCOODDYIR-AWEZNQCLSA-N 1 2 378.477 0.941 20 30 GCEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000581600756 1187717329 /nfs/dbraw/zinc/71/73/29/1187717329.db2.gz NVYSQYOMNOPGNV-ZDUSSCGKSA-N 1 2 390.407 0.827 20 30 GCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000414108597 1187717628 /nfs/dbraw/zinc/71/76/28/1187717628.db2.gz MBVQPMQXUREHHK-LIRRHRJNSA-N 1 2 388.424 0.431 20 30 GCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000414108597 1187717633 /nfs/dbraw/zinc/71/76/33/1187717633.db2.gz MBVQPMQXUREHHK-LIRRHRJNSA-N 1 2 388.424 0.431 20 30 GCEDLO C#CCCCS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000376291113 1187751314 /nfs/dbraw/zinc/75/13/14/1187751314.db2.gz WTQOXVWEGUOYAH-INIZCTEOSA-N 1 2 393.513 0.615 20 30 GCEDLO C#CCCCS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000376291113 1187751319 /nfs/dbraw/zinc/75/13/19/1187751319.db2.gz WTQOXVWEGUOYAH-INIZCTEOSA-N 1 2 393.513 0.615 20 30 GCEDLO C[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000189185969 1187927296 /nfs/dbraw/zinc/92/72/96/1187927296.db2.gz YMSKVCVMPRRQSY-INIZCTEOSA-N 1 2 377.514 0.729 20 30 GCEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000549270475 1188073568 /nfs/dbraw/zinc/07/35/68/1188073568.db2.gz AUJXZMPRSCPZST-MRXNPFEDSA-N 1 2 376.505 0.786 20 30 GCEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n1 ZINC000378431801 1189504754 /nfs/dbraw/zinc/50/47/54/1189504754.db2.gz OPCITQDYUXJGAK-HZPDHXFCSA-N 1 2 388.472 1.034 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC000416583840 1189555950 /nfs/dbraw/zinc/55/59/50/1189555950.db2.gz LUVHMGOTMLBDKV-OAHLLOKOSA-N 1 2 395.481 0.328 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1 ZINC000416583840 1189555954 /nfs/dbraw/zinc/55/59/54/1189555954.db2.gz LUVHMGOTMLBDKV-OAHLLOKOSA-N 1 2 395.481 0.328 20 30 GCEDLO N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000431997646 1189832120 /nfs/dbraw/zinc/83/21/20/1189832120.db2.gz ICTAEXWZPGFKGZ-UHFFFAOYSA-N 1 2 389.437 0.428 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000729257445 1193909782 /nfs/dbraw/zinc/90/97/82/1193909782.db2.gz FLFNOFHUVKHRLO-QGZVFWFLSA-N 1 2 384.480 0.479 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000729257445 1193909784 /nfs/dbraw/zinc/90/97/84/1193909784.db2.gz FLFNOFHUVKHRLO-QGZVFWFLSA-N 1 2 384.480 0.479 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000729257448 1193909791 /nfs/dbraw/zinc/90/97/91/1193909791.db2.gz FPRSYTWARRKQPJ-UHFFFAOYSA-N 1 2 396.447 0.237 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000729257448 1193909793 /nfs/dbraw/zinc/90/97/93/1193909793.db2.gz FPRSYTWARRKQPJ-UHFFFAOYSA-N 1 2 396.447 0.237 20 30 GCEDLO C[C@]1(F)CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000501392403 1194139243 /nfs/dbraw/zinc/13/92/43/1194139243.db2.gz JBCQSGNGZCOZIR-SFHVURJKSA-N 1 2 394.472 0.825 20 30 GCEDLO C[C@]1(F)CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000501392403 1194139245 /nfs/dbraw/zinc/13/92/45/1194139245.db2.gz JBCQSGNGZCOZIR-SFHVURJKSA-N 1 2 394.472 0.825 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)O[C@@]4(CCOC4)C3)CC2)o1 ZINC000366584886 1194221659 /nfs/dbraw/zinc/22/16/59/1194221659.db2.gz GCGHWVYYTSOKHO-LIRRHRJNSA-N 1 2 389.456 0.383 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)O[C@@]4(CCOC4)C3)CC2)o1 ZINC000366584886 1194221663 /nfs/dbraw/zinc/22/16/63/1194221663.db2.gz GCGHWVYYTSOKHO-LIRRHRJNSA-N 1 2 389.456 0.383 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)O[C@]4(CCOC4)C3)CC2)o1 ZINC000366584883 1194221961 /nfs/dbraw/zinc/22/19/61/1194221961.db2.gz GCGHWVYYTSOKHO-AUUYWEPGSA-N 1 2 389.456 0.383 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)O[C@]4(CCOC4)C3)CC2)o1 ZINC000366584883 1194221966 /nfs/dbraw/zinc/22/19/66/1194221966.db2.gz GCGHWVYYTSOKHO-AUUYWEPGSA-N 1 2 389.456 0.383 20 30 GCEDLO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)COC)CC2)c(OC)c1 ZINC000047997181 1194580032 /nfs/dbraw/zinc/58/00/32/1194580032.db2.gz RWKWQEVGUXBXNK-KRWDZBQOSA-N 1 2 378.469 0.954 20 30 GCEDLO C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)COC)CC1 ZINC000424112263 1194802783 /nfs/dbraw/zinc/80/27/83/1194802783.db2.gz IUYKZSFCEGLBGH-OAHLLOKOSA-N 1 2 397.545 0.913 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505349352 1194835667 /nfs/dbraw/zinc/83/56/67/1194835667.db2.gz CSSRZIWLWAYDSG-RHSMWYFYSA-N 1 2 399.451 0.600 20 30 GCEDLO C=CCn1cc(CNC(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)nn1 ZINC000425518780 1194997802 /nfs/dbraw/zinc/99/78/02/1194997802.db2.gz FEBVKINWTOQCEM-UHFFFAOYSA-N 1 2 378.477 0.533 20 30 GCEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000437396242 1195105732 /nfs/dbraw/zinc/10/57/32/1195105732.db2.gz PKPYRDMIRSXFFB-CQSZACIVSA-N 1 2 386.456 0.416 20 30 GCEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000437396236 1195105828 /nfs/dbraw/zinc/10/58/28/1195105828.db2.gz PKPYRDMIRSXFFB-AWEZNQCLSA-N 1 2 386.456 0.416 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000729444078 1195419581 /nfs/dbraw/zinc/41/95/81/1195419581.db2.gz GUYCEYBIHYHSKJ-HUUCEWRRSA-N 1 2 379.482 0.437 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025053593 1195463749 /nfs/dbraw/zinc/46/37/49/1195463749.db2.gz SETWQGORLOFSKE-CQSZACIVSA-N 1 2 394.497 0.830 20 30 GCEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000550389079 1195652166 /nfs/dbraw/zinc/65/21/66/1195652166.db2.gz WUBULMBKDQTHFN-SFHVURJKSA-N 1 2 375.469 0.665 20 30 GCEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000550389079 1195652169 /nfs/dbraw/zinc/65/21/69/1195652169.db2.gz WUBULMBKDQTHFN-SFHVURJKSA-N 1 2 375.469 0.665 20 30 GCEDLO CC(=O)N1CC[C@H](CN(C)C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000328824748 1195667236 /nfs/dbraw/zinc/66/72/36/1195667236.db2.gz ISYRLWFADDBCOU-AEFFLSMTSA-N 1 2 384.546 0.909 20 30 GCEDLO Cc1ncc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)[nH]1 ZINC000328837991 1195669744 /nfs/dbraw/zinc/66/97/44/1195669744.db2.gz NFZPGBYPZOVJLB-AWEZNQCLSA-N 1 2 385.472 0.869 20 30 GCEDLO Cn1ncnc1[C@@H]1COCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000328877937 1195673968 /nfs/dbraw/zinc/67/39/68/1195673968.db2.gz KVGQWGHPZDDWKW-YOEHRIQHSA-N 1 2 396.517 0.310 20 30 GCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 ZINC000328921218 1195680439 /nfs/dbraw/zinc/68/04/39/1195680439.db2.gz MAWPFHXKJMKJEZ-HNNXBMFYSA-N 1 2 382.486 0.513 20 30 GCEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 ZINC000328921218 1195680441 /nfs/dbraw/zinc/68/04/41/1195680441.db2.gz MAWPFHXKJMKJEZ-HNNXBMFYSA-N 1 2 382.486 0.513 20 30 GCEDLO CC(C)(CNC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000328958771 1195682029 /nfs/dbraw/zinc/68/20/29/1195682029.db2.gz JVWHYDAKUZRZBZ-LJQANCHMSA-N 1 2 382.505 0.461 20 30 GCEDLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000330399341 1195687191 /nfs/dbraw/zinc/68/71/91/1195687191.db2.gz CZJAOFPDGQLJIG-CQSZACIVSA-N 1 2 382.486 0.645 20 30 GCEDLO CNC(=O)NC(=O)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000330399341 1195687194 /nfs/dbraw/zinc/68/71/94/1195687194.db2.gz CZJAOFPDGQLJIG-CQSZACIVSA-N 1 2 382.486 0.645 20 30 GCEDLO CC(C)(CNC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000330474781 1195689663 /nfs/dbraw/zinc/68/96/63/1195689663.db2.gz HXZWFJBRISSWBF-OAHLLOKOSA-N 1 2 390.550 0.805 20 30 GCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000330646835 1195698861 /nfs/dbraw/zinc/69/88/61/1195698861.db2.gz MSGPGHJWINUUFP-QGZVFWFLSA-N 1 2 399.561 0.035 20 30 GCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330765874 1195706397 /nfs/dbraw/zinc/70/63/97/1195706397.db2.gz QJXWNVPBGBEXEU-HZPDHXFCSA-N 1 2 386.518 0.121 20 30 GCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330765874 1195706401 /nfs/dbraw/zinc/70/64/01/1195706401.db2.gz QJXWNVPBGBEXEU-HZPDHXFCSA-N 1 2 386.518 0.121 20 30 GCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330765873 1195706410 /nfs/dbraw/zinc/70/64/10/1195706410.db2.gz QJXWNVPBGBEXEU-HOTGVXAUSA-N 1 2 386.518 0.121 20 30 GCEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000330765873 1195706413 /nfs/dbraw/zinc/70/64/13/1195706413.db2.gz QJXWNVPBGBEXEU-HOTGVXAUSA-N 1 2 386.518 0.121 20 30 GCEDLO C=CCOc1ccc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000091811685 1195770087 /nfs/dbraw/zinc/77/00/87/1195770087.db2.gz JCCVKJYSKVMIAU-UHFFFAOYSA-N 1 2 394.541 0.861 20 30 GCEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000427688892 1195866411 /nfs/dbraw/zinc/86/64/11/1195866411.db2.gz FLDSIFLECODYPE-INIZCTEOSA-N 1 2 385.468 0.975 20 30 GCEDLO C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000441911891 1195932200 /nfs/dbraw/zinc/93/22/00/1195932200.db2.gz OCWHRTRGIAWZME-AWEZNQCLSA-N 1 2 398.467 0.558 20 30 GCEDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000443072222 1196018323 /nfs/dbraw/zinc/01/83/23/1196018323.db2.gz OYMONRCSCWVMKT-UHFFFAOYSA-N 1 2 395.441 0.297 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CC1 ZINC000895916081 1196117964 /nfs/dbraw/zinc/11/79/64/1196117964.db2.gz VGTNBDITAOXDAO-HNNXBMFYSA-N 1 2 395.481 0.212 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000895918139 1196118040 /nfs/dbraw/zinc/11/80/40/1196118040.db2.gz JVNNWDWRUFAKBY-UHFFFAOYSA-N 1 2 392.525 0.233 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)CC1 ZINC000896181358 1196132106 /nfs/dbraw/zinc/13/21/06/1196132106.db2.gz JZFDVPGEVPEJIW-INIZCTEOSA-N 1 2 376.501 0.307 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)CC1 ZINC000896181358 1196132110 /nfs/dbraw/zinc/13/21/10/1196132110.db2.gz JZFDVPGEVPEJIW-INIZCTEOSA-N 1 2 376.501 0.307 20 30 GCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329120116 1196166406 /nfs/dbraw/zinc/16/64/06/1196166406.db2.gz JZYFNNPKKTUPEW-LJQANCHMSA-N 1 2 382.505 0.461 20 30 GCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329120116 1196166410 /nfs/dbraw/zinc/16/64/10/1196166410.db2.gz JZYFNNPKKTUPEW-LJQANCHMSA-N 1 2 382.505 0.461 20 30 GCEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000329192655 1196174575 /nfs/dbraw/zinc/17/45/75/1196174575.db2.gz SZCWHVUKRLABKO-MRXNPFEDSA-N 1 2 395.529 0.460 20 30 GCEDLO O=C(Cc1ccc2c(c1)OCCO2)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329767762 1196230318 /nfs/dbraw/zinc/23/03/18/1196230318.db2.gz ZYWWBEUMQRRIOK-MRXNPFEDSA-N 1 2 389.452 0.890 20 30 GCEDLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCN2CCOC[C@H]2C1 ZINC000329792041 1196231508 /nfs/dbraw/zinc/23/15/08/1196231508.db2.gz UXNBOUHUOUTMKT-WOJBJXKFSA-N 1 2 388.512 0.860 20 30 GCEDLO O=C(NCCN1CCN(C(=O)C2CCC2)CC1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329898220 1196237215 /nfs/dbraw/zinc/23/72/15/1196237215.db2.gz LZDSLLHGGVYOSL-INIZCTEOSA-N 1 2 388.516 0.893 20 30 GCEDLO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329939584 1196240856 /nfs/dbraw/zinc/24/08/56/1196240856.db2.gz BCHCAQHQJWBQSH-CABCVRRESA-N 1 2 378.477 0.970 20 30 GCEDLO O=C(Cn1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1)N1CCOCC1 ZINC000329995119 1196244965 /nfs/dbraw/zinc/24/49/65/1196244965.db2.gz MVWDMGYHZHWOHK-AWEZNQCLSA-N 1 2 387.444 0.890 20 30 GCEDLO CCO[C@@H]1C[C@@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@@H]1OC ZINC000330119663 1196253743 /nfs/dbraw/zinc/25/37/43/1196253743.db2.gz IKYQPIXLNYOIAR-OIISXLGYSA-N 1 2 391.472 0.797 20 30 GCEDLO N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)C2=O)cc1 ZINC000330125307 1196254355 /nfs/dbraw/zinc/25/43/55/1196254355.db2.gz BOBKUZAIHZKCOW-OALUTQOASA-N 1 2 397.479 0.980 20 30 GCEDLO CC(C)N1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000330258540 1196261934 /nfs/dbraw/zinc/26/19/34/1196261934.db2.gz RKZOUAJDIUKGRQ-HNNXBMFYSA-N 1 2 375.477 0.112 20 30 GCEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000281471818 1196299066 /nfs/dbraw/zinc/29/90/66/1196299066.db2.gz WAMIDXGKHBLUNN-JKSUJKDBSA-N 1 2 388.468 0.671 20 30 GCEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000281471818 1196299070 /nfs/dbraw/zinc/29/90/70/1196299070.db2.gz WAMIDXGKHBLUNN-JKSUJKDBSA-N 1 2 388.468 0.671 20 30 GCEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000522721165 1196304155 /nfs/dbraw/zinc/30/41/55/1196304155.db2.gz OOANUPGEWLMHSA-UHFFFAOYSA-N 1 2 395.419 0.179 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000281728152 1196326244 /nfs/dbraw/zinc/32/62/44/1196326244.db2.gz JSXJQWUSJGQEDP-WBVHZDCISA-N 1 2 391.472 0.251 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000445101636 1196547738 /nfs/dbraw/zinc/54/77/38/1196547738.db2.gz NISLMSARFXVNSS-QGZVFWFLSA-N 1 2 399.451 0.040 20 30 GCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000441009674 1196637306 /nfs/dbraw/zinc/63/73/06/1196637306.db2.gz LJDYXZHKSYVZBQ-CYBMUJFWSA-N 1 2 380.832 0.302 20 30 GCEDLO CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1=O ZINC000022519896 1196700633 /nfs/dbraw/zinc/70/06/33/1196700633.db2.gz OSPKKRGIFGGJRM-UHFFFAOYSA-N 1 2 397.435 0.372 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)c1C#N ZINC000527258228 1196775043 /nfs/dbraw/zinc/77/50/43/1196775043.db2.gz KFFNTTCWQOPIGY-GOSISDBHSA-N 1 2 386.500 0.892 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)c1C#N ZINC000527258228 1196775045 /nfs/dbraw/zinc/77/50/45/1196775045.db2.gz KFFNTTCWQOPIGY-GOSISDBHSA-N 1 2 386.500 0.892 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)c1C#N ZINC000527258229 1196775264 /nfs/dbraw/zinc/77/52/64/1196775264.db2.gz KFFNTTCWQOPIGY-SFHVURJKSA-N 1 2 386.500 0.892 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)c1C#N ZINC000527258229 1196775267 /nfs/dbraw/zinc/77/52/67/1196775267.db2.gz KFFNTTCWQOPIGY-SFHVURJKSA-N 1 2 386.500 0.892 20 30 GCEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448698923 1196824838 /nfs/dbraw/zinc/82/48/38/1196824838.db2.gz RMIISXXGUGRTPN-PBHICJAKSA-N 1 2 377.470 0.199 20 30 GCEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000528341646 1196849157 /nfs/dbraw/zinc/84/91/57/1196849157.db2.gz WLZDDKIWOOZDGN-LJQANCHMSA-N 1 2 386.496 0.928 20 30 GCEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528337353 1196850867 /nfs/dbraw/zinc/85/08/67/1196850867.db2.gz JQPAGTLFMPZNKT-INIZCTEOSA-N 1 2 394.475 0.571 20 30 GCEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528350286 1196851387 /nfs/dbraw/zinc/85/13/87/1196851387.db2.gz NAZXFPNLUDUSCI-OAHLLOKOSA-N 1 2 389.477 0.690 20 30 GCEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528350286 1196851392 /nfs/dbraw/zinc/85/13/92/1196851392.db2.gz NAZXFPNLUDUSCI-OAHLLOKOSA-N 1 2 389.477 0.690 20 30 GCEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528427648 1196858136 /nfs/dbraw/zinc/85/81/36/1196858136.db2.gz WTAKSOVAKHRTEA-OAHLLOKOSA-N 1 2 389.477 0.688 20 30 GCEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528427648 1196858144 /nfs/dbraw/zinc/85/81/44/1196858144.db2.gz WTAKSOVAKHRTEA-OAHLLOKOSA-N 1 2 389.477 0.688 20 30 GCEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528428185 1196858938 /nfs/dbraw/zinc/85/89/38/1196858938.db2.gz AKKVASNHNIJGMV-CQSZACIVSA-N 1 2 375.450 0.300 20 30 GCEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528428185 1196858941 /nfs/dbraw/zinc/85/89/41/1196858941.db2.gz AKKVASNHNIJGMV-CQSZACIVSA-N 1 2 375.450 0.300 20 30 GCEDLO COCc1ccc(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1C#N ZINC000529209859 1196908353 /nfs/dbraw/zinc/90/83/53/1196908353.db2.gz FKWYEWVLLYVRCV-INIZCTEOSA-N 1 2 375.429 0.354 20 30 GCEDLO COCc1ccc(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1C#N ZINC000529209859 1196908357 /nfs/dbraw/zinc/90/83/57/1196908357.db2.gz FKWYEWVLLYVRCV-INIZCTEOSA-N 1 2 375.429 0.354 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)CC2)c1C#N ZINC000530460835 1196989922 /nfs/dbraw/zinc/98/99/22/1196989922.db2.gz NAKGPNNAEDDECM-HNNXBMFYSA-N 1 2 388.520 0.068 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)c1C#N ZINC000530461119 1196990415 /nfs/dbraw/zinc/99/04/15/1196990415.db2.gz CAEKSXAIBYFKJZ-CQSZACIVSA-N 1 2 375.477 0.153 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)CC2)c1C#N ZINC000530522393 1196993562 /nfs/dbraw/zinc/99/35/62/1196993562.db2.gz XVYFWSMWIWWIBT-GOSISDBHSA-N 1 2 386.500 0.750 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)CC2)c1C#N ZINC000530522393 1196993564 /nfs/dbraw/zinc/99/35/64/1196993564.db2.gz XVYFWSMWIWWIBT-GOSISDBHSA-N 1 2 386.500 0.750 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)CC2)c1C#N ZINC000530522394 1196993567 /nfs/dbraw/zinc/99/35/67/1196993567.db2.gz XVYFWSMWIWWIBT-SFHVURJKSA-N 1 2 386.500 0.750 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)CC2)c1C#N ZINC000530522394 1196993568 /nfs/dbraw/zinc/99/35/68/1196993568.db2.gz XVYFWSMWIWWIBT-SFHVURJKSA-N 1 2 386.500 0.750 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000532210645 1197126725 /nfs/dbraw/zinc/12/67/25/1197126725.db2.gz WCUQXEMNLXBLRQ-KGLIPLIRSA-N 1 2 380.470 0.062 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000532210645 1197126728 /nfs/dbraw/zinc/12/67/28/1197126728.db2.gz WCUQXEMNLXBLRQ-KGLIPLIRSA-N 1 2 380.470 0.062 20 30 GCEDLO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O ZINC000459355678 1197379331 /nfs/dbraw/zinc/37/93/31/1197379331.db2.gz XNNXOMFJRJVABX-LBPRGKRZSA-N 1 2 384.396 0.869 20 30 GCEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000105172050 1197382443 /nfs/dbraw/zinc/38/24/43/1197382443.db2.gz SHNQGPREORFBDB-IBGZPJMESA-N 1 2 386.496 0.928 20 30 GCEDLO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)n(CCC#N)n1 ZINC000533010484 1197427010 /nfs/dbraw/zinc/42/70/10/1197427010.db2.gz HBGDNZJBLHQFII-HNNXBMFYSA-N 1 2 376.461 0.517 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c1 ZINC000262141183 1197526128 /nfs/dbraw/zinc/52/61/28/1197526128.db2.gz ZDNQVIBWKGXWJZ-MRXNPFEDSA-N 1 2 389.481 0.671 20 30 GCEDLO C#CC[NH+]1CCC(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273270937 1197563349 /nfs/dbraw/zinc/56/33/49/1197563349.db2.gz JKIZOICVFBNNTG-UHFFFAOYSA-N 1 2 379.438 0.830 20 30 GCEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1=O ZINC000672766627 1199333736 /nfs/dbraw/zinc/33/37/36/1199333736.db2.gz TXJUKVCSFIXOJJ-INIZCTEOSA-N 1 2 383.452 0.547 20 30 GCEDLO C#CCOc1ncccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001003745296 1199653632 /nfs/dbraw/zinc/65/36/32/1199653632.db2.gz KPMOAQBRJGRGCG-OIISXLGYSA-N 1 2 379.420 0.852 20 30 GCEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000625137637 1199910107 /nfs/dbraw/zinc/91/01/07/1199910107.db2.gz OXMJIMCHDZTWMK-CQSZACIVSA-N 1 2 375.450 0.300 20 30 GCEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000625137637 1199910111 /nfs/dbraw/zinc/91/01/11/1199910111.db2.gz OXMJIMCHDZTWMK-CQSZACIVSA-N 1 2 375.450 0.300 20 30 GCEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1[nH]cc[nH+]1 ZINC001004721913 1199917534 /nfs/dbraw/zinc/91/75/34/1199917534.db2.gz KPZZFSCJINDXFL-BMFZPTHFSA-N 1 2 379.420 0.921 20 30 GCEDLO CCC[N@H+](CC(N)=O)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000429130749 1199939538 /nfs/dbraw/zinc/93/95/38/1199939538.db2.gz HYJHQHVYPVRXJI-KRWDZBQOSA-N 1 2 375.448 0.732 20 30 GCEDLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000429130749 1199939540 /nfs/dbraw/zinc/93/95/40/1199939540.db2.gz HYJHQHVYPVRXJI-KRWDZBQOSA-N 1 2 375.448 0.732 20 30 GCEDLO CO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000946815959 1200169337 /nfs/dbraw/zinc/16/93/37/1200169337.db2.gz AXZLIQIFZHIPDF-GKLJAUDBSA-N 1 2 382.424 0.379 20 30 GCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128999054 1200400831 /nfs/dbraw/zinc/40/08/31/1200400831.db2.gz ODVKLWYVLXDFGF-RDGPPVDQSA-N 1 2 389.500 0.721 20 30 GCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128999054 1200400840 /nfs/dbraw/zinc/40/08/40/1200400840.db2.gz ODVKLWYVLXDFGF-RDGPPVDQSA-N 1 2 389.500 0.721 20 30 GCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129103585 1200464635 /nfs/dbraw/zinc/46/46/35/1200464635.db2.gz NTRSUDQOXUDJII-MANSERQUSA-N 1 2 387.484 0.332 20 30 GCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129103585 1200464640 /nfs/dbraw/zinc/46/46/40/1200464640.db2.gz NTRSUDQOXUDJII-MANSERQUSA-N 1 2 387.484 0.332 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@@H]1n1ccnn1 ZINC001129267013 1200597583 /nfs/dbraw/zinc/59/75/83/1200597583.db2.gz ULLQJEKLXHHKQO-NCOADZHNSA-N 1 2 390.488 0.079 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@@H]1n1ccnn1 ZINC001129267013 1200597589 /nfs/dbraw/zinc/59/75/89/1200597589.db2.gz ULLQJEKLXHHKQO-NCOADZHNSA-N 1 2 390.488 0.079 20 30 GCEDLO Cn1nc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1OC(F)F ZINC000330231199 1200632213 /nfs/dbraw/zinc/63/22/13/1200632213.db2.gz DXNZIKAVDAHIJT-OAHLLOKOSA-N 1 2 391.444 1.555 20 30 GCEDLO C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1nnc2n1CCCC2 ZINC000330093117 1200646812 /nfs/dbraw/zinc/64/68/12/1200646812.db2.gz ZKWSNISJXIXTLF-AWEZNQCLSA-N 1 2 388.476 1.230 20 30 GCEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000375550542 1200776427 /nfs/dbraw/zinc/77/64/27/1200776427.db2.gz BHRIOZGEFAPFES-INIZCTEOSA-N 1 2 388.472 0.987 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nn1CCC#N ZINC000372843381 1200814209 /nfs/dbraw/zinc/81/42/09/1200814209.db2.gz VGRANBUHVZAJOZ-HOTGVXAUSA-N 1 2 388.472 0.803 20 30 GCEDLO O=C(NC1CC1)[C@@H]1CCCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330315632 1200876854 /nfs/dbraw/zinc/87/68/54/1200876854.db2.gz YWQVHMHFBCSDSH-HNNXBMFYSA-N 1 2 376.461 1.331 20 30 GCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000282542432 1200959041 /nfs/dbraw/zinc/95/90/41/1200959041.db2.gz DIPLPWXIFPOWPB-JKSUJKDBSA-N 1 2 380.518 0.518 20 30 GCEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000585775937 1201098193 /nfs/dbraw/zinc/09/81/93/1201098193.db2.gz GIVBETMKGZYDSA-UHFFFAOYSA-N 1 2 395.467 0.387 20 30 GCEDLO N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000498632191 1201161425 /nfs/dbraw/zinc/16/14/25/1201161425.db2.gz RLPKRLCRLAPXQC-UHFFFAOYSA-N 1 2 378.396 0.737 20 30 GCEDLO N#CCCN1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000611176049 1201220912 /nfs/dbraw/zinc/22/09/12/1201220912.db2.gz SBOOIXSMZYYMII-UHFFFAOYSA-N 1 2 385.512 0.666 20 30 GCEDLO N#Cc1cncc(N2CC[C@H]([NH+]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)CC3)C2)n1 ZINC001065198110 1201245772 /nfs/dbraw/zinc/24/57/72/1201245772.db2.gz JSJYMLGWRSHAMO-MLHJIOFPSA-N 1 2 382.468 0.639 20 30 GCEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001082139128 1201316974 /nfs/dbraw/zinc/31/69/74/1201316974.db2.gz DKNACINNEXWARV-BURFUSLBSA-N 1 2 388.443 0.737 20 30 GCEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001082139128 1201316978 /nfs/dbraw/zinc/31/69/78/1201316978.db2.gz DKNACINNEXWARV-BURFUSLBSA-N 1 2 388.443 0.737 20 30 GCEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082130651 1201322450 /nfs/dbraw/zinc/32/24/50/1201322450.db2.gz YEQIADVCNVMMMQ-XMTFNYHQSA-N 1 2 389.427 0.026 20 30 GCEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001082130651 1201322457 /nfs/dbraw/zinc/32/24/57/1201322457.db2.gz YEQIADVCNVMMMQ-XMTFNYHQSA-N 1 2 389.427 0.026 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001083085492 1201382170 /nfs/dbraw/zinc/38/21/70/1201382170.db2.gz VTNLFCRGQXQROF-YDZRNGNQSA-N 1 2 391.512 0.892 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001083085492 1201382184 /nfs/dbraw/zinc/38/21/84/1201382184.db2.gz VTNLFCRGQXQROF-YDZRNGNQSA-N 1 2 391.512 0.892 20 30 GCEDLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)O1 ZINC001084659090 1201425259 /nfs/dbraw/zinc/42/52/59/1201425259.db2.gz NPZPJZVXCARKBL-OQIJWPOYSA-N 1 2 385.439 0.743 20 30 GCEDLO NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)O1 ZINC001084659090 1201425261 /nfs/dbraw/zinc/42/52/61/1201425261.db2.gz NPZPJZVXCARKBL-OQIJWPOYSA-N 1 2 385.439 0.743 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001084943205 1201502802 /nfs/dbraw/zinc/50/28/02/1201502802.db2.gz NRDVCVSYMOJHAE-WCVJEAGWSA-N 1 2 375.473 0.512 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001084943205 1201502809 /nfs/dbraw/zinc/50/28/09/1201502809.db2.gz NRDVCVSYMOJHAE-WCVJEAGWSA-N 1 2 375.473 0.512 20 30 GCEDLO C#CCNC(=O)CN1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000733149492 1201576753 /nfs/dbraw/zinc/57/67/53/1201576753.db2.gz HUQPVIOXAQGQMA-UHFFFAOYSA-N 1 2 379.464 0.829 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CN2c3ccccc3OCCC2=O)CC1 ZINC000733149599 1201577490 /nfs/dbraw/zinc/57/74/90/1201577490.db2.gz MQRFRGRIHKSNAN-UHFFFAOYSA-N 1 2 398.463 0.086 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CN2c3ccccc3OCCC2=O)CC1 ZINC000733149599 1201577494 /nfs/dbraw/zinc/57/74/94/1201577494.db2.gz MQRFRGRIHKSNAN-UHFFFAOYSA-N 1 2 398.463 0.086 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C)CC1 ZINC000733149470 1201577514 /nfs/dbraw/zinc/57/75/14/1201577514.db2.gz HFLYWJUCINGXBG-UHFFFAOYSA-N 1 2 380.452 0.473 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C)CC1 ZINC000733149470 1201577520 /nfs/dbraw/zinc/57/75/20/1201577520.db2.gz HFLYWJUCINGXBG-UHFFFAOYSA-N 1 2 380.452 0.473 20 30 GCEDLO C#CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065700643 1201630725 /nfs/dbraw/zinc/63/07/25/1201630725.db2.gz REYMTEMEONXYET-SIFVSHMBSA-N 1 2 385.508 0.958 20 30 GCEDLO C=CCn1nnn(CN2CC[NH+]([C@H](C)C(=O)NCCCOC)CC2)c1=S ZINC000738171973 1201735451 /nfs/dbraw/zinc/73/54/51/1201735451.db2.gz UVROVADKNHOEFI-CQSZACIVSA-N 1 2 383.522 0.111 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000745079767 1201864362 /nfs/dbraw/zinc/86/43/62/1201864362.db2.gz OVFFPHVFWMWYPN-OAHLLOKOSA-N 1 2 375.429 0.531 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000745079767 1201864368 /nfs/dbraw/zinc/86/43/68/1201864368.db2.gz OVFFPHVFWMWYPN-OAHLLOKOSA-N 1 2 375.429 0.531 20 30 GCEDLO N#CCn1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000746343862 1201912001 /nfs/dbraw/zinc/91/20/01/1201912001.db2.gz ISJXDRHVZXQNAD-QGZVFWFLSA-N 1 2 382.424 0.362 20 30 GCEDLO N#CCn1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000746343862 1201912003 /nfs/dbraw/zinc/91/20/03/1201912003.db2.gz ISJXDRHVZXQNAD-QGZVFWFLSA-N 1 2 382.424 0.362 20 30 GCEDLO CCOC(=O)COc1cc(Cl)c(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)nc1C#N ZINC001169130461 1201932841 /nfs/dbraw/zinc/93/28/41/1201932841.db2.gz WLGHJNMXNNWFJH-KOLCDFICSA-N 1 2 382.804 0.864 20 30 GCEDLO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767424822 1201973449 /nfs/dbraw/zinc/97/34/49/1201973449.db2.gz DYFYXTUXXPAJJS-BETUJISGSA-N 1 2 379.438 0.132 20 30 GCEDLO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767424822 1201973451 /nfs/dbraw/zinc/97/34/51/1201973451.db2.gz DYFYXTUXXPAJJS-BETUJISGSA-N 1 2 379.438 0.132 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)on1)C2 ZINC001108898150 1201978478 /nfs/dbraw/zinc/97/84/78/1201978478.db2.gz BSFKVJWWEMXLMJ-XFMPKHEZSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)on1)C2 ZINC001108898150 1201978480 /nfs/dbraw/zinc/97/84/80/1201978480.db2.gz BSFKVJWWEMXLMJ-XFMPKHEZSA-N 1 2 375.429 0.718 20 30 GCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108956120 1201984413 /nfs/dbraw/zinc/98/44/13/1201984413.db2.gz DTESPONMVFUNSU-ZZVYKPCYSA-N 1 2 379.486 0.341 20 30 GCEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108956120 1201984414 /nfs/dbraw/zinc/98/44/14/1201984414.db2.gz DTESPONMVFUNSU-ZZVYKPCYSA-N 1 2 379.486 0.341 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCC1CC1)C2 ZINC001109027978 1201990279 /nfs/dbraw/zinc/99/02/79/1201990279.db2.gz DVDGCDHLSXAZMT-UKMLZYKCSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCC1CC1)C2 ZINC001109027978 1201990281 /nfs/dbraw/zinc/99/02/81/1201990281.db2.gz DVDGCDHLSXAZMT-UKMLZYKCSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C)C2 ZINC001109118048 1201996927 /nfs/dbraw/zinc/99/69/27/1201996927.db2.gz WWXILLLKMKHCEB-CRWXNKLISA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1C)C2 ZINC001109118048 1201996928 /nfs/dbraw/zinc/99/69/28/1201996928.db2.gz WWXILLLKMKHCEB-CRWXNKLISA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109120218 1201997071 /nfs/dbraw/zinc/99/70/71/1201997071.db2.gz IUROCLFXBKLBSG-PMPSAXMXSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109120218 1201997073 /nfs/dbraw/zinc/99/70/73/1201997073.db2.gz IUROCLFXBKLBSG-PMPSAXMXSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCC ZINC001109120349 1201997114 /nfs/dbraw/zinc/99/71/14/1201997114.db2.gz ONXQVIHZTYDQOQ-PMPSAXMXSA-N 1 2 380.489 0.927 20 30 GCEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCC ZINC001109120349 1201997116 /nfs/dbraw/zinc/99/71/16/1201997116.db2.gz ONXQVIHZTYDQOQ-PMPSAXMXSA-N 1 2 380.489 0.927 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCOC1)C2 ZINC001109145373 1201998297 /nfs/dbraw/zinc/99/82/97/1201998297.db2.gz WKXXUYODVFFVDX-WCVJEAGWSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCOC1)C2 ZINC001109145373 1201998298 /nfs/dbraw/zinc/99/82/98/1201998298.db2.gz WKXXUYODVFFVDX-WCVJEAGWSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C)n1)C2 ZINC001109188835 1202003455 /nfs/dbraw/zinc/00/34/55/1202003455.db2.gz UJSIERMOPIHKOI-PBOSXPJTSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C)n1)C2 ZINC001109188835 1202003456 /nfs/dbraw/zinc/00/34/56/1202003456.db2.gz UJSIERMOPIHKOI-PBOSXPJTSA-N 1 2 375.429 0.718 20 30 GCEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109213144 1202004903 /nfs/dbraw/zinc/00/49/03/1202004903.db2.gz MZUKDZYTGHPGDJ-QZNHQWIBSA-N 1 2 380.489 0.517 20 30 GCEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109213144 1202004904 /nfs/dbraw/zinc/00/49/04/1202004904.db2.gz MZUKDZYTGHPGDJ-QZNHQWIBSA-N 1 2 380.489 0.517 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOCC1CC1)C2 ZINC001109276267 1202011578 /nfs/dbraw/zinc/01/15/78/1202011578.db2.gz QYQLNNBZLSGEIA-PMPSAXMXSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCOCC1CC1)C2 ZINC001109276267 1202011580 /nfs/dbraw/zinc/01/15/80/1202011580.db2.gz QYQLNNBZLSGEIA-PMPSAXMXSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CCOC)c1C)C2 ZINC001109282028 1202012474 /nfs/dbraw/zinc/01/24/74/1202012474.db2.gz XAXMEMWFZHMKCH-PVAVHDDUSA-N 1 2 375.473 0.475 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CCOC)c1C)C2 ZINC001109282028 1202012476 /nfs/dbraw/zinc/01/24/76/1202012476.db2.gz XAXMEMWFZHMKCH-PVAVHDDUSA-N 1 2 375.473 0.475 20 30 GCEDLO C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)N1CCCCC1=O ZINC001109285522 1202013002 /nfs/dbraw/zinc/01/30/02/1202013002.db2.gz JXBYSITTYKXKSF-FZKCQIBNSA-N 1 2 375.473 0.139 20 30 GCEDLO C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)N1CCCCC1=O ZINC001109285522 1202013009 /nfs/dbraw/zinc/01/30/09/1202013009.db2.gz JXBYSITTYKXKSF-FZKCQIBNSA-N 1 2 375.473 0.139 20 30 GCEDLO C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)N1CCCCC1=O ZINC001109285523 1202013160 /nfs/dbraw/zinc/01/31/60/1202013160.db2.gz JXBYSITTYKXKSF-WCVJEAGWSA-N 1 2 375.473 0.139 20 30 GCEDLO C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)N1CCCCC1=O ZINC001109285523 1202013162 /nfs/dbraw/zinc/01/31/62/1202013162.db2.gz JXBYSITTYKXKSF-WCVJEAGWSA-N 1 2 375.473 0.139 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nn(C)c3ccccc13)C2 ZINC001109292850 1202014552 /nfs/dbraw/zinc/01/45/52/1202014552.db2.gz IXUCYWHVAOSRFR-LJHODMEESA-N 1 2 379.464 0.587 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nn(C)c3ccccc13)C2 ZINC001109292850 1202014557 /nfs/dbraw/zinc/01/45/57/1202014557.db2.gz IXUCYWHVAOSRFR-LJHODMEESA-N 1 2 379.464 0.587 20 30 GCEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1COC3)C2)NCC#Cc1ccccc1 ZINC001109307359 1202016744 /nfs/dbraw/zinc/01/67/44/1202016744.db2.gz HJZXLBQRBOCTSG-RUIUOMPFSA-N 1 2 393.487 0.912 20 30 GCEDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1COC3)C2)NCC#Cc1ccccc1 ZINC001109307359 1202016746 /nfs/dbraw/zinc/01/67/46/1202016746.db2.gz HJZXLBQRBOCTSG-RUIUOMPFSA-N 1 2 393.487 0.912 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCC ZINC001109303076 1202018059 /nfs/dbraw/zinc/01/80/59/1202018059.db2.gz DLGRQQJEWOSGQA-NRKLIOEPSA-N 1 2 392.500 0.925 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCC ZINC001109303076 1202018060 /nfs/dbraw/zinc/01/80/60/1202018060.db2.gz DLGRQQJEWOSGQA-NRKLIOEPSA-N 1 2 392.500 0.925 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CC)C1)C2 ZINC001109317839 1202019176 /nfs/dbraw/zinc/01/91/76/1202019176.db2.gz MNYDAGZTVDZFQI-NCOADZHNSA-N 1 2 376.501 0.659 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CC)C1)C2 ZINC001109317839 1202019179 /nfs/dbraw/zinc/01/91/79/1202019179.db2.gz MNYDAGZTVDZFQI-NCOADZHNSA-N 1 2 376.501 0.659 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C2 ZINC001109323588 1202020556 /nfs/dbraw/zinc/02/05/56/1202020556.db2.gz KOSWTQGYTUYNJW-SIXLDLHFSA-N 1 2 376.501 0.705 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)C1CCCC1)C2 ZINC001109323588 1202020559 /nfs/dbraw/zinc/02/05/59/1202020559.db2.gz KOSWTQGYTUYNJW-SIXLDLHFSA-N 1 2 376.501 0.705 20 30 GCEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001109340038 1202022270 /nfs/dbraw/zinc/02/22/70/1202022270.db2.gz KECQQDFUYPRESD-FZKCQIBNSA-N 1 2 378.517 0.903 20 30 GCEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001109340038 1202022273 /nfs/dbraw/zinc/02/22/73/1202022273.db2.gz KECQQDFUYPRESD-FZKCQIBNSA-N 1 2 378.517 0.903 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C2 ZINC001109361343 1202024873 /nfs/dbraw/zinc/02/48/73/1202024873.db2.gz SWNNLIWTTGAGIA-FZKCQIBNSA-N 1 2 376.501 0.657 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)C2 ZINC001109361343 1202024875 /nfs/dbraw/zinc/02/48/75/1202024875.db2.gz SWNNLIWTTGAGIA-FZKCQIBNSA-N 1 2 376.501 0.657 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)C2 ZINC001109383907 1202035289 /nfs/dbraw/zinc/03/52/89/1202035289.db2.gz RSWSIYIDLWOCLH-KCXAZCMYSA-N 1 2 379.424 0.447 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)C2 ZINC001109383907 1202035295 /nfs/dbraw/zinc/03/52/95/1202035295.db2.gz RSWSIYIDLWOCLH-KCXAZCMYSA-N 1 2 379.424 0.447 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnc(C)o1)C2 ZINC001109397277 1202037159 /nfs/dbraw/zinc/03/71/59/1202037159.db2.gz VBHBFIIMCFOUPI-SNPRPXQTSA-N 1 2 375.429 0.259 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnc(C)o1)C2 ZINC001109397277 1202037162 /nfs/dbraw/zinc/03/71/62/1202037162.db2.gz VBHBFIIMCFOUPI-SNPRPXQTSA-N 1 2 375.429 0.259 20 30 GCEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)CC ZINC001109404587 1202038917 /nfs/dbraw/zinc/03/89/17/1202038917.db2.gz CKJCEMVLFYETBT-PMPSAXMXSA-N 1 2 380.514 0.949 20 30 GCEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)CC ZINC001109404587 1202038919 /nfs/dbraw/zinc/03/89/19/1202038919.db2.gz CKJCEMVLFYETBT-PMPSAXMXSA-N 1 2 380.514 0.949 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cncn3)cc1)C2 ZINC001109421893 1202046164 /nfs/dbraw/zinc/04/61/64/1202046164.db2.gz PJMWTGHZJGTGEB-SQNIBIBYSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cncn3)cc1)C2 ZINC001109421893 1202046166 /nfs/dbraw/zinc/04/61/66/1202046166.db2.gz PJMWTGHZJGTGEB-SQNIBIBYSA-N 1 2 378.436 0.352 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(c3ccccc3)C1)C2 ZINC001109437946 1202050069 /nfs/dbraw/zinc/05/00/69/1202050069.db2.gz UBBQBHDGQVOUQL-YSHGAJCASA-N 1 2 381.480 0.874 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(c3ccccc3)C1)C2 ZINC001109437946 1202050071 /nfs/dbraw/zinc/05/00/71/1202050071.db2.gz UBBQBHDGQVOUQL-YSHGAJCASA-N 1 2 381.480 0.874 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnc3)n1)C2 ZINC001109472938 1202059042 /nfs/dbraw/zinc/05/90/42/1202059042.db2.gz NWTSVXDBBJAMCF-PVAVHDDUSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnc3)n1)C2 ZINC001109472938 1202059044 /nfs/dbraw/zinc/05/90/44/1202059044.db2.gz NWTSVXDBBJAMCF-PVAVHDDUSA-N 1 2 380.452 0.905 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Br)c[nH]1)C2 ZINC001109495746 1202065921 /nfs/dbraw/zinc/06/59/21/1202065921.db2.gz KMGLIYMNNYRVFA-DYEKYZERSA-N 1 2 379.258 0.862 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Br)c[nH]1)C2 ZINC001109495746 1202065923 /nfs/dbraw/zinc/06/59/23/1202065923.db2.gz KMGLIYMNNYRVFA-DYEKYZERSA-N 1 2 379.258 0.862 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnc3ccccc31)C2 ZINC001109501097 1202067507 /nfs/dbraw/zinc/06/75/07/1202067507.db2.gz LDNVKQMPHQEAEP-HFTRVMKXSA-N 1 2 380.452 0.788 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cnc3ccccc31)C2 ZINC001109501097 1202067510 /nfs/dbraw/zinc/06/75/10/1202067510.db2.gz LDNVKQMPHQEAEP-HFTRVMKXSA-N 1 2 380.452 0.788 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3n1)C2 ZINC001109527842 1202072059 /nfs/dbraw/zinc/07/20/59/1202072059.db2.gz NTHGCQUSTDTFFZ-OMNBBPDLSA-N 1 2 378.436 0.498 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3n1)C2 ZINC001109527842 1202072061 /nfs/dbraw/zinc/07/20/61/1202072061.db2.gz NTHGCQUSTDTFFZ-OMNBBPDLSA-N 1 2 378.436 0.498 20 30 GCEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001109563109 1202080999 /nfs/dbraw/zinc/08/09/99/1202080999.db2.gz HZESELLTNXJYKQ-NHAYFPRASA-N 1 2 379.501 0.796 20 30 GCEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001109563109 1202081001 /nfs/dbraw/zinc/08/10/01/1202081001.db2.gz HZESELLTNXJYKQ-NHAYFPRASA-N 1 2 379.501 0.796 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(C)c1Cl)C2 ZINC001109577022 1202081913 /nfs/dbraw/zinc/08/19/13/1202081913.db2.gz MIXAMWGIMVLZRR-CRWXNKLISA-N 1 2 377.876 0.855 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(C)c1Cl)C2 ZINC001109577022 1202081916 /nfs/dbraw/zinc/08/19/16/1202081916.db2.gz MIXAMWGIMVLZRR-CRWXNKLISA-N 1 2 377.876 0.855 20 30 GCEDLO C#CCN1CCN(C(=O)CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC000746499599 1202092586 /nfs/dbraw/zinc/09/25/86/1202092586.db2.gz LSKXSXPVFHMYDR-UHFFFAOYSA-N 1 2 384.528 0.808 20 30 GCEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)N[C@@H](C)COC ZINC001109655133 1202098847 /nfs/dbraw/zinc/09/88/47/1202098847.db2.gz ICCUUVQKXUHLRL-FZKCQIBNSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)N[C@@H](C)COC ZINC001109655133 1202098849 /nfs/dbraw/zinc/09/88/49/1202098849.db2.gz ICCUUVQKXUHLRL-FZKCQIBNSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C)C2 ZINC001109662961 1202101910 /nfs/dbraw/zinc/10/19/10/1202101910.db2.gz CQVNPHVSVXAEEH-NEBZKDRISA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C)C2 ZINC001109662961 1202101912 /nfs/dbraw/zinc/10/19/12/1202101912.db2.gz CQVNPHVSVXAEEH-NEBZKDRISA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C)C2 ZINC001109662962 1202102042 /nfs/dbraw/zinc/10/20/42/1202102042.db2.gz CQVNPHVSVXAEEH-UXOAXIEHSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C)C2 ZINC001109662962 1202102044 /nfs/dbraw/zinc/10/20/44/1202102044.db2.gz CQVNPHVSVXAEEH-UXOAXIEHSA-N 1 2 375.429 0.718 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)c1)C2 ZINC001109698423 1202105142 /nfs/dbraw/zinc/10/51/42/1202105142.db2.gz GRWRLGSJBHLGHC-NJAFHUGGSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)c1)C2 ZINC001109698423 1202105144 /nfs/dbraw/zinc/10/51/44/1202105144.db2.gz GRWRLGSJBHLGHC-NJAFHUGGSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nn(C)c(C)c1Cl)C2 ZINC001109767727 1202120320 /nfs/dbraw/zinc/12/03/20/1202120320.db2.gz INAONOQIHJFFNT-CRWXNKLISA-N 1 2 377.876 0.855 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nn(C)c(C)c1Cl)C2 ZINC001109767727 1202120325 /nfs/dbraw/zinc/12/03/25/1202120325.db2.gz INAONOQIHJFFNT-CRWXNKLISA-N 1 2 377.876 0.855 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(C)c1OC)C2 ZINC001109773248 1202121384 /nfs/dbraw/zinc/12/13/84/1202121384.db2.gz MABKUYOKELLRCB-XGUBFFRZSA-N 1 2 375.473 0.763 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(C)c1OC)C2 ZINC001109773248 1202121386 /nfs/dbraw/zinc/12/13/86/1202121386.db2.gz MABKUYOKELLRCB-XGUBFFRZSA-N 1 2 375.473 0.763 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)N1CCC(C)CC1)C2 ZINC001109808630 1202126640 /nfs/dbraw/zinc/12/66/40/1202126640.db2.gz PYISXAPLWLHDKC-YVSFHVDLSA-N 1 2 376.501 0.657 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)N1CCC(C)CC1)C2 ZINC001109808630 1202126643 /nfs/dbraw/zinc/12/66/43/1202126643.db2.gz PYISXAPLWLHDKC-YVSFHVDLSA-N 1 2 376.501 0.657 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(NC(N)=O)CCCCC1)C2 ZINC001109801526 1202127394 /nfs/dbraw/zinc/12/73/94/1202127394.db2.gz DPVGZJJWSAEGRQ-ILXRZTDVSA-N 1 2 377.489 0.381 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(NC(N)=O)CCCCC1)C2 ZINC001109801526 1202127395 /nfs/dbraw/zinc/12/73/95/1202127395.db2.gz DPVGZJJWSAEGRQ-ILXRZTDVSA-N 1 2 377.489 0.381 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)c1)C2 ZINC001109841049 1202133178 /nfs/dbraw/zinc/13/31/78/1202133178.db2.gz FFDWEDNWHSHWNV-NEWSRXKRSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)c1)C2 ZINC001109841049 1202133182 /nfs/dbraw/zinc/13/31/82/1202133182.db2.gz FFDWEDNWHSHWNV-NEWSRXKRSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1NC(=O)c3ccccc31)C2 ZINC001109868408 1202140549 /nfs/dbraw/zinc/14/05/49/1202140549.db2.gz PDIXLMNEUGYFQM-QCSYZSNVSA-N 1 2 380.448 0.332 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1NC(=O)c3ccccc31)C2 ZINC001109868408 1202140552 /nfs/dbraw/zinc/14/05/52/1202140552.db2.gz PDIXLMNEUGYFQM-QCSYZSNVSA-N 1 2 380.448 0.332 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3c1cnn3C)C2 ZINC001109884205 1202141542 /nfs/dbraw/zinc/14/15/42/1202141542.db2.gz IEZWLZJCIYCKBV-COXVUDFISA-N 1 2 380.452 0.361 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3c1cnn3C)C2 ZINC001109884205 1202141543 /nfs/dbraw/zinc/14/15/43/1202141543.db2.gz IEZWLZJCIYCKBV-COXVUDFISA-N 1 2 380.452 0.361 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3nccc3nc1C)C2 ZINC001109904601 1202146978 /nfs/dbraw/zinc/14/69/78/1202146978.db2.gz VELDZEZUAFELBL-JHNDHUHGSA-N 1 2 380.452 0.511 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3nccc3nc1C)C2 ZINC001109904601 1202146982 /nfs/dbraw/zinc/14/69/82/1202146982.db2.gz VELDZEZUAFELBL-JHNDHUHGSA-N 1 2 380.452 0.511 20 30 GCEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)n1cnc2ccccc21 ZINC001109923018 1202150785 /nfs/dbraw/zinc/15/07/85/1202150785.db2.gz YVPZOLRSCBSYPE-KPEUIFRASA-N 1 2 380.452 0.959 20 30 GCEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)n1cnc2ccccc21 ZINC001109923018 1202150789 /nfs/dbraw/zinc/15/07/89/1202150789.db2.gz YVPZOLRSCBSYPE-KPEUIFRASA-N 1 2 380.452 0.959 20 30 GCEDLO COCc1nc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)cs1 ZINC001109950258 1202156865 /nfs/dbraw/zinc/15/68/65/1202156865.db2.gz TUMFKNRWPFOGHG-RDBSUJKOSA-N 1 2 377.470 0.193 20 30 GCEDLO COCc1nc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)cs1 ZINC001109950258 1202156866 /nfs/dbraw/zinc/15/68/66/1202156866.db2.gz TUMFKNRWPFOGHG-RDBSUJKOSA-N 1 2 377.470 0.193 20 30 GCEDLO Cn1cc(S(=O)(=O)NN=C2CCCC[C@@H]2[NH+]2CCCCC2)c(=O)n(C)c1=O ZINC000771893126 1202168547 /nfs/dbraw/zinc/16/85/47/1202168547.db2.gz XFHYEYCRSVRLOC-AWEZNQCLSA-N 1 2 397.501 0.147 20 30 GCEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000787775349 1205402262 /nfs/dbraw/zinc/40/22/62/1205402262.db2.gz OXASFUYEWCJNCS-OAHLLOKOSA-N 1 2 381.440 0.621 20 30 GCEDLO N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000787777567 1205402487 /nfs/dbraw/zinc/40/24/87/1205402487.db2.gz LYCPMDQDWZDZFM-UHFFFAOYSA-N 1 2 389.419 0.983 20 30 GCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000746813394 1205439986 /nfs/dbraw/zinc/43/99/86/1205439986.db2.gz YOVYRHGDOIJBGD-AWEZNQCLSA-N 1 2 388.424 0.623 20 30 GCEDLO C#CCNc1nc(N[C@@H]2CCCCNC2=O)[nH+]c(N[C@@H]2CCCCNC2=O)n1 ZINC000804373178 1205514471 /nfs/dbraw/zinc/51/44/71/1205514471.db2.gz QFKHMEZVTHNEKC-CHWSQXEVSA-N 1 2 386.460 0.078 20 30 GCEDLO C#CCNc1nc(N[C@@H]2CCCCNC2=O)nc(N[C@@H]2CCCCNC2=O)[nH+]1 ZINC000804373178 1205514472 /nfs/dbraw/zinc/51/44/72/1205514472.db2.gz QFKHMEZVTHNEKC-CHWSQXEVSA-N 1 2 386.460 0.078 20 30 GCEDLO C#CCNc1nc(N(C)C[C@@H]2CCC[C@@H]2O)[nH+]c(N(C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000804577078 1205518500 /nfs/dbraw/zinc/51/85/00/1205518500.db2.gz RKVFRGDINGXMQJ-QAETUUGQSA-N 1 2 388.516 0.533 20 30 GCEDLO C#CCCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000805008374 1205531386 /nfs/dbraw/zinc/53/13/86/1205531386.db2.gz BZOJUAUDQFAOTK-UHFFFAOYSA-N 1 2 379.486 0.178 20 30 GCEDLO C#CCCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000805008374 1205531387 /nfs/dbraw/zinc/53/13/87/1205531387.db2.gz BZOJUAUDQFAOTK-UHFFFAOYSA-N 1 2 379.486 0.178 20 30 GCEDLO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]23C[C@H]2CCC3)n[nH]1 ZINC001130227909 1205538544 /nfs/dbraw/zinc/53/85/44/1205538544.db2.gz VBAYWKVNBIHQKV-NARAOEGZSA-N 1 2 387.484 0.723 20 30 GCEDLO Cc1cccn2cc(CCNC(=O)C(=O)NCCNc3ccc(C#N)cn3)[nH+]c12 ZINC000806538102 1205558365 /nfs/dbraw/zinc/55/83/65/1205558365.db2.gz WIPXJAGVUUJXHT-UHFFFAOYSA-N 1 2 391.435 0.796 20 30 GCEDLO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000807405471 1205580948 /nfs/dbraw/zinc/58/09/48/1205580948.db2.gz AQPKVTNLVITYHT-UHFFFAOYSA-N 1 2 395.463 0.816 20 30 GCEDLO N#Cc1ccc(NCCNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)nc1 ZINC000747563524 1205626913 /nfs/dbraw/zinc/62/69/13/1205626913.db2.gz WEKMNXAXIBOIID-UHFFFAOYSA-N 1 2 384.444 0.716 20 30 GCEDLO C#CCNC(=O)CN1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000810343921 1205636002 /nfs/dbraw/zinc/63/60/02/1205636002.db2.gz ANOGTMNFUPRNFS-UHFFFAOYSA-N 1 2 379.464 0.368 20 30 GCEDLO Cc1nsc(N2CCN(C(=O)NCC[N@@H+]3CCO[C@H](C)C3)CC2)c1C#N ZINC000812021189 1205660333 /nfs/dbraw/zinc/66/03/33/1205660333.db2.gz TUBSEYFGZQLDSM-CYBMUJFWSA-N 1 2 378.502 0.876 20 30 GCEDLO Cc1nsc(N2CCN(C(=O)NCC[N@H+]3CCO[C@H](C)C3)CC2)c1C#N ZINC000812021189 1205660334 /nfs/dbraw/zinc/66/03/34/1205660334.db2.gz TUBSEYFGZQLDSM-CYBMUJFWSA-N 1 2 378.502 0.876 20 30 GCEDLO Cc1nsc(N2CCN(C(=O)NCC[N@@H+]3CCO[C@@H](C)C3)CC2)c1C#N ZINC000812021190 1205660347 /nfs/dbraw/zinc/66/03/47/1205660347.db2.gz TUBSEYFGZQLDSM-ZDUSSCGKSA-N 1 2 378.502 0.876 20 30 GCEDLO Cc1nsc(N2CCN(C(=O)NCC[N@H+]3CCO[C@@H](C)C3)CC2)c1C#N ZINC000812021190 1205660348 /nfs/dbraw/zinc/66/03/48/1205660348.db2.gz TUBSEYFGZQLDSM-ZDUSSCGKSA-N 1 2 378.502 0.876 20 30 GCEDLO Cc1ccn(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c(=O)c1C#N ZINC000814228551 1205688743 /nfs/dbraw/zinc/68/87/43/1205688743.db2.gz GAVTXWZEGZFYAB-UHFFFAOYSA-N 1 2 376.438 0.644 20 30 GCEDLO Cc1ccn(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c(=O)c1C#N ZINC000814228551 1205688746 /nfs/dbraw/zinc/68/87/46/1205688746.db2.gz GAVTXWZEGZFYAB-UHFFFAOYSA-N 1 2 376.438 0.644 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C23CCC(C(=O)OC)(CC2)CC3)CC1 ZINC000815439326 1205704489 /nfs/dbraw/zinc/70/44/89/1205704489.db2.gz LCBJPJODBPYZMR-UHFFFAOYSA-N 1 2 389.496 0.784 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C23CCC(C(=O)OC)(CC2)CC3)CC1 ZINC000815439326 1205704490 /nfs/dbraw/zinc/70/44/90/1205704490.db2.gz LCBJPJODBPYZMR-UHFFFAOYSA-N 1 2 389.496 0.784 20 30 GCEDLO C=C[C@@H]1C[C@]1([NH2+]C1CC[NH+](CCCOC)CC1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001172246275 1205714826 /nfs/dbraw/zinc/71/48/26/1205714826.db2.gz ILTQJHPUTZOFHP-RDTXWAMCSA-N 1 2 385.530 0.630 20 30 GCEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000773389491 1205731620 /nfs/dbraw/zinc/73/16/20/1205731620.db2.gz RXVRJJJQKUBEDW-HNNXBMFYSA-N 1 2 387.436 0.733 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCCC ZINC001110185802 1205737573 /nfs/dbraw/zinc/73/75/73/1205737573.db2.gz MMAFNTISKWMSOC-FZKCQIBNSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCCC ZINC001110185802 1205737575 /nfs/dbraw/zinc/73/75/75/1205737575.db2.gz MMAFNTISKWMSOC-FZKCQIBNSA-N 1 2 380.489 0.925 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(COC)n1)C2 ZINC001110190876 1205742509 /nfs/dbraw/zinc/74/25/09/1205742509.db2.gz VURNWNVMNCVVBX-CXTNEJHOSA-N 1 2 376.482 0.763 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(COC)n1)C2 ZINC001110190876 1205742511 /nfs/dbraw/zinc/74/25/11/1205742511.db2.gz VURNWNVMNCVVBX-CXTNEJHOSA-N 1 2 376.482 0.763 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(-n3cncn3)c1)C2 ZINC001110195859 1205749616 /nfs/dbraw/zinc/74/96/16/1205749616.db2.gz GSBZJTJUIAUADR-PMPSAXMXSA-N 1 2 381.440 0.300 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(-n3cncn3)c1)C2 ZINC001110195859 1205749617 /nfs/dbraw/zinc/74/96/17/1205749617.db2.gz GSBZJTJUIAUADR-PMPSAXMXSA-N 1 2 381.440 0.300 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nonc1C)C2 ZINC001110198161 1205755162 /nfs/dbraw/zinc/75/51/62/1205755162.db2.gz NVJFEKRPNLRWMO-NDBYEHHHSA-N 1 2 376.417 0.113 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nonc1C)C2 ZINC001110198161 1205755163 /nfs/dbraw/zinc/75/51/63/1205755163.db2.gz NVJFEKRPNLRWMO-NDBYEHHHSA-N 1 2 376.417 0.113 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nonc1C)C2 ZINC001110198162 1205755228 /nfs/dbraw/zinc/75/52/28/1205755228.db2.gz NVJFEKRPNLRWMO-RNJOBUHISA-N 1 2 376.417 0.113 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nonc1C)C2 ZINC001110198162 1205755229 /nfs/dbraw/zinc/75/52/29/1205755229.db2.gz NVJFEKRPNLRWMO-RNJOBUHISA-N 1 2 376.417 0.113 20 30 GCEDLO N#Cc1ccc(N2C[C@]3(COCCN(C(=O)Cc4c[nH+]c[nH]4)C3)OCC2=O)cc1 ZINC001176829298 1205755826 /nfs/dbraw/zinc/75/58/26/1205755826.db2.gz PHUXOMVJWUNJGI-HXUWFJFHSA-N 1 2 395.419 0.485 20 30 GCEDLO CCOC(=O)CO/N=C(\C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1)c1cc[nH]n1 ZINC001177263559 1205765504 /nfs/dbraw/zinc/76/55/04/1205765504.db2.gz VSIVZLCDDRTDJF-GICLCMKGSA-N 1 2 393.444 0.017 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2 ZINC001110214330 1205779318 /nfs/dbraw/zinc/77/93/18/1205779318.db2.gz DXOCENHSUNHWSF-BDXSIMOUSA-N 1 2 378.517 0.951 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2 ZINC001110214330 1205779319 /nfs/dbraw/zinc/77/93/19/1205779319.db2.gz DXOCENHSUNHWSF-BDXSIMOUSA-N 1 2 378.517 0.951 20 30 GCEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000773784229 1205796520 /nfs/dbraw/zinc/79/65/20/1205796520.db2.gz AZXCIGVMYCIULO-SJLPKXTDSA-N 1 2 398.463 0.310 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CCCO1 ZINC000773799192 1205801866 /nfs/dbraw/zinc/80/18/66/1205801866.db2.gz RPKAPBFNTWDKTF-OALUTQOASA-N 1 2 384.480 0.670 20 30 GCEDLO N#Cc1ccccc1CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181806376 1205850249 /nfs/dbraw/zinc/85/02/49/1205850249.db2.gz YMQLUIJICIOPBK-IRXDYDNUSA-N 1 2 394.435 0.028 20 30 GCEDLO N#Cc1ccccc1CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181806376 1205850252 /nfs/dbraw/zinc/85/02/52/1205850252.db2.gz YMQLUIJICIOPBK-IRXDYDNUSA-N 1 2 394.435 0.028 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C#Cc3ccc(OC)cc3)C2)C1 ZINC001182046097 1205854379 /nfs/dbraw/zinc/85/43/79/1205854379.db2.gz DWNMUKAKKRODDD-QFIPXVFZSA-N 1 2 399.491 0.734 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C#Cc3ccc(OC)cc3)C2)C1 ZINC001182046097 1205854380 /nfs/dbraw/zinc/85/43/80/1205854380.db2.gz DWNMUKAKKRODDD-QFIPXVFZSA-N 1 2 399.491 0.734 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCCO1)C2 ZINC001110311351 1205873470 /nfs/dbraw/zinc/87/34/70/1205873470.db2.gz XMIXWGLUKISUER-FPCVCCKLSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCCO1)C2 ZINC001110311351 1205873472 /nfs/dbraw/zinc/87/34/72/1205873472.db2.gz XMIXWGLUKISUER-FPCVCCKLSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CC[NH+]1CCN(C(=O)C2=C([C@H]3CCCO3)S[C@@H]3[C@@H]([C@@H](C)O)C(=O)N23)CC1 ZINC001183460644 1205893218 /nfs/dbraw/zinc/89/32/18/1205893218.db2.gz VAUNMGYAEALVRT-VYGYDYRJSA-N 1 2 393.509 0.619 20 30 GCEDLO CS(=O)(=O)N1CC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183839612 1205901302 /nfs/dbraw/zinc/90/13/02/1205901302.db2.gz ZKKAALRGFSWPFO-QGZVFWFLSA-N 1 2 376.482 0.673 20 30 GCEDLO CS(=O)(=O)N1CC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183839612 1205901303 /nfs/dbraw/zinc/90/13/03/1205901303.db2.gz ZKKAALRGFSWPFO-QGZVFWFLSA-N 1 2 376.482 0.673 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1C)C2 ZINC001110348249 1205907707 /nfs/dbraw/zinc/90/77/07/1205907707.db2.gz XLKYQBZWPFJOKX-ZRJCITRHSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1C)C2 ZINC001110348249 1205907709 /nfs/dbraw/zinc/90/77/09/1205907709.db2.gz XLKYQBZWPFJOKX-ZRJCITRHSA-N 1 2 375.429 0.718 20 30 GCEDLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1 ZINC001184378686 1205908632 /nfs/dbraw/zinc/90/86/32/1205908632.db2.gz CDIAUFJEKVKWQF-JKSUJKDBSA-N 1 2 397.391 0.897 20 30 GCEDLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1 ZINC001184378686 1205908634 /nfs/dbraw/zinc/90/86/34/1205908634.db2.gz CDIAUFJEKVKWQF-JKSUJKDBSA-N 1 2 397.391 0.897 20 30 GCEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1CN(c2cccc(C#N)c2)C(=O)O1 ZINC001184380824 1205908788 /nfs/dbraw/zinc/90/87/88/1205908788.db2.gz ONAWMODZGWLZAQ-JKSUJKDBSA-N 1 2 397.391 0.517 20 30 GCEDLO COc1nc(C(=NC(=O)[C@@H]2C[N@H+](C)CCN2C)NO)ccc1-n1cnc(C)c1 ZINC001185269826 1205920334 /nfs/dbraw/zinc/92/03/34/1205920334.db2.gz QFXXUOCKULIETM-HNNXBMFYSA-N 1 2 387.444 0.082 20 30 GCEDLO COc1nc(C(=NC(=O)[C@@H]2C[N@@H+](C)CCN2C)NO)ccc1-n1cnc(C)c1 ZINC001185269826 1205920336 /nfs/dbraw/zinc/92/03/36/1205920336.db2.gz QFXXUOCKULIETM-HNNXBMFYSA-N 1 2 387.444 0.082 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC=C ZINC001110365997 1205926567 /nfs/dbraw/zinc/92/65/67/1205926567.db2.gz GHUTZDOQYRXIEL-FPCVCCKLSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC=C ZINC001110365997 1205926568 /nfs/dbraw/zinc/92/65/68/1205926568.db2.gz GHUTZDOQYRXIEL-FPCVCCKLSA-N 1 2 378.473 0.701 20 30 GCEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001185961918 1205932833 /nfs/dbraw/zinc/93/28/33/1205932833.db2.gz HCEZWFVEBLVCDT-NADOGSGZSA-N 1 2 399.495 0.604 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)N[C@@H](C#N)C(N)=O)C1 ZINC001186850970 1205949443 /nfs/dbraw/zinc/94/94/43/1205949443.db2.gz YFFLCELAOKHPTO-MELADBBJSA-N 1 2 379.461 0.344 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)N[C@@H](C#N)C(N)=O)C1 ZINC001186850970 1205949444 /nfs/dbraw/zinc/94/94/44/1205949444.db2.gz YFFLCELAOKHPTO-MELADBBJSA-N 1 2 379.461 0.344 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC001110401844 1205991085 /nfs/dbraw/zinc/99/10/85/1205991085.db2.gz PKUZQUQXKNQDES-DBIOUOCHSA-N 1 2 375.351 0.256 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC001110401844 1205991089 /nfs/dbraw/zinc/99/10/89/1205991089.db2.gz PKUZQUQXKNQDES-DBIOUOCHSA-N 1 2 375.351 0.256 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nonc1C)C2 ZINC001111505313 1205994511 /nfs/dbraw/zinc/99/45/11/1205994511.db2.gz NVJFEKRPNLRWMO-LPWJVIDDSA-N 1 2 376.417 0.113 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nonc1C)C2 ZINC001111505313 1205994514 /nfs/dbraw/zinc/99/45/14/1205994514.db2.gz NVJFEKRPNLRWMO-LPWJVIDDSA-N 1 2 376.417 0.113 20 30 GCEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C#N)c(OC)n1 ZINC001164697259 719846361 /nfs/dbraw/zinc/84/63/61/719846361.db2.gz CEPUOOPELWVLNJ-KSSFIOAISA-N 1 2 375.429 0.590 20 30 GCEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(CC#N)ccn1)CC2 ZINC001164709278 719918349 /nfs/dbraw/zinc/91/83/49/719918349.db2.gz SFRBTWZHPUKGMC-UHFFFAOYSA-N 1 2 379.468 0.831 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C#N)ccc3[N+](=O)[O-])C2)C1 ZINC001164718079 720246454 /nfs/dbraw/zinc/24/64/54/720246454.db2.gz CCKBKAYQGKSPCL-GOSISDBHSA-N 1 2 388.428 0.526 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C#N)ccc3[N+](=O)[O-])C2)C1 ZINC001164718079 720246462 /nfs/dbraw/zinc/24/64/62/720246462.db2.gz CCKBKAYQGKSPCL-GOSISDBHSA-N 1 2 388.428 0.526 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164723227 720273194 /nfs/dbraw/zinc/27/31/94/720273194.db2.gz UWYDPIFAZYRJEU-LJQANCHMSA-N 1 2 383.456 0.494 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164723227 720273206 /nfs/dbraw/zinc/27/32/06/720273206.db2.gz UWYDPIFAZYRJEU-LJQANCHMSA-N 1 2 383.456 0.494 20 30 GCEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc(C#N)cn1)C2 ZINC001164821882 720436832 /nfs/dbraw/zinc/43/68/32/720436832.db2.gz ADBWVFGMCJQZIS-OAHLLOKOSA-N 1 2 383.456 0.534 20 30 GCEDLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(C#N)n1 ZINC001164832244 720458002 /nfs/dbraw/zinc/45/80/02/720458002.db2.gz RSJFFYQAPGDBFA-MRXNPFEDSA-N 1 2 397.483 0.843 20 30 GCEDLO COc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1C#N ZINC001164910418 721774398 /nfs/dbraw/zinc/77/43/98/721774398.db2.gz BQZYKYHHGHJUOG-FQEVSTJZSA-N 1 2 396.451 0.860 20 30 GCEDLO COc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1C#N ZINC001164910418 721774402 /nfs/dbraw/zinc/77/44/02/721774402.db2.gz BQZYKYHHGHJUOG-FQEVSTJZSA-N 1 2 396.451 0.860 20 30 GCEDLO C#CCN(C(=O)Cn1cc[nH+]c1)C1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001573283591 946719015 /nfs/dbraw/zinc/71/90/15/946719015.db2.gz UEGIWOXDXQFFJX-UHFFFAOYSA-N 1 2 391.439 0.589 20 30 GCEDLO C#CCN1CCC[C@H]1C(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001573285700 946785598 /nfs/dbraw/zinc/78/55/98/946785598.db2.gz LKZLFNPMCWTFBJ-KRWDZBQOSA-N 1 2 380.456 0.444 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)C1 ZINC001573564761 946997696 /nfs/dbraw/zinc/99/76/96/946997696.db2.gz KHNPHVDJZQXDQD-ZFWWWQNUSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001573577445 947168787 /nfs/dbraw/zinc/16/87/87/947168787.db2.gz POHQKSPYYCKXKJ-HIFRSBDPSA-N 1 2 381.440 0.876 20 30 GCEDLO C[C@@H](C#N)C(=O)NCCN1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573583078 947197918 /nfs/dbraw/zinc/19/79/18/947197918.db2.gz IOJYHCXXEVYZFK-ZDUSSCGKSA-N 1 2 386.435 0.399 20 30 GCEDLO N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000826383393 948182855 /nfs/dbraw/zinc/18/28/55/948182855.db2.gz YOBNVEYNESOREU-UHFFFAOYSA-N 1 2 377.412 0.279 20 30 GCEDLO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1-c1nn[nH]n1 ZINC000826388154 948191925 /nfs/dbraw/zinc/19/19/25/948191925.db2.gz KJQXIUIYJYYKMD-UHFFFAOYSA-N 1 2 377.412 0.279 20 30 GCEDLO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1-c1nn[nH]n1 ZINC000826388400 948194368 /nfs/dbraw/zinc/19/43/68/948194368.db2.gz WQIHGAXALSQOQG-UHFFFAOYSA-N 1 2 383.441 0.341 20 30 GCEDLO N#Cc1ccc(OCC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1Br ZINC000579674080 530192455 /nfs/dbraw/zinc/19/24/55/530192455.db2.gz XYYBLDKSQPOKGI-ZDUSSCGKSA-N 1 2 379.258 0.816 20 30 GCEDLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1(C#N)CCC1 ZINC000565477010 530174494 /nfs/dbraw/zinc/17/44/94/530174494.db2.gz WKPMNAIWOJKZKB-UHFFFAOYSA-N 1 2 385.511 0.994 20 30 GCEDLO COCCN(CCC#N)S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000409513694 530229669 /nfs/dbraw/zinc/22/96/69/530229669.db2.gz NJOSBVHCNSLKQM-UHFFFAOYSA-N 1 2 376.523 0.383 20 30 GCEDLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409549227 530230066 /nfs/dbraw/zinc/23/00/66/530230066.db2.gz AULPLZDGWHPLEZ-GJZGRUSLSA-N 1 2 394.563 0.154 20 30 GCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000580212361 530343942 /nfs/dbraw/zinc/34/39/42/530343942.db2.gz IZBRVMDGVGSRSM-NSHDSACASA-N 1 2 383.455 0.991 20 30 GCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C[C@@H]1C ZINC000594628036 530432889 /nfs/dbraw/zinc/43/28/89/530432889.db2.gz YCFPPYWFHCIOHY-ZDUSSCGKSA-N 1 2 386.499 0.203 20 30 GCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C[C@@H]1C ZINC000594628036 530432890 /nfs/dbraw/zinc/43/28/90/530432890.db2.gz YCFPPYWFHCIOHY-ZDUSSCGKSA-N 1 2 386.499 0.203 20 30 GCEDLO CN(CCC#N)S(=O)(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601514393 530478284 /nfs/dbraw/zinc/47/82/84/530478284.db2.gz GHUOTAMPMOVPEP-UHFFFAOYSA-N 1 2 384.527 0.431 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000518796143 530495011 /nfs/dbraw/zinc/49/50/11/530495011.db2.gz TZRBIQCYFKIDFP-CYBMUJFWSA-N 1 2 386.499 0.203 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000123551280 530516803 /nfs/dbraw/zinc/51/68/03/530516803.db2.gz GXEVYWWDHIKJAM-UHFFFAOYSA-N 1 2 383.901 0.927 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000123551280 530516804 /nfs/dbraw/zinc/51/68/04/530516804.db2.gz GXEVYWWDHIKJAM-UHFFFAOYSA-N 1 2 383.901 0.927 20 30 GCEDLO C[C@H](CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000330463765 530520117 /nfs/dbraw/zinc/52/01/17/530520117.db2.gz NZJOXQDSWIYIED-CABCVRRESA-N 1 2 376.523 0.415 20 30 GCEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CCO1 ZINC000330738558 530524917 /nfs/dbraw/zinc/52/49/17/530524917.db2.gz ZHPIDILUDPNSKI-KGLIPLIRSA-N 1 2 376.523 0.461 20 30 GCEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CCO1 ZINC000330738558 530524918 /nfs/dbraw/zinc/52/49/18/530524918.db2.gz ZHPIDILUDPNSKI-KGLIPLIRSA-N 1 2 376.523 0.461 20 30 GCEDLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451004664 530571721 /nfs/dbraw/zinc/57/17/21/530571721.db2.gz XEGCMCYXEYFRDB-HNNXBMFYSA-N 1 2 391.559 0.841 20 30 GCEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c(C#N)c1C ZINC000267378666 530575968 /nfs/dbraw/zinc/57/59/68/530575968.db2.gz MBCPZASCULPAJZ-GFCCVEGCSA-N 1 2 385.515 0.680 20 30 GCEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c(C#N)c1C ZINC000267378666 530575969 /nfs/dbraw/zinc/57/59/69/530575969.db2.gz MBCPZASCULPAJZ-GFCCVEGCSA-N 1 2 385.515 0.680 20 30 GCEDLO CC[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CC1 ZINC000349475924 530647033 /nfs/dbraw/zinc/64/70/33/530647033.db2.gz YSMBRZSZCDQQCK-UHFFFAOYSA-N 1 2 386.499 0.157 20 30 GCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419698700 530862116 /nfs/dbraw/zinc/86/21/16/530862116.db2.gz ZTGFARCIZXKKLV-LLVKDONJSA-N 1 2 395.257 0.784 20 30 GCEDLO CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000349445496 530872876 /nfs/dbraw/zinc/87/28/76/530872876.db2.gz GALZKEPMMKHCPH-AWEZNQCLSA-N 1 2 386.499 0.728 20 30 GCEDLO C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000349602543 530910205 /nfs/dbraw/zinc/91/02/05/530910205.db2.gz BIMQCUJLFBTOOQ-ZDUSSCGKSA-N 1 2 386.499 0.728 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000349500497 530883132 /nfs/dbraw/zinc/88/31/32/530883132.db2.gz DZWMXXCUWBLSJP-ZNMIVQPWSA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000349500497 530883134 /nfs/dbraw/zinc/88/31/34/530883134.db2.gz DZWMXXCUWBLSJP-ZNMIVQPWSA-N 1 2 394.563 0.198 20 30 GCEDLO C=CCN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000349531601 530884368 /nfs/dbraw/zinc/88/43/68/530884368.db2.gz KYPWBDLZVJPGJL-UHFFFAOYSA-N 1 2 388.515 0.505 20 30 GCEDLO CN(C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000372469548 530891535 /nfs/dbraw/zinc/89/15/35/530891535.db2.gz YMWDTPQVBAAWPE-UHFFFAOYSA-N 1 2 384.889 0.996 20 30 GCEDLO CN(C)C(=O)C[N@H+]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000372469548 530891537 /nfs/dbraw/zinc/89/15/37/530891537.db2.gz YMWDTPQVBAAWPE-UHFFFAOYSA-N 1 2 384.889 0.996 20 30 GCEDLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509421930 530918322 /nfs/dbraw/zinc/91/83/22/530918322.db2.gz AOVBBVAIXZVKHT-LSDHHAIUSA-N 1 2 394.563 0.296 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000266978242 531004294 /nfs/dbraw/zinc/00/42/94/531004294.db2.gz DUOKSIIHNLBRLZ-UHFFFAOYSA-N 1 2 385.540 0.203 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000266978242 531004298 /nfs/dbraw/zinc/00/42/98/531004298.db2.gz DUOKSIIHNLBRLZ-UHFFFAOYSA-N 1 2 385.540 0.203 20 30 GCEDLO COc1nc(N)nc(N2CCCC2)c1C=[NH+]NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821910880 607252693 /nfs/dbraw/zinc/25/26/93/607252693.db2.gz JMCNBMKOXYNHOK-UHFFFAOYSA-N 1 2 394.443 0.971 20 30 GCEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(-c3nn[nH]n3)nc3ccccc32)CC1 ZINC000735432832 599261792 /nfs/dbraw/zinc/26/17/92/599261792.db2.gz WOCSLHIBTKMZGQ-UHFFFAOYSA-N 1 2 378.440 0.839 20 30 GCEDLO NC(=[NH+]OCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CCO2 ZINC000826388347 607811206 /nfs/dbraw/zinc/81/12/06/607811206.db2.gz STMGONOMABXQPC-UHFFFAOYSA-N 1 2 393.407 0.755 20 30 GCEDLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[NH+]3CCC(CC#N)CC3)CC2)o1 ZINC000826322766 609430863 /nfs/dbraw/zinc/43/08/63/609430863.db2.gz AQBDTQDHQRYIRG-UHFFFAOYSA-N 1 2 399.459 0.437 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000932038563 641996966 /nfs/dbraw/zinc/99/69/66/641996966.db2.gz LZTBRHDVRIUNKA-UHFFFAOYSA-N 1 2 395.257 0.447 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]cc2Br)CC1 ZINC000932038563 641996971 /nfs/dbraw/zinc/99/69/71/641996971.db2.gz LZTBRHDVRIUNKA-UHFFFAOYSA-N 1 2 395.257 0.447 20 30 GCEDLO N#Cc1c(Cl)nsc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001041421242 642074971 /nfs/dbraw/zinc/07/49/71/642074971.db2.gz ISYSBMXRNYARSM-GAJNKVMBSA-N 1 2 378.845 0.861 20 30 GCEDLO N#Cc1c(Cl)nsc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001041421242 642074979 /nfs/dbraw/zinc/07/49/79/642074979.db2.gz ISYSBMXRNYARSM-GAJNKVMBSA-N 1 2 378.845 0.861 20 30 GCEDLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834494075 642213419 /nfs/dbraw/zinc/21/34/19/642213419.db2.gz JTMBWYCYLKOGDI-KOLCDFICSA-N 1 2 380.455 0.124 20 30 GCEDLO CCOC(=O)CO/N=C(/C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1)c1cc[nH]n1 ZINC000278876399 1192319412 /nfs/dbraw/zinc/31/94/12/1192319412.db2.gz YDDQAQZVTCKVEZ-IIZPDRCKSA-N 1 2 383.474 0.198 20 30 GCEDLO C=CCCOCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000636825508 1192323443 /nfs/dbraw/zinc/32/34/43/1192323443.db2.gz BKFCBYJHMMYCRL-UHFFFAOYSA-N 1 2 378.498 0.960 20 30 GCEDLO N#CCN1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000585685278 1192367466 /nfs/dbraw/zinc/36/74/66/1192367466.db2.gz JXYUHQJUJUGORS-IBGZPJMESA-N 1 2 399.495 0.108 20 30 GCEDLO N#CCN1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000585685278 1192367471 /nfs/dbraw/zinc/36/74/71/1192367471.db2.gz JXYUHQJUJUGORS-IBGZPJMESA-N 1 2 399.495 0.108 20 30 GCEDLO N#CCN1CCC(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000585722361 1192397547 /nfs/dbraw/zinc/39/75/47/1192397547.db2.gz WBNVDLYXZRUEQA-UHFFFAOYSA-N 1 2 398.511 0.029 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058875029 1192414257 /nfs/dbraw/zinc/41/42/57/1192414257.db2.gz FYPNACNEFUXWKH-ANQUJSFKSA-N 1 2 376.457 0.052 20 30 GCEDLO C=CCN1CC[C@@H](N(C)c2nc(N(C)[C@H]3CCN(CC=C)C3=O)cc[nH+]2)C1=O ZINC000893668774 1192510063 /nfs/dbraw/zinc/51/00/63/1192510063.db2.gz OXUPKGFWBJDBGA-JKSUJKDBSA-N 1 2 384.484 0.923 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)n2ccc3ccccc3c2=O)CC1 ZINC000279313894 1192520024 /nfs/dbraw/zinc/52/00/24/1192520024.db2.gz BBRMRKBMGNMFRL-QGZVFWFLSA-N 1 2 394.475 0.846 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)n2ccc3ccccc3c2=O)CC1 ZINC000279313894 1192520028 /nfs/dbraw/zinc/52/00/28/1192520028.db2.gz BBRMRKBMGNMFRL-QGZVFWFLSA-N 1 2 394.475 0.846 20 30 GCEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000610194566 1184257017 /nfs/dbraw/zinc/25/70/17/1184257017.db2.gz LVYDBTKQIURKFR-UHFFFAOYSA-N 1 2 390.469 0.542 20 30 GCEDLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000610194579 1184257333 /nfs/dbraw/zinc/25/73/33/1184257333.db2.gz NAHKBRSWXOIPMT-UHFFFAOYSA-N 1 2 376.442 0.233 20 30 GCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC000969418551 1184303640 /nfs/dbraw/zinc/30/36/40/1184303640.db2.gz KWWFIFMHNUCGIP-MLYOOKFZSA-N 1 2 392.459 0.436 20 30 GCEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)s1 ZINC001083191754 1184390117 /nfs/dbraw/zinc/39/01/17/1184390117.db2.gz PQAOYXAIQWNPKT-CAOSSQGBSA-N 1 2 390.465 0.064 20 30 GCEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)s1 ZINC001083191754 1184390121 /nfs/dbraw/zinc/39/01/21/1184390121.db2.gz PQAOYXAIQWNPKT-CAOSSQGBSA-N 1 2 390.465 0.064 20 30 GCEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000328647551 1184580353 /nfs/dbraw/zinc/58/03/53/1184580353.db2.gz HONWWGBYWKTPDT-INIZCTEOSA-N 1 2 375.473 0.999 20 30 GCEDLO C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000155355101 1184627534 /nfs/dbraw/zinc/62/75/34/1184627534.db2.gz GSVWGDKPWDTMRS-KBPBESRZSA-N 1 2 375.454 0.874 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CCn3c(C)csc3=O)C[C@@H]21 ZINC001083198548 1184675069 /nfs/dbraw/zinc/67/50/69/1184675069.db2.gz BTSBHKVXDSPYGP-LTIDMASMSA-N 1 2 393.509 0.721 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CCn3c(C)csc3=O)C[C@@H]21 ZINC001083198548 1184675073 /nfs/dbraw/zinc/67/50/73/1184675073.db2.gz BTSBHKVXDSPYGP-LTIDMASMSA-N 1 2 393.509 0.721 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)c2)CC1 ZINC000275721152 1184976161 /nfs/dbraw/zinc/97/61/61/1184976161.db2.gz UFLFYEDVZDFYPU-SFHVURJKSA-N 1 2 399.451 0.040 20 30 GCEDLO COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3c(=O)[nH]cc(C#N)c3=O)CC2)cc1 ZINC000580193410 1185112081 /nfs/dbraw/zinc/11/20/81/1185112081.db2.gz ARKCKFNZKDRRST-UHFFFAOYSA-N 1 2 397.435 0.151 20 30 GCEDLO COc1ccc(C[N@H+]2CCCN(C(=O)Cn3c(=O)[nH]cc(C#N)c3=O)CC2)cc1 ZINC000580193410 1185112087 /nfs/dbraw/zinc/11/20/87/1185112087.db2.gz ARKCKFNZKDRRST-UHFFFAOYSA-N 1 2 397.435 0.151 20 30 GCEDLO N#Cc1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000013726187 1185224771 /nfs/dbraw/zinc/22/47/71/1185224771.db2.gz CTZOGUFGLHYUBX-UHFFFAOYSA-N 1 2 399.476 0.835 20 30 GCEDLO N#CC1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000580810626 1185373437 /nfs/dbraw/zinc/37/34/37/1185373437.db2.gz URPHRRYBKJGHPQ-UHFFFAOYSA-N 1 2 392.485 0.136 20 30 GCEDLO COC(=O)C1CCN(C(=O)CO[NH+]=C(N)c2ccc(OC)c(OC)c2)CC1 ZINC000070847646 1185666126 /nfs/dbraw/zinc/66/61/26/1185666126.db2.gz XXBFJLPEZCJLSX-UHFFFAOYSA-N 1 2 379.413 0.752 20 30 GCEDLO C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)nn1 ZINC001022013596 1185762799 /nfs/dbraw/zinc/76/27/99/1185762799.db2.gz FHPCBISCOSVDQK-ZOMKSWQUSA-N 1 2 381.440 0.664 20 30 GCEDLO C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)nn1 ZINC001022013596 1185762804 /nfs/dbraw/zinc/76/28/04/1185762804.db2.gz FHPCBISCOSVDQK-ZOMKSWQUSA-N 1 2 381.440 0.664 20 30 GCEDLO CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccn[nH]1 ZINC000276536766 1185875055 /nfs/dbraw/zinc/87/50/55/1185875055.db2.gz FRDJGFHUFJEFQF-LQFHHUIYSA-N 1 2 393.444 0.017 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)C1 ZINC000891607635 1185938155 /nfs/dbraw/zinc/93/81/55/1185938155.db2.gz OYBHTNBHYOBPGA-QGZVFWFLSA-N 1 2 384.436 0.791 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)C1 ZINC000891607635 1185938158 /nfs/dbraw/zinc/93/81/58/1185938158.db2.gz OYBHTNBHYOBPGA-QGZVFWFLSA-N 1 2 384.436 0.791 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)C1 ZINC000891607959 1185939069 /nfs/dbraw/zinc/93/90/69/1185939069.db2.gz RSBVSTPMVCYOPF-RHSMWYFYSA-N 1 2 385.420 0.167 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)C1 ZINC000891607959 1185939073 /nfs/dbraw/zinc/93/90/73/1185939073.db2.gz RSBVSTPMVCYOPF-RHSMWYFYSA-N 1 2 385.420 0.167 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000891605612 1185939341 /nfs/dbraw/zinc/93/93/41/1185939341.db2.gz HLTOEDBSLYZKGH-OAHLLOKOSA-N 1 2 377.466 0.633 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000891605612 1185939343 /nfs/dbraw/zinc/93/93/43/1185939343.db2.gz HLTOEDBSLYZKGH-OAHLLOKOSA-N 1 2 377.466 0.633 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)C1 ZINC000891607096 1185940957 /nfs/dbraw/zinc/94/09/57/1185940957.db2.gz LYRWLZYMLRFZAY-CYBMUJFWSA-N 1 2 376.844 0.852 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)NC)c(Cl)c2)C1 ZINC000891607096 1185940963 /nfs/dbraw/zinc/94/09/63/1185940963.db2.gz LYRWLZYMLRFZAY-CYBMUJFWSA-N 1 2 376.844 0.852 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000891608774 1185942067 /nfs/dbraw/zinc/94/20/67/1185942067.db2.gz YUEOIITVBPHTHD-MRXNPFEDSA-N 1 2 395.463 0.637 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000891608774 1185942071 /nfs/dbraw/zinc/94/20/71/1185942071.db2.gz YUEOIITVBPHTHD-MRXNPFEDSA-N 1 2 395.463 0.637 20 30 GCEDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000156464023 1185971961 /nfs/dbraw/zinc/97/19/61/1185971961.db2.gz ACHSVEUKJSTUTH-UHFFFAOYSA-N 1 2 382.461 0.966 20 30 GCEDLO CCOC(=O)CON=C(C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccn[nH]1 ZINC000276695221 1185972529 /nfs/dbraw/zinc/97/25/29/1185972529.db2.gz QMCNOJQPGJAQDQ-JUVXEETASA-N 1 2 395.460 0.309 20 30 GCEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000276909068 1186143867 /nfs/dbraw/zinc/14/38/67/1186143867.db2.gz PZAYKXRZDBNDFV-GOSISDBHSA-N 1 2 385.468 0.633 20 30 GCEDLO C#CC[N@@H+](C)CC(=O)N(CCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000277012756 1186228610 /nfs/dbraw/zinc/22/86/10/1186228610.db2.gz PYNFLHBJZUNFIV-UHFFFAOYSA-N 1 2 383.452 0.887 20 30 GCEDLO C#CC[N@H+](C)CC(=O)N(CCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000277012756 1186228616 /nfs/dbraw/zinc/22/86/16/1186228616.db2.gz PYNFLHBJZUNFIV-UHFFFAOYSA-N 1 2 383.452 0.887 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000277053462 1186233080 /nfs/dbraw/zinc/23/30/80/1186233080.db2.gz IFSAQJVBBHZLGM-HZPDHXFCSA-N 1 2 394.516 0.819 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000277053462 1186233087 /nfs/dbraw/zinc/23/30/87/1186233087.db2.gz IFSAQJVBBHZLGM-HZPDHXFCSA-N 1 2 394.516 0.819 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000277053459 1186233280 /nfs/dbraw/zinc/23/32/80/1186233280.db2.gz IFSAQJVBBHZLGM-HOTGVXAUSA-N 1 2 394.516 0.819 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000277053459 1186233285 /nfs/dbraw/zinc/23/32/85/1186233285.db2.gz IFSAQJVBBHZLGM-HOTGVXAUSA-N 1 2 394.516 0.819 20 30 GCEDLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(C#N)c1 ZINC000610952299 1186265680 /nfs/dbraw/zinc/26/56/80/1186265680.db2.gz KFWGRIOZNMDVDJ-HNNXBMFYSA-N 1 2 396.451 0.903 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCOCC(F)(F)C(F)F)CC1 ZINC000277208093 1186294185 /nfs/dbraw/zinc/29/41/85/1186294185.db2.gz GICFWCSYXZCTKE-UHFFFAOYSA-N 1 2 381.370 0.577 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCOCC(F)(F)C(F)F)CC1 ZINC000277208093 1186294188 /nfs/dbraw/zinc/29/41/88/1186294188.db2.gz GICFWCSYXZCTKE-UHFFFAOYSA-N 1 2 381.370 0.577 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1 ZINC000277557817 1186502911 /nfs/dbraw/zinc/50/29/11/1186502911.db2.gz VDUGFJYFPGYIOU-UHFFFAOYSA-N 1 2 380.448 0.436 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1 ZINC000277557817 1186502913 /nfs/dbraw/zinc/50/29/13/1186502913.db2.gz VDUGFJYFPGYIOU-UHFFFAOYSA-N 1 2 380.448 0.436 20 30 GCEDLO C=CCn1c(=O)c2ccc(C(=O)NCCCN3CC[NH2+]CC3)cc2[nH]c1=S ZINC000237998576 1186748756 /nfs/dbraw/zinc/74/87/56/1186748756.db2.gz CANAZAFJNLGUFJ-UHFFFAOYSA-N 1 2 387.509 0.896 20 30 GCEDLO N#Cc1cc(F)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000176396868 1186772066 /nfs/dbraw/zinc/77/20/66/1186772066.db2.gz YNFDOOWYONKLTH-CYBMUJFWSA-N 1 2 378.379 0.499 20 30 GCEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N[C@H]2CCC(=O)N(C)C2)CCC(=O)N1C1CC1 ZINC000329137444 1186864204 /nfs/dbraw/zinc/86/42/04/1186864204.db2.gz RKTDRTHIGQNKGB-WPKBUWHJSA-N 1 2 388.472 0.739 20 30 GCEDLO C=CCCOCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000536039165 1186864742 /nfs/dbraw/zinc/86/47/42/1186864742.db2.gz IYJWWLHQJTVBPP-UHFFFAOYSA-N 1 2 390.488 0.738 20 30 GCEDLO C=CCCOCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000536039165 1186864747 /nfs/dbraw/zinc/86/47/47/1186864747.db2.gz IYJWWLHQJTVBPP-UHFFFAOYSA-N 1 2 390.488 0.738 20 30 GCEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000728571066 1186891362 /nfs/dbraw/zinc/89/13/62/1186891362.db2.gz AWXUGYLAXTWVIF-MRXNPFEDSA-N 1 2 399.413 0.812 20 30 GCEDLO C[C@H](CNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)[NH+]1CCOCC1 ZINC000329468029 1186946151 /nfs/dbraw/zinc/94/61/51/1186946151.db2.gz XAKRONQCTPFYEF-MRXNPFEDSA-N 1 2 395.525 0.942 20 30 GCEDLO N#Cc1ccncc1N1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000584189471 1187012900 /nfs/dbraw/zinc/01/29/00/1187012900.db2.gz CVCGRUOACWOSKU-UHFFFAOYSA-N 1 2 391.479 0.819 20 30 GCEDLO CCC(=O)N1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329753249 1187031465 /nfs/dbraw/zinc/03/14/65/1187031465.db2.gz JWZJXIFBYMFZJN-HOTGVXAUSA-N 1 2 380.489 0.525 20 30 GCEDLO Cc1c(Cl)cnc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C#N ZINC000544066236 1187119089 /nfs/dbraw/zinc/11/90/89/1187119089.db2.gz NNHYJFMANMJGGG-UHFFFAOYSA-N 1 2 398.920 0.529 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1O ZINC001023916274 1187170631 /nfs/dbraw/zinc/17/06/31/1187170631.db2.gz ROMGZWUBAXPSJP-MKSNKDDYSA-N 1 2 390.484 0.412 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1O ZINC001023942332 1187182506 /nfs/dbraw/zinc/18/25/06/1187182506.db2.gz UXESUGSJBRIGKL-MMNPAVHPSA-N 1 2 384.436 0.617 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1O ZINC001023961878 1187194958 /nfs/dbraw/zinc/19/49/58/1187194958.db2.gz MLYJEDSWAIWPGK-VQHPVUNQSA-N 1 2 390.484 0.596 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001024384417 1187372036 /nfs/dbraw/zinc/37/20/36/1187372036.db2.gz VTOKTJUWKOHJKN-FPCVCCKLSA-N 1 2 376.457 0.206 20 30 GCEDLO Cc1nn(C)c(N2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC2)c1C#N ZINC000472439103 1187522747 /nfs/dbraw/zinc/52/27/47/1187522747.db2.gz JRRFSBVHPPOEJL-INIZCTEOSA-N 1 2 396.499 0.926 20 30 GCEDLO Cc1nn(C)c(N2CCN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC2)c1C#N ZINC000472439103 1187522749 /nfs/dbraw/zinc/52/27/49/1187522749.db2.gz JRRFSBVHPPOEJL-INIZCTEOSA-N 1 2 396.499 0.926 20 30 GCEDLO COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414108747 1187718271 /nfs/dbraw/zinc/71/82/71/1187718271.db2.gz MJBZCLFHNZDGDT-YWZLYKJASA-N 1 2 386.452 0.985 20 30 GCEDLO COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414108747 1187718274 /nfs/dbraw/zinc/71/82/74/1187718274.db2.gz MJBZCLFHNZDGDT-YWZLYKJASA-N 1 2 386.452 0.985 20 30 GCEDLO CC(C)Nc1nc(N2CCO[C@H](c3cccc(C#N)c3)C2)nc(NCCO)[nH+]1 ZINC000376394935 1187812546 /nfs/dbraw/zinc/81/25/46/1187812546.db2.gz ITOVCPBDROXXBS-INIZCTEOSA-N 1 2 383.456 0.389 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)OCc2ccccc2)CC1 ZINC000377548963 1188070620 /nfs/dbraw/zinc/07/06/20/1188070620.db2.gz QIZAXSSIQZKJBQ-UHFFFAOYSA-N 1 2 386.452 0.197 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)OCc2ccccc2)CC1 ZINC000377548963 1188070624 /nfs/dbraw/zinc/07/06/24/1188070624.db2.gz QIZAXSSIQZKJBQ-UHFFFAOYSA-N 1 2 386.452 0.197 20 30 GCEDLO CC(C)[NH+]1CCN([C@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)CC1 ZINC000377566771 1188074591 /nfs/dbraw/zinc/07/45/91/1188074591.db2.gz XDOFQRLXWCCSGV-SFHVURJKSA-N 1 2 391.541 0.827 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)CCN2CCC(C[NH+]3CCOCC3)CC2)nc1 ZINC000290430340 1189404889 /nfs/dbraw/zinc/40/48/89/1189404889.db2.gz VAVVWDITUUDEDR-UHFFFAOYSA-N 1 2 378.498 0.771 20 30 GCEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000925602957 1189661118 /nfs/dbraw/zinc/66/11/18/1189661118.db2.gz YGMLFXOVARCVOF-HZPDHXFCSA-N 1 2 387.488 0.679 20 30 GCEDLO Cc1nsc(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)c1C#N ZINC000290777611 1189806058 /nfs/dbraw/zinc/80/60/58/1189806058.db2.gz WBUQACJOOBDJHX-ZDUSSCGKSA-N 1 2 378.502 0.876 20 30 GCEDLO COCC(COC)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000411734527 1193786077 /nfs/dbraw/zinc/78/60/77/1193786077.db2.gz XUFINCZVSOVACY-UHFFFAOYSA-N 1 2 378.404 0.441 20 30 GCEDLO C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508819179 1193819536 /nfs/dbraw/zinc/81/95/36/1193819536.db2.gz XRTOHVPNDQSWKT-AWEZNQCLSA-N 1 2 391.501 0.796 20 30 GCEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000419352561 1193848838 /nfs/dbraw/zinc/84/88/38/1193848838.db2.gz IPXPQQQGAQNLPJ-IRXDYDNUSA-N 1 2 384.436 0.807 20 30 GCEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000419352561 1193848843 /nfs/dbraw/zinc/84/88/43/1193848843.db2.gz IPXPQQQGAQNLPJ-IRXDYDNUSA-N 1 2 384.436 0.807 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000729281713 1193910622 /nfs/dbraw/zinc/91/06/22/1193910622.db2.gz NBUHWIZZPBWXFN-UHFFFAOYSA-N 1 2 395.463 0.552 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000729281713 1193910623 /nfs/dbraw/zinc/91/06/23/1193910623.db2.gz NBUHWIZZPBWXFN-UHFFFAOYSA-N 1 2 395.463 0.552 20 30 GCEDLO COC(=O)Cn1cc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000433712904 1193937862 /nfs/dbraw/zinc/93/78/62/1193937862.db2.gz JPMNLVGCIUMFMH-UHFFFAOYSA-N 1 2 397.439 0.350 20 30 GCEDLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000366423062 1194064050 /nfs/dbraw/zinc/06/40/50/1194064050.db2.gz UKNWNBDZKPWIBF-AWEZNQCLSA-N 1 2 376.442 0.118 20 30 GCEDLO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000366423062 1194064051 /nfs/dbraw/zinc/06/40/51/1194064051.db2.gz UKNWNBDZKPWIBF-AWEZNQCLSA-N 1 2 376.442 0.118 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366559680 1194219045 /nfs/dbraw/zinc/21/90/45/1194219045.db2.gz VLYMJYNDIMAYND-GDBMZVCRSA-N 1 2 392.481 0.158 20 30 GCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421005388 1194282839 /nfs/dbraw/zinc/28/28/39/1194282839.db2.gz GGRXDZYZGKMJNV-ZDUSSCGKSA-N 1 2 397.457 0.565 20 30 GCEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421005388 1194282843 /nfs/dbraw/zinc/28/28/43/1194282843.db2.gz GGRXDZYZGKMJNV-ZDUSSCGKSA-N 1 2 397.457 0.565 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1OCC ZINC000983034780 1194344071 /nfs/dbraw/zinc/34/40/71/1194344071.db2.gz IKAVDFSWRADHQA-WCXIOVBPSA-N 1 2 376.457 0.454 20 30 GCEDLO C=CCn1cc(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000424908249 1194832440 /nfs/dbraw/zinc/83/24/40/1194832440.db2.gz NPBQYTCPHGLDMD-UHFFFAOYSA-N 1 2 383.456 0.604 20 30 GCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000434696320 1194860319 /nfs/dbraw/zinc/86/03/19/1194860319.db2.gz DNHOMMPHJRBRRH-GOSISDBHSA-N 1 2 379.549 0.721 20 30 GCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000434696320 1194860322 /nfs/dbraw/zinc/86/03/22/1194860322.db2.gz DNHOMMPHJRBRRH-GOSISDBHSA-N 1 2 379.549 0.721 20 30 GCEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000505536852 1194873626 /nfs/dbraw/zinc/87/36/26/1194873626.db2.gz UAWPLXMCPVCQAW-UHFFFAOYSA-N 1 2 381.498 0.992 20 30 GCEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000505536852 1194873627 /nfs/dbraw/zinc/87/36/27/1194873627.db2.gz UAWPLXMCPVCQAW-UHFFFAOYSA-N 1 2 381.498 0.992 20 30 GCEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000516557557 1195066824 /nfs/dbraw/zinc/06/68/24/1195066824.db2.gz UHPUYVVLDVSPHT-CYBMUJFWSA-N 1 2 390.444 0.712 20 30 GCEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000516557558 1195067156 /nfs/dbraw/zinc/06/71/56/1195067156.db2.gz UHPUYVVLDVSPHT-ZDUSSCGKSA-N 1 2 390.444 0.712 20 30 GCEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000437341263 1195097279 /nfs/dbraw/zinc/09/72/79/1195097279.db2.gz BVTKAKOSKUOPJT-MRXNPFEDSA-N 1 2 376.482 0.494 20 30 GCEDLO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000518287172 1195275365 /nfs/dbraw/zinc/27/53/65/1195275365.db2.gz YNNFIURZJGJNPC-OAHLLOKOSA-N 1 2 385.468 0.875 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000440084230 1195383571 /nfs/dbraw/zinc/38/35/71/1195383571.db2.gz VYHRRHZHVHBTNQ-HUUCEWRRSA-N 1 2 381.498 0.678 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000440084230 1195383573 /nfs/dbraw/zinc/38/35/73/1195383573.db2.gz VYHRRHZHVHBTNQ-HUUCEWRRSA-N 1 2 381.498 0.678 20 30 GCEDLO C=CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000440295272 1195403038 /nfs/dbraw/zinc/40/30/38/1195403038.db2.gz MTFBDABNGPFZIV-INIZCTEOSA-N 1 2 393.513 0.190 20 30 GCEDLO C=CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000440295272 1195403041 /nfs/dbraw/zinc/40/30/41/1195403041.db2.gz MTFBDABNGPFZIV-INIZCTEOSA-N 1 2 393.513 0.190 20 30 GCEDLO CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2c[nH+]cn2C)cc1 ZINC000519425239 1195405545 /nfs/dbraw/zinc/40/55/45/1195405545.db2.gz ITNRPPPLNLYVIC-UHFFFAOYSA-N 1 2 397.482 0.433 20 30 GCEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCNC1=O ZINC000440949667 1195591674 /nfs/dbraw/zinc/59/16/74/1195591674.db2.gz FKONLGWOSQTWSR-QZTJIDSGSA-N 1 2 387.459 0.745 20 30 GCEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCNC1=O ZINC000440949667 1195591676 /nfs/dbraw/zinc/59/16/76/1195591676.db2.gz FKONLGWOSQTWSR-QZTJIDSGSA-N 1 2 387.459 0.745 20 30 GCEDLO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000328716110 1195662350 /nfs/dbraw/zinc/66/23/50/1195662350.db2.gz TVECCOCNTWFECO-CVEARBPZSA-N 1 2 392.504 0.698 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cncnc2)CC3)CC1 ZINC000328849801 1195670858 /nfs/dbraw/zinc/67/08/58/1195670858.db2.gz RLXSCTKHTOFGRC-CQSZACIVSA-N 1 2 383.456 0.628 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cnns2)CC3)CC1 ZINC000328876826 1195673353 /nfs/dbraw/zinc/67/33/53/1195673353.db2.gz ZZLLPNCNCIOJCU-LBPRGKRZSA-N 1 2 389.485 0.689 20 30 GCEDLO CC(C)(CNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000330474780 1195689857 /nfs/dbraw/zinc/68/98/57/1195689857.db2.gz HXZWFJBRISSWBF-HNNXBMFYSA-N 1 2 390.550 0.805 20 30 GCEDLO COc1ccc(NC([O-])=[NH+]C[C@@H]2C[N@H+](C)CCN2C)cc1NS(C)(=O)=O ZINC000330756309 1195706307 /nfs/dbraw/zinc/70/63/07/1195706307.db2.gz ZFGOWDSVQDLIBL-CYBMUJFWSA-N 1 2 385.490 0.638 20 30 GCEDLO COc1ccc(NC([O-])=[NH+]C[C@@H]2C[N@@H+](C)CCN2C)cc1NS(C)(=O)=O ZINC000330756309 1195706311 /nfs/dbraw/zinc/70/63/11/1195706311.db2.gz ZFGOWDSVQDLIBL-CYBMUJFWSA-N 1 2 385.490 0.638 20 30 GCEDLO COc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1NS(C)(=O)=O ZINC000330756309 1195706314 /nfs/dbraw/zinc/70/63/14/1195706314.db2.gz ZFGOWDSVQDLIBL-CYBMUJFWSA-N 1 2 385.490 0.638 20 30 GCEDLO COc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1NS(C)(=O)=O ZINC000330756309 1195706317 /nfs/dbraw/zinc/70/63/17/1195706317.db2.gz ZFGOWDSVQDLIBL-CYBMUJFWSA-N 1 2 385.490 0.638 20 30 GCEDLO C[C@H](C[S@](C)=O)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000331131077 1195722386 /nfs/dbraw/zinc/72/23/86/1195722386.db2.gz QBODFCOCLYXHGL-SRGMZFCMSA-N 1 2 381.502 0.714 20 30 GCEDLO C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000331130376 1195722552 /nfs/dbraw/zinc/72/25/52/1195722552.db2.gz QBODFCOCLYXHGL-NRRJATNASA-N 1 2 381.502 0.714 20 30 GCEDLO C=CCOc1ccccc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000091811740 1195770124 /nfs/dbraw/zinc/77/01/24/1195770124.db2.gz RMTVQJHHWPLVKZ-UHFFFAOYSA-N 1 2 394.541 0.861 20 30 GCEDLO N#Cc1ccccc1S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000443031667 1196016590 /nfs/dbraw/zinc/01/65/90/1196016590.db2.gz YLJJMVDGIFQUJL-UHFFFAOYSA-N 1 2 399.476 0.970 20 30 GCEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000280863259 1196113889 /nfs/dbraw/zinc/11/38/89/1196113889.db2.gz KXXCDDKNILLUEN-OALUTQOASA-N 1 2 395.463 0.290 20 30 GCEDLO C=C(C)COCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000474805028 1196151383 /nfs/dbraw/zinc/15/13/83/1196151383.db2.gz AHVGRWIJTIVVMA-UHFFFAOYSA-N 1 2 390.488 0.738 20 30 GCEDLO C=C(C)COCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000474805028 1196151386 /nfs/dbraw/zinc/15/13/86/1196151386.db2.gz AHVGRWIJTIVVMA-UHFFFAOYSA-N 1 2 390.488 0.738 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000329019625 1196156725 /nfs/dbraw/zinc/15/67/25/1196156725.db2.gz LLIZPPXZTZLACE-AEFFLSMTSA-N 1 2 396.532 0.707 20 30 GCEDLO C[C@H]1CC[S@@](=O)CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329066833 1196161035 /nfs/dbraw/zinc/16/10/35/1196161035.db2.gz WSYCITLGGSSMHO-PGGUUEOZSA-N 1 2 393.513 0.858 20 30 GCEDLO CC(C)(CNC(=O)CN1CCCC[C@H]1C(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000329121497 1196166429 /nfs/dbraw/zinc/16/64/29/1196166429.db2.gz WFCUTYAIYXQCCL-KRWDZBQOSA-N 1 2 396.532 0.767 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2nc[nH]c2cc1F ZINC000329155374 1196169750 /nfs/dbraw/zinc/16/97/50/1196169750.db2.gz ATSXXJXODXHSOW-LBPRGKRZSA-N 1 2 375.404 0.940 20 30 GCEDLO Cc1cccn2c(=O)c(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc12 ZINC000329181491 1196173214 /nfs/dbraw/zinc/17/32/14/1196173214.db2.gz OQOZQPJBWKXQHY-OAHLLOKOSA-N 1 2 399.451 0.241 20 30 GCEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000329187681 1196173669 /nfs/dbraw/zinc/17/36/69/1196173669.db2.gz QXHWXBOMUPYANV-JKSUJKDBSA-N 1 2 387.550 0.036 20 30 GCEDLO C[N@@H+]1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000329239340 1196178656 /nfs/dbraw/zinc/17/86/56/1196178656.db2.gz LXOQSCLMNZHZFA-OAHLLOKOSA-N 1 2 382.486 0.769 20 30 GCEDLO C[N@H+]1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000329239340 1196178660 /nfs/dbraw/zinc/17/86/60/1196178660.db2.gz LXOQSCLMNZHZFA-OAHLLOKOSA-N 1 2 382.486 0.769 20 30 GCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000329239339 1196178830 /nfs/dbraw/zinc/17/88/30/1196178830.db2.gz LXOQSCLMNZHZFA-HNNXBMFYSA-N 1 2 382.486 0.769 20 30 GCEDLO C[N@H+]1CCO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000329239339 1196178831 /nfs/dbraw/zinc/17/88/31/1196178831.db2.gz LXOQSCLMNZHZFA-HNNXBMFYSA-N 1 2 382.486 0.769 20 30 GCEDLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000329319811 1196185340 /nfs/dbraw/zinc/18/53/40/1196185340.db2.gz DSXRDOTWOSSUAU-HNNXBMFYSA-N 1 2 387.550 0.589 20 30 GCEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000329475704 1196199334 /nfs/dbraw/zinc/19/93/34/1196199334.db2.gz PCQRLEZGJVUZKW-SFHVURJKSA-N 1 2 388.428 0.603 20 30 GCEDLO O=S(=O)(C1CC1)N1CCC[C@@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329487826 1196200466 /nfs/dbraw/zinc/20/04/66/1196200466.db2.gz RQGYYRSZVXJQMB-UONOGXRCSA-N 1 2 381.502 0.906 20 30 GCEDLO O=S(=O)(C1CC1)N1CCC[C@@H](NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329487826 1196200468 /nfs/dbraw/zinc/20/04/68/1196200468.db2.gz RQGYYRSZVXJQMB-UONOGXRCSA-N 1 2 381.502 0.906 20 30 GCEDLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329689227 1196221802 /nfs/dbraw/zinc/22/18/02/1196221802.db2.gz VPUUDNYDHALTSX-GDBMZVCRSA-N 1 2 396.513 0.238 20 30 GCEDLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329689227 1196221806 /nfs/dbraw/zinc/22/18/06/1196221806.db2.gz VPUUDNYDHALTSX-GDBMZVCRSA-N 1 2 396.513 0.238 20 30 GCEDLO O=C(C[C@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329721110 1196226911 /nfs/dbraw/zinc/22/69/11/1196226911.db2.gz AQGAZDSHVLUJBG-OAHLLOKOSA-N 1 2 382.486 0.917 20 30 GCEDLO C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CS2 ZINC000329726432 1196227297 /nfs/dbraw/zinc/22/72/97/1196227297.db2.gz DUNDEQQJSPZAFN-GLJUWKHASA-N 1 2 396.513 0.330 20 30 GCEDLO CC(C)N1CC[C@@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000329847431 1196234053 /nfs/dbraw/zinc/23/40/53/1196234053.db2.gz PHLUBNBKVSIVKX-OAHLLOKOSA-N 1 2 388.472 0.614 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCO[C@@]4(CCOC4)C3)ccn2)CC1 ZINC000329912885 1196238588 /nfs/dbraw/zinc/23/85/88/1196238588.db2.gz WZMXKKCWCCXAKG-IBGZPJMESA-N 1 2 389.456 0.506 20 30 GCEDLO O=C(Cn1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1)N1CCOCC1 ZINC000329995120 1196245104 /nfs/dbraw/zinc/24/51/04/1196245104.db2.gz MVWDMGYHZHWOHK-CQSZACIVSA-N 1 2 387.444 0.890 20 30 GCEDLO C[C@H]([C@H](C)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)[NH+]1CCOCC1 ZINC000330004145 1196245886 /nfs/dbraw/zinc/24/58/86/1196245886.db2.gz AVZAKECFXKAAIC-PMUMKWKESA-N 1 2 396.488 0.872 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000330044287 1196248452 /nfs/dbraw/zinc/24/84/52/1196248452.db2.gz FRSHMMUCKXFWTB-TZMCWYRMSA-N 1 2 392.460 0.733 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1coc(C2CCOCC2)n1 ZINC000330095657 1196252660 /nfs/dbraw/zinc/25/26/60/1196252660.db2.gz VXBOFXFLPJHMRK-HNNXBMFYSA-N 1 2 392.456 0.806 20 30 GCEDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1coc(C2CCOCC2)n1 ZINC000330095658 1196252723 /nfs/dbraw/zinc/25/27/23/1196252723.db2.gz VXBOFXFLPJHMRK-OAHLLOKOSA-N 1 2 392.456 0.806 20 30 GCEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000330170304 1196257625 /nfs/dbraw/zinc/25/76/25/1196257625.db2.gz WZWSEBCUVOVGEN-GUYCJALGSA-N 1 2 379.486 0.927 20 30 GCEDLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000330195140 1196259235 /nfs/dbraw/zinc/25/92/35/1196259235.db2.gz ZKCOTJQLQAAWER-UHFFFAOYSA-N 1 2 397.497 0.714 20 30 GCEDLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000330195140 1196259237 /nfs/dbraw/zinc/25/92/37/1196259237.db2.gz ZKCOTJQLQAAWER-UHFFFAOYSA-N 1 2 397.497 0.714 20 30 GCEDLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000280961414 1196268791 /nfs/dbraw/zinc/26/87/91/1196268791.db2.gz JRRIGRSMLBGNEI-HNNXBMFYSA-N 1 2 393.513 0.840 20 30 GCEDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc1 ZINC000281868529 1196341293 /nfs/dbraw/zinc/34/12/93/1196341293.db2.gz ASGJMUBBCSWGLA-MRXNPFEDSA-N 1 2 395.529 0.743 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088134615 1196373723 /nfs/dbraw/zinc/37/37/23/1196373723.db2.gz WYCGCXUIXOEYJA-CVYDXHPNSA-N 1 2 389.500 0.760 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088134615 1196373728 /nfs/dbraw/zinc/37/37/28/1196373728.db2.gz WYCGCXUIXOEYJA-CVYDXHPNSA-N 1 2 389.500 0.760 20 30 GCEDLO N#CCCn1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000444503827 1196498670 /nfs/dbraw/zinc/49/86/70/1196498670.db2.gz FPPOMURBUAVFIF-UHFFFAOYSA-N 1 2 381.440 1.437 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000525600999 1196692217 /nfs/dbraw/zinc/69/22/17/1196692217.db2.gz FOSWTKPQAADXDL-INIZCTEOSA-N 1 2 394.541 0.764 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000527148827 1196767926 /nfs/dbraw/zinc/76/79/26/1196767926.db2.gz ZILLLYTWAADDRP-CYBMUJFWSA-N 1 2 388.424 0.601 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)[C@H](C)C1 ZINC000527148827 1196767930 /nfs/dbraw/zinc/76/79/30/1196767930.db2.gz ZILLLYTWAADDRP-CYBMUJFWSA-N 1 2 388.424 0.601 20 30 GCEDLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(C#N)cc1 ZINC000448482188 1196806036 /nfs/dbraw/zinc/80/60/36/1196806036.db2.gz UNGIULIHDSCIQD-HNNXBMFYSA-N 1 2 396.451 0.903 20 30 GCEDLO COCc1noc(CN2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)n1 ZINC000528467275 1196862522 /nfs/dbraw/zinc/86/25/22/1196862522.db2.gz TYABYTSVBFHZJV-MRXNPFEDSA-N 1 2 387.440 0.645 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000532210647 1197126601 /nfs/dbraw/zinc/12/66/01/1197126601.db2.gz WCUQXEMNLXBLRQ-ZIAGYGMSSA-N 1 2 380.470 0.062 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000532210647 1197126603 /nfs/dbraw/zinc/12/66/03/1197126603.db2.gz WCUQXEMNLXBLRQ-ZIAGYGMSSA-N 1 2 380.470 0.062 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CC1 ZINC000171975995 1197159243 /nfs/dbraw/zinc/15/92/43/1197159243.db2.gz SMMSLMUBZHFLSF-OAHLLOKOSA-N 1 2 388.434 0.544 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CC1 ZINC000171975995 1197159245 /nfs/dbraw/zinc/15/92/45/1197159245.db2.gz SMMSLMUBZHFLSF-OAHLLOKOSA-N 1 2 388.434 0.544 20 30 GCEDLO N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000349472350 1197260076 /nfs/dbraw/zinc/26/00/76/1197260076.db2.gz PMRCHYIZDMQOGG-UHFFFAOYSA-N 1 2 398.510 0.205 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c1 ZINC000262141180 1197526033 /nfs/dbraw/zinc/52/60/33/1197526033.db2.gz ZDNQVIBWKGXWJZ-INIZCTEOSA-N 1 2 389.481 0.671 20 30 GCEDLO COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000273409136 1198983498 /nfs/dbraw/zinc/98/34/98/1198983498.db2.gz XTIZOVFSTGZTEL-UHFFFAOYSA-N 1 2 390.440 0.313 20 30 GCEDLO CCN(CCC#N)C(=O)CN1[C@H](C)C[N@@H+](CC(=O)N(CC)CCC#N)C[C@@H]1C ZINC000499758907 1199709316 /nfs/dbraw/zinc/70/93/16/1199709316.db2.gz GXILYIXTUUVYMG-HDICACEKSA-N 1 2 390.532 0.905 20 30 GCEDLO CCN(CCC#N)C(=O)CN1[C@H](C)C[N@H+](CC(=O)N(CC)CCC#N)C[C@@H]1C ZINC000499758907 1199709319 /nfs/dbraw/zinc/70/93/19/1199709319.db2.gz GXILYIXTUUVYMG-HDICACEKSA-N 1 2 390.532 0.905 20 30 GCEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328915810 1199827397 /nfs/dbraw/zinc/82/73/97/1199827397.db2.gz JXDSDPUTEHXZBV-HNNXBMFYSA-N 1 2 399.476 0.850 20 30 GCEDLO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000282364902 1199837616 /nfs/dbraw/zinc/83/76/16/1199837616.db2.gz UBRSQDMBBDJDCB-MRXNPFEDSA-N 1 2 398.515 0.998 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000173080853 1199888465 /nfs/dbraw/zinc/88/84/65/1199888465.db2.gz GIAFJLAXEKYNME-UHFFFAOYSA-N 1 2 395.463 0.181 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000173080853 1199888473 /nfs/dbraw/zinc/88/84/73/1199888473.db2.gz GIAFJLAXEKYNME-UHFFFAOYSA-N 1 2 395.463 0.181 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001083853643 1200168060 /nfs/dbraw/zinc/16/80/60/1200168060.db2.gz FORCTAYTDKCTFL-ZMMAXQRCSA-N 1 2 379.501 0.532 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@@H]1O ZINC001083853643 1200168061 /nfs/dbraw/zinc/16/80/61/1200168061.db2.gz FORCTAYTDKCTFL-ZMMAXQRCSA-N 1 2 379.501 0.532 20 30 GCEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H](OC)C2)cn1 ZINC000946819091 1200176254 /nfs/dbraw/zinc/17/62/54/1200176254.db2.gz XUDIURDWJJUWTN-YWTNHNAXSA-N 1 2 393.447 0.556 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001083853713 1200176306 /nfs/dbraw/zinc/17/63/06/1200176306.db2.gz JJQWIMPQTMFOFR-ZMMAXQRCSA-N 1 2 379.501 0.387 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@@H]1O ZINC001083853713 1200176309 /nfs/dbraw/zinc/17/63/09/1200176309.db2.gz JJQWIMPQTMFOFR-ZMMAXQRCSA-N 1 2 379.501 0.387 20 30 GCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129266727 1200595968 /nfs/dbraw/zinc/59/59/68/1200595968.db2.gz PMVWJBUNPRVHAG-TVFCKZIOSA-N 1 2 386.500 0.866 20 30 GCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129266727 1200595970 /nfs/dbraw/zinc/59/59/70/1200595970.db2.gz PMVWJBUNPRVHAG-TVFCKZIOSA-N 1 2 386.500 0.866 20 30 GCEDLO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448496469 1200665089 /nfs/dbraw/zinc/66/50/89/1200665089.db2.gz PQSKNPJDAZRIRD-UHFFFAOYSA-N 1 2 396.451 0.684 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CCC[N@H+](CC#C)C3)o2)C1 ZINC000923568992 1201141421 /nfs/dbraw/zinc/14/14/21/1201141421.db2.gz JVTLVTOIIALINL-ROUUACIJSA-N 1 2 396.491 0.934 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+](CC#C)C3)o2)C1 ZINC000923568992 1201141425 /nfs/dbraw/zinc/14/14/25/1201141425.db2.gz JVTLVTOIIALINL-ROUUACIJSA-N 1 2 396.491 0.934 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)CSCC(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923578097 1201151859 /nfs/dbraw/zinc/15/18/59/1201151859.db2.gz CIBRYURFUZWYSY-ROUUACIJSA-N 1 2 390.553 0.147 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)CSCC(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923578097 1201151866 /nfs/dbraw/zinc/15/18/66/1201151866.db2.gz CIBRYURFUZWYSY-ROUUACIJSA-N 1 2 390.553 0.147 20 30 GCEDLO N#CCCN1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000611175156 1201220100 /nfs/dbraw/zinc/22/01/00/1201220100.db2.gz XQFHQHXLAKJXRK-UHFFFAOYSA-N 1 2 397.523 0.797 20 30 GCEDLO N#Cc1nccc(N2CC[C@H]([NH+]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)CC3)C2)n1 ZINC001065197814 1201246197 /nfs/dbraw/zinc/24/61/97/1201246197.db2.gz BESXMGZVGNTTSX-HZMVEIRTSA-N 1 2 382.468 0.639 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001081694386 1201299693 /nfs/dbraw/zinc/29/96/93/1201299693.db2.gz ZZDMQSZALYCJGJ-XYVMCAHJSA-N 1 2 377.489 0.903 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001081694386 1201299696 /nfs/dbraw/zinc/29/96/96/1201299696.db2.gz ZZDMQSZALYCJGJ-XYVMCAHJSA-N 1 2 377.489 0.903 20 30 GCEDLO 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/nfs/dbraw/zinc/97/22/36/1201972236.db2.gz FGUJQNUEJLZWLX-GASCZTMLSA-N 1 2 379.438 0.243 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767411559 1201972239 /nfs/dbraw/zinc/97/22/39/1201972239.db2.gz FGUJQNUEJLZWLX-GASCZTMLSA-N 1 2 379.438 0.243 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)no1)C2 ZINC001108922269 1201981052 /nfs/dbraw/zinc/98/10/52/1201981052.db2.gz FVXIRNMLZHEFRR-CRWXNKLISA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)no1)C2 ZINC001108922269 1201981054 /nfs/dbraw/zinc/98/10/54/1201981054.db2.gz FVXIRNMLZHEFRR-CRWXNKLISA-N 1 2 375.429 0.718 20 30 GCEDLO C#CCC(C)(C)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000767649010 1201983054 /nfs/dbraw/zinc/98/30/54/1201983054.db2.gz HAVRTFFJMFHDBC-UHFFFAOYSA-N 1 2 384.440 0.605 20 30 GCEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCOC1)C2)NCC#Cc1ccccc1 ZINC001109024943 1201990059 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/nfs/dbraw/zinc/99/18/96/1201991896.db2.gz FZHGILFJAGOMPJ-RANZSIQMSA-N 1 2 379.501 0.984 20 30 GCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NCC(C)C ZINC001109064771 1201992555 /nfs/dbraw/zinc/99/25/55/1201992555.db2.gz BGJHBAHCAXHGNA-WCVJEAGWSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NCC(C)C ZINC001109064771 1201992556 /nfs/dbraw/zinc/99/25/56/1201992556.db2.gz BGJHBAHCAXHGNA-WCVJEAGWSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001109070588 1201992722 /nfs/dbraw/zinc/99/27/22/1201992722.db2.gz DBRXRUHPSHKLRM-VSZNYVQBSA-N 1 2 377.485 0.548 20 30 GCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001109070588 1201992725 /nfs/dbraw/zinc/99/27/25/1201992725.db2.gz DBRXRUHPSHKLRM-VSZNYVQBSA-N 1 2 377.485 0.548 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOCC=C)C2 ZINC001109120514 1201997146 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ZINC001109304194 1202018310 /nfs/dbraw/zinc/01/83/10/1202018310.db2.gz OMXMBFDLHDBQFT-WKULXVSPSA-N 1 2 397.479 0.918 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C2 ZINC001109304194 1202018311 /nfs/dbraw/zinc/01/83/11/1202018311.db2.gz OMXMBFDLHDBQFT-WKULXVSPSA-N 1 2 397.479 0.918 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3c(=O)o1)C2 ZINC001109338738 1202022154 /nfs/dbraw/zinc/02/21/54/1202022154.db2.gz UEOPYIVSGCYWDJ-PVAVHDDUSA-N 1 2 379.416 0.878 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3c(=O)o1)C2 ZINC001109338738 1202022157 /nfs/dbraw/zinc/02/21/57/1202022157.db2.gz UEOPYIVSGCYWDJ-PVAVHDDUSA-N 1 2 379.416 0.878 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(F)CCOCC1)C2 ZINC001109382621 1202033272 /nfs/dbraw/zinc/03/32/72/1202033272.db2.gz KGSXMRINOCKKDF-PMPSAXMXSA-N 1 2 380.464 0.989 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(F)CCOCC1)C2 ZINC001109382621 1202033275 /nfs/dbraw/zinc/03/32/75/1202033275.db2.gz KGSXMRINOCKKDF-PMPSAXMXSA-N 1 2 380.464 0.989 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)C2 ZINC001109383659 1202035223 /nfs/dbraw/zinc/03/52/23/1202035223.db2.gz HGVARZDHVKCJLX-COXVUDFISA-N 1 2 378.436 0.556 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)C2 ZINC001109383659 1202035226 /nfs/dbraw/zinc/03/52/26/1202035226.db2.gz HGVARZDHVKCJLX-COXVUDFISA-N 1 2 378.436 0.556 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]c(C)nc3c1)C2 ZINC001109387533 1202035908 /nfs/dbraw/zinc/03/59/08/1202035908.db2.gz RNLIFZIAPJBMGE-LCSDZXHASA-N 1 2 380.452 0.739 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]c(C)nc3c1)C2 ZINC001109387533 1202035909 /nfs/dbraw/zinc/03/59/09/1202035909.db2.gz RNLIFZIAPJBMGE-LCSDZXHASA-N 1 2 380.452 0.739 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cccnc3)c1)C2 ZINC001109397403 1202037378 /nfs/dbraw/zinc/03/73/78/1202037378.db2.gz ZICSIFJTUFDBTF-NJAFHUGGSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cccnc3)c1)C2 ZINC001109397403 1202037380 /nfs/dbraw/zinc/03/73/80/1202037380.db2.gz ZICSIFJTUFDBTF-NJAFHUGGSA-N 1 2 380.452 0.905 20 30 GCEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000768917858 1202038331 /nfs/dbraw/zinc/03/83/31/1202038331.db2.gz AXVJSQOVPJNULT-UHFFFAOYSA-N 1 2 383.448 0.882 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)NC(=O)C3)C2 ZINC001109412928 1202040003 /nfs/dbraw/zinc/04/00/03/1202040003.db2.gz WALJJUSWURQODM-PVAVHDDUSA-N 1 2 381.436 0.085 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)NC(=O)C3)C2 ZINC001109412928 1202040006 /nfs/dbraw/zinc/04/00/06/1202040006.db2.gz WALJJUSWURQODM-PVAVHDDUSA-N 1 2 381.436 0.085 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1OCCO[C@H]1C)C2 ZINC001109415296 1202043024 /nfs/dbraw/zinc/04/30/24/1202043024.db2.gz NGLTZQGLSRWVJF-IWSXDTNSSA-N 1 2 378.473 0.274 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1OCCO[C@H]1C)C2 ZINC001109415296 1202043025 /nfs/dbraw/zinc/04/30/25/1202043025.db2.gz NGLTZQGLSRWVJF-IWSXDTNSSA-N 1 2 378.473 0.274 20 30 GCEDLO CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)c2ccccc21 ZINC001109415118 1202043118 /nfs/dbraw/zinc/04/31/18/1202043118.db2.gz FDEFVXYSGDIPQK-WMEZAQDKSA-N 1 2 381.480 0.971 20 30 GCEDLO CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)c2ccccc21 ZINC001109415118 1202043120 /nfs/dbraw/zinc/04/31/20/1202043120.db2.gz FDEFVXYSGDIPQK-WMEZAQDKSA-N 1 2 381.480 0.971 20 30 GCEDLO Cc1ccc2c(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@@H+]4CC(=O)NCC#N)cnn2c1C ZINC001109416719 1202043188 /nfs/dbraw/zinc/04/31/88/1202043188.db2.gz UIAYAKCQTPGUIC-HFTRVMKXSA-N 1 2 380.452 0.926 20 30 GCEDLO Cc1ccc2c(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@H+]4CC(=O)NCC#N)cnn2c1C ZINC001109416719 1202043193 /nfs/dbraw/zinc/04/31/93/1202043193.db2.gz UIAYAKCQTPGUIC-HFTRVMKXSA-N 1 2 380.452 0.926 20 30 GCEDLO CC(=O)NC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CCCCC1 ZINC001109460782 1202056228 /nfs/dbraw/zinc/05/62/28/1202056228.db2.gz ZHDSSGXUDWIQIC-PMPSAXMXSA-N 1 2 375.473 0.187 20 30 GCEDLO CC(=O)NC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CCCCC1 ZINC001109460782 1202056230 /nfs/dbraw/zinc/05/62/30/1202056230.db2.gz ZHDSSGXUDWIQIC-PMPSAXMXSA-N 1 2 375.473 0.187 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)N(C)C(=O)C3)C2 ZINC001109490192 1202063827 /nfs/dbraw/zinc/06/38/27/1202063827.db2.gz JMALMJPAAJWCNB-IKGGRYGDSA-N 1 2 380.448 0.290 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)N(C)C(=O)C3)C2 ZINC001109490192 1202063830 /nfs/dbraw/zinc/06/38/30/1202063830.db2.gz JMALMJPAAJWCNB-IKGGRYGDSA-N 1 2 380.448 0.290 20 30 GCEDLO CC(=O)N[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)C1CCCC1 ZINC001109502425 1202067078 /nfs/dbraw/zinc/06/70/78/1202067078.db2.gz CCYDEMIBYROBGP-CVYDXHPNSA-N 1 2 375.473 0.043 20 30 GCEDLO CC(=O)N[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)C1CCCC1 ZINC001109502425 1202067081 /nfs/dbraw/zinc/06/70/81/1202067081.db2.gz CCYDEMIBYROBGP-CVYDXHPNSA-N 1 2 375.473 0.043 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CCOC)n1)C2 ZINC001109507442 1202068677 /nfs/dbraw/zinc/06/86/77/1202068677.db2.gz VWUDRWQEVIFYEP-JHNDHUHGSA-N 1 2 375.473 0.555 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CCOC)n1)C2 ZINC001109507442 1202068682 /nfs/dbraw/zinc/06/86/82/1202068682.db2.gz VWUDRWQEVIFYEP-JHNDHUHGSA-N 1 2 375.473 0.555 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(F)c[nH]1)C2 ZINC001109534623 1202074392 /nfs/dbraw/zinc/07/43/92/1202074392.db2.gz KQHNUSUDYZHJIK-PBOSXPJTSA-N 1 2 377.420 0.889 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(F)c[nH]1)C2 ZINC001109534623 1202074397 /nfs/dbraw/zinc/07/43/97/1202074397.db2.gz KQHNUSUDYZHJIK-PBOSXPJTSA-N 1 2 377.420 0.889 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1-c1ccoc1)C2 ZINC001109547307 1202076467 /nfs/dbraw/zinc/07/64/67/1202076467.db2.gz UIQLPXDRUHJTNJ-PVAVHDDUSA-N 1 2 381.436 0.765 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1-c1ccoc1)C2 ZINC001109547307 1202076468 /nfs/dbraw/zinc/07/64/68/1202076468.db2.gz UIQLPXDRUHJTNJ-PVAVHDDUSA-N 1 2 381.436 0.765 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)c3cccnc31)C2 ZINC001109544589 1202077039 /nfs/dbraw/zinc/07/70/39/1202077039.db2.gz CSTDOPUXQDBGNQ-PVAVHDDUSA-N 1 2 380.452 0.211 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)c3cccnc31)C2 ZINC001109544589 1202077040 /nfs/dbraw/zinc/07/70/40/1202077040.db2.gz CSTDOPUXQDBGNQ-PVAVHDDUSA-N 1 2 380.452 0.211 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCN1CCCC)C2 ZINC001109560697 1202079384 /nfs/dbraw/zinc/07/93/84/1202079384.db2.gz MYFNBUPDZNXXMF-VSZNYVQBSA-N 1 2 378.517 0.511 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COCCN1CCCC)C2 ZINC001109560697 1202079387 /nfs/dbraw/zinc/07/93/87/1202079387.db2.gz MYFNBUPDZNXXMF-VSZNYVQBSA-N 1 2 378.517 0.511 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3onc(C)c31)C2 ZINC001109572585 1202082890 /nfs/dbraw/zinc/08/28/90/1202082890.db2.gz UISPITVKFBHUGD-KBMXLJTQSA-N 1 2 381.436 0.924 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3onc(C)c31)C2 ZINC001109572585 1202082892 /nfs/dbraw/zinc/08/28/92/1202082892.db2.gz UISPITVKFBHUGD-KBMXLJTQSA-N 1 2 381.436 0.924 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3c1nc(C)cc3C)C2 ZINC001109586073 1202086090 /nfs/dbraw/zinc/08/60/90/1202086090.db2.gz GPNJMZJRVXVHDJ-PVAVHDDUSA-N 1 2 382.468 0.983 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3c1nc(C)cc3C)C2 ZINC001109586073 1202086093 /nfs/dbraw/zinc/08/60/93/1202086093.db2.gz GPNJMZJRVXVHDJ-PVAVHDDUSA-N 1 2 382.468 0.983 20 30 GCEDLO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109640840 1202095136 /nfs/dbraw/zinc/09/51/36/1202095136.db2.gz ZYMZIDVYFDQUGC-TWMKSMIVSA-N 1 2 375.473 0.043 20 30 GCEDLO CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109640840 1202095139 /nfs/dbraw/zinc/09/51/39/1202095139.db2.gz ZYMZIDVYFDQUGC-TWMKSMIVSA-N 1 2 375.473 0.043 20 30 GCEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)N[C@H](C)COC ZINC001109655134 1202098956 /nfs/dbraw/zinc/09/89/56/1202098956.db2.gz ICCUUVQKXUHLRL-WCVJEAGWSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)N[C@H](C)COC ZINC001109655134 1202098957 /nfs/dbraw/zinc/09/89/57/1202098957.db2.gz ICCUUVQKXUHLRL-WCVJEAGWSA-N 1 2 380.489 0.925 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(N3CCCC3)ncn1)C2 ZINC001109717317 1202108576 /nfs/dbraw/zinc/10/85/76/1202108576.db2.gz KTSFITZXNMFYGK-VYDXJSESSA-N 1 2 382.468 0.161 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(N3CCCC3)ncn1)C2 ZINC001109717317 1202108578 /nfs/dbraw/zinc/10/85/78/1202108578.db2.gz KTSFITZXNMFYGK-VYDXJSESSA-N 1 2 382.468 0.161 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C=C)C2 ZINC001109735661 1202115258 /nfs/dbraw/zinc/11/52/58/1202115258.db2.gz RBWQICGMTLJZPC-OWYFMNJBSA-N 1 2 376.457 0.311 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C=C)C2 ZINC001109735661 1202115260 /nfs/dbraw/zinc/11/52/60/1202115260.db2.gz RBWQICGMTLJZPC-OWYFMNJBSA-N 1 2 376.457 0.311 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001109742453 1202116176 /nfs/dbraw/zinc/11/61/76/1202116176.db2.gz IPODLKNSLHQQCC-WKULXVSPSA-N 1 2 397.479 0.918 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001109742453 1202116177 /nfs/dbraw/zinc/11/61/77/1202116177.db2.gz IPODLKNSLHQQCC-WKULXVSPSA-N 1 2 397.479 0.918 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)ncc1Cl)C2 ZINC001109802699 1202127333 /nfs/dbraw/zinc/12/73/33/1202127333.db2.gz DJHKOJPROMWKMV-FDEJFUCISA-N 1 2 375.860 0.911 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)ncc1Cl)C2 ZINC001109802699 1202127334 /nfs/dbraw/zinc/12/73/34/1202127334.db2.gz DJHKOJPROMWKMV-FDEJFUCISA-N 1 2 375.860 0.911 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109826373 1202130123 /nfs/dbraw/zinc/13/01/23/1202130123.db2.gz FQTDZRCMOZVMAE-IMPIEMTGSA-N 1 2 390.484 0.677 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109826373 1202130124 /nfs/dbraw/zinc/13/01/24/1202130124.db2.gz FQTDZRCMOZVMAE-IMPIEMTGSA-N 1 2 390.484 0.677 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)c1)C2 ZINC001109844662 1202134659 /nfs/dbraw/zinc/13/46/59/1202134659.db2.gz CALWCTHDAHATDA-NJAFHUGGSA-N 1 2 378.436 0.847 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)c1)C2 ZINC001109844662 1202134660 /nfs/dbraw/zinc/13/46/60/1202134660.db2.gz CALWCTHDAHATDA-NJAFHUGGSA-N 1 2 378.436 0.847 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)C2 ZINC001109872545 1202138973 /nfs/dbraw/zinc/13/89/73/1202138973.db2.gz SZDHSKKTMUGZPA-JLSDUUJJSA-N 1 2 382.464 0.751 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]c1=O)CCCC3)C2 ZINC001109872545 1202138974 /nfs/dbraw/zinc/13/89/74/1202138974.db2.gz SZDHSKKTMUGZPA-JLSDUUJJSA-N 1 2 382.464 0.751 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1NC(=O)c3ccccc31)C2 ZINC001109868483 1202140661 /nfs/dbraw/zinc/14/06/61/1202140661.db2.gz SHMGKOBPVFMVAV-VZEFYGNVSA-N 1 2 381.436 0.222 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1NC(=O)c3ccccc31)C2 ZINC001109868483 1202140663 /nfs/dbraw/zinc/14/06/63/1202140663.db2.gz SHMGKOBPVFMVAV-VZEFYGNVSA-N 1 2 381.436 0.222 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001109896343 1202144718 /nfs/dbraw/zinc/14/47/18/1202144718.db2.gz QGRZNQRNKRDUHO-WYUUTHIRSA-N 1 2 376.379 0.077 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)NCC(F)(F)F)C2 ZINC001109896343 1202144719 /nfs/dbraw/zinc/14/47/19/1202144719.db2.gz QGRZNQRNKRDUHO-WYUUTHIRSA-N 1 2 376.379 0.077 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3nccc3nc1C)C2 ZINC001109904600 1202147165 /nfs/dbraw/zinc/14/71/65/1202147165.db2.gz VELDZEZUAFELBL-FSDCSDTHSA-N 1 2 380.452 0.511 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn3nccc3nc1C)C2 ZINC001109904600 1202147166 /nfs/dbraw/zinc/14/71/66/1202147166.db2.gz VELDZEZUAFELBL-FSDCSDTHSA-N 1 2 380.452 0.511 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCCOC)C2 ZINC001109941193 1202155222 /nfs/dbraw/zinc/15/52/22/1202155222.db2.gz ODWZLEJACSVAMB-WCVJEAGWSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCCOC)C2 ZINC001109941193 1202155224 /nfs/dbraw/zinc/15/52/24/1202155224.db2.gz ODWZLEJACSVAMB-WCVJEAGWSA-N 1 2 380.489 0.782 20 30 GCEDLO N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000787773882 1205402247 /nfs/dbraw/zinc/40/22/47/1205402247.db2.gz CLGKEEFRIBVCRT-OAHLLOKOSA-N 1 2 379.424 0.271 20 30 GCEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000787775919 1205402621 /nfs/dbraw/zinc/40/26/21/1205402621.db2.gz BUACWEWXMZJJRL-KRWDZBQOSA-N 1 2 378.436 0.784 20 30 GCEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000787775919 1205402624 /nfs/dbraw/zinc/40/26/24/1205402624.db2.gz BUACWEWXMZJJRL-KRWDZBQOSA-N 1 2 378.436 0.784 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)oc3ccccc31)C2 ZINC001110084971 1205413537 /nfs/dbraw/zinc/41/35/37/1205413537.db2.gz ZIXDNBGNODADHG-ILXRZTDVSA-N 1 2 382.420 0.065 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)oc3ccccc31)C2 ZINC001110084971 1205413539 /nfs/dbraw/zinc/41/35/39/1205413539.db2.gz ZIXDNBGNODADHG-ILXRZTDVSA-N 1 2 382.420 0.065 20 30 GCEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)n[nH]1 ZINC001130229738 1205538938 /nfs/dbraw/zinc/53/89/38/1205538938.db2.gz CLWMHTWLJHOTCW-NHIYQJMISA-N 1 2 383.456 0.053 20 30 GCEDLO C=CC[C@H](NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)c1ccncc1 ZINC000805806733 1205544552 /nfs/dbraw/zinc/54/45/52/1205544552.db2.gz UMMTVYHCPQSGOQ-WBVHZDCISA-N 1 2 388.468 0.911 20 30 GCEDLO C=CC[C@H](NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)c1ccncc1 ZINC000805806733 1205544553 /nfs/dbraw/zinc/54/45/53/1205544553.db2.gz UMMTVYHCPQSGOQ-WBVHZDCISA-N 1 2 388.468 0.911 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCCO1 ZINC000806399315 1205556792 /nfs/dbraw/zinc/55/67/92/1205556792.db2.gz KGVMILXRTDOLRC-SQNIBIBYSA-N 1 2 399.495 0.005 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCCO1 ZINC000806399314 1205556960 /nfs/dbraw/zinc/55/69/60/1205556960.db2.gz KGVMILXRTDOLRC-OKZBNKHCSA-N 1 2 399.495 0.005 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2nc(CSC)no2)CC1 ZINC000747402063 1205583850 /nfs/dbraw/zinc/58/38/50/1205583850.db2.gz FJBCESLVBMIDKT-UHFFFAOYSA-N 1 2 379.486 0.149 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2nc(CSC)no2)CC1 ZINC000747402063 1205583851 /nfs/dbraw/zinc/58/38/51/1205583851.db2.gz FJBCESLVBMIDKT-UHFFFAOYSA-N 1 2 379.486 0.149 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000809503599 1205626740 /nfs/dbraw/zinc/62/67/40/1205626740.db2.gz FWOMPWJZBIALFE-UHFFFAOYSA-N 1 2 379.420 0.927 20 30 GCEDLO CN(C)c1cc(C#N)cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000815545314 1205706678 /nfs/dbraw/zinc/70/66/78/1205706678.db2.gz ZDMQAUKDDFNPBX-UHFFFAOYSA-N 1 2 378.498 0.863 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nnc1-c1ccccc1)C2 ZINC001110162635 1205707990 /nfs/dbraw/zinc/70/79/90/1205707990.db2.gz GGKDWUZBZZXSSA-PMPSAXMXSA-N 1 2 378.436 0.556 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nnc1-c1ccccc1)C2 ZINC001110162635 1205707993 /nfs/dbraw/zinc/70/79/93/1205707993.db2.gz GGKDWUZBZZXSSA-PMPSAXMXSA-N 1 2 378.436 0.556 20 30 GCEDLO N#Cc1c(N)cc(=N)n(-c2cnn(CC[NH+]3CCOCC3)c2)c1Br ZINC001174489639 1205730573 /nfs/dbraw/zinc/73/05/73/1205730573.db2.gz MWYNAWIJCYIUNQ-UHFFFAOYSA-N 1 2 392.261 0.702 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001110177382 1205734068 /nfs/dbraw/zinc/73/40/68/1205734068.db2.gz NXQIPFXAEDGOBJ-PMPSAXMXSA-N 1 2 382.424 0.934 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001110177382 1205734070 /nfs/dbraw/zinc/73/40/70/1205734070.db2.gz NXQIPFXAEDGOBJ-PMPSAXMXSA-N 1 2 382.424 0.934 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001110181707 1205735858 /nfs/dbraw/zinc/73/58/58/1205735858.db2.gz MOHSZLWOCHVZST-ILXRZTDVSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001110181707 1205735859 /nfs/dbraw/zinc/73/58/59/1205735859.db2.gz MOHSZLWOCHVZST-ILXRZTDVSA-N 1 2 380.489 0.925 20 30 GCEDLO Cc1noc(Cl)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110184329 1205736678 /nfs/dbraw/zinc/73/66/78/1205736678.db2.gz GEYPFEMLMBETBI-XBFCOCLRSA-N 1 2 379.848 0.930 20 30 GCEDLO Cc1noc(Cl)c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110184329 1205736680 /nfs/dbraw/zinc/73/66/80/1205736680.db2.gz GEYPFEMLMBETBI-XBFCOCLRSA-N 1 2 379.848 0.930 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)OCCc3ccccc31)C2 ZINC001110194995 1205747608 /nfs/dbraw/zinc/74/76/08/1205747608.db2.gz LMSCPOMNQKUTQB-ONZODILHSA-N 1 2 381.476 0.945 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)OCCc3ccccc31)C2 ZINC001110194995 1205747610 /nfs/dbraw/zinc/74/76/10/1205747610.db2.gz LMSCPOMNQKUTQB-ONZODILHSA-N 1 2 381.476 0.945 20 30 GCEDLO CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C)C(=O)NO ZINC001177093759 1205762427 /nfs/dbraw/zinc/76/24/27/1205762427.db2.gz HATVXAMMENGDMJ-QWHCGFSZSA-N 1 2 383.449 0.882 20 30 GCEDLO CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C)C(=O)NO ZINC001177093759 1205762429 /nfs/dbraw/zinc/76/24/29/1205762429.db2.gz HATVXAMMENGDMJ-QWHCGFSZSA-N 1 2 383.449 0.882 20 30 GCEDLO CO/N=C(\C(=O)N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC)c1ccco1 ZINC001177350974 1205768187 /nfs/dbraw/zinc/76/81/87/1205768187.db2.gz KPQFFJOPTMPPGN-PDPZWSGDSA-N 1 2 393.440 0.885 20 30 GCEDLO CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001110215328 1205780109 /nfs/dbraw/zinc/78/01/09/1205780109.db2.gz ZITSIRSAYVJAKD-QZWWFDLISA-N 1 2 377.489 0.289 20 30 GCEDLO CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001110215328 1205780110 /nfs/dbraw/zinc/78/01/10/1205780110.db2.gz ZITSIRSAYVJAKD-QZWWFDLISA-N 1 2 377.489 0.289 20 30 GCEDLO CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#Cc1ccccc1 ZINC001110248285 1205850999 /nfs/dbraw/zinc/85/09/99/1205850999.db2.gz WPWUCKDLVUIXQF-QRVBRYPASA-N 1 2 382.464 0.012 20 30 GCEDLO CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#Cc1ccccc1 ZINC001110248285 1205851001 /nfs/dbraw/zinc/85/10/01/1205851001.db2.gz WPWUCKDLVUIXQF-QRVBRYPASA-N 1 2 382.464 0.012 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(F)c1)C2 ZINC001110354986 1205915315 /nfs/dbraw/zinc/91/53/15/1205915315.db2.gz FDTLIZSSLIEBQV-MCIONIFRSA-N 1 2 375.404 0.568 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(F)c1)C2 ZINC001110354986 1205915316 /nfs/dbraw/zinc/91/53/16/1205915316.db2.gz FDTLIZSSLIEBQV-MCIONIFRSA-N 1 2 375.404 0.568 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001110365971 1205926585 /nfs/dbraw/zinc/92/65/85/1205926585.db2.gz FZHGILFJAGOMPJ-DDBAPUKQSA-N 1 2 379.501 0.984 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001110365971 1205926586 /nfs/dbraw/zinc/92/65/86/1205926586.db2.gz FZHGILFJAGOMPJ-DDBAPUKQSA-N 1 2 379.501 0.984 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCC ZINC001110366269 1205926880 /nfs/dbraw/zinc/92/68/80/1205926880.db2.gz NSZSSCDBJDKOOB-FPCVCCKLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCC ZINC001110366269 1205926881 /nfs/dbraw/zinc/92/68/81/1205926881.db2.gz NSZSSCDBJDKOOB-FPCVCCKLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)CC1 ZINC001185672573 1205927973 /nfs/dbraw/zinc/92/79/73/1205927973.db2.gz LEFSAZSBANSRQN-HOTGVXAUSA-N 1 2 380.489 0.688 20 30 GCEDLO COc1cc(C[N@@H+]2CC[C@@H](Nc3[nH]c(=O)n(C)c(=O)c3C#N)C2)cc(OC)c1 ZINC001185707433 1205928748 /nfs/dbraw/zinc/92/87/48/1205928748.db2.gz BDELIFHMGJTTRD-CYBMUJFWSA-N 1 2 385.424 0.649 20 30 GCEDLO COc1cc(C[N@H+]2CC[C@@H](Nc3[nH]c(=O)n(C)c(=O)c3C#N)C2)cc(OC)c1 ZINC001185707433 1205928749 /nfs/dbraw/zinc/92/87/49/1205928749.db2.gz BDELIFHMGJTTRD-CYBMUJFWSA-N 1 2 385.424 0.649 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)nc1)C2 ZINC001110390538 1205956030 /nfs/dbraw/zinc/95/60/30/1205956030.db2.gz RXSNHSMERKQVLQ-MCIONIFRSA-N 1 2 375.404 0.568 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)nc1)C2 ZINC001110390538 1205956032 /nfs/dbraw/zinc/95/60/32/1205956032.db2.gz RXSNHSMERKQVLQ-MCIONIFRSA-N 1 2 375.404 0.568 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(=O)CC)C3)c1 ZINC001110393890 1205962833 /nfs/dbraw/zinc/96/28/33/1205962833.db2.gz XDJFJHPHPSXJLG-KURKYZTESA-N 1 2 382.464 0.854 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(=O)CC)C3)c1 ZINC001110393890 1205962836 /nfs/dbraw/zinc/96/28/36/1205962836.db2.gz XDJFJHPHPSXJLG-KURKYZTESA-N 1 2 382.464 0.854 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)c1ccccc1 ZINC001110401948 1205990968 /nfs/dbraw/zinc/99/09/68/1205990968.db2.gz SLJIPFDFSQSREH-ABFRBSLYSA-N 1 2 376.482 0.846 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)c1ccccc1 ZINC001110401948 1205990970 /nfs/dbraw/zinc/99/09/70/1205990970.db2.gz SLJIPFDFSQSREH-ABFRBSLYSA-N 1 2 376.482 0.846 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C)C2 ZINC001110422235 1206025387 /nfs/dbraw/zinc/02/53/87/1206025387.db2.gz WWXILLLKMKHCEB-SYQHCUMBSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C)C2 ZINC001110422235 1206025389 /nfs/dbraw/zinc/02/53/89/1206025389.db2.gz WWXILLLKMKHCEB-SYQHCUMBSA-N 1 2 375.429 0.718 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccc(C#N)c3F)C2)C1 ZINC001190536716 1206038160 /nfs/dbraw/zinc/03/81/60/1206038160.db2.gz WVGUJGCAVILRMH-FQEVSTJZSA-N 1 2 388.443 0.998 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccc(C#N)c3F)C2)C1 ZINC001190536716 1206038161 /nfs/dbraw/zinc/03/81/61/1206038161.db2.gz WVGUJGCAVILRMH-FQEVSTJZSA-N 1 2 388.443 0.998 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cnc3C#N)C2)C1 ZINC001164719250 720226812 /nfs/dbraw/zinc/22/68/12/720226812.db2.gz PPTFDSLRSBGHAT-KRWDZBQOSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cnc3C#N)C2)C1 ZINC001164719250 720226819 /nfs/dbraw/zinc/22/68/19/720226819.db2.gz PPTFDSLRSBGHAT-KRWDZBQOSA-N 1 2 378.864 0.666 20 30 GCEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(C#N)n1)C2 ZINC001164822733 720437664 /nfs/dbraw/zinc/43/76/64/720437664.db2.gz HJJLBIVXHPLQOP-HNNXBMFYSA-N 1 2 383.456 0.534 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1cnc(-c2nn[nH]n2)cn1)C(C)C ZINC001573286353 946803657 /nfs/dbraw/zinc/80/36/57/946803657.db2.gz ZLUSPSJPFIAUSN-HIFRSBDPSA-N 1 2 383.460 0.307 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Nc1cnc(-c2nn[nH]n2)cn1)C(C)C ZINC001573286353 946803673 /nfs/dbraw/zinc/80/36/73/946803673.db2.gz ZLUSPSJPFIAUSN-HIFRSBDPSA-N 1 2 383.460 0.307 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001573565229 947005913 /nfs/dbraw/zinc/00/59/13/947005913.db2.gz PDRIGLQLJKGPKL-KGLIPLIRSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573573113 947118835 /nfs/dbraw/zinc/11/88/35/947118835.db2.gz MPJJWPABMYUYOE-BZNIZROVSA-N 1 2 375.458 0.531 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573573113 947118843 /nfs/dbraw/zinc/11/88/43/947118843.db2.gz MPJJWPABMYUYOE-BZNIZROVSA-N 1 2 375.458 0.531 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573573106 947119399 /nfs/dbraw/zinc/11/93/99/947119399.db2.gz MPHVXUBQRTVTIT-SGTLLEGYSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573573106 947119406 /nfs/dbraw/zinc/11/94/06/947119406.db2.gz MPHVXUBQRTVTIT-SGTLLEGYSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)O1 ZINC001573577139 947161651 /nfs/dbraw/zinc/16/16/51/947161651.db2.gz MQEZXLWILPOWJB-CJNGLKHVSA-N 1 2 381.440 0.876 20 30 GCEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001573577447 947168584 /nfs/dbraw/zinc/16/85/84/947168584.db2.gz POHQKSPYYCKXKJ-ZFWWWQNUSA-N 1 2 381.440 0.876 20 30 GCEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC2(C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)O1 ZINC001573577883 947175357 /nfs/dbraw/zinc/17/53/57/947175357.db2.gz UUIKXTWSTKZPRY-CJNGLKHVSA-N 1 2 381.440 0.876 20 30 GCEDLO N#Cc1ncc(NCC[NH+]2CCN(c3ccccc3)CC2)nc1-c1nn[nH]n1 ZINC001571124034 952533628 /nfs/dbraw/zinc/53/36/28/952533628.db2.gz XSLAYAVGJZHUGF-UHFFFAOYSA-N 1 2 376.428 0.762 20 30 GCEDLO COCCN(CCC#N)S(=O)(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000409542939 530230061 /nfs/dbraw/zinc/23/00/61/530230061.db2.gz JRPWADUTYHYNHT-MRXNPFEDSA-N 1 2 376.523 0.430 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000594629018 530433208 /nfs/dbraw/zinc/43/32/08/530433208.db2.gz WAVMVOZHXGWHJD-CYBMUJFWSA-N 1 2 386.499 0.203 20 30 GCEDLO CN(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000563220364 530515661 /nfs/dbraw/zinc/51/56/61/530515661.db2.gz LRQRIBLIEVZMNB-ZDUSSCGKSA-N 1 2 378.907 0.982 20 30 GCEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000328747350 530517848 /nfs/dbraw/zinc/51/78/48/530517848.db2.gz QBHLXGYIFJWIGD-GFCCVEGCSA-N 1 2 375.495 0.256 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000330464239 530520202 /nfs/dbraw/zinc/52/02/02/530520202.db2.gz OSAIWRJBPZCIRC-CABCVRRESA-N 1 2 376.523 0.415 20 30 GCEDLO CCN(C1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000330683045 530523643 /nfs/dbraw/zinc/52/36/43/530523643.db2.gz IGSYZUCDLMRSNI-CQSZACIVSA-N 1 2 376.523 0.367 20 30 GCEDLO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)N1CCS(=O)(=O)CC1)C(C)C ZINC000444114652 530542529 /nfs/dbraw/zinc/54/25/29/530542529.db2.gz XLBSYMROWKYYHH-HNNXBMFYSA-N 1 2 379.548 0.250 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000568254015 530555967 /nfs/dbraw/zinc/55/59/67/530555967.db2.gz JENCKRVUHIEQBF-NEPJUHHUSA-N 1 2 378.476 0.195 20 30 GCEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1=O ZINC000267629859 530589825 /nfs/dbraw/zinc/58/98/25/530589825.db2.gz SBYUPCFIGXVJJT-YPMHNXCESA-N 1 2 383.499 0.230 20 30 GCEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)C1=O ZINC000267629859 530589827 /nfs/dbraw/zinc/58/98/27/530589827.db2.gz SBYUPCFIGXVJJT-YPMHNXCESA-N 1 2 383.499 0.230 20 30 GCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267598164 530586846 /nfs/dbraw/zinc/58/68/46/530586846.db2.gz KYSROYVBODWZEU-JSGCOSHPSA-N 1 2 382.511 0.986 20 30 GCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267598164 530586848 /nfs/dbraw/zinc/58/68/48/530586848.db2.gz KYSROYVBODWZEU-JSGCOSHPSA-N 1 2 382.511 0.986 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CCCCC2)CC1 ZINC000349541910 530682877 /nfs/dbraw/zinc/68/28/77/530682877.db2.gz XBSSDDYRVFYHCC-UHFFFAOYSA-N 1 2 392.547 0.100 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)C[C@H](C)[N@H+]1C ZINC000349496160 530656914 /nfs/dbraw/zinc/65/69/14/530656914.db2.gz AJCLIULFNLWJNS-OKILXGFUSA-N 1 2 392.547 0.048 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)C[C@H](C)[N@@H+]1C ZINC000349496160 530656917 /nfs/dbraw/zinc/65/69/17/530656917.db2.gz AJCLIULFNLWJNS-OKILXGFUSA-N 1 2 392.547 0.048 20 30 GCEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000580843903 530751053 /nfs/dbraw/zinc/75/10/53/530751053.db2.gz IRYOOCBMRKTOBO-CHWSQXEVSA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000580843903 530751054 /nfs/dbraw/zinc/75/10/54/530751054.db2.gz IRYOOCBMRKTOBO-CHWSQXEVSA-N 1 2 386.499 0.202 20 30 GCEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651305 530824062 /nfs/dbraw/zinc/82/40/62/530824062.db2.gz DSFNJOMQSAXGII-CYBMUJFWSA-N 1 2 386.271 0.760 20 30 GCEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651305 530824064 /nfs/dbraw/zinc/82/40/64/530824064.db2.gz DSFNJOMQSAXGII-CYBMUJFWSA-N 1 2 386.271 0.760 20 30 GCEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416385391 530847064 /nfs/dbraw/zinc/84/70/64/530847064.db2.gz GKMKFSXHYNHQOS-CYBMUJFWSA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416385391 530847065 /nfs/dbraw/zinc/84/70/65/530847065.db2.gz GKMKFSXHYNHQOS-CYBMUJFWSA-N 1 2 387.303 0.845 20 30 GCEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000175868946 530850195 /nfs/dbraw/zinc/85/01/95/530850195.db2.gz DAIDPXDIHBWXEB-NSHDSACASA-N 1 2 382.262 0.508 20 30 GCEDLO N#Cc1sccc1N1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000594806016 530884284 /nfs/dbraw/zinc/88/42/84/530884284.db2.gz AHEBSBRUQBMPCJ-UHFFFAOYSA-N 1 2 384.527 0.794 20 30 GCEDLO CNS(=O)(=O)NC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000331269596 530918211 /nfs/dbraw/zinc/91/82/11/530918211.db2.gz TYLWYVILWCRYRT-UHFFFAOYSA-N 1 2 385.877 0.668 20 30 GCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000275427466 531008341 /nfs/dbraw/zinc/00/83/41/531008341.db2.gz DQPYFMLROXMMDG-UHFFFAOYSA-N 1 2 385.511 0.267 20 30 GCEDLO C=C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000349594429 531074009 /nfs/dbraw/zinc/07/40/09/531074009.db2.gz SFSHFRQGHMNUAG-CYBMUJFWSA-N 1 2 388.515 0.552 20 30 GCEDLO Cn1cc(I)c(CNC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC000515166629 531086689 /nfs/dbraw/zinc/08/66/89/531086689.db2.gz XVSZNHPPHDZHKE-JTQLQIEISA-N 1 2 377.230 0.321 20 30 GCEDLO Cn1cc(I)c(CNC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC000515166629 531086691 /nfs/dbraw/zinc/08/66/91/531086691.db2.gz XVSZNHPPHDZHKE-JTQLQIEISA-N 1 2 377.230 0.321 20 30 GCEDLO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1nn(C)cc1I ZINC000515166629 531086693 /nfs/dbraw/zinc/08/66/93/531086693.db2.gz XVSZNHPPHDZHKE-JTQLQIEISA-N 1 2 377.230 0.321 20 30 GCEDLO CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)c1[nH+]cnc2c1cnn2CCC#N ZINC000736798323 598419551 /nfs/dbraw/zinc/41/95/51/598419551.db2.gz VGWRNFOSPLQODR-UHFFFAOYSA-N 1 2 393.419 0.294 20 30 GCEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819702392 606317112 /nfs/dbraw/zinc/31/71/12/606317112.db2.gz YTXMWMADJLDBIE-MRXNPFEDSA-N 1 2 382.424 0.542 20 30 GCEDLO S=C(NCCC[NH+]1CCOCC1)NN=Cc1ccc(-c2nn[nH]n2)s1 ZINC000823731880 606369727 /nfs/dbraw/zinc/36/97/27/606369727.db2.gz GVJAUACSNPTILK-UHFFFAOYSA-N 1 2 380.503 0.449 20 30 GCEDLO C=C(Br)CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000788010226 638478942 /nfs/dbraw/zinc/47/89/42/638478942.db2.gz JAIAHLLFPSGONK-UHFFFAOYSA-N 1 2 395.301 0.950 20 30 GCEDLO CS(=O)(=O)NCCNC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000727068221 638730264 /nfs/dbraw/zinc/73/02/64/638730264.db2.gz ANENXNSORUOODB-UHFFFAOYSA-N 1 2 381.527 0.100 20 30 GCEDLO N#Cc1c(NC[C@@]2([NH+]3CCOCC3)CCSC2)cccc1S(N)(=O)=O ZINC000754978067 640463002 /nfs/dbraw/zinc/46/30/02/640463002.db2.gz TUVAZNMWTUYBNU-INIZCTEOSA-N 1 2 382.511 0.825 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000761031669 640585786 /nfs/dbraw/zinc/58/57/86/640585786.db2.gz TWPPLXIPNPIWRU-AWEZNQCLSA-N 1 2 387.889 0.165 20 30 GCEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000779794670 641195893 /nfs/dbraw/zinc/19/58/93/641195893.db2.gz KRLWNKREEFDGPJ-SNVBAGLBSA-N 1 2 387.487 0.074 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000874041506 641514841 /nfs/dbraw/zinc/51/48/41/641514841.db2.gz XQWQIIZGKUZDIZ-ZDUSSCGKSA-N 1 2 387.527 0.592 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000889812427 641879764 /nfs/dbraw/zinc/87/97/64/641879764.db2.gz YBDUJSPQRULUGL-OLZOCXBDSA-N 1 2 377.242 0.921 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000889812427 641879767 /nfs/dbraw/zinc/87/97/67/641879767.db2.gz YBDUJSPQRULUGL-OLZOCXBDSA-N 1 2 377.242 0.921 20 30 GCEDLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834494076 642213318 /nfs/dbraw/zinc/21/33/18/642213318.db2.gz JTMBWYCYLKOGDI-MWLCHTKSSA-N 1 2 380.455 0.124 20 30 GCEDLO N#CCN1CCC(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000585778276 1192410613 /nfs/dbraw/zinc/41/06/13/1192410613.db2.gz HZTCPIZDYRMQAB-UHFFFAOYSA-N 1 2 384.415 0.732 20 30 GCEDLO O=C(C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)NCC#Cc1ccccc1 ZINC001481706242 1192637965 /nfs/dbraw/zinc/63/79/65/1192637965.db2.gz JSKDELQRUUALLX-WTGUMLROSA-N 1 2 381.476 0.912 20 30 GCEDLO O=C(C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)NCC#Cc1ccccc1 ZINC001481706242 1192637970 /nfs/dbraw/zinc/63/79/70/1192637970.db2.gz JSKDELQRUUALLX-WTGUMLROSA-N 1 2 381.476 0.912 20 30 GCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC000969412289 1184299086 /nfs/dbraw/zinc/29/90/86/1184299086.db2.gz ARXUGVVKWMQYJS-RWQQGDIJSA-N 1 2 378.432 0.425 20 30 GCEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC000969412289 1184299092 /nfs/dbraw/zinc/29/90/92/1184299092.db2.gz ARXUGVVKWMQYJS-RWQQGDIJSA-N 1 2 378.432 0.425 20 30 GCEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083194516 1184515792 /nfs/dbraw/zinc/51/57/92/1184515792.db2.gz SRLBPRNLSJWUJN-FUMNGEBKSA-N 1 2 381.476 0.674 20 30 GCEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]21 ZINC001083194516 1184515795 /nfs/dbraw/zinc/51/57/95/1184515795.db2.gz SRLBPRNLSJWUJN-FUMNGEBKSA-N 1 2 381.476 0.674 20 30 GCEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@H]3C2)s1 ZINC001083194434 1184515928 /nfs/dbraw/zinc/51/59/28/1184515928.db2.gz OISURRLMUOJTLY-OSRSDYAFSA-N 1 2 388.493 0.933 20 30 GCEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)[C@H]3C2)s1 ZINC001083194434 1184515930 /nfs/dbraw/zinc/51/59/30/1184515930.db2.gz OISURRLMUOJTLY-OSRSDYAFSA-N 1 2 388.493 0.933 20 30 GCEDLO C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cn1cc[nH+]c1 ZINC000155355198 1184627552 /nfs/dbraw/zinc/62/75/52/1184627552.db2.gz GSVWGDKPWDTMRS-KGLIPLIRSA-N 1 2 375.454 0.874 20 30 GCEDLO C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000155365865 1184633173 /nfs/dbraw/zinc/63/31/73/1184633173.db2.gz ZYMRVJHWSASJLE-KGLIPLIRSA-N 1 2 375.454 0.874 20 30 GCEDLO CCn1c(=O)c(=Cc2cc(OC)cc(C)[nH+]2)sc1=C(C#N)C(=O)[C@@H]1CCOC1 ZINC000547962742 1184816482 /nfs/dbraw/zinc/81/64/82/1184816482.db2.gz ZWVKGXNUQLQJFU-CYBMUJFWSA-N 1 2 399.472 0.750 20 30 GCEDLO N#Cc1cc(=O)n(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cn1 ZINC000579950704 1184817607 /nfs/dbraw/zinc/81/76/07/1184817607.db2.gz PEHCOHVGQZLHSY-UHFFFAOYSA-N 1 2 379.420 0.394 20 30 GCEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H](O)C2)cc1 ZINC000970688716 1184966462 /nfs/dbraw/zinc/96/64/62/1184966462.db2.gz GISYWNBJQCKKNP-MTNOOBJLSA-N 1 2 378.432 0.507 20 30 GCEDLO C#CC1(F)CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)C1 ZINC000891169770 1185006530 /nfs/dbraw/zinc/00/65/30/1185006530.db2.gz RZGAVABULNLWRU-UHFFFAOYSA-N 1 2 386.427 0.473 20 30 GCEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000275864457 1185191250 /nfs/dbraw/zinc/19/12/50/1185191250.db2.gz DEZPEIKCXBOOMR-HNNXBMFYSA-N 1 2 387.436 0.733 20 30 GCEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000275864457 1185191253 /nfs/dbraw/zinc/19/12/53/1185191253.db2.gz DEZPEIKCXBOOMR-HNNXBMFYSA-N 1 2 387.436 0.733 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)[C@@H](C)C1 ZINC000275873799 1185208771 /nfs/dbraw/zinc/20/87/71/1185208771.db2.gz FAVHVHGFCAVJPL-AWEZNQCLSA-N 1 2 388.424 0.623 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)[C@@H](C)C1 ZINC000275873799 1185208776 /nfs/dbraw/zinc/20/87/76/1185208776.db2.gz FAVHVHGFCAVJPL-AWEZNQCLSA-N 1 2 388.424 0.623 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000275881210 1185225799 /nfs/dbraw/zinc/22/57/99/1185225799.db2.gz FYNKOGSMSGIHAZ-LBPRGKRZSA-N 1 2 376.388 0.732 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000275881210 1185225803 /nfs/dbraw/zinc/22/58/03/1185225803.db2.gz FYNKOGSMSGIHAZ-LBPRGKRZSA-N 1 2 376.388 0.732 20 30 GCEDLO C=CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)nn1 ZINC001021690519 1185297057 /nfs/dbraw/zinc/29/70/57/1185297057.db2.gz CNZAKPNCJOMVDL-ZOMKSWQUSA-N 1 2 381.440 0.664 20 30 GCEDLO C=CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)nn1 ZINC001021690519 1185297064 /nfs/dbraw/zinc/29/70/64/1185297064.db2.gz CNZAKPNCJOMVDL-ZOMKSWQUSA-N 1 2 381.440 0.664 20 30 GCEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000275940420 1185327396 /nfs/dbraw/zinc/32/73/96/1185327396.db2.gz PCSVVGGOHUJMNF-HNNXBMFYSA-N 1 2 387.436 0.733 20 30 GCEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000275940420 1185327402 /nfs/dbraw/zinc/32/74/02/1185327402.db2.gz PCSVVGGOHUJMNF-HNNXBMFYSA-N 1 2 387.436 0.733 20 30 GCEDLO N#Cc1ncn(CCNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)n1 ZINC000580851002 1185395726 /nfs/dbraw/zinc/39/57/26/1185395726.db2.gz ZQQSJNVHOJKHCO-HNNXBMFYSA-N 1 2 384.444 0.297 20 30 GCEDLO N#Cc1ncn(CCNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)n1 ZINC000580851002 1185395730 /nfs/dbraw/zinc/39/57/30/1185395730.db2.gz ZQQSJNVHOJKHCO-HNNXBMFYSA-N 1 2 384.444 0.297 20 30 GCEDLO Cc1nsc(N2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)c1C#N ZINC000581164516 1185520762 /nfs/dbraw/zinc/52/07/62/1185520762.db2.gz QJEWQQJYZFTBDR-CYBMUJFWSA-N 1 2 378.502 0.876 20 30 GCEDLO Cc1nsc(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)c1C#N ZINC000581164516 1185520764 /nfs/dbraw/zinc/52/07/64/1185520764.db2.gz QJEWQQJYZFTBDR-CYBMUJFWSA-N 1 2 378.502 0.876 20 30 GCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000477030947 1185541222 /nfs/dbraw/zinc/54/12/22/1185541222.db2.gz WVNFLOABMXEAFX-GOEBONIOSA-N 1 2 390.465 0.451 20 30 GCEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000477030947 1185541227 /nfs/dbraw/zinc/54/12/27/1185541227.db2.gz WVNFLOABMXEAFX-GOEBONIOSA-N 1 2 390.465 0.451 20 30 GCEDLO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000328770642 1185626899 /nfs/dbraw/zinc/62/68/99/1185626899.db2.gz GTTLTPKCXFRYGH-QGZVFWFLSA-N 1 2 381.521 0.251 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC(=O)OCC)c2)C1 ZINC000891608046 1185938874 /nfs/dbraw/zinc/93/88/74/1185938874.db2.gz UPHYNZLVEDJBBS-MRXNPFEDSA-N 1 2 387.436 0.781 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC(=O)OCC)c2)C1 ZINC000891608046 1185938879 /nfs/dbraw/zinc/93/88/79/1185938879.db2.gz UPHYNZLVEDJBBS-MRXNPFEDSA-N 1 2 387.436 0.781 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000891606602 1185939843 /nfs/dbraw/zinc/93/98/43/1185939843.db2.gz NNLSDSNJDRZEJX-INIZCTEOSA-N 1 2 377.466 0.384 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000891606602 1185939845 /nfs/dbraw/zinc/93/98/45/1185939845.db2.gz NNLSDSNJDRZEJX-INIZCTEOSA-N 1 2 377.466 0.384 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCCC(=O)OC)cc2)C1 ZINC000891605921 1185939856 /nfs/dbraw/zinc/93/98/56/1185939856.db2.gz HYLJZVKAABSUFJ-MRXNPFEDSA-N 1 2 387.436 0.781 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCCC(=O)OC)cc2)C1 ZINC000891605921 1185939859 /nfs/dbraw/zinc/93/98/59/1185939859.db2.gz HYLJZVKAABSUFJ-MRXNPFEDSA-N 1 2 387.436 0.781 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(OC)c2OC)C1 ZINC000891605998 1185940281 /nfs/dbraw/zinc/94/02/81/1185940281.db2.gz JFLBTEYSJZQQII-ZDUSSCGKSA-N 1 2 375.425 0.865 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(OC)c2OC)C1 ZINC000891605998 1185940283 /nfs/dbraw/zinc/94/02/83/1185940283.db2.gz JFLBTEYSJZQQII-ZDUSSCGKSA-N 1 2 375.425 0.865 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000891607017 1185941240 /nfs/dbraw/zinc/94/12/40/1185941240.db2.gz PVQFMCGTXUNWLM-INIZCTEOSA-N 1 2 377.466 0.384 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000891607017 1185941241 /nfs/dbraw/zinc/94/12/41/1185941241.db2.gz PVQFMCGTXUNWLM-INIZCTEOSA-N 1 2 377.466 0.384 20 30 GCEDLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510903802 1186154331 /nfs/dbraw/zinc/15/43/31/1186154331.db2.gz UIYYPOKREDVOJY-ZDUSSCGKSA-N 1 2 382.461 0.709 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610805434 1186228349 /nfs/dbraw/zinc/22/83/49/1186228349.db2.gz YETQNRSDXQMDKM-ZDUSSCGKSA-N 1 2 386.433 0.910 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277062486 1186235535 /nfs/dbraw/zinc/23/55/35/1186235535.db2.gz BXHUJZRMJFTJPL-QAPCUYQASA-N 1 2 385.468 0.679 20 30 GCEDLO Cc1nn(C)c(N2CC[NH+](C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N ZINC000472154600 1186401359 /nfs/dbraw/zinc/40/13/59/1186401359.db2.gz KGSBRXNEGZMCMI-INMHGKMJSA-N 1 2 376.505 0.192 20 30 GCEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)[N@H+](C)C1 ZINC000329055148 1186524185 /nfs/dbraw/zinc/52/41/85/1186524185.db2.gz SIPLJMGWYGLXRM-RDJZCZTQSA-N 1 2 396.513 0.930 20 30 GCEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)[N@@H+](C)C1 ZINC000329055148 1186524191 /nfs/dbraw/zinc/52/41/91/1186524191.db2.gz SIPLJMGWYGLXRM-RDJZCZTQSA-N 1 2 396.513 0.930 20 30 GCEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000728570961 1186894589 /nfs/dbraw/zinc/89/45/89/1186894589.db2.gz QNDNGTDLIOPYTN-UHFFFAOYSA-N 1 2 381.480 0.866 20 30 GCEDLO CO[C@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCS(=O)(=O)C1 ZINC000892417081 1187221616 /nfs/dbraw/zinc/22/16/16/1187221616.db2.gz GPDGWSYGHSCTKY-LJQANCHMSA-N 1 2 391.493 0.843 20 30 GCEDLO C=CC[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000658436340 1187299090 /nfs/dbraw/zinc/29/90/90/1187299090.db2.gz CRKJFTKVPZKXRR-INIZCTEOSA-N 1 2 375.473 0.969 20 30 GCEDLO CC(C)(C)N1C[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000329945373 1187480361 /nfs/dbraw/zinc/48/03/61/1187480361.db2.gz FTGUYTCOODDYIR-CQSZACIVSA-N 1 2 378.477 0.941 20 30 GCEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000413967516 1187618067 /nfs/dbraw/zinc/61/80/67/1187618067.db2.gz QFWSEJOYZGGYBY-UHFFFAOYSA-N 1 2 394.497 0.719 20 30 GCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000414104517 1187717430 /nfs/dbraw/zinc/71/74/30/1187717430.db2.gz GAKCEJPJLXRZTH-IFXJQAMLSA-N 1 2 388.424 0.475 20 30 GCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000414104517 1187717432 /nfs/dbraw/zinc/71/74/32/1187717432.db2.gz GAKCEJPJLXRZTH-IFXJQAMLSA-N 1 2 388.424 0.475 20 30 GCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000414108594 1187717810 /nfs/dbraw/zinc/71/78/10/1187717810.db2.gz MBVQPMQXUREHHK-AUUYWEPGSA-N 1 2 388.424 0.431 20 30 GCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000414108594 1187717814 /nfs/dbraw/zinc/71/78/14/1187717814.db2.gz MBVQPMQXUREHHK-AUUYWEPGSA-N 1 2 388.424 0.431 20 30 GCEDLO N#CCCN(C(=O)CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1)c1ccccc1 ZINC000066621164 1187754072 /nfs/dbraw/zinc/75/40/72/1187754072.db2.gz FLQBIJACZUOYMS-UHFFFAOYSA-N 1 2 385.468 0.733 20 30 GCEDLO N#CCCN(C(=O)CCC(=O)N1CCC[N@H+](CC(N)=O)CC1)c1ccccc1 ZINC000066621164 1187754075 /nfs/dbraw/zinc/75/40/75/1187754075.db2.gz FLQBIJACZUOYMS-UHFFFAOYSA-N 1 2 385.468 0.733 20 30 GCEDLO C#CC[C@]1(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCCN1C(=O)OC(C)(C)C ZINC000377694439 1188107291 /nfs/dbraw/zinc/10/72/91/1188107291.db2.gz IWIHRXDGWORREA-OXQOHEQNSA-N 1 2 376.501 0.895 20 30 GCEDLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290397487 1189383428 /nfs/dbraw/zinc/38/34/28/1189383428.db2.gz SRHATIQMEIRDAE-GDBMZVCRSA-N 1 2 394.497 0.590 20 30 GCEDLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290397487 1189383432 /nfs/dbraw/zinc/38/34/32/1189383432.db2.gz SRHATIQMEIRDAE-GDBMZVCRSA-N 1 2 394.497 0.590 20 30 GCEDLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290397494 1189384200 /nfs/dbraw/zinc/38/42/00/1189384200.db2.gz SRHATIQMEIRDAE-HOCLYGCPSA-N 1 2 394.497 0.590 20 30 GCEDLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290397494 1189384204 /nfs/dbraw/zinc/38/42/04/1189384204.db2.gz SRHATIQMEIRDAE-HOCLYGCPSA-N 1 2 394.497 0.590 20 30 GCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000274356962 1189458187 /nfs/dbraw/zinc/45/81/87/1189458187.db2.gz PEJXPGZCLPXQOU-UHFFFAOYSA-N 1 2 389.477 0.643 20 30 GCEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000645224048 1193849056 /nfs/dbraw/zinc/84/90/56/1193849056.db2.gz FRPQUSZZXYIIGE-SFHVURJKSA-N 1 2 375.469 0.971 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000729257444 1193909946 /nfs/dbraw/zinc/90/99/46/1193909946.db2.gz FLFNOFHUVKHRLO-KRWDZBQOSA-N 1 2 384.480 0.479 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)CC1 ZINC000729257444 1193909947 /nfs/dbraw/zinc/90/99/47/1193909947.db2.gz FLFNOFHUVKHRLO-KRWDZBQOSA-N 1 2 384.480 0.479 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COc3cc(OC)ccc3C2)CC1 ZINC000729281540 1193910529 /nfs/dbraw/zinc/91/05/29/1193910529.db2.gz GMTKXSZWQCWGQL-QGZVFWFLSA-N 1 2 385.464 0.530 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COc3cc(OC)ccc3C2)CC1 ZINC000729281540 1193910530 /nfs/dbraw/zinc/91/05/30/1193910530.db2.gz GMTKXSZWQCWGQL-QGZVFWFLSA-N 1 2 385.464 0.530 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366559681 1194219451 /nfs/dbraw/zinc/21/94/51/1194219451.db2.gz VLYMJYNDIMAYND-GOEBONIOSA-N 1 2 392.481 0.158 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)O[C@]4(CCOC4)C3)CC2)o1 ZINC000366584884 1194221944 /nfs/dbraw/zinc/22/19/44/1194221944.db2.gz GCGHWVYYTSOKHO-IFXJQAMLSA-N 1 2 389.456 0.383 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)O[C@]4(CCOC4)C3)CC2)o1 ZINC000366584884 1194221947 /nfs/dbraw/zinc/22/19/47/1194221947.db2.gz GCGHWVYYTSOKHO-IFXJQAMLSA-N 1 2 389.456 0.383 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367084827 1194366501 /nfs/dbraw/zinc/36/65/01/1194366501.db2.gz NZJUQZBRTNEZSS-KBXCAEBGSA-N 1 2 399.476 0.793 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OCC ZINC000983227084 1194772992 /nfs/dbraw/zinc/77/29/92/1194772992.db2.gz FRNUKLRTOKGYHU-WCXIOVBPSA-N 1 2 390.484 0.913 20 30 GCEDLO Cn1cc(C[NH+]2CC3(CN(C(=O)CN4C(=O)CSC4=S)C3)C2)cc1C#N ZINC001269898016 1194886944 /nfs/dbraw/zinc/88/69/44/1194886944.db2.gz MMUHBWZICYGXQE-UHFFFAOYSA-N 1 2 389.506 0.401 20 30 GCEDLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1S(=O)(=O)NCC#N ZINC000505703521 1194940743 /nfs/dbraw/zinc/94/07/43/1194940743.db2.gz QYTNUGXERLGOSC-QGZVFWFLSA-N 1 2 399.476 0.979 20 30 GCEDLO C[C@@H]1COCCN1CCNc1nc(NCC[N@@H+]2CCOC[C@H]2C)ccc1C#N ZINC000436404686 1195003527 /nfs/dbraw/zinc/00/35/27/1195003527.db2.gz FVFYJWMGYJOYHX-IAGOWNOFSA-N 1 2 388.516 1.218 20 30 GCEDLO C[C@@H]1COCCN1CCNc1nc(NCC[N@H+]2CCOC[C@H]2C)ccc1C#N ZINC000436404686 1195003530 /nfs/dbraw/zinc/00/35/30/1195003530.db2.gz FVFYJWMGYJOYHX-IAGOWNOFSA-N 1 2 388.516 1.218 20 30 GCEDLO CC(=O)N[C@@H](CS)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001270179054 1195076681 /nfs/dbraw/zinc/07/66/81/1195076681.db2.gz GCFUYEXXULULHT-WMZOPIPTSA-N 1 2 380.514 0.643 20 30 GCEDLO CC(=O)N[C@@H](CS)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001270179054 1195076686 /nfs/dbraw/zinc/07/66/86/1195076686.db2.gz GCFUYEXXULULHT-WMZOPIPTSA-N 1 2 380.514 0.643 20 30 GCEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000516782342 1195095045 /nfs/dbraw/zinc/09/50/45/1195095045.db2.gz OEVYTSBMSLOLAW-CQSZACIVSA-N 1 2 387.465 0.993 20 30 GCEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000516782342 1195095050 /nfs/dbraw/zinc/09/50/50/1195095050.db2.gz OEVYTSBMSLOLAW-CQSZACIVSA-N 1 2 387.465 0.993 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)C[C@H](C)C#N)CC1 ZINC000437381782 1195105012 /nfs/dbraw/zinc/10/50/12/1195105012.db2.gz CCTIWSKMFDWTEB-OAHLLOKOSA-N 1 2 385.468 0.907 20 30 GCEDLO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCCS(N)(=O)=O)cc1C#N ZINC001270210423 1195107363 /nfs/dbraw/zinc/10/73/63/1195107363.db2.gz UNFGJJRGUKIYTN-GASCZTMLSA-N 1 2 379.486 0.141 20 30 GCEDLO Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCCS(N)(=O)=O)cc1C#N ZINC001270210423 1195107366 /nfs/dbraw/zinc/10/73/66/1195107366.db2.gz UNFGJJRGUKIYTN-GASCZTMLSA-N 1 2 379.486 0.141 20 30 GCEDLO Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1S(=O)(=O)NCC#N ZINC000517480288 1195186481 /nfs/dbraw/zinc/18/64/81/1195186481.db2.gz AKUSJGYLENQRAV-CABCVRRESA-N 1 2 394.497 0.636 20 30 GCEDLO C=CCSCC(=O)N1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001270479382 1195313158 /nfs/dbraw/zinc/31/31/58/1195313158.db2.gz LOWDMCUUCYEVBS-SFHVURJKSA-N 1 2 378.498 0.880 20 30 GCEDLO Cc1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)nn1-c1cccc(C#N)c1 ZINC000506762571 1195386491 /nfs/dbraw/zinc/38/64/91/1195386491.db2.gz SEKAWAYTSKBHNN-FQEVSTJZSA-N 1 2 383.452 0.865 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000519525299 1195422836 /nfs/dbraw/zinc/42/28/36/1195422836.db2.gz VMFSAKOKQCHYIF-CWRNSKLLSA-N 1 2 392.481 0.204 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000519525299 1195422839 /nfs/dbraw/zinc/42/28/39/1195422839.db2.gz VMFSAKOKQCHYIF-CWRNSKLLSA-N 1 2 392.481 0.204 20 30 GCEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000550128231 1195445097 /nfs/dbraw/zinc/44/50/97/1195445097.db2.gz VLIHFHNQCZLVBN-UHFFFAOYSA-N 1 2 379.482 0.483 20 30 GCEDLO CC#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000550128231 1195445100 /nfs/dbraw/zinc/44/51/00/1195445100.db2.gz VLIHFHNQCZLVBN-UHFFFAOYSA-N 1 2 379.482 0.483 20 30 GCEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000427057928 1195503860 /nfs/dbraw/zinc/50/38/60/1195503860.db2.gz WLQOEINCEKPWDJ-LBPRGKRZSA-N 1 2 393.382 1.149 20 30 GCEDLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000519907988 1195580918 /nfs/dbraw/zinc/58/09/18/1195580918.db2.gz ZVHKPNBYOXHCSN-UHFFFAOYSA-N 1 2 378.498 0.968 20 30 GCEDLO C=CCOc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000441001098 1195595678 /nfs/dbraw/zinc/59/56/78/1195595678.db2.gz GDBLYMFFQRDOTG-INIZCTEOSA-N 1 2 377.441 0.341 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCCN(C(=O)C2CC2)CC1 ZINC000328601702 1195659697 /nfs/dbraw/zinc/65/96/97/1195659697.db2.gz FYGJRHWNOVEUQL-UHFFFAOYSA-N 1 2 390.488 0.705 20 30 GCEDLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000328823122 1195667031 /nfs/dbraw/zinc/66/70/31/1195667031.db2.gz RACDFAVXQYXFGK-INIZCTEOSA-N 1 2 394.497 0.876 20 30 GCEDLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000328823122 1195667033 /nfs/dbraw/zinc/66/70/33/1195667033.db2.gz RACDFAVXQYXFGK-INIZCTEOSA-N 1 2 394.497 0.876 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cncnc2)CC3)CC1 ZINC000328849800 1195670926 /nfs/dbraw/zinc/67/09/26/1195670926.db2.gz RLXSCTKHTOFGRC-AWEZNQCLSA-N 1 2 383.456 0.628 20 30 GCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CCO1 ZINC000330414765 1195687962 /nfs/dbraw/zinc/68/79/62/1195687962.db2.gz ADHALWMMVCBIBY-OAHLLOKOSA-N 1 2 390.550 0.805 20 30 GCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CCO1 ZINC000330414765 1195687966 /nfs/dbraw/zinc/68/79/66/1195687966.db2.gz ADHALWMMVCBIBY-OAHLLOKOSA-N 1 2 390.550 0.805 20 30 GCEDLO CCCS(=O)(=O)NC1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000330650143 1195698734 /nfs/dbraw/zinc/69/87/34/1195698734.db2.gz XFMPIPDWAAICCD-CABCVRRESA-N 1 2 390.550 0.803 20 30 GCEDLO C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000331131078 1195722600 /nfs/dbraw/zinc/72/26/00/1195722600.db2.gz QBODFCOCLYXHGL-WHDAMIPWSA-N 1 2 381.502 0.714 20 30 GCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 ZINC000428071266 1195909891 /nfs/dbraw/zinc/90/98/91/1195909891.db2.gz QRHJASWYQNDARW-MRXNPFEDSA-N 1 2 394.497 0.638 20 30 GCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 ZINC000428071266 1195909892 /nfs/dbraw/zinc/90/98/92/1195909892.db2.gz QRHJASWYQNDARW-MRXNPFEDSA-N 1 2 394.497 0.638 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)[C@H](C)C1 ZINC000442048231 1195949120 /nfs/dbraw/zinc/94/91/20/1195949120.db2.gz ORWMJIOYYLTPET-CYBMUJFWSA-N 1 2 388.424 0.601 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)[C@H](C)C1 ZINC000442048231 1195949123 /nfs/dbraw/zinc/94/91/23/1195949123.db2.gz ORWMJIOYYLTPET-CYBMUJFWSA-N 1 2 388.424 0.601 20 30 GCEDLO CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2c[nH+]cn2C)cc1 ZINC000521068447 1195959552 /nfs/dbraw/zinc/95/95/52/1195959552.db2.gz ZGIIDHRFVZQKMC-LBPRGKRZSA-N 1 2 397.482 0.479 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000895919345 1196117901 /nfs/dbraw/zinc/11/79/01/1196117901.db2.gz UMZWCXVJSYSQHU-INIZCTEOSA-N 1 2 381.498 0.686 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000895920218 1196118005 /nfs/dbraw/zinc/11/80/05/1196118005.db2.gz GVDRJJIABNZODX-KRWDZBQOSA-N 1 2 392.525 0.497 20 30 GCEDLO C[C@H]1CC[S@](=O)CCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329066834 1196161048 /nfs/dbraw/zinc/16/10/48/1196161048.db2.gz WSYCITLGGSSMHO-PWFNWSNSSA-N 1 2 393.513 0.858 20 30 GCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1 ZINC000329097090 1196163444 /nfs/dbraw/zinc/16/34/44/1196163444.db2.gz LLKNUBIVSUVQNR-MRXNPFEDSA-N 1 2 396.513 0.674 20 30 GCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1 ZINC000329097090 1196163446 /nfs/dbraw/zinc/16/34/46/1196163446.db2.gz LLKNUBIVSUVQNR-MRXNPFEDSA-N 1 2 396.513 0.674 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329111841 1196165058 /nfs/dbraw/zinc/16/50/58/1196165058.db2.gz KGZBVCUKYYUJOV-QAPCUYQASA-N 1 2 379.461 0.879 20 30 GCEDLO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CC1 ZINC000329159688 1196170336 /nfs/dbraw/zinc/17/03/36/1196170336.db2.gz DWFJGQUTCPSNOW-MRXNPFEDSA-N 1 2 382.530 0.994 20 30 GCEDLO CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CC1 ZINC000329159688 1196170339 /nfs/dbraw/zinc/17/03/39/1196170339.db2.gz DWFJGQUTCPSNOW-MRXNPFEDSA-N 1 2 382.530 0.994 20 30 GCEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329271851 1196181884 /nfs/dbraw/zinc/18/18/84/1196181884.db2.gz JLRDAAITHLRSRR-SOLBZPMBSA-N 1 2 385.530 0.988 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329362806 1196188575 /nfs/dbraw/zinc/18/85/75/1196188575.db2.gz IYNBBWHFMRCKKV-SJORKVTESA-N 1 2 379.461 0.641 20 30 GCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000329490809 1196200816 /nfs/dbraw/zinc/20/08/16/1196200816.db2.gz SPXFQGLJDGLVBT-ILXRZTDVSA-N 1 2 394.438 0.959 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329524753 1196202946 /nfs/dbraw/zinc/20/29/46/1196202946.db2.gz SGTPDXRLYGJTQJ-SJORKVTESA-N 1 2 397.520 0.206 20 30 GCEDLO C=CCNC(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)nc1 ZINC000443876464 1196222057 /nfs/dbraw/zinc/22/20/57/1196222057.db2.gz HHUYEAMEWNMWAR-MRXNPFEDSA-N 1 2 387.484 0.367 20 30 GCEDLO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000329729810 1196227687 /nfs/dbraw/zinc/22/76/87/1196227687.db2.gz PIMHTPSTWKXIFT-UHFFFAOYSA-N 1 2 398.533 0.961 20 30 GCEDLO O=C(Cc1ccc2c(c1)OCCO2)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329767761 1196230364 /nfs/dbraw/zinc/23/03/64/1196230364.db2.gz ZYWWBEUMQRRIOK-INIZCTEOSA-N 1 2 389.452 0.890 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@]3(CCO)CCOC3)ccn2)CC1 ZINC000329836037 1196233732 /nfs/dbraw/zinc/23/37/32/1196233732.db2.gz LQXBZDPEDSSJBN-LJQANCHMSA-N 1 2 391.472 0.584 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCSC[C@H]3CCO)ccn2)CC1 ZINC000329846853 1196234101 /nfs/dbraw/zinc/23/41/01/1196234101.db2.gz PBHYAPIEKDXLRY-OAHLLOKOSA-N 1 2 393.513 0.815 20 30 GCEDLO CC(=O)N1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000329856230 1196234398 /nfs/dbraw/zinc/23/43/98/1196234398.db2.gz UPLGWXAKFVWZRJ-UHFFFAOYSA-N 1 2 388.472 0.569 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCO[C@]4(CCOC4)C3)ccn2)CC1 ZINC000329912886 1196238669 /nfs/dbraw/zinc/23/86/69/1196238669.db2.gz WZMXKKCWCCXAKG-LJQANCHMSA-N 1 2 389.456 0.506 20 30 GCEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)CC[C@@H]2CCCCN2C(C)=O)CC1 ZINC000330178285 1196257893 /nfs/dbraw/zinc/25/78/93/1196257893.db2.gz DOUNXSKJYPWLHH-INIZCTEOSA-N 1 2 388.534 0.748 20 30 GCEDLO CC(C)(C)N1C[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000330262295 1196262440 /nfs/dbraw/zinc/26/24/40/1196262440.db2.gz UUQKTOZMWRDBPR-HNNXBMFYSA-N 1 2 389.504 0.502 20 30 GCEDLO CNS(=O)(=O)NC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000281041723 1196272578 /nfs/dbraw/zinc/27/25/78/1196272578.db2.gz QCZCRKLSXXBDNR-QGZVFWFLSA-N 1 2 391.497 0.572 20 30 GCEDLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330331313 1196289367 /nfs/dbraw/zinc/28/93/67/1196289367.db2.gz NZPZFVFMLPOTJR-LSDHHAIUSA-N 1 2 393.492 0.285 20 30 GCEDLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)C1 ZINC000330331313 1196289370 /nfs/dbraw/zinc/28/93/70/1196289370.db2.gz NZPZFVFMLPOTJR-LSDHHAIUSA-N 1 2 393.492 0.285 20 30 GCEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000281471813 1196298796 /nfs/dbraw/zinc/29/87/96/1196298796.db2.gz WAMIDXGKHBLUNN-HOTGVXAUSA-N 1 2 388.468 0.671 20 30 GCEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000281471813 1196298799 /nfs/dbraw/zinc/29/87/99/1196298799.db2.gz WAMIDXGKHBLUNN-HOTGVXAUSA-N 1 2 388.468 0.671 20 30 GCEDLO N#CC1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000609855089 1196419212 /nfs/dbraw/zinc/41/92/12/1196419212.db2.gz BJRGLNMCNWVQIY-UHFFFAOYSA-N 1 2 377.470 0.343 20 30 GCEDLO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445161530 1196554855 /nfs/dbraw/zinc/55/48/55/1196554855.db2.gz JFOUHTREJHLZQK-CQSZACIVSA-N 1 2 389.456 0.458 20 30 GCEDLO Cc1cc(S(=O)(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)ccc1C#N ZINC000446758892 1196669094 /nfs/dbraw/zinc/66/90/94/1196669094.db2.gz CVXZZJHBYNPMSJ-UHFFFAOYSA-N 1 2 399.476 0.872 20 30 GCEDLO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)no1 ZINC000022843000 1196764257 /nfs/dbraw/zinc/76/42/57/1196764257.db2.gz RRAYMXRYVSSDTR-QGZVFWFLSA-N 1 2 399.451 0.851 20 30 GCEDLO CS(=O)(=O)N1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528344160 1196848562 /nfs/dbraw/zinc/84/85/62/1196848562.db2.gz HMTPXPPOWGNOKZ-UHFFFAOYSA-N 1 2 375.450 0.253 20 30 GCEDLO CS(=O)(=O)N1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528344160 1196848568 /nfs/dbraw/zinc/84/85/68/1196848568.db2.gz HMTPXPPOWGNOKZ-UHFFFAOYSA-N 1 2 375.450 0.253 20 30 GCEDLO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000528508880 1196865386 /nfs/dbraw/zinc/86/53/86/1196865386.db2.gz WPBZWJDYEKYXQN-CQSZACIVSA-N 1 2 375.450 0.252 20 30 GCEDLO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000528508880 1196865391 /nfs/dbraw/zinc/86/53/91/1196865391.db2.gz WPBZWJDYEKYXQN-CQSZACIVSA-N 1 2 375.450 0.252 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000528730095 1196882790 /nfs/dbraw/zinc/88/27/90/1196882790.db2.gz QZPHIIFPPYWHMV-OAHLLOKOSA-N 1 2 377.489 0.388 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000528730095 1196882797 /nfs/dbraw/zinc/88/27/97/1196882797.db2.gz QZPHIIFPPYWHMV-OAHLLOKOSA-N 1 2 377.489 0.388 20 30 GCEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](F)C2)CC1 ZINC000451188616 1196978915 /nfs/dbraw/zinc/97/89/15/1196978915.db2.gz OFSFYPJIAVVOSG-HNNXBMFYSA-N 1 2 380.445 0.435 20 30 GCEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000451188616 1196978916 /nfs/dbraw/zinc/97/89/16/1196978916.db2.gz OFSFYPJIAVVOSG-HNNXBMFYSA-N 1 2 380.445 0.435 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000531699303 1197092768 /nfs/dbraw/zinc/09/27/68/1197092768.db2.gz ZUEJTUSPRJBCSI-ZIAGYGMSSA-N 1 2 380.470 0.062 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000531699303 1197092771 /nfs/dbraw/zinc/09/27/71/1197092771.db2.gz ZUEJTUSPRJBCSI-ZIAGYGMSSA-N 1 2 380.470 0.062 20 30 GCEDLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000610194434 1197153499 /nfs/dbraw/zinc/15/34/99/1197153499.db2.gz FXWDDVWNGDCJNT-UHFFFAOYSA-N 1 2 376.442 0.233 20 30 GCEDLO CC[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000532760887 1197409377 /nfs/dbraw/zinc/40/93/77/1197409377.db2.gz MVHNGOGFUNGXOS-HNNXBMFYSA-N 1 2 392.481 0.512 20 30 GCEDLO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000532760887 1197409379 /nfs/dbraw/zinc/40/93/79/1197409379.db2.gz MVHNGOGFUNGXOS-HNNXBMFYSA-N 1 2 392.481 0.512 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)n(CCC#N)n1 ZINC000532995737 1197425372 /nfs/dbraw/zinc/42/53/72/1197425372.db2.gz SVIYRKFOUGITJB-UHFFFAOYSA-N 1 2 376.461 0.613 20 30 GCEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000462297263 1198993647 /nfs/dbraw/zinc/99/36/47/1198993647.db2.gz MNISVGHJQWPNOM-QGZVFWFLSA-N 1 2 398.444 0.970 20 30 GCEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000462297263 1198993651 /nfs/dbraw/zinc/99/36/51/1198993651.db2.gz MNISVGHJQWPNOM-QGZVFWFLSA-N 1 2 398.444 0.970 20 30 GCEDLO CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1C#N ZINC000273433205 1198994870 /nfs/dbraw/zinc/99/48/70/1198994870.db2.gz LYNGQTOEYHKGJX-UHFFFAOYSA-N 1 2 389.412 0.202 20 30 GCEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000123134075 1199060471 /nfs/dbraw/zinc/06/04/71/1199060471.db2.gz HYLVLSLBGXZSAE-AWEZNQCLSA-N 1 2 388.497 0.634 20 30 GCEDLO N#Cc1nc(N)n(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1C#N ZINC000123356975 1199780451 /nfs/dbraw/zinc/78/04/51/1199780451.db2.gz CBWUJFWKNHPAIA-UHFFFAOYSA-N 1 2 391.435 0.488 20 30 GCEDLO C=CCn1c(CNC(=O)c2ccco2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000508910644 1199780489 /nfs/dbraw/zinc/78/04/89/1199780489.db2.gz DJAWKVLEZRXPLR-OAHLLOKOSA-N 1 2 386.456 0.898 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2OC)c1 ZINC000946644297 1199911883 /nfs/dbraw/zinc/91/18/83/1199911883.db2.gz WKKCHWUYAPAVLQ-JOCBIADPSA-N 1 2 379.420 0.545 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2OC)c1 ZINC000946644297 1199911884 /nfs/dbraw/zinc/91/18/84/1199911884.db2.gz WKKCHWUYAPAVLQ-JOCBIADPSA-N 1 2 379.420 0.545 20 30 GCEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]c[nH]1 ZINC001004721325 1199917596 /nfs/dbraw/zinc/91/75/96/1199917596.db2.gz HEVFCXKQNKBWFM-OIISXLGYSA-N 1 2 379.420 0.921 20 30 GCEDLO CO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000946816041 1200169043 /nfs/dbraw/zinc/16/90/43/1200169043.db2.gz CTKDILOVTOSPLP-GKLJAUDBSA-N 1 2 382.424 0.379 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@@H]1n1ccnn1 ZINC001128993666 1200394671 /nfs/dbraw/zinc/39/46/71/1200394671.db2.gz KXYOPJRIYGEHIN-NCOADZHNSA-N 1 2 390.488 0.079 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@@H]1n1ccnn1 ZINC001128993666 1200394674 /nfs/dbraw/zinc/39/46/74/1200394674.db2.gz KXYOPJRIYGEHIN-NCOADZHNSA-N 1 2 390.488 0.079 20 30 GCEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448501683 1200607287 /nfs/dbraw/zinc/60/72/87/1200607287.db2.gz RQJLNGOLJKZUKH-UHFFFAOYSA-N 1 2 397.479 1.369 20 30 GCEDLO Cn1nc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1OC(F)F ZINC000330231197 1200631738 /nfs/dbraw/zinc/63/17/38/1200631738.db2.gz DXNZIKAVDAHIJT-HNNXBMFYSA-N 1 2 391.444 1.555 20 30 GCEDLO Cc1cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)nn1CCC#N ZINC000504604825 1200802044 /nfs/dbraw/zinc/80/20/44/1200802044.db2.gz HDTRIWULSJRKJP-INIZCTEOSA-N 1 2 390.488 0.907 20 30 GCEDLO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000282549142 1201143358 /nfs/dbraw/zinc/14/33/58/1201143358.db2.gz IRFZNNNPONPLGJ-UHFFFAOYSA-N 1 2 386.504 0.855 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000923574938 1201155435 /nfs/dbraw/zinc/15/54/35/1201155435.db2.gz WYWLRWMZOMKJGX-CQSZACIVSA-N 1 2 395.481 0.903 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000923574938 1201155439 /nfs/dbraw/zinc/15/54/39/1201155439.db2.gz WYWLRWMZOMKJGX-CQSZACIVSA-N 1 2 395.481 0.903 20 30 GCEDLO COCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000611173419 1201220937 /nfs/dbraw/zinc/22/09/37/1201220937.db2.gz DKXPLYMVLXPJMR-DLBZAZTESA-N 1 2 382.482 0.628 20 30 GCEDLO COCC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000611173419 1201220940 /nfs/dbraw/zinc/22/09/40/1201220940.db2.gz 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C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C1CC1)C2 ZINC001109294005 1202014875 /nfs/dbraw/zinc/01/48/75/1202014875.db2.gz KNXFHWCDYRACLH-WBTNSWJXSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C1CC1)C2 ZINC001109294005 1202014876 /nfs/dbraw/zinc/01/48/76/1202014876.db2.gz KNXFHWCDYRACLH-WBTNSWJXSA-N 1 2 378.473 0.535 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cn3cccn3)o1)C2 ZINC001109314373 1202021230 /nfs/dbraw/zinc/02/12/30/1202021230.db2.gz ONHJVYQWOUOCLA-PVAVHDDUSA-N 1 2 381.436 0.609 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cn3cccn3)o1)C2 ZINC001109314373 1202021232 /nfs/dbraw/zinc/02/12/32/1202021232.db2.gz ONHJVYQWOUOCLA-PVAVHDDUSA-N 1 2 381.436 0.609 20 30 GCEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N[C@H](C)C(=O)N(C)C ZINC001109340039 1202021919 /nfs/dbraw/zinc/02/19/19/1202021919.db2.gz KECQQDFUYPRESD-WCVJEAGWSA-N 1 2 378.517 0.903 20 30 GCEDLO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N[C@H](C)C(=O)N(C)C ZINC001109340039 1202021920 /nfs/dbraw/zinc/02/19/20/1202021920.db2.gz KECQQDFUYPRESD-WCVJEAGWSA-N 1 2 378.517 0.903 20 30 GCEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109335532 1202021925 /nfs/dbraw/zinc/02/19/25/1202021925.db2.gz WDOOPPLWLREJMK-RDBSUJKOSA-N 1 2 382.892 0.445 20 30 GCEDLO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109335532 1202021926 /nfs/dbraw/zinc/02/19/26/1202021926.db2.gz WDOOPPLWLREJMK-RDBSUJKOSA-N 1 2 382.892 0.445 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3ccn(C)n3)on1)C2 ZINC001109328646 1202022399 /nfs/dbraw/zinc/02/23/99/1202022399.db2.gz UGRAXQUZEPADSG-INWMFGNUSA-N 1 2 382.424 0.160 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3ccn(C)n3)on1)C2 ZINC001109328646 1202022403 /nfs/dbraw/zinc/02/24/03/1202022403.db2.gz UGRAXQUZEPADSG-INWMFGNUSA-N 1 2 382.424 0.160 20 30 GCEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(C)(=O)=O)CCOCC1 ZINC001109390773 1202037731 /nfs/dbraw/zinc/03/77/31/1202037731.db2.gz FFFOOQOVKPEQST-IKGGRYGDSA-N 1 2 382.526 0.963 20 30 GCEDLO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(C)(=O)=O)CCOCC1 ZINC001109390773 1202037732 /nfs/dbraw/zinc/03/77/32/1202037732.db2.gz FFFOOQOVKPEQST-IKGGRYGDSA-N 1 2 382.526 0.963 20 30 GCEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000768918867 1202038587 /nfs/dbraw/zinc/03/85/87/1202038587.db2.gz MKJOPVWRPOVWSS-OAHLLOKOSA-N 1 2 384.436 0.771 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 ZINC001109404883 1202038973 /nfs/dbraw/zinc/03/89/73/1202038973.db2.gz PMDCBYOBAIZCPO-SQNIBIBYSA-N 1 2 378.436 0.847 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 ZINC001109404883 1202038974 /nfs/dbraw/zinc/03/89/74/1202038974.db2.gz PMDCBYOBAIZCPO-SQNIBIBYSA-N 1 2 378.436 0.847 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1C(F)F)C2 ZINC001109410847 1202039526 /nfs/dbraw/zinc/03/95/26/1202039526.db2.gz YHURRZCBURBLSB-RFHZTLPTSA-N 1 2 379.411 0.831 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)nc1C(F)F)C2 ZINC001109410847 1202039528 /nfs/dbraw/zinc/03/95/28/1202039528.db2.gz YHURRZCBURBLSB-RFHZTLPTSA-N 1 2 379.411 0.831 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)c3ccccc31)C2 ZINC001109415010 1202042556 /nfs/dbraw/zinc/04/25/56/1202042556.db2.gz YLLXIBCLRWGPKE-QCSYZSNVSA-N 1 2 382.464 0.537 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CNC(=O)c3ccccc31)C2 ZINC001109415010 1202042558 /nfs/dbraw/zinc/04/25/58/1202042558.db2.gz YLLXIBCLRWGPKE-QCSYZSNVSA-N 1 2 382.464 0.537 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COCC)CC1)C2 ZINC001109465069 1202056974 /nfs/dbraw/zinc/05/69/74/1202056974.db2.gz KAVWOLFQYJKOFG-ILXRZTDVSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COCC)CC1)C2 ZINC001109465069 1202056978 /nfs/dbraw/zinc/05/69/78/1202056978.db2.gz KAVWOLFQYJKOFG-ILXRZTDVSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)COC)C2 ZINC001109522023 1202070223 /nfs/dbraw/zinc/07/02/23/1202070223.db2.gz KCMDUIDRALTHOA-XGUBFFRZSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)COC)C2 ZINC001109522023 1202070225 /nfs/dbraw/zinc/07/02/25/1202070225.db2.gz KCMDUIDRALTHOA-XGUBFFRZSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)c(C)nn3C)C2 ZINC001109579226 1202083603 /nfs/dbraw/zinc/08/36/03/1202083603.db2.gz JYNVAVJMJJQXRX-PVAVHDDUSA-N 1 2 382.468 0.914 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)c(C)nn3C)C2 ZINC001109579226 1202083605 /nfs/dbraw/zinc/08/36/05/1202083605.db2.gz JYNVAVJMJJQXRX-PVAVHDDUSA-N 1 2 382.468 0.914 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)c(C)nn3C)C2 ZINC001109579189 1202083621 /nfs/dbraw/zinc/08/36/21/1202083621.db2.gz IFHZPAHWRBFMDB-PVAVHDDUSA-N 1 2 380.452 0.361 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)c(C)nn3C)C2 ZINC001109579189 1202083624 /nfs/dbraw/zinc/08/36/24/1202083624.db2.gz IFHZPAHWRBFMDB-PVAVHDDUSA-N 1 2 380.452 0.361 20 30 GCEDLO Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)c1-n1cccc1 ZINC001109582371 1202084422 /nfs/dbraw/zinc/08/44/22/1202084422.db2.gz SSJDDCGOYUJGLG-KBMXLJTQSA-N 1 2 381.440 0.186 20 30 GCEDLO Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)c1-n1cccc1 ZINC001109582371 1202084425 /nfs/dbraw/zinc/08/44/25/1202084425.db2.gz SSJDDCGOYUJGLG-KBMXLJTQSA-N 1 2 381.440 0.186 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(F)(F)F)C2 ZINC001109615892 1202092087 /nfs/dbraw/zinc/09/20/87/1202092087.db2.gz UXETXWVZXNVNMV-WYUUTHIRSA-N 1 2 376.379 0.918 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(F)(F)F)C2 ZINC001109615892 1202092088 /nfs/dbraw/zinc/09/20/88/1202092088.db2.gz UXETXWVZXNVNMV-WYUUTHIRSA-N 1 2 376.379 0.918 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C2 ZINC001109639138 1202094421 /nfs/dbraw/zinc/09/44/21/1202094421.db2.gz PYRJNDJLVOMDGM-MQYQWHSLSA-N 1 2 376.423 0.893 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)C2 ZINC001109639138 1202094423 /nfs/dbraw/zinc/09/44/23/1202094423.db2.gz PYRJNDJLVOMDGM-MQYQWHSLSA-N 1 2 376.423 0.893 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(C)c2Cc2ccccc2)CC1 ZINC000770435070 1202098757 /nfs/dbraw/zinc/09/87/57/1202098757.db2.gz PCJDLDQFZDKWPE-UHFFFAOYSA-N 1 2 393.491 0.908 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C)c2Cc2ccccc2)CC1 ZINC000770435070 1202098760 /nfs/dbraw/zinc/09/87/60/1202098760.db2.gz PCJDLDQFZDKWPE-UHFFFAOYSA-N 1 2 393.491 0.908 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)c1)C2 ZINC001109698477 1202105272 /nfs/dbraw/zinc/10/52/72/1202105272.db2.gz ICUVSBGZWQAATG-NJAFHUGGSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cncn3)c1)C2 ZINC001109698477 1202105277 /nfs/dbraw/zinc/10/52/77/1202105277.db2.gz ICUVSBGZWQAATG-NJAFHUGGSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC001109739664 1202115780 /nfs/dbraw/zinc/11/57/80/1202115780.db2.gz CEZKHGRCKOVDLB-ODICJLLRSA-N 1 2 376.457 0.287 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC001109739664 1202115781 /nfs/dbraw/zinc/11/57/81/1202115781.db2.gz CEZKHGRCKOVDLB-ODICJLLRSA-N 1 2 376.457 0.287 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccccn3)c1)C2 ZINC001109776674 1202121844 /nfs/dbraw/zinc/12/18/44/1202121844.db2.gz XNFQXEHJRCIDRZ-IKGGRYGDSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccccn3)c1)C2 ZINC001109776674 1202121845 /nfs/dbraw/zinc/12/18/45/1202121845.db2.gz XNFQXEHJRCIDRZ-IKGGRYGDSA-N 1 2 378.436 0.352 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC ZINC001109826351 1202130056 /nfs/dbraw/zinc/13/00/56/1202130056.db2.gz DJTXTSPWDJLJET-MDLJMBGESA-N 1 2 378.473 0.535 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC ZINC001109826351 1202130058 /nfs/dbraw/zinc/13/00/58/1202130058.db2.gz DJTXTSPWDJLJET-MDLJMBGESA-N 1 2 378.473 0.535 20 30 GCEDLO COc1cccn2ncc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@@H+]4CC(=O)NCC#N)c12 ZINC001109849559 1202135475 /nfs/dbraw/zinc/13/54/75/1202135475.db2.gz WZXXUFGCLIFISU-SNPRPXQTSA-N 1 2 382.424 0.318 20 30 GCEDLO COc1cccn2ncc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@H+]4CC(=O)NCC#N)c12 ZINC001109849559 1202135476 /nfs/dbraw/zinc/13/54/76/1202135476.db2.gz WZXXUFGCLIFISU-SNPRPXQTSA-N 1 2 382.424 0.318 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N3CCCC3)nc1)C2 ZINC001109849181 1202135799 /nfs/dbraw/zinc/13/57/99/1202135799.db2.gz HAOKSMDSWAMSHE-SQNIBIBYSA-N 1 2 381.480 0.766 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N3CCCC3)nc1)C2 ZINC001109849181 1202135803 /nfs/dbraw/zinc/13/58/03/1202135803.db2.gz HAOKSMDSWAMSHE-SQNIBIBYSA-N 1 2 381.480 0.766 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)NC(C)=O)C2 ZINC001109852339 1202136309 /nfs/dbraw/zinc/13/63/09/1202136309.db2.gz VGOVOAFNRGVZPD-PMPSAXMXSA-N 1 2 377.489 0.385 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)NC(C)=O)C2 ZINC001109852339 1202136312 /nfs/dbraw/zinc/13/63/12/1202136312.db2.gz VGOVOAFNRGVZPD-PMPSAXMXSA-N 1 2 377.489 0.385 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(N3CCOCC3)CCC1)C2 ZINC001109909922 1202148889 /nfs/dbraw/zinc/14/88/89/1202148889.db2.gz UBODMQBRWCEJRY-IKGGRYGDSA-N 1 2 376.501 0.265 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(N3CCOCC3)CCC1)C2 ZINC001109909922 1202148890 /nfs/dbraw/zinc/14/88/90/1202148890.db2.gz UBODMQBRWCEJRY-IKGGRYGDSA-N 1 2 376.501 0.265 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cn3cccn3)on1)C2 ZINC001109941012 1202155333 /nfs/dbraw/zinc/15/53/33/1202155333.db2.gz ICTVVSXXYADKHJ-KMFMINBZSA-N 1 2 382.424 0.004 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cn3cccn3)on1)C2 ZINC001109941012 1202155334 /nfs/dbraw/zinc/15/53/34/1202155334.db2.gz ICTVVSXXYADKHJ-KMFMINBZSA-N 1 2 382.424 0.004 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1csc(COC)n1)C2 ZINC001109950236 1202156886 /nfs/dbraw/zinc/15/68/86/1202156886.db2.gz RZVVPFWSOLSFRU-ILXRZTDVSA-N 1 2 376.482 0.303 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1csc(COC)n1)C2 ZINC001109950236 1202156887 /nfs/dbraw/zinc/15/68/87/1202156887.db2.gz RZVVPFWSOLSFRU-ILXRZTDVSA-N 1 2 376.482 0.303 20 30 GCEDLO N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970192 1202162833 /nfs/dbraw/zinc/16/28/33/1202162833.db2.gz REPFQTPUDQGTGY-COXVUDFISA-N 1 2 379.424 0.242 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCOC2)nc1 ZINC001109998445 1202170961 /nfs/dbraw/zinc/17/09/61/1202170961.db2.gz YYPQJBFHHCYMOD-NBMJBFSESA-N 1 2 382.464 0.551 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCOC2)nc1 ZINC001109998445 1202170964 /nfs/dbraw/zinc/17/09/64/1202170964.db2.gz YYPQJBFHHCYMOD-NBMJBFSESA-N 1 2 382.464 0.551 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C(=O)NC3=O)C2 ZINC001109998318 1202170971 /nfs/dbraw/zinc/17/09/71/1202170971.db2.gz SLALMXXMPHDBJL-KCXAZCMYSA-N 1 2 382.420 0.208 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C(=O)NC3=O)C2 ZINC001109998318 1202170972 /nfs/dbraw/zinc/17/09/72/1202170972.db2.gz SLALMXXMPHDBJL-KCXAZCMYSA-N 1 2 382.420 0.208 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NCC=C)nc1 ZINC001110002823 1202173052 /nfs/dbraw/zinc/17/30/52/1202173052.db2.gz WNJNBMVOHFMAGA-PVAVHDDUSA-N 1 2 381.436 0.410 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NCC=C)nc1 ZINC001110002823 1202173056 /nfs/dbraw/zinc/17/30/56/1202173056.db2.gz WNJNBMVOHFMAGA-PVAVHDDUSA-N 1 2 381.436 0.410 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(NC(C)=O)c1)C2 ZINC001110010897 1202173567 /nfs/dbraw/zinc/17/35/67/1202173567.db2.gz MWYBCUFLWNZELB-QYZOEREBSA-N 1 2 382.464 0.658 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(NC(C)=O)c1)C2 ZINC001110010897 1202173569 /nfs/dbraw/zinc/17/35/69/1202173569.db2.gz MWYBCUFLWNZELB-QYZOEREBSA-N 1 2 382.464 0.658 20 30 GCEDLO N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000787790068 1205403194 /nfs/dbraw/zinc/40/31/94/1205403194.db2.gz KMTYGOLPEKYZOR-MRXNPFEDSA-N 1 2 380.408 0.556 20 30 GCEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000746813397 1205439938 /nfs/dbraw/zinc/43/99/38/1205439938.db2.gz YOVYRHGDOIJBGD-CQSZACIVSA-N 1 2 388.424 0.623 20 30 GCEDLO C#CCNc1nc(N2CCC[C@@H](CCO)C2)nc(N2CCC[C@@H](CCO)C2)[nH+]1 ZINC000804431577 1205515846 /nfs/dbraw/zinc/51/58/46/1205515846.db2.gz DXJKORVHFMXICW-IRXDYDNUSA-N 1 2 388.516 0.536 20 30 GCEDLO C#CCNc1nc(N2CCC[C@@H](CCO)C2)[nH+]c(N2CCC[C@@H](CCO)C2)n1 ZINC000804431577 1205515848 /nfs/dbraw/zinc/51/58/48/1205515848.db2.gz DXJKORVHFMXICW-IRXDYDNUSA-N 1 2 388.516 0.536 20 30 GCEDLO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2OCC[C@H]2CC)n[nH]1 ZINC001130220554 1205536658 /nfs/dbraw/zinc/53/66/58/1205536658.db2.gz DDQUSRFDKBBEDJ-AESZEHBQSA-N 1 2 375.473 0.721 20 30 GCEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000805477493 1205537220 /nfs/dbraw/zinc/53/72/20/1205537220.db2.gz KMMBSEQPBSBHER-MRXNPFEDSA-N 1 2 383.408 0.946 20 30 GCEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000805477493 1205537222 /nfs/dbraw/zinc/53/72/22/1205537222.db2.gz KMMBSEQPBSBHER-MRXNPFEDSA-N 1 2 383.408 0.946 20 30 GCEDLO C[N@@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000807509347 1205583191 /nfs/dbraw/zinc/58/31/91/1205583191.db2.gz HOSTYKRPZSUEEF-CYBMUJFWSA-N 1 2 392.464 0.000 20 30 GCEDLO C[N@H+]1CCN(C(=O)NCCn2cnc(C#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000807509347 1205583192 /nfs/dbraw/zinc/58/31/92/1205583192.db2.gz HOSTYKRPZSUEEF-CYBMUJFWSA-N 1 2 392.464 0.000 20 30 GCEDLO C#C[C@@H](NC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[C@H]1CCCO1 ZINC000809310795 1205622194 /nfs/dbraw/zinc/62/21/94/1205622194.db2.gz DGUQQEYXXWTEAA-IAGOWNOFSA-N 1 2 399.495 0.854 20 30 GCEDLO C#C[C@@H](NC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[C@@H]1CCCO1 ZINC000809310803 1205622208 /nfs/dbraw/zinc/62/22/08/1205622208.db2.gz DGUQQEYXXWTEAA-SJORKVTESA-N 1 2 399.495 0.854 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C#N ZINC000809501431 1205626503 /nfs/dbraw/zinc/62/65/03/1205626503.db2.gz JFKGSQLYXYZERP-KRWDZBQOSA-N 1 2 386.452 0.506 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(N)=O)cs1)C2 ZINC001110168354 1205718938 /nfs/dbraw/zinc/71/89/38/1205718938.db2.gz PECMDHGCZXUTEC-GHYVTOPFSA-N 1 2 376.482 0.873 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(N)=O)cs1)C2 ZINC001110168354 1205718939 /nfs/dbraw/zinc/71/89/39/1205718939.db2.gz PECMDHGCZXUTEC-GHYVTOPFSA-N 1 2 376.482 0.873 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(N)=O)cs1)C2 ZINC001110168356 1205719075 /nfs/dbraw/zinc/71/90/75/1205719075.db2.gz PECMDHGCZXUTEC-ZZVYKPCYSA-N 1 2 376.482 0.873 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(N)=O)cs1)C2 ZINC001110168356 1205719076 /nfs/dbraw/zinc/71/90/76/1205719076.db2.gz PECMDHGCZXUTEC-ZZVYKPCYSA-N 1 2 376.482 0.873 20 30 GCEDLO C#CC1(O)CC[NH+](CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CC1 ZINC001174883310 1205732541 /nfs/dbraw/zinc/73/25/41/1205732541.db2.gz XGTQGZLQLVMQCW-FQEVSTJZSA-N 1 2 384.436 0.335 20 30 GCEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001176524878 1205748823 /nfs/dbraw/zinc/74/88/23/1205748823.db2.gz VTMBCCSGVLVRDC-YTQPIUFNSA-N 1 2 378.517 0.685 20 30 GCEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2CCOC[C@@]2(CO)C1 ZINC001176524878 1205748826 /nfs/dbraw/zinc/74/88/26/1205748826.db2.gz VTMBCCSGVLVRDC-YTQPIUFNSA-N 1 2 378.517 0.685 20 30 GCEDLO N#Cc1cc(Nc2[nH+]cnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1F ZINC001176612849 1205749972 /nfs/dbraw/zinc/74/99/72/1205749972.db2.gz MEQFUOGMHBQBCA-ATNYBXOESA-N 1 2 385.355 0.797 20 30 GCEDLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC001176609535 1205751195 /nfs/dbraw/zinc/75/11/95/1205751195.db2.gz DIDRNHLEIRBHOS-CYBMUJFWSA-N 1 2 393.465 0.999 20 30 GCEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC001177128158 1205761414 /nfs/dbraw/zinc/76/14/14/1205761414.db2.gz FVZTUXQGIJBEKJ-MRXNPFEDSA-N 1 2 394.497 0.719 20 30 GCEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC001177128158 1205761416 /nfs/dbraw/zinc/76/14/16/1205761416.db2.gz FVZTUXQGIJBEKJ-MRXNPFEDSA-N 1 2 394.497 0.719 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(F)c(F)c1)C2 ZINC001110200781 1205763134 /nfs/dbraw/zinc/76/31/34/1205763134.db2.gz XVPDWILMHCWFRB-RLCCDNCMSA-N 1 2 378.379 0.705 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(F)c(F)c1)C2 ZINC001110200781 1205763136 /nfs/dbraw/zinc/76/31/36/1205763136.db2.gz XVPDWILMHCWFRB-RLCCDNCMSA-N 1 2 378.379 0.705 20 30 GCEDLO CCOC(=O)CO/N=C(\C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc[nH]n1 ZINC001177267295 1205766100 /nfs/dbraw/zinc/76/61/00/1205766100.db2.gz VLUREDNIBIWJMC-JBWVZOQYSA-N 1 2 386.412 0.484 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(=C\c2cccs2)NC(C)=O)CC1 ZINC000817530091 1205850172 /nfs/dbraw/zinc/85/01/72/1205850172.db2.gz UYKDZGGLBXKMBH-GHRIWEEISA-N 1 2 388.493 0.509 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(=C\c2cccs2)NC(C)=O)CC1 ZINC000817530091 1205850175 /nfs/dbraw/zinc/85/01/75/1205850175.db2.gz UYKDZGGLBXKMBH-GHRIWEEISA-N 1 2 388.493 0.509 20 30 GCEDLO CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302115 1205870442 /nfs/dbraw/zinc/87/04/42/1205870442.db2.gz TULOTQGQPQSQOT-OAGGEKHMSA-N 1 2 382.530 0.896 20 30 GCEDLO CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302115 1205870444 /nfs/dbraw/zinc/87/04/44/1205870444.db2.gz TULOTQGQPQSQOT-OAGGEKHMSA-N 1 2 382.530 0.896 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CC1)C2 ZINC001110312218 1205874081 /nfs/dbraw/zinc/87/40/81/1205874081.db2.gz KFVDMHWYTSVFAE-MIGQKNRLSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC1CC1)C2 ZINC001110312218 1205874082 /nfs/dbraw/zinc/87/40/82/1205874082.db2.gz KFVDMHWYTSVFAE-MIGQKNRLSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCCC1)C2 ZINC001110330216 1205889352 /nfs/dbraw/zinc/88/93/52/1205889352.db2.gz RAMSXTAOYBOPFW-BMFZPTHFSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CCCC1)C2 ZINC001110330216 1205889354 /nfs/dbraw/zinc/88/93/54/1205889354.db2.gz RAMSXTAOYBOPFW-BMFZPTHFSA-N 1 2 378.473 0.679 20 30 GCEDLO CS(=O)(=O)NC1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183830536 1205900931 /nfs/dbraw/zinc/90/09/31/1205900931.db2.gz FAFZDUFUJMEVDF-QGZVFWFLSA-N 1 2 376.482 0.673 20 30 GCEDLO CS(=O)(=O)NC1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183830536 1205900933 /nfs/dbraw/zinc/90/09/33/1205900933.db2.gz FAFZDUFUJMEVDF-QGZVFWFLSA-N 1 2 376.482 0.673 20 30 GCEDLO CS(=O)(=O)N1CC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183839610 1205901424 /nfs/dbraw/zinc/90/14/24/1205901424.db2.gz ZKKAALRGFSWPFO-KRWDZBQOSA-N 1 2 376.482 0.673 20 30 GCEDLO CS(=O)(=O)N1CC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183839610 1205901426 /nfs/dbraw/zinc/90/14/26/1205901426.db2.gz ZKKAALRGFSWPFO-KRWDZBQOSA-N 1 2 376.482 0.673 20 30 GCEDLO COc1nc(C(=NC(=O)[C@H]2C[N@H+](C)CCN2C)NO)ccc1-n1cnc(C)c1 ZINC001185269827 1205920158 /nfs/dbraw/zinc/92/01/58/1205920158.db2.gz QFXXUOCKULIETM-OAHLLOKOSA-N 1 2 387.444 0.082 20 30 GCEDLO COc1nc(C(=NC(=O)[C@H]2C[N@@H+](C)CCN2C)NO)ccc1-n1cnc(C)c1 ZINC001185269827 1205920160 /nfs/dbraw/zinc/92/01/60/1205920160.db2.gz QFXXUOCKULIETM-OAHLLOKOSA-N 1 2 387.444 0.082 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc4c(cc3C#N)COCC4)CC2)C1=O ZINC001164644272 719283362 /nfs/dbraw/zinc/28/33/62/719283362.db2.gz GGYRJBHYPZTXMW-UHFFFAOYSA-N 1 2 399.495 0.785 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4c(cc3C#N)COCC4)CC2)C1=O ZINC001164644272 719283365 /nfs/dbraw/zinc/28/33/65/719283365.db2.gz GGYRJBHYPZTXMW-UHFFFAOYSA-N 1 2 399.495 0.785 20 30 GCEDLO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164644482 719283754 /nfs/dbraw/zinc/28/37/54/719283754.db2.gz LKVWFRXMHDORPM-UHFFFAOYSA-N 1 2 397.483 0.542 20 30 GCEDLO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164644482 719283758 /nfs/dbraw/zinc/28/37/58/719283758.db2.gz LKVWFRXMHDORPM-UHFFFAOYSA-N 1 2 397.483 0.542 20 30 GCEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C#N)c(OC)n1 ZINC001164697253 719846368 /nfs/dbraw/zinc/84/63/68/719846368.db2.gz CEPUOOPELWVLNJ-KBXCAEBGSA-N 1 2 375.429 0.590 20 30 GCEDLO Cc1ncc(C#N)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709346 719903083 /nfs/dbraw/zinc/90/30/83/719903083.db2.gz TYQFHBIRCVLGMQ-UHFFFAOYSA-N 1 2 380.456 0.341 20 30 GCEDLO Cc1nc(C#N)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708319 719936787 /nfs/dbraw/zinc/93/67/87/719936787.db2.gz ISLBNMKAMKRVSI-UHFFFAOYSA-N 1 2 380.456 0.341 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3C#N)C2)C1 ZINC001164719310 720227594 /nfs/dbraw/zinc/22/75/94/720227594.db2.gz RAPVLBAMEVQRKU-KRWDZBQOSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3C#N)C2)C1 ZINC001164719310 720227599 /nfs/dbraw/zinc/22/75/99/720227599.db2.gz RAPVLBAMEVQRKU-KRWDZBQOSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(OC)c(C#N)cc3F)C2)C1 ZINC001164723330 720280890 /nfs/dbraw/zinc/28/08/90/720280890.db2.gz WYJXKNJBYQYZMA-LJQANCHMSA-N 1 2 391.447 0.766 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(OC)c(C#N)cc3F)C2)C1 ZINC001164723330 720280901 /nfs/dbraw/zinc/28/09/01/720280901.db2.gz WYJXKNJBYQYZMA-LJQANCHMSA-N 1 2 391.447 0.766 20 30 GCEDLO Cc1ncc(C#N)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822698 720443531 /nfs/dbraw/zinc/44/35/31/720443531.db2.gz GPUXVQDPLGRKFS-QGZVFWFLSA-N 1 2 397.483 0.843 20 30 GCEDLO C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001573284044 946736170 /nfs/dbraw/zinc/73/61/70/946736170.db2.gz ZQFCEFDKIBVMIJ-UHFFFAOYSA-N 1 2 391.439 0.658 20 30 GCEDLO C#CCN1CCC[C@H]1C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573285981 946792315 /nfs/dbraw/zinc/79/23/15/946792315.db2.gz QPNSGIKKPORNNG-KVULBXGLSA-N 1 2 380.456 0.088 20 30 GCEDLO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001573293351 946956403 /nfs/dbraw/zinc/95/64/03/946956403.db2.gz TUWHYTHKAXSRLP-UHFFFAOYSA-N 1 2 385.476 0.497 20 30 GCEDLO C=C(Cl)C[N@@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573294599 946992398 /nfs/dbraw/zinc/99/23/98/946992398.db2.gz DLLBTORWIJKWQB-ZDUSSCGKSA-N 1 2 379.852 0.846 20 30 GCEDLO C=C(Cl)C[N@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573294599 946992405 /nfs/dbraw/zinc/99/24/05/946992405.db2.gz DLLBTORWIJKWQB-ZDUSSCGKSA-N 1 2 379.852 0.846 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001573565228 947003943 /nfs/dbraw/zinc/00/39/43/947003943.db2.gz PDRIGLQLJKGPKL-KBPBESRZSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001573570319 947087002 /nfs/dbraw/zinc/08/70/02/947087002.db2.gz MRBJVRQTSSHPFU-HIFRSBDPSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@]1(CO)CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573574659 947129917 /nfs/dbraw/zinc/12/99/17/947129917.db2.gz SJVYJZPRMCHXFB-KPZWWZAWSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573574659 947129922 /nfs/dbraw/zinc/12/99/22/947129922.db2.gz SJVYJZPRMCHXFB-KPZWWZAWSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573574660 947130597 /nfs/dbraw/zinc/13/05/97/947130597.db2.gz SJVYJZPRMCHXFB-KZULUSFZSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573574660 947130601 /nfs/dbraw/zinc/13/06/01/947130601.db2.gz SJVYJZPRMCHXFB-KZULUSFZSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@H](C#N)C(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573584251 947217274 /nfs/dbraw/zinc/21/72/74/947217274.db2.gz RXLZHHIIGGCWBP-CYBMUJFWSA-N 1 2 386.435 0.399 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001571180974 952861681 /nfs/dbraw/zinc/86/16/81/952861681.db2.gz RZEADDNLFFRYDY-KBPBESRZSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001571180979 952861927 /nfs/dbraw/zinc/86/19/27/952861927.db2.gz RZEADDNLFFRYDY-UONOGXRCSA-N 1 2 381.444 0.144 20 30 GCEDLO CS(=O)(=O)NCC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000285525855 530114060 /nfs/dbraw/zinc/11/40/60/530114060.db2.gz SAGQSCYBJKZHKQ-AWEZNQCLSA-N 1 2 382.511 0.986 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3nc(Cl)c(C#N)s3)CC2)CC1 ZINC000285958120 530124719 /nfs/dbraw/zinc/12/47/19/530124719.db2.gz AJFKMNQZGAMOCU-UHFFFAOYSA-N 1 2 390.922 0.282 20 30 GCEDLO N#Cc1ccc(OCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1Br ZINC000579674079 530192593 /nfs/dbraw/zinc/19/25/93/530192593.db2.gz XYYBLDKSQPOKGI-CYBMUJFWSA-N 1 2 379.258 0.816 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3nccc(C#N)c3Cl)CC2)CC1 ZINC000561142785 530193707 /nfs/dbraw/zinc/19/37/07/530193707.db2.gz SSGCUXLDBLFATJ-UHFFFAOYSA-N 1 2 384.893 0.221 20 30 GCEDLO N#C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCO1 ZINC000409557341 530230021 /nfs/dbraw/zinc/23/00/21/530230021.db2.gz UIZTVWODESQVRA-INIZCTEOSA-N 1 2 384.889 0.927 20 30 GCEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CCO1 ZINC000450910004 530252940 /nfs/dbraw/zinc/25/29/40/530252940.db2.gz JMSMZKHLDQWAPP-GFCCVEGCSA-N 1 2 395.257 0.579 20 30 GCEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CCO1 ZINC000450910004 530252943 /nfs/dbraw/zinc/25/29/43/530252943.db2.gz JMSMZKHLDQWAPP-GFCCVEGCSA-N 1 2 395.257 0.579 20 30 GCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000289247390 530262947 /nfs/dbraw/zinc/26/29/47/530262947.db2.gz PUEHNQAGOKLGTP-LLVKDONJSA-N 1 2 395.257 0.784 20 30 GCEDLO CCS(=O)(=O)NC1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000330643769 530522408 /nfs/dbraw/zinc/52/24/08/530522408.db2.gz SFMSFZZWRGLFEA-ZIAGYGMSSA-N 1 2 376.523 0.413 20 30 GCEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330693668 530523887 /nfs/dbraw/zinc/52/38/87/530523887.db2.gz CHSXYDHWMQBYNT-ZIAGYGMSSA-N 1 2 376.523 0.461 20 30 GCEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330693668 530523889 /nfs/dbraw/zinc/52/38/89/530523889.db2.gz CHSXYDHWMQBYNT-ZIAGYGMSSA-N 1 2 376.523 0.461 20 30 GCEDLO N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000574823016 530595445 /nfs/dbraw/zinc/59/54/45/530595445.db2.gz HFLZSANAQXVJDU-UHFFFAOYSA-N 1 2 384.483 0.029 20 30 GCEDLO N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000574823016 530595448 /nfs/dbraw/zinc/59/54/48/530595448.db2.gz HFLZSANAQXVJDU-UHFFFAOYSA-N 1 2 384.483 0.029 20 30 GCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC[N@H+]1C ZINC000349453878 530637278 /nfs/dbraw/zinc/63/72/78/530637278.db2.gz PCJVWKQKYBKNIM-OLZOCXBDSA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC[N@@H+]1C ZINC000349453878 530637280 /nfs/dbraw/zinc/63/72/80/530637280.db2.gz PCJVWKQKYBKNIM-OLZOCXBDSA-N 1 2 386.499 0.202 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000349466889 530643038 /nfs/dbraw/zinc/64/30/38/530643038.db2.gz RGSLRIUKRPDAGC-KKUMJFAQSA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000349466889 530643041 /nfs/dbraw/zinc/64/30/41/530643041.db2.gz RGSLRIUKRPDAGC-KKUMJFAQSA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC1 ZINC000349537272 530679671 /nfs/dbraw/zinc/67/96/71/530679671.db2.gz ZPGSOTALVINLCT-UHFFFAOYSA-N 1 2 394.563 0.296 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000603417540 530828602 /nfs/dbraw/zinc/82/86/02/530828602.db2.gz IMCDIKXRORZVMD-CQSZACIVSA-N 1 2 384.527 0.695 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)s1 ZINC000603417540 530828603 /nfs/dbraw/zinc/82/86/03/530828603.db2.gz IMCDIKXRORZVMD-CQSZACIVSA-N 1 2 384.527 0.695 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000603417540 530828606 /nfs/dbraw/zinc/82/86/06/530828606.db2.gz IMCDIKXRORZVMD-CQSZACIVSA-N 1 2 384.527 0.695 20 30 GCEDLO CN(C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000377849616 530902470 /nfs/dbraw/zinc/90/24/70/530902470.db2.gz INJGKSVOAATWTK-UHFFFAOYSA-N 1 2 384.889 0.996 20 30 GCEDLO CN(C)C(=O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000377849616 530902473 /nfs/dbraw/zinc/90/24/73/530902473.db2.gz INJGKSVOAATWTK-UHFFFAOYSA-N 1 2 384.889 0.996 20 30 GCEDLO CN(C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000373125649 530893363 /nfs/dbraw/zinc/89/33/63/530893363.db2.gz STGGUWSTQHPDJJ-UHFFFAOYSA-N 1 2 384.889 0.996 20 30 GCEDLO CN(C)C(=O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000373125649 530893367 /nfs/dbraw/zinc/89/33/67/530893367.db2.gz STGGUWSTQHPDJJ-UHFFFAOYSA-N 1 2 384.889 0.996 20 30 GCEDLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCCC#N ZINC000510775645 530930334 /nfs/dbraw/zinc/93/03/34/530930334.db2.gz FRTUCBXMWQNXAJ-HNNXBMFYSA-N 1 2 379.548 0.841 20 30 GCEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)CC1 ZINC000572135388 530985664 /nfs/dbraw/zinc/98/56/64/530985664.db2.gz XDILPLPLCBYITR-UHFFFAOYSA-N 1 2 386.499 0.157 20 30 GCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000271133823 531006352 /nfs/dbraw/zinc/00/63/52/531006352.db2.gz SRWOTHMIACQWIX-UHFFFAOYSA-N 1 2 385.873 0.534 20 30 GCEDLO CC(C)(C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000564665665 531175481 /nfs/dbraw/zinc/17/54/81/531175481.db2.gz CNJWPTIGVHDNQC-UHFFFAOYSA-N 1 2 386.499 0.251 20 30 GCEDLO C#CCNC(=O)C1CC[NH+]([C@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381899 598860019 /nfs/dbraw/zinc/86/00/19/598860019.db2.gz RULRYYQTCCPYQQ-INIZCTEOSA-N 1 2 382.424 0.542 20 30 GCEDLO C=CC[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735419034 598538657 /nfs/dbraw/zinc/53/86/57/598538657.db2.gz PCSWYEBJLSDXOM-LLVKDONJSA-N 1 2 396.498 0.932 20 30 GCEDLO C=CC[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735419034 598538658 /nfs/dbraw/zinc/53/86/58/598538658.db2.gz PCSWYEBJLSDXOM-LLVKDONJSA-N 1 2 396.498 0.932 20 30 GCEDLO CS(=O)(=O)CCNN=C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737163155 598820630 /nfs/dbraw/zinc/82/06/30/598820630.db2.gz UCTJSANBWHTKKQ-UHFFFAOYSA-N 1 2 377.474 0.453 20 30 GCEDLO C=C(Cl)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000736400081 640045640 /nfs/dbraw/zinc/04/56/40/640045640.db2.gz KFYUSQFYJWQHKU-UHFFFAOYSA-N 1 2 387.893 0.585 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C[NH+]2CCOCC2)s1 ZINC000874041505 641514980 /nfs/dbraw/zinc/51/49/80/641514980.db2.gz XQWQIIZGKUZDIZ-CYBMUJFWSA-N 1 2 387.527 0.592 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)NC(C)(C)C)C1 ZINC000903650026 642198916 /nfs/dbraw/zinc/19/89/16/642198916.db2.gz JOLBKUKGLKSOLJ-AWEZNQCLSA-N 1 2 379.548 0.111 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)NC(C)(C)C)C1 ZINC000903650026 642198919 /nfs/dbraw/zinc/19/89/19/642198919.db2.gz JOLBKUKGLKSOLJ-AWEZNQCLSA-N 1 2 379.548 0.111 20 30 GCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000585731159 1192401041 /nfs/dbraw/zinc/40/10/41/1192401041.db2.gz XEWSJUTXVLQBSM-CQSZACIVSA-N 1 2 381.440 0.440 20 30 GCEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000279039175 1192444176 /nfs/dbraw/zinc/44/41/76/1192444176.db2.gz BIVZZFXRVVKKTG-IYBDPMFKSA-N 1 2 393.509 0.779 20 30 GCEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000279039175 1192444178 /nfs/dbraw/zinc/44/41/78/1192444178.db2.gz BIVZZFXRVVKKTG-IYBDPMFKSA-N 1 2 393.509 0.779 20 30 GCEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000279370859 1192532173 /nfs/dbraw/zinc/53/21/73/1192532173.db2.gz SQBRNVVLMJBAEI-OAHLLOKOSA-N 1 2 381.498 0.944 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000572605075 1192715898 /nfs/dbraw/zinc/71/58/98/1192715898.db2.gz CGAGRZQTSQZJSL-KRWDZBQOSA-N 1 2 385.449 0.405 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000784914631 1184152283 /nfs/dbraw/zinc/15/22/83/1184152283.db2.gz PGYCLTBBAIZPAS-ZIAGYGMSSA-N 1 2 381.454 0.489 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000155365544 1184633528 /nfs/dbraw/zinc/63/35/28/1184633528.db2.gz ZYMRVJHWSASJLE-UONOGXRCSA-N 1 2 375.454 0.874 20 30 GCEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000784971105 1184783863 /nfs/dbraw/zinc/78/38/63/1184783863.db2.gz KVVDSYGUAHUGES-GJZGRUSLSA-N 1 2 390.440 0.067 20 30 GCEDLO N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000275674005 1184907945 /nfs/dbraw/zinc/90/79/45/1184907945.db2.gz PIHBQSAHBILUCY-UHFFFAOYSA-N 1 2 396.451 0.885 20 30 GCEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970704255 1184977084 /nfs/dbraw/zinc/97/70/84/1184977084.db2.gz MQRSBLRMJSWJPY-BHPKHCPMSA-N 1 2 380.876 0.990 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)[C@@H](C)C1 ZINC000275842442 1185173933 /nfs/dbraw/zinc/17/39/33/1185173933.db2.gz AMQQEYFGPXGXJS-AWEZNQCLSA-N 1 2 390.444 0.140 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)[C@@H](C)C1 ZINC000275842442 1185173936 /nfs/dbraw/zinc/17/39/36/1185173936.db2.gz AMQQEYFGPXGXJS-AWEZNQCLSA-N 1 2 390.444 0.140 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)[C@H](C)C1 ZINC000275842443 1185174179 /nfs/dbraw/zinc/17/41/79/1185174179.db2.gz AMQQEYFGPXGXJS-CQSZACIVSA-N 1 2 390.444 0.140 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)[C@H](C)C1 ZINC000275842443 1185174184 /nfs/dbraw/zinc/17/41/84/1185174184.db2.gz AMQQEYFGPXGXJS-CQSZACIVSA-N 1 2 390.444 0.140 20 30 GCEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000275864462 1185191311 /nfs/dbraw/zinc/19/13/11/1185191311.db2.gz DEZPEIKCXBOOMR-OAHLLOKOSA-N 1 2 387.436 0.733 20 30 GCEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000275864462 1185191315 /nfs/dbraw/zinc/19/13/15/1185191315.db2.gz DEZPEIKCXBOOMR-OAHLLOKOSA-N 1 2 387.436 0.733 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCCC ZINC001111488520 1185224541 /nfs/dbraw/zinc/22/45/41/1185224541.db2.gz MMAFNTISKWMSOC-FPCVCCKLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCCC ZINC001111488520 1185224546 /nfs/dbraw/zinc/22/45/46/1185224546.db2.gz MMAFNTISKWMSOC-FPCVCCKLSA-N 1 2 380.489 0.925 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@@H](C)C1 ZINC000275942190 1185329490 /nfs/dbraw/zinc/32/94/90/1185329490.db2.gz PNINUDFYVCGPEU-AWEZNQCLSA-N 1 2 384.436 0.543 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@@H](C)C1 ZINC000275942190 1185329498 /nfs/dbraw/zinc/32/94/98/1185329498.db2.gz PNINUDFYVCGPEU-AWEZNQCLSA-N 1 2 384.436 0.543 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ncccc1OCCCC#N ZINC000276096019 1185568415 /nfs/dbraw/zinc/56/84/15/1185568415.db2.gz QOHPBIYXFNXYHP-HNNXBMFYSA-N 1 2 377.445 0.921 20 30 GCEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000581600755 1185780568 /nfs/dbraw/zinc/78/05/68/1185780568.db2.gz NVYSQYOMNOPGNV-CYBMUJFWSA-N 1 2 390.407 0.827 20 30 GCEDLO C=C(C)CS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000276514520 1185856736 /nfs/dbraw/zinc/85/67/36/1185856736.db2.gz FJGXBWUYFXOXCZ-OAHLLOKOSA-N 1 2 381.502 0.778 20 30 GCEDLO C=C(C)CS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000276514520 1185856743 /nfs/dbraw/zinc/85/67/43/1185856743.db2.gz FJGXBWUYFXOXCZ-OAHLLOKOSA-N 1 2 381.502 0.778 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([S@](C)(=O)=NC)c2)C1 ZINC000891603002 1185937127 /nfs/dbraw/zinc/93/71/27/1185937127.db2.gz MRWINVVSCNYUIH-HAWMADMCSA-N 1 2 376.482 0.925 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([S@](C)(=O)=NC)c2)C1 ZINC000891603002 1185937129 /nfs/dbraw/zinc/93/71/29/1185937129.db2.gz MRWINVVSCNYUIH-HAWMADMCSA-N 1 2 376.482 0.925 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)C1 ZINC000891607714 1185938081 /nfs/dbraw/zinc/93/80/81/1185938081.db2.gz QPKZCBPFUMPWII-PBHICJAKSA-N 1 2 386.452 0.812 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)C1 ZINC000891607714 1185938084 /nfs/dbraw/zinc/93/80/84/1185938084.db2.gz QPKZCBPFUMPWII-PBHICJAKSA-N 1 2 386.452 0.812 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)C1 ZINC000891607716 1185938224 /nfs/dbraw/zinc/93/82/24/1185938224.db2.gz QPKZCBPFUMPWII-WMLDXEAASA-N 1 2 386.452 0.812 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)C1 ZINC000891607716 1185938225 /nfs/dbraw/zinc/93/82/25/1185938225.db2.gz QPKZCBPFUMPWII-WMLDXEAASA-N 1 2 386.452 0.812 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)C1 ZINC000891608338 1185938841 /nfs/dbraw/zinc/93/88/41/1185938841.db2.gz VBYYVFDAYUMASY-QGZVFWFLSA-N 1 2 384.436 0.791 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)C1 ZINC000891608338 1185938847 /nfs/dbraw/zinc/93/88/47/1185938847.db2.gz VBYYVFDAYUMASY-QGZVFWFLSA-N 1 2 384.436 0.791 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)C1 ZINC000891607961 1185939112 /nfs/dbraw/zinc/93/91/12/1185939112.db2.gz RSBVSTPMVCYOPF-YOEHRIQHSA-N 1 2 385.420 0.167 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)C1 ZINC000891607961 1185939113 /nfs/dbraw/zinc/93/91/13/1185939113.db2.gz RSBVSTPMVCYOPF-YOEHRIQHSA-N 1 2 385.420 0.167 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)C1 ZINC000891607989 1185939353 /nfs/dbraw/zinc/93/93/53/1185939353.db2.gz SMHLEWOZFCZKEF-AWEZNQCLSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)C1 ZINC000891607989 1185939354 /nfs/dbraw/zinc/93/93/54/1185939354.db2.gz SMHLEWOZFCZKEF-AWEZNQCLSA-N 1 2 377.466 0.551 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000891606041 1185939816 /nfs/dbraw/zinc/93/98/16/1185939816.db2.gz JRGSZHXGUDAWED-OAHLLOKOSA-N 1 2 392.481 0.089 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000891606041 1185939820 /nfs/dbraw/zinc/93/98/20/1185939820.db2.gz JRGSZHXGUDAWED-OAHLLOKOSA-N 1 2 392.481 0.089 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000891606356 1185939903 /nfs/dbraw/zinc/93/99/03/1185939903.db2.gz GFNYXIMXTCCYSN-GOSISDBHSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000891606356 1185939910 /nfs/dbraw/zinc/93/99/10/1185939910.db2.gz GFNYXIMXTCCYSN-GOSISDBHSA-N 1 2 398.463 0.311 20 30 GCEDLO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)[NH+]1CCOCC1 ZINC000328837694 1185941785 /nfs/dbraw/zinc/94/17/85/1185941785.db2.gz TVYVBSHZIDPCEG-SFHVURJKSA-N 1 2 395.548 0.641 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276700172 1185975756 /nfs/dbraw/zinc/97/57/56/1185975756.db2.gz IDZZPUKBKNTOHX-UHFFFAOYSA-N 1 2 375.385 0.038 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276700172 1185975761 /nfs/dbraw/zinc/97/57/61/1185975761.db2.gz IDZZPUKBKNTOHX-UHFFFAOYSA-N 1 2 375.385 0.038 20 30 GCEDLO C[C@@]1(C#N)CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000933602021 1185981836 /nfs/dbraw/zinc/98/18/36/1185981836.db2.gz PLZDCFBCLIZFJN-OAQYLSRUSA-N 1 2 384.480 0.880 20 30 GCEDLO CC[N@H+](CCCOc1cccc(C#N)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000477761359 1186045138 /nfs/dbraw/zinc/04/51/38/1186045138.db2.gz SNDOKNIPMXQFRT-MRXNPFEDSA-N 1 2 379.482 0.952 20 30 GCEDLO CC[N@@H+](CCCOc1cccc(C#N)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000477761359 1186045143 /nfs/dbraw/zinc/04/51/43/1186045143.db2.gz SNDOKNIPMXQFRT-MRXNPFEDSA-N 1 2 379.482 0.952 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCC(C)(C)C#N)CC1 ZINC000510666620 1186050404 /nfs/dbraw/zinc/05/04/04/1186050404.db2.gz MGVMWSOEAAAHET-UHFFFAOYSA-N 1 2 385.468 0.955 20 30 GCEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000276909072 1186143812 /nfs/dbraw/zinc/14/38/12/1186143812.db2.gz PZAYKXRZDBNDFV-SFHVURJKSA-N 1 2 385.468 0.633 20 30 GCEDLO CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000329008038 1186185354 /nfs/dbraw/zinc/18/53/54/1186185354.db2.gz YPUFBRRSGFDUEJ-HNNXBMFYSA-N 1 2 399.517 0.865 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277062480 1186235811 /nfs/dbraw/zinc/23/58/11/1186235811.db2.gz BXHUJZRMJFTJPL-MAUKXSAKSA-N 1 2 385.468 0.679 20 30 GCEDLO Cc1nn(C)c(N2CC[NH+](C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000472155203 1186400837 /nfs/dbraw/zinc/40/08/37/1186400837.db2.gz KGSBRXNEGZMCMI-ZOBUZTSGSA-N 1 2 376.505 0.192 20 30 GCEDLO C=CC1(CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000934320892 1186438345 /nfs/dbraw/zinc/43/83/45/1186438345.db2.gz PDQMJALCZCMUBE-INIZCTEOSA-N 1 2 397.516 0.951 20 30 GCEDLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 ZINC001708263398 1186828365 /nfs/dbraw/zinc/82/83/65/1186828365.db2.gz VDHVEYPUNMMTKV-ZACQAIPSSA-N 1 2 390.488 0.622 20 30 GCEDLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 ZINC001708263398 1186828371 /nfs/dbraw/zinc/82/83/71/1186828371.db2.gz VDHVEYPUNMMTKV-ZACQAIPSSA-N 1 2 390.488 0.622 20 30 GCEDLO CCOC(=O)CON=C(C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccn[nH]1 ZINC000278661930 1187010761 /nfs/dbraw/zinc/01/07/61/1187010761.db2.gz OBWBPSLNIXMCJB-JUZUYHRRSA-N 1 2 388.428 1.000 20 30 GCEDLO C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000584361254 1187040483 /nfs/dbraw/zinc/04/04/83/1187040483.db2.gz JFGQCASJKSBGTL-LBPRGKRZSA-N 1 2 395.466 0.278 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1O ZINC001023939945 1187180416 /nfs/dbraw/zinc/18/04/16/1187180416.db2.gz UMEQNQXOWVCPEN-NHIYQJMISA-N 1 2 376.457 0.356 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001023942183 1187182074 /nfs/dbraw/zinc/18/20/74/1187182074.db2.gz OPVNKIBBFMCYRE-LIRZEXBASA-N 1 2 384.436 0.846 20 30 GCEDLO C=CC[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000658436784 1187298915 /nfs/dbraw/zinc/29/89/15/1187298915.db2.gz GORMAKBRVPIAFE-INIZCTEOSA-N 1 2 375.473 0.969 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001024383786 1187371864 /nfs/dbraw/zinc/37/18/64/1187371864.db2.gz BCNDXALJDKLFSQ-VQHPVUNQSA-N 1 2 390.484 0.596 20 30 GCEDLO Cc1nn(C)c(N2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC2)c1C#N ZINC000472439104 1187522732 /nfs/dbraw/zinc/52/27/32/1187522732.db2.gz JRRFSBVHPPOEJL-MRXNPFEDSA-N 1 2 396.499 0.926 20 30 GCEDLO Cc1nn(C)c(N2CCN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)CC2)c1C#N ZINC000472439104 1187522733 /nfs/dbraw/zinc/52/27/33/1187522733.db2.gz JRRFSBVHPPOEJL-MRXNPFEDSA-N 1 2 396.499 0.926 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413955392 1187610092 /nfs/dbraw/zinc/61/00/92/1187610092.db2.gz KJWQUYUIXQUBTA-CQSZACIVSA-N 1 2 394.497 0.452 20 30 GCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000414104510 1187717354 /nfs/dbraw/zinc/71/73/54/1187717354.db2.gz GAKCEJPJLXRZTH-AUUYWEPGSA-N 1 2 388.424 0.475 20 30 GCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000414104510 1187717358 /nfs/dbraw/zinc/71/73/58/1187717358.db2.gz GAKCEJPJLXRZTH-AUUYWEPGSA-N 1 2 388.424 0.475 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001024958578 1187717446 /nfs/dbraw/zinc/71/74/46/1187717446.db2.gz RTEGTJOJJKJJME-ZDRJDWQYSA-N 1 2 376.457 0.320 20 30 GCEDLO COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414108737 1187718111 /nfs/dbraw/zinc/71/81/11/1187718111.db2.gz MJBZCLFHNZDGDT-MGPUTAFESA-N 1 2 386.452 0.985 20 30 GCEDLO COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414108737 1187718114 /nfs/dbraw/zinc/71/81/14/1187718114.db2.gz MJBZCLFHNZDGDT-MGPUTAFESA-N 1 2 386.452 0.985 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000066568484 1187737487 /nfs/dbraw/zinc/73/74/87/1187737487.db2.gz XQAKHTLRDZDJDZ-INIZCTEOSA-N 1 2 393.532 0.653 20 30 GCEDLO CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@@H](O)C(F)(F)F ZINC000189524073 1187941831 /nfs/dbraw/zinc/94/18/31/1187941831.db2.gz YPBAXBWCSQWXMY-CYBMUJFWSA-N 1 2 389.378 0.748 20 30 GCEDLO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@@H](O)C(F)(F)F ZINC000189524073 1187941836 /nfs/dbraw/zinc/94/18/36/1187941836.db2.gz YPBAXBWCSQWXMY-CYBMUJFWSA-N 1 2 389.378 0.748 20 30 GCEDLO C=CCNC(=O)NC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377543209 1188069395 /nfs/dbraw/zinc/06/93/95/1188069395.db2.gz PZGRQVVNCAJZGO-OAHLLOKOSA-N 1 2 395.504 0.625 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000163832821 1189407742 /nfs/dbraw/zinc/40/77/42/1189407742.db2.gz VKQJWFKHBLJVES-UHFFFAOYSA-N 1 2 382.464 0.999 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000163832821 1189407743 /nfs/dbraw/zinc/40/77/43/1189407743.db2.gz VKQJWFKHBLJVES-UHFFFAOYSA-N 1 2 382.464 0.999 20 30 GCEDLO Cc1cc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)nn1CCC#N ZINC000378516327 1189524069 /nfs/dbraw/zinc/52/40/69/1189524069.db2.gz CVENBNBHJQNAGX-QGZVFWFLSA-N 1 2 378.502 1.435 20 30 GCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000925602954 1189660954 /nfs/dbraw/zinc/66/09/54/1189660954.db2.gz YGMLFXOVARCVOF-HOTGVXAUSA-N 1 2 387.488 0.679 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000729256803 1193909278 /nfs/dbraw/zinc/90/92/78/1193909278.db2.gz ISPRCEWBMZFMPT-KRWDZBQOSA-N 1 2 382.464 0.323 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000729256803 1193909282 /nfs/dbraw/zinc/90/92/82/1193909282.db2.gz ISPRCEWBMZFMPT-KRWDZBQOSA-N 1 2 382.464 0.323 20 30 GCEDLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1)C(N)=O ZINC000513241757 1193927051 /nfs/dbraw/zinc/92/70/51/1193927051.db2.gz LTCJKGKTDIYQLP-UHFFFAOYSA-N 1 2 391.516 0.763 20 30 GCEDLO COc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000501331669 1194118780 /nfs/dbraw/zinc/11/87/80/1194118780.db2.gz WTRDMVCPXRHKKM-UHFFFAOYSA-N 1 2 398.423 0.673 20 30 GCEDLO N#Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c(F)c1 ZINC000501390676 1194138741 /nfs/dbraw/zinc/13/87/41/1194138741.db2.gz SQZKFQHIXSKJPQ-UHFFFAOYSA-N 1 2 386.387 0.803 20 30 GCEDLO C=CCN1CC[C@@H]([N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000420976303 1194279792 /nfs/dbraw/zinc/27/97/92/1194279792.db2.gz SOUDLLMWOSOKOG-OAHLLOKOSA-N 1 2 382.442 0.592 20 30 GCEDLO C=CCN1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000420976303 1194279793 /nfs/dbraw/zinc/27/97/93/1194279793.db2.gz SOUDLLMWOSOKOG-OAHLLOKOSA-N 1 2 382.442 0.592 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000016639155 1194380852 /nfs/dbraw/zinc/38/08/52/1194380852.db2.gz QYYKDRBZRZUBKS-UHFFFAOYSA-N 1 2 384.461 0.956 20 30 GCEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000422527282 1194662229 /nfs/dbraw/zinc/66/22/29/1194662229.db2.gz LOFYUSMEADPSKY-RBUKOAKNSA-N 1 2 389.496 0.442 20 30 GCEDLO C=C(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000510012632 1194866102 /nfs/dbraw/zinc/86/61/02/1194866102.db2.gz NWRAGTTVUPWPIR-UHFFFAOYSA-N 1 2 383.452 0.983 20 30 GCEDLO Cc1cc(C[N@@H+]2CCN(C(=O)CCS)C[C@]3(CCCC(=O)N3)C2)n(C)n1 ZINC001269955803 1194927967 /nfs/dbraw/zinc/92/79/67/1194927967.db2.gz SMBMVJDAULUMAP-SFHVURJKSA-N 1 2 379.530 0.732 20 30 GCEDLO Cc1cc(C[N@H+]2CCN(C(=O)CCS)C[C@]3(CCCC(=O)N3)C2)n(C)n1 ZINC001269955803 1194927969 /nfs/dbraw/zinc/92/79/69/1194927969.db2.gz SMBMVJDAULUMAP-SFHVURJKSA-N 1 2 379.530 0.732 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000435420072 1194929939 /nfs/dbraw/zinc/92/99/39/1194929939.db2.gz BBWNMYKOAYLSJE-UHFFFAOYSA-N 1 2 392.510 0.900 20 30 GCEDLO N#Cc1ccc(=O)n(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000514952170 1194932845 /nfs/dbraw/zinc/93/28/45/1194932845.db2.gz WYFBDVPTVFZUAH-UHFFFAOYSA-N 1 2 378.432 0.999 20 30 GCEDLO C[C@H]1COCCN1CCNc1nc(NCC[N@@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000436404688 1195003363 /nfs/dbraw/zinc/00/33/63/1195003363.db2.gz FVFYJWMGYJOYHX-IRXDYDNUSA-N 1 2 388.516 1.218 20 30 GCEDLO C[C@H]1COCCN1CCNc1nc(NCC[N@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000436404688 1195003366 /nfs/dbraw/zinc/00/33/66/1195003366.db2.gz FVFYJWMGYJOYHX-IRXDYDNUSA-N 1 2 388.516 1.218 20 30 GCEDLO C=CCn1cc(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000425663528 1195052099 /nfs/dbraw/zinc/05/20/99/1195052099.db2.gz PGZXYURPYWOILB-UHFFFAOYSA-N 1 2 398.471 0.397 20 30 GCEDLO CC(=O)N[C@@H](CS)C(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001270179896 1195077496 /nfs/dbraw/zinc/07/74/96/1195077496.db2.gz QMRWDCCDDKXRTJ-XQQFMLRXSA-N 1 2 383.436 0.675 20 30 GCEDLO CC(=O)N[C@@H](CS)C(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001270179896 1195077499 /nfs/dbraw/zinc/07/74/99/1195077499.db2.gz QMRWDCCDDKXRTJ-XQQFMLRXSA-N 1 2 383.436 0.675 20 30 GCEDLO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1=O ZINC000516669462 1195081117 /nfs/dbraw/zinc/08/11/17/1195081117.db2.gz REMXXNRQXMPBMS-IAGOWNOFSA-N 1 2 394.516 0.095 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000729444073 1195419765 /nfs/dbraw/zinc/41/97/65/1195419765.db2.gz GUYCEYBIHYHSKJ-CABCVRRESA-N 1 2 379.482 0.437 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncoc1[C@H]1CCCO1 ZINC000329547203 1195426482 /nfs/dbraw/zinc/42/64/82/1195426482.db2.gz BZYBCUQIKILFCK-UONOGXRCSA-N 1 2 378.429 0.764 20 30 GCEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000519604223 1195515693 /nfs/dbraw/zinc/51/56/93/1195515693.db2.gz CSVHKBWOWALOPB-INIZCTEOSA-N 1 2 392.485 0.473 20 30 GCEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000519604223 1195515695 /nfs/dbraw/zinc/51/56/95/1195515695.db2.gz CSVHKBWOWALOPB-INIZCTEOSA-N 1 2 392.485 0.473 20 30 GCEDLO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000025693558 1195576932 /nfs/dbraw/zinc/57/69/32/1195576932.db2.gz CSMDVYUWNCGXSC-LJQANCHMSA-N 1 2 386.496 0.732 20 30 GCEDLO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000025693562 1195577197 /nfs/dbraw/zinc/57/71/97/1195577197.db2.gz CSMDVYUWNCGXSC-IBGZPJMESA-N 1 2 386.496 0.732 20 30 GCEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCNC1=O ZINC000440949669 1195591703 /nfs/dbraw/zinc/59/17/03/1195591703.db2.gz FKONLGWOSQTWSR-ZWKOTPCHSA-N 1 2 387.459 0.745 20 30 GCEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCNC1=O ZINC000440949669 1195591705 /nfs/dbraw/zinc/59/17/05/1195591705.db2.gz FKONLGWOSQTWSR-ZWKOTPCHSA-N 1 2 387.459 0.745 20 30 GCEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCNC1=O ZINC000440949668 1195591939 /nfs/dbraw/zinc/59/19/39/1195591939.db2.gz FKONLGWOSQTWSR-ROUUACIJSA-N 1 2 387.459 0.745 20 30 GCEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCNC1=O ZINC000440949668 1195591942 /nfs/dbraw/zinc/59/19/42/1195591942.db2.gz FKONLGWOSQTWSR-ROUUACIJSA-N 1 2 387.459 0.745 20 30 GCEDLO CCOC1CC(O)(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000328604132 1195656752 /nfs/dbraw/zinc/65/67/52/1195656752.db2.gz IJGGUITXFRAZIA-UHFFFAOYSA-N 1 2 391.472 0.725 20 30 GCEDLO CCOC1CC(CNC(=O)N2CCN(C3CC3)C(=O)C2)([NH+]2CCOCC2)C1 ZINC000328675352 1195658961 /nfs/dbraw/zinc/65/89/61/1195658961.db2.gz QTKBTTWEIXVTKU-UHFFFAOYSA-N 1 2 380.489 0.477 20 30 GCEDLO COCCn1cc(NC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000328763644 1195664183 /nfs/dbraw/zinc/66/41/83/1195664183.db2.gz ZNQMQZKCVNWFLY-UHFFFAOYSA-N 1 2 378.477 0.705 20 30 GCEDLO COCCn1cc(NC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000328763644 1195664187 /nfs/dbraw/zinc/66/41/87/1195664187.db2.gz ZNQMQZKCVNWFLY-UHFFFAOYSA-N 1 2 378.477 0.705 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CCOC2)CC3)CC1 ZINC000328804534 1195665468 /nfs/dbraw/zinc/66/54/68/1195665468.db2.gz CTQVAVSUKRLOOB-HUUCEWRRSA-N 1 2 375.473 0.826 20 30 GCEDLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCOC1 ZINC000328850343 1195670935 /nfs/dbraw/zinc/67/09/35/1195670935.db2.gz UNTSITMRBOEMBK-OAHLLOKOSA-N 1 2 382.486 0.917 20 30 GCEDLO NC(=O)NC[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000328883344 1195673863 /nfs/dbraw/zinc/67/38/63/1195673863.db2.gz XVCONYHRHYWBJA-HNNXBMFYSA-N 1 2 390.492 0.307 20 30 GCEDLO O=C(Nc1cnn(CCN2CCOCC2)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000328897563 1195675241 /nfs/dbraw/zinc/67/52/41/1195675241.db2.gz XLPXVFWDSOEZKX-GOSISDBHSA-N 1 2 392.504 0.557 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000328958781 1195681974 /nfs/dbraw/zinc/68/19/74/1195681974.db2.gz JVZXKIOLSFNWLV-HCXYKTFWSA-N 1 2 378.517 0.541 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000328958781 1195681976 /nfs/dbraw/zinc/68/19/76/1195681976.db2.gz JVZXKIOLSFNWLV-HCXYKTFWSA-N 1 2 378.517 0.541 20 30 GCEDLO C[C@H]([C@H](C)NC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC000330631772 1195701550 /nfs/dbraw/zinc/70/15/50/1195701550.db2.gz GMWDORFEMVOMKM-ARFHVFGLSA-N 1 2 390.550 0.803 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1F ZINC000427953798 1195900828 /nfs/dbraw/zinc/90/08/28/1195900828.db2.gz XCJCTBWIJULHRS-UHFFFAOYSA-N 1 2 390.444 0.960 20 30 GCEDLO N#CCCCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000508160618 1195904090 /nfs/dbraw/zinc/90/40/90/1195904090.db2.gz RZOINRVREFPVNE-UHFFFAOYSA-N 1 2 394.501 0.526 20 30 GCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 ZINC000428071187 1195909739 /nfs/dbraw/zinc/90/97/39/1195909739.db2.gz QRHJASWYQNDARW-INIZCTEOSA-N 1 2 394.497 0.638 20 30 GCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 ZINC000428071187 1195909744 /nfs/dbraw/zinc/90/97/44/1195909744.db2.gz QRHJASWYQNDARW-INIZCTEOSA-N 1 2 394.497 0.638 20 30 GCEDLO N#Cc1ccc(OC[C@@H](O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000025951494 1195937068 /nfs/dbraw/zinc/93/70/68/1195937068.db2.gz IVCBQDGEUSNDIS-IBGZPJMESA-N 1 2 386.496 0.928 20 30 GCEDLO N#Cc1ccc(OC[C@@H](O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000025951494 1195937070 /nfs/dbraw/zinc/93/70/70/1195937070.db2.gz IVCBQDGEUSNDIS-IBGZPJMESA-N 1 2 386.496 0.928 20 30 GCEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000521979306 1196031306 /nfs/dbraw/zinc/03/13/06/1196031306.db2.gz LLKUAPAZEKAEPJ-UHFFFAOYSA-N 1 2 394.497 0.591 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000895917094 1196118033 /nfs/dbraw/zinc/11/80/33/1196118033.db2.gz BUSNBKYHDPDJGE-UHFFFAOYSA-N 1 2 382.486 0.393 20 30 GCEDLO C#CCNc1nc(N[C@@H](C)C(=O)NC(C)C)[nH+]c(N[C@@H](C)C(=O)NC(C)C)n1 ZINC000840383027 1196125003 /nfs/dbraw/zinc/12/50/03/1196125003.db2.gz VORXWLUNOMELPQ-STQMWFEESA-N 1 2 390.492 0.567 20 30 GCEDLO C#CCNc1nc(N[C@@H](C)C(=O)NC(C)C)nc(N[C@@H](C)C(=O)NC(C)C)[nH+]1 ZINC000840383027 1196125006 /nfs/dbraw/zinc/12/50/06/1196125006.db2.gz VORXWLUNOMELPQ-STQMWFEESA-N 1 2 390.492 0.567 20 30 GCEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000329002725 1196155778 /nfs/dbraw/zinc/15/57/78/1196155778.db2.gz XYLJLTYTQOCHBA-HOTGVXAUSA-N 1 2 389.460 0.614 20 30 GCEDLO CNC(=O)c1ccn([C@@H]2CCC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)n1 ZINC000329008629 1196156083 /nfs/dbraw/zinc/15/60/83/1196156083.db2.gz YXCBMIIYMKBQRB-CQSZACIVSA-N 1 2 376.461 0.459 20 30 GCEDLO CNC(=O)c1ccn([C@@H]2CCC[N@@H+](CC(=O)NCC(=O)N3CCCC3)C2)n1 ZINC000329008629 1196156085 /nfs/dbraw/zinc/15/60/85/1196156085.db2.gz YXCBMIIYMKBQRB-CQSZACIVSA-N 1 2 376.461 0.459 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000329019626 1196156635 /nfs/dbraw/zinc/15/66/35/1196156635.db2.gz LLIZPPXZTZLACE-WMZOPIPTSA-N 1 2 396.532 0.707 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000329039702 1196158126 /nfs/dbraw/zinc/15/81/26/1196158126.db2.gz OADWRHBERRWDKF-UKRRQHHQSA-N 1 2 378.477 0.870 20 30 GCEDLO O=C(Cn1cc([NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2)cn1)N1CCOCC1 ZINC000329189834 1196173787 /nfs/dbraw/zinc/17/37/87/1196173787.db2.gz CEWCQEXBYUJZDS-MRXNPFEDSA-N 1 2 387.444 0.649 20 30 GCEDLO C[C@H](NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329232042 1196178456 /nfs/dbraw/zinc/17/84/56/1196178456.db2.gz LBIAZBJXPDOBFQ-SOUVJXGZSA-N 1 2 388.534 0.556 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@]3(O)CCSC3)ccn2)CC1 ZINC000329270164 1196181905 /nfs/dbraw/zinc/18/19/05/1196181905.db2.gz HFILFRBNUCBPPY-QGZVFWFLSA-N 1 2 379.486 0.663 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CC(=O)N(C4CC4)C3)ccn2)CC1 ZINC000329270343 1196181993 /nfs/dbraw/zinc/18/19/93/1196181993.db2.gz HKOKNTBCAQIOFG-AWEZNQCLSA-N 1 2 386.456 0.368 20 30 GCEDLO CNC(=O)[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000329277068 1196182474 /nfs/dbraw/zinc/18/24/74/1196182474.db2.gz CGRVXDZEVDZMDY-OAHLLOKOSA-N 1 2 375.477 0.811 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN(CC(F)F)CC3)ccn2)CC1 ZINC000329306710 1196184244 /nfs/dbraw/zinc/18/42/44/1196184244.db2.gz YVBGXBDGLZGFBX-UHFFFAOYSA-N 1 2 396.442 0.897 20 30 GCEDLO Cn1cncc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000329644976 1196214986 /nfs/dbraw/zinc/21/49/86/1196214986.db2.gz AQZZTSAGHJVAAZ-CQSZACIVSA-N 1 2 385.472 0.571 20 30 GCEDLO CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329725335 1196227368 /nfs/dbraw/zinc/22/73/68/1196227368.db2.gz DLBIPQLVBHFEFL-HZPDHXFCSA-N 1 2 380.489 0.667 20 30 GCEDLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000280961419 1196268797 /nfs/dbraw/zinc/26/87/97/1196268797.db2.gz JRRIGRSMLBGNEI-OAHLLOKOSA-N 1 2 393.513 0.840 20 30 GCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000330362598 1196303201 /nfs/dbraw/zinc/30/32/01/1196303201.db2.gz ZSIBSQGBZLOYJF-KDOFPFPSSA-N 1 2 390.488 0.450 20 30 GCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 ZINC000330362598 1196303206 /nfs/dbraw/zinc/30/32/06/1196303206.db2.gz ZSIBSQGBZLOYJF-KDOFPFPSSA-N 1 2 390.488 0.450 20 30 GCEDLO COc1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1OCCCC#N ZINC000897282483 1196438214 /nfs/dbraw/zinc/43/82/14/1196438214.db2.gz MBJIZYWVZYOKII-HNNXBMFYSA-N 1 2 380.470 0.712 20 30 GCEDLO COc1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1OCCCC#N ZINC000897282483 1196438216 /nfs/dbraw/zinc/43/82/16/1196438216.db2.gz MBJIZYWVZYOKII-HNNXBMFYSA-N 1 2 380.470 0.712 20 30 GCEDLO Cc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1S(=O)(=O)NCC#N ZINC000524578708 1196607867 /nfs/dbraw/zinc/60/78/67/1196607867.db2.gz ZAOXDDUGAVDUPK-UHFFFAOYSA-N 1 2 394.497 0.638 20 30 GCEDLO Cc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1S(=O)(=O)NCC#N ZINC000524578708 1196607868 /nfs/dbraw/zinc/60/78/68/1196607868.db2.gz ZAOXDDUGAVDUPK-UHFFFAOYSA-N 1 2 394.497 0.638 20 30 GCEDLO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)no1 ZINC000022842995 1196764115 /nfs/dbraw/zinc/76/41/15/1196764115.db2.gz RRAYMXRYVSSDTR-KRWDZBQOSA-N 1 2 399.451 0.851 20 30 GCEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000528341640 1196848778 /nfs/dbraw/zinc/84/87/78/1196848778.db2.gz WLZDDKIWOOZDGN-IBGZPJMESA-N 1 2 386.496 0.928 20 30 GCEDLO O=C([C@@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000528368481 1196853956 /nfs/dbraw/zinc/85/39/56/1196853956.db2.gz MOTCPPIGZISWLB-IBGZPJMESA-N 1 2 395.459 0.999 20 30 GCEDLO O=C([C@@H]1CCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O)N1CCOCC1 ZINC000528368481 1196853960 /nfs/dbraw/zinc/85/39/60/1196853960.db2.gz MOTCPPIGZISWLB-IBGZPJMESA-N 1 2 395.459 0.999 20 30 GCEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000528420916 1196859799 /nfs/dbraw/zinc/85/97/99/1196859799.db2.gz MDEPEBUHEROQLQ-QGZVFWFLSA-N 1 2 382.420 0.857 20 30 GCEDLO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCN1C(=O)c1cnn(C)c1 ZINC000528515206 1196865196 /nfs/dbraw/zinc/86/51/96/1196865196.db2.gz FXZZFLRNYCOEFZ-YJBOKZPZSA-N 1 2 383.452 0.878 20 30 GCEDLO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCN1C(=O)c1cnn(C)c1 ZINC000528515206 1196865202 /nfs/dbraw/zinc/86/52/02/1196865202.db2.gz FXZZFLRNYCOEFZ-YJBOKZPZSA-N 1 2 383.452 0.878 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000528735211 1196885084 /nfs/dbraw/zinc/88/50/84/1196885084.db2.gz RAIGEGOCCUPEMN-SFHVURJKSA-N 1 2 383.452 0.334 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000528735211 1196885087 /nfs/dbraw/zinc/88/50/87/1196885087.db2.gz RAIGEGOCCUPEMN-SFHVURJKSA-N 1 2 383.452 0.334 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)[C@H](C)[NH+]3CCOCC3)CC2)c1C#N ZINC000530408310 1196985605 /nfs/dbraw/zinc/98/56/05/1196985605.db2.gz TWSURKOWWYJZJT-ZBFHGGJFSA-N 1 2 389.504 0.541 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC2)c1C#N ZINC000530408124 1196985722 /nfs/dbraw/zinc/98/57/22/1196985722.db2.gz VFRQVLDHRJMPKV-UHFFFAOYSA-N 1 2 389.504 0.543 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC2)c1C#N ZINC000530408124 1196985723 /nfs/dbraw/zinc/98/57/23/1196985723.db2.gz VFRQVLDHRJMPKV-UHFFFAOYSA-N 1 2 389.504 0.543 20 30 GCEDLO N#CCc1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000453616465 1197114657 /nfs/dbraw/zinc/11/46/57/1197114657.db2.gz OGOPCJRGAXQMSK-UHFFFAOYSA-N 1 2 397.479 0.848 20 30 GCEDLO N#CCc1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000453616465 1197114660 /nfs/dbraw/zinc/11/46/60/1197114660.db2.gz OGOPCJRGAXQMSK-UHFFFAOYSA-N 1 2 397.479 0.848 20 30 GCEDLO CN1CCN(S(=O)(=O)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1 ZINC000051768670 1197274658 /nfs/dbraw/zinc/27/46/58/1197274658.db2.gz MGLGHRYJPUHLNH-UHFFFAOYSA-N 1 2 393.513 0.047 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000610805423 1197288500 /nfs/dbraw/zinc/28/85/00/1197288500.db2.gz VLFPCVPRLBFIQJ-CYBMUJFWSA-N 1 2 386.433 0.910 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000455419824 1197461168 /nfs/dbraw/zinc/46/11/68/1197461168.db2.gz UJBQTIYDHLICLC-CVEARBPZSA-N 1 2 388.472 0.488 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000455419824 1197461170 /nfs/dbraw/zinc/46/11/70/1197461170.db2.gz UJBQTIYDHLICLC-CVEARBPZSA-N 1 2 388.472 0.488 20 30 GCEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000105607485 1197471352 /nfs/dbraw/zinc/47/13/52/1197471352.db2.gz IZUVHJSMGGVPAC-APWZRJJASA-N 1 2 383.496 0.788 20 30 GCEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000105607485 1197471354 /nfs/dbraw/zinc/47/13/54/1197471354.db2.gz IZUVHJSMGGVPAC-APWZRJJASA-N 1 2 383.496 0.788 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)NC(=O)C2CCCC2)CC1 ZINC000078678607 1197506453 /nfs/dbraw/zinc/50/64/53/1197506453.db2.gz BLPVXJRLIYFCHZ-INIZCTEOSA-N 1 2 376.501 0.355 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)NC(=O)C2CCCC2)CC1 ZINC000078678607 1197506456 /nfs/dbraw/zinc/50/64/56/1197506456.db2.gz BLPVXJRLIYFCHZ-INIZCTEOSA-N 1 2 376.501 0.355 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C3N=NC(=S)O3)cc2)CC1 ZINC000273456294 1197564687 /nfs/dbraw/zinc/56/46/87/1197564687.db2.gz DNFBCXLHNQINJC-UHFFFAOYSA-N 1 2 399.476 0.923 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C3N=NC(=S)O3)cc2)CC1 ZINC000273456294 1197564690 /nfs/dbraw/zinc/56/46/90/1197564690.db2.gz DNFBCXLHNQINJC-UHFFFAOYSA-N 1 2 399.476 0.923 20 30 GCEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000462295666 1198993535 /nfs/dbraw/zinc/99/35/35/1198993535.db2.gz JSQVNYPEYCSFHP-KRWDZBQOSA-N 1 2 398.444 0.970 20 30 GCEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1=O ZINC000462295666 1198993538 /nfs/dbraw/zinc/99/35/38/1198993538.db2.gz JSQVNYPEYCSFHP-KRWDZBQOSA-N 1 2 398.444 0.970 20 30 GCEDLO Cc1nc(N2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)cc[nH+]1 ZINC000273602009 1199040865 /nfs/dbraw/zinc/04/08/65/1199040865.db2.gz PFULVSLZZPDLQJ-UHFFFAOYSA-N 1 2 396.455 0.896 20 30 GCEDLO Cc1nc(N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)cc[nH+]1 ZINC000273624759 1199046149 /nfs/dbraw/zinc/04/61/49/1199046149.db2.gz VUVVJKHTFIRHGC-UHFFFAOYSA-N 1 2 376.420 0.895 20 30 GCEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273628011 1199046219 /nfs/dbraw/zinc/04/62/19/1199046219.db2.gz WPKMTMQLWQNDBE-UHFFFAOYSA-N 1 2 380.408 0.953 20 30 GCEDLO C=CCSCCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000542842444 1199074279 /nfs/dbraw/zinc/07/42/79/1199074279.db2.gz SEINESHDPADOJX-UHFFFAOYSA-N 1 2 391.497 0.443 20 30 GCEDLO C=CCn1c(-c2cn[nH]c2)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000624848718 1199181571 /nfs/dbraw/zinc/18/15/71/1199181571.db2.gz UONJZZKVXSCKHK-UHFFFAOYSA-N 1 2 391.443 0.858 20 30 GCEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093057437 1199817532 /nfs/dbraw/zinc/81/75/32/1199817532.db2.gz FMGTZRAYNCLEJF-INIZCTEOSA-N 1 2 382.468 0.571 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000124550778 1199847315 /nfs/dbraw/zinc/84/73/15/1199847315.db2.gz KLAHBWVYDOCRMF-UHFFFAOYSA-N 1 2 377.408 0.963 20 30 GCEDLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029860055 1199977179 /nfs/dbraw/zinc/97/71/79/1199977179.db2.gz QNPDXEBVCGESCJ-AWEZNQCLSA-N 1 2 387.459 0.932 20 30 GCEDLO C=C(C)COCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000675602167 1200444966 /nfs/dbraw/zinc/44/49/66/1200444966.db2.gz NGCCPTJTKOVJGU-UHFFFAOYSA-N 1 2 388.468 0.722 20 30 GCEDLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CCC#N)n3)c2)CC1 ZINC000550800408 1200684706 /nfs/dbraw/zinc/68/47/06/1200684706.db2.gz NZDOFDNHJIRZQO-UHFFFAOYSA-N 1 2 395.467 1.121 20 30 GCEDLO N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCNc3cccc[nH+]3)n2)cc1 ZINC000490516311 1200692947 /nfs/dbraw/zinc/69/29/47/1200692947.db2.gz GEFHCYSXOLVSHW-UHFFFAOYSA-N 1 2 390.407 0.760 20 30 GCEDLO CC(C)[C@@H](CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)[NH+]1CCOCC1 ZINC000536973494 1200754243 /nfs/dbraw/zinc/75/42/43/1200754243.db2.gz JVXNESGZHNXARC-OAHLLOKOSA-N 1 2 376.461 0.747 20 30 GCEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000378431799 1200779422 /nfs/dbraw/zinc/77/94/22/1200779422.db2.gz OPCITQDYUXJGAK-HOTGVXAUSA-N 1 2 388.472 1.034 20 30 GCEDLO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)no1 ZINC000528337470 1200843877 /nfs/dbraw/zinc/84/38/77/1200843877.db2.gz BNPDTGRHJRQFSH-KRWDZBQOSA-N 1 2 399.451 0.851 20 30 GCEDLO Cc1cc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)nn1CCC#N ZINC000378516323 1200871172 /nfs/dbraw/zinc/87/11/72/1200871172.db2.gz CVENBNBHJQNAGX-KRWDZBQOSA-N 1 2 378.502 1.435 20 30 GCEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000563259161 1200922051 /nfs/dbraw/zinc/92/20/51/1200922051.db2.gz QJNVQABWJYDVQT-UHFFFAOYSA-N 1 2 382.424 0.973 20 30 GCEDLO COc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000566341716 1200960197 /nfs/dbraw/zinc/96/01/97/1200960197.db2.gz JAWOTGVSGUSEAG-UHFFFAOYSA-N 1 2 398.423 0.673 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000923587902 1201168100 /nfs/dbraw/zinc/16/81/00/1201168100.db2.gz FNFVPAIQPKZRLO-MRXNPFEDSA-N 1 2 396.447 0.709 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000923587902 1201168102 /nfs/dbraw/zinc/16/81/02/1201168102.db2.gz FNFVPAIQPKZRLO-MRXNPFEDSA-N 1 2 396.447 0.709 20 30 GCEDLO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000611359861 1201233770 /nfs/dbraw/zinc/23/37/70/1201233770.db2.gz YOBYDSSMTRNLRM-HNNXBMFYSA-N 1 2 388.472 0.771 20 30 GCEDLO CN(C)S(=O)(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000611518103 1201243165 /nfs/dbraw/zinc/24/31/65/1201243165.db2.gz VSGUTHXFMBTFCQ-UHFFFAOYSA-N 1 2 388.497 0.883 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)c1 ZINC001079883674 1201258789 /nfs/dbraw/zinc/25/87/89/1201258789.db2.gz PFPAJKHIFARANV-SLGAXEFGSA-N 1 2 385.464 0.847 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)c1 ZINC001079883674 1201258795 /nfs/dbraw/zinc/25/87/95/1201258795.db2.gz PFPAJKHIFARANV-SLGAXEFGSA-N 1 2 385.464 0.847 20 30 GCEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973898 1201314784 /nfs/dbraw/zinc/31/47/84/1201314784.db2.gz YGUVVJSLXMJPEG-KMJFJPQNSA-N 1 2 391.493 0.987 20 30 GCEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973898 1201314786 /nfs/dbraw/zinc/31/47/86/1201314786.db2.gz YGUVVJSLXMJPEG-KMJFJPQNSA-N 1 2 391.493 0.987 20 30 GCEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC3)C2)nn1 ZINC001065205112 1201407777 /nfs/dbraw/zinc/40/77/77/1201407777.db2.gz AGBIJCPZNDTDTB-SGTQZHETSA-N 1 2 394.479 0.495 20 30 GCEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC(C)(C)NS(C)(=O)=O)CC1=O ZINC000731689892 1201494424 /nfs/dbraw/zinc/49/44/24/1201494424.db2.gz ZJGPZKOMOAENQC-UHFFFAOYSA-N 1 2 391.497 0.974 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000732049286 1201518270 /nfs/dbraw/zinc/51/82/70/1201518270.db2.gz JVIIFHSHZQQQLB-KRWDZBQOSA-N 1 2 377.466 0.744 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000732049286 1201518272 /nfs/dbraw/zinc/51/82/72/1201518272.db2.gz JVIIFHSHZQQQLB-KRWDZBQOSA-N 1 2 377.466 0.744 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000733150777 1201577178 /nfs/dbraw/zinc/57/71/78/1201577178.db2.gz UJRSHDGEPFHADG-UHFFFAOYSA-N 1 2 382.464 0.859 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000733150777 1201577182 /nfs/dbraw/zinc/57/71/82/1201577182.db2.gz UJRSHDGEPFHADG-UHFFFAOYSA-N 1 2 382.464 0.859 20 30 GCEDLO C=CCOCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001065708627 1201631128 /nfs/dbraw/zinc/63/11/28/1201631128.db2.gz GPSFQWLJRASAJS-UQZKUAJDSA-N 1 2 389.496 0.358 20 30 GCEDLO C#CC[NH+]1CCC(C(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000736180004 1201711173 /nfs/dbraw/zinc/71/11/73/1201711173.db2.gz VBTBFHJAGMWRRU-SFHVURJKSA-N 1 2 375.494 0.943 20 30 GCEDLO C[C@H](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742543335 1201800498 /nfs/dbraw/zinc/80/04/98/1201800498.db2.gz FXRPZGSMNYSPGG-OLZOCXBDSA-N 1 2 375.454 0.905 20 30 GCEDLO C[C@H](CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742609202 1201802927 /nfs/dbraw/zinc/80/29/27/1201802927.db2.gz PJSUQWZWFQFKET-KGLIPLIRSA-N 1 2 394.497 0.341 20 30 GCEDLO C[C@H](CC(=O)NCC[N@H+]1CCO[C@@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742609202 1201802928 /nfs/dbraw/zinc/80/29/28/1201802928.db2.gz PJSUQWZWFQFKET-KGLIPLIRSA-N 1 2 394.497 0.341 20 30 GCEDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746411756 1201919120 /nfs/dbraw/zinc/91/91/20/1201919120.db2.gz NIGPFAKITWYWLQ-HNNXBMFYSA-N 1 2 396.455 0.067 20 30 GCEDLO C=CC[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccncc1 ZINC000746432824 1201920928 /nfs/dbraw/zinc/92/09/28/1201920928.db2.gz MBUTXUHLXBIKBI-GOSISDBHSA-N 1 2 398.467 0.982 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 ZINC000804276396 1201924295 /nfs/dbraw/zinc/92/42/95/1201924295.db2.gz OHCQZCNXRILBSW-AEFFLSMTSA-N 1 2 391.493 0.868 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 ZINC000804276396 1201924298 /nfs/dbraw/zinc/92/42/98/1201924298.db2.gz OHCQZCNXRILBSW-AEFFLSMTSA-N 1 2 391.493 0.868 20 30 GCEDLO C=CCOCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2=O)C1 ZINC001108554963 1201956603 /nfs/dbraw/zinc/95/66/03/1201956603.db2.gz BKWAGMURJQKGQN-RIVXBTQJSA-N 1 2 377.485 0.405 20 30 GCEDLO CC1CC(C#N)(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000767422664 1201973154 /nfs/dbraw/zinc/97/31/54/1201973154.db2.gz IWMOIWIFVSRMQB-UHFFFAOYSA-N 1 2 397.439 0.495 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767579482 1201978324 /nfs/dbraw/zinc/97/83/24/1201978324.db2.gz RSKAGBUOBNPKRA-BMFZPTHFSA-N 1 2 393.465 0.631 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767579482 1201978325 /nfs/dbraw/zinc/97/83/25/1201978325.db2.gz RSKAGBUOBNPKRA-BMFZPTHFSA-N 1 2 393.465 0.631 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC001109167883 1201999731 /nfs/dbraw/zinc/99/97/31/1201999731.db2.gz KHRQKSHQXFGEDQ-SNPRPXQTSA-N 1 2 377.876 0.743 20 30 GCEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)nn(C)c1Cl ZINC001109167883 1201999733 /nfs/dbraw/zinc/99/97/33/1201999733.db2.gz KHRQKSHQXFGEDQ-SNPRPXQTSA-N 1 2 377.876 0.743 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCOCC1)C2 ZINC001109210040 1202004875 /nfs/dbraw/zinc/00/48/75/1202004875.db2.gz ZYCYWIKLAVXPCW-FZKCQIBNSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCOCC1)C2 ZINC001109210040 1202004878 /nfs/dbraw/zinc/00/48/78/1202004878.db2.gz ZYCYWIKLAVXPCW-FZKCQIBNSA-N 1 2 378.473 0.536 20 30 GCEDLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000768206985 1202005726 /nfs/dbraw/zinc/00/57/26/1202005726.db2.gz NSUKFELLGWSQEG-UHFFFAOYSA-N 1 2 376.482 0.875 20 30 GCEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109270359 1202010556 /nfs/dbraw/zinc/01/05/56/1202010556.db2.gz CDSQDRQVNXBTKW-PMPSAXMXSA-N 1 2 378.473 0.230 20 30 GCEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001109270359 1202010558 /nfs/dbraw/zinc/01/05/58/1202010558.db2.gz CDSQDRQVNXBTKW-PMPSAXMXSA-N 1 2 378.473 0.230 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)C2 ZINC001109311414 1202017137 /nfs/dbraw/zinc/01/71/37/1202017137.db2.gz QAADOACKYMKVSY-MQYQWHSLSA-N 1 2 375.477 0.454 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)C2 ZINC001109311414 1202017140 /nfs/dbraw/zinc/01/71/40/1202017140.db2.gz QAADOACKYMKVSY-MQYQWHSLSA-N 1 2 375.477 0.454 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109303914 1202018345 /nfs/dbraw/zinc/01/83/45/1202018345.db2.gz AMIKOBSLDJQTLP-NRKLIOEPSA-N 1 2 390.484 0.677 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109303914 1202018346 /nfs/dbraw/zinc/01/83/46/1202018346.db2.gz AMIKOBSLDJQTLP-NRKLIOEPSA-N 1 2 390.484 0.677 20 30 GCEDLO CCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109315885 1202019349 /nfs/dbraw/zinc/01/93/49/1202019349.db2.gz JPXVLEWAFGWGNR-UGUYLWEFSA-N 1 2 375.473 0.139 20 30 GCEDLO CCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109315885 1202019351 /nfs/dbraw/zinc/01/93/51/1202019351.db2.gz JPXVLEWAFGWGNR-UGUYLWEFSA-N 1 2 375.473 0.139 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C2 ZINC001109361344 1202024961 /nfs/dbraw/zinc/02/49/61/1202024961.db2.gz SWNNLIWTTGAGIA-WCVJEAGWSA-N 1 2 376.501 0.657 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)C2 ZINC001109361344 1202024967 /nfs/dbraw/zinc/02/49/67/1202024967.db2.gz SWNNLIWTTGAGIA-WCVJEAGWSA-N 1 2 376.501 0.657 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsn1)C2 ZINC001109437638 1202050387 /nfs/dbraw/zinc/05/03/87/1202050387.db2.gz FRTWIZJVYBZAOS-XCCSTKFXSA-N 1 2 377.470 0.879 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsn1)C2 ZINC001109437638 1202050391 /nfs/dbraw/zinc/05/03/91/1202050391.db2.gz FRTWIZJVYBZAOS-XCCSTKFXSA-N 1 2 377.470 0.879 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3ccccc3)nn1)C2 ZINC001109481069 1202060078 /nfs/dbraw/zinc/06/00/78/1202060078.db2.gz QSWMLAGWCIAZFS-RYRKJORJSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3ccccc3)nn1)C2 ZINC001109481069 1202060081 /nfs/dbraw/zinc/06/00/81/1202060081.db2.gz QSWMLAGWCIAZFS-RYRKJORJSA-N 1 2 378.436 0.352 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3ccccc3[nH]1)C2 ZINC001109492135 1202065442 /nfs/dbraw/zinc/06/54/42/1202065442.db2.gz JHTHAWIAWBYLOH-COXVUDFISA-N 1 2 380.452 0.857 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nc3ccccc3[nH]1)C2 ZINC001109492135 1202065444 /nfs/dbraw/zinc/06/54/44/1202065444.db2.gz JHTHAWIAWBYLOH-COXVUDFISA-N 1 2 380.452 0.857 20 30 GCEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC ZINC001109563259 1202080948 /nfs/dbraw/zinc/08/09/48/1202080948.db2.gz OCLZDNDEKHACDI-MMMWYMCRSA-N 1 2 380.489 0.782 20 30 GCEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC ZINC001109563259 1202080951 /nfs/dbraw/zinc/08/09/51/1202080951.db2.gz OCLZDNDEKHACDI-MMMWYMCRSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc(C)nn3c1C)C2 ZINC001109578330 1202083527 /nfs/dbraw/zinc/08/35/27/1202083527.db2.gz WTRGRODZJUFHJT-PVAVHDDUSA-N 1 2 382.468 0.983 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc(C)nn3c1C)C2 ZINC001109578330 1202083529 /nfs/dbraw/zinc/08/35/29/1202083529.db2.gz WTRGRODZJUFHJT-PVAVHDDUSA-N 1 2 382.468 0.983 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C2 ZINC001109582047 1202084313 /nfs/dbraw/zinc/08/43/13/1202084313.db2.gz CEEMOYFFRBFKNN-PVAVHDDUSA-N 1 2 382.468 0.848 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C2 ZINC001109582047 1202084314 /nfs/dbraw/zinc/08/43/14/1202084314.db2.gz CEEMOYFFRBFKNN-PVAVHDDUSA-N 1 2 382.468 0.848 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1-c1cnn(C)c1)C2 ZINC001109637963 1202096250 /nfs/dbraw/zinc/09/62/50/1202096250.db2.gz RBHMECQVMBEAJQ-PVAVHDDUSA-N 1 2 381.436 0.765 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1-c1cnn(C)c1)C2 ZINC001109637963 1202096253 /nfs/dbraw/zinc/09/62/53/1202096253.db2.gz RBHMECQVMBEAJQ-PVAVHDDUSA-N 1 2 381.436 0.765 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(=O)c1ccccc1)C2 ZINC001109666289 1202100842 /nfs/dbraw/zinc/10/08/42/1202100842.db2.gz RZSDJUHLTGNOKW-SQNIBIBYSA-N 1 2 382.464 0.230 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(=O)c1ccccc1)C2 ZINC001109666289 1202100843 /nfs/dbraw/zinc/10/08/43/1202100843.db2.gz RZSDJUHLTGNOKW-SQNIBIBYSA-N 1 2 382.464 0.230 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCCC ZINC001109735734 1202115429 /nfs/dbraw/zinc/11/54/29/1202115429.db2.gz UVLXUYYLVVAGFM-NRKLIOEPSA-N 1 2 392.500 0.925 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCCC ZINC001109735734 1202115430 /nfs/dbraw/zinc/11/54/30/1202115430.db2.gz UVLXUYYLVVAGFM-NRKLIOEPSA-N 1 2 392.500 0.925 20 30 GCEDLO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109762126 1202119429 /nfs/dbraw/zinc/11/94/29/1202119429.db2.gz JBZVAAHAZOWIMJ-IEAZIUSSSA-N 1 2 376.482 0.717 20 30 GCEDLO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109762126 1202119430 /nfs/dbraw/zinc/11/94/30/1202119430.db2.gz JBZVAAHAZOWIMJ-IEAZIUSSSA-N 1 2 376.482 0.717 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nn(C)c(C)c1Cl)C2 ZINC001109767728 1202120458 /nfs/dbraw/zinc/12/04/58/1202120458.db2.gz INAONOQIHJFFNT-MQYQWHSLSA-N 1 2 377.876 0.855 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nn(C)c(C)c1Cl)C2 ZINC001109767728 1202120459 /nfs/dbraw/zinc/12/04/59/1202120459.db2.gz INAONOQIHJFFNT-MQYQWHSLSA-N 1 2 377.876 0.855 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnnn1-c1ccccc1)C2 ZINC001109767619 1202120503 /nfs/dbraw/zinc/12/05/03/1202120503.db2.gz CTPARMNKNXUKJE-IKGGRYGDSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnnn1-c1ccccc1)C2 ZINC001109767619 1202120504 /nfs/dbraw/zinc/12/05/04/1202120504.db2.gz CTPARMNKNXUKJE-IKGGRYGDSA-N 1 2 380.452 0.905 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCCOC)C2 ZINC001109790889 1202124655 /nfs/dbraw/zinc/12/46/55/1202124655.db2.gz IOLQUFBVVSGKJY-NCOADZHNSA-N 1 2 380.489 0.522 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCCOC)C2 ZINC001109790889 1202124656 /nfs/dbraw/zinc/12/46/56/1202124656.db2.gz IOLQUFBVVSGKJY-NCOADZHNSA-N 1 2 380.489 0.522 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(C)(=O)=O ZINC001109819609 1202128052 /nfs/dbraw/zinc/12/80/52/1202128052.db2.gz WABSDZDKYBJYRS-XAJHFOFHSA-N 1 2 385.530 0.628 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(C)(=O)=O ZINC001109819609 1202128053 /nfs/dbraw/zinc/12/80/53/1202128053.db2.gz WABSDZDKYBJYRS-XAJHFOFHSA-N 1 2 385.530 0.628 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCO[C@H]1C(=C)C)C2 ZINC001109826718 1202130097 /nfs/dbraw/zinc/13/00/97/1202130097.db2.gz VEMQEKDFQHIXQP-IMPIEMTGSA-N 1 2 390.484 0.701 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCO[C@H]1C(=C)C)C2 ZINC001109826718 1202130098 /nfs/dbraw/zinc/13/00/98/1202130098.db2.gz VEMQEKDFQHIXQP-IMPIEMTGSA-N 1 2 390.484 0.701 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3n[nH]c(C)c31)C2 ZINC001109838509 1202131229 /nfs/dbraw/zinc/13/12/29/1202131229.db2.gz HRUPGFJUSULDLB-KBMXLJTQSA-N 1 2 380.452 0.659 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3n[nH]c(C)c31)C2 ZINC001109838509 1202131230 /nfs/dbraw/zinc/13/12/30/1202131230.db2.gz HRUPGFJUSULDLB-KBMXLJTQSA-N 1 2 380.452 0.659 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnc3)cc1)C2 ZINC001109839807 1202131531 /nfs/dbraw/zinc/13/15/31/1202131531.db2.gz CCXRCIMGRLULNK-SQNIBIBYSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnc3)cc1)C2 ZINC001109839807 1202131533 /nfs/dbraw/zinc/13/15/33/1202131533.db2.gz CCXRCIMGRLULNK-SQNIBIBYSA-N 1 2 380.452 0.905 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cc(OC)ccc13)C2 ZINC001109849262 1202135895 /nfs/dbraw/zinc/13/58/95/1202135895.db2.gz KJKWWKLESXWKRI-SKDZVZGDSA-N 1 2 381.436 0.427 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cc(OC)ccc13)C2 ZINC001109849262 1202135896 /nfs/dbraw/zinc/13/58/96/1202135896.db2.gz KJKWWKLESXWKRI-SKDZVZGDSA-N 1 2 381.436 0.427 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)NC1CCCC1)C2 ZINC001109881189 1202141008 /nfs/dbraw/zinc/14/10/08/1202141008.db2.gz HCBHOTWVBKRYJC-PMPSAXMXSA-N 1 2 375.473 0.187 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)NC1CCCC1)C2 ZINC001109881189 1202141009 /nfs/dbraw/zinc/14/10/09/1202141009.db2.gz HCBHOTWVBKRYJC-PMPSAXMXSA-N 1 2 375.473 0.187 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oncc1C)C2 ZINC001109922491 1202150399 /nfs/dbraw/zinc/15/03/99/1202150399.db2.gz GLYCWABSHXNXFG-MQYQWHSLSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oncc1C)C2 ZINC001109922491 1202150400 /nfs/dbraw/zinc/15/04/00/1202150400.db2.gz GLYCWABSHXNXFG-MQYQWHSLSA-N 1 2 375.429 0.718 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C2 ZINC001109967379 1202164201 /nfs/dbraw/zinc/16/42/01/1202164201.db2.gz BLKSJLWKDDKTOJ-FZKCQIBNSA-N 1 2 376.501 0.398 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)CC(C)(C)C)C2 ZINC001109967379 1202164204 /nfs/dbraw/zinc/16/42/04/1202164204.db2.gz BLKSJLWKDDKTOJ-FZKCQIBNSA-N 1 2 376.501 0.398 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@H]2CCOC2)cn1 ZINC001110001180 1202171462 /nfs/dbraw/zinc/17/14/62/1202171462.db2.gz QGCRDOGWOAGWJA-OAOYMFHYSA-N 1 2 382.464 0.551 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@H]2CCOC2)cn1 ZINC001110001180 1202171465 /nfs/dbraw/zinc/17/14/65/1202171465.db2.gz QGCRDOGWOAGWJA-OAOYMFHYSA-N 1 2 382.464 0.551 20 30 GCEDLO N#Cc1cccnc1NCCNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000787754110 1205399685 /nfs/dbraw/zinc/39/96/85/1205399685.db2.gz KVYOOWVXUNQXKF-UHFFFAOYSA-N 1 2 381.440 0.373 20 30 GCEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000787775341 1205402170 /nfs/dbraw/zinc/40/21/70/1205402170.db2.gz OXASFUYEWCJNCS-HNNXBMFYSA-N 1 2 381.440 0.621 20 30 GCEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cc1 ZINC000746812294 1205440003 /nfs/dbraw/zinc/44/00/03/1205440003.db2.gz ULHQBWDWSNWFJK-OAHLLOKOSA-N 1 2 387.436 0.733 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)C2 ZINC001110090559 1205464438 /nfs/dbraw/zinc/46/44/38/1205464438.db2.gz PGHCQPZQDXNHOC-RANZSIQMSA-N 1 2 382.464 0.793 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)C2 ZINC001110090559 1205464439 /nfs/dbraw/zinc/46/44/39/1205464439.db2.gz PGHCQPZQDXNHOC-RANZSIQMSA-N 1 2 382.464 0.793 20 30 GCEDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)nn1 ZINC000793510976 1205499528 /nfs/dbraw/zinc/49/95/28/1205499528.db2.gz GQURQSMPPROVNI-CQSZACIVSA-N 1 2 382.424 0.881 20 30 GCEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)nn1 ZINC000793510976 1205499529 /nfs/dbraw/zinc/49/95/29/1205499529.db2.gz GQURQSMPPROVNI-CQSZACIVSA-N 1 2 382.424 0.881 20 30 GCEDLO C#CCOCCNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805279063 1205534526 /nfs/dbraw/zinc/53/45/26/1205534526.db2.gz DUBHTQCKGSNXTP-INIZCTEOSA-N 1 2 380.489 0.973 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC#CC)n1 ZINC001130212851 1205536953 /nfs/dbraw/zinc/53/69/53/1205536953.db2.gz HLADONFPKFXSFZ-YVSFHVDLSA-N 1 2 387.484 0.888 20 30 GCEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)n[nH]1 ZINC001130240450 1205539144 /nfs/dbraw/zinc/53/91/44/1205539144.db2.gz OZZYZHBOTIEREO-JONQDZQNSA-N 1 2 383.456 0.053 20 30 GCEDLO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[C@@H](C)O2)n[nH]1 ZINC001130240723 1205539378 /nfs/dbraw/zinc/53/93/78/1205539378.db2.gz ZLTCBOKFQJZHGG-QXSJWSMHSA-N 1 2 391.472 0.100 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC#CC)n1 ZINC001130242403 1205539565 /nfs/dbraw/zinc/53/95/65/1205539565.db2.gz VNBBTSLAACJGED-OVWQWFNUSA-N 1 2 387.484 0.888 20 30 GCEDLO C#CCOCCNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807106643 1205575632 /nfs/dbraw/zinc/57/56/32/1205575632.db2.gz UHIABLVKTHKACU-MRXNPFEDSA-N 1 2 380.489 0.973 20 30 GCEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000807677064 1205587999 /nfs/dbraw/zinc/58/79/99/1205587999.db2.gz RGYJOQJWFOUUFH-KRWDZBQOSA-N 1 2 378.436 0.784 20 30 GCEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000807677064 1205588001 /nfs/dbraw/zinc/58/80/01/1205588001.db2.gz RGYJOQJWFOUUFH-KRWDZBQOSA-N 1 2 378.436 0.784 20 30 GCEDLO C#CCn1cc(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000807941943 1205594985 /nfs/dbraw/zinc/59/49/85/1205594985.db2.gz BAHZXLCLEQBKNI-UHFFFAOYSA-N 1 2 380.452 0.657 20 30 GCEDLO C=CCOCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001131369640 1205608992 /nfs/dbraw/zinc/60/89/92/1205608992.db2.gz QXULHIYFSJTEOO-JENIJYKNSA-N 1 2 379.501 0.655 20 30 GCEDLO C=CCOCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001131369640 1205608993 /nfs/dbraw/zinc/60/89/93/1205608993.db2.gz QXULHIYFSJTEOO-JENIJYKNSA-N 1 2 379.501 0.655 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000810352376 1205636154 /nfs/dbraw/zinc/63/61/54/1205636154.db2.gz OXTISVXJMAMHBW-QGZVFWFLSA-N 1 2 386.471 0.936 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3F)C2)CC1 ZINC000810352376 1205636155 /nfs/dbraw/zinc/63/61/55/1205636155.db2.gz OXTISVXJMAMHBW-QGZVFWFLSA-N 1 2 386.471 0.936 20 30 GCEDLO C#C[C@@H](C)N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000812004418 1205660326 /nfs/dbraw/zinc/66/03/26/1205660326.db2.gz SGPKCTRRHRIQKY-OAHLLOKOSA-N 1 2 379.486 0.197 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)CC1 ZINC000747798440 1205666694 /nfs/dbraw/zinc/66/66/94/1205666694.db2.gz RIBFXYIYFLJFHS-QFIPXVFZSA-N 1 2 394.475 0.885 20 30 GCEDLO N#CCOc1ccc(Nc2[nH+]cnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC001212607223 1205670591 /nfs/dbraw/zinc/67/05/91/1205670591.db2.gz RXFSJPJCPMVPKW-YKTARERQSA-N 1 2 397.391 0.689 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nnc1-c1ccccc1)C2 ZINC001110162832 1205708084 /nfs/dbraw/zinc/70/80/84/1205708084.db2.gz NECLFODRIPMGFP-ILXRZTDVSA-N 1 2 379.424 0.447 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nnc1-c1ccccc1)C2 ZINC001110162832 1205708085 /nfs/dbraw/zinc/70/80/85/1205708085.db2.gz NECLFODRIPMGFP-ILXRZTDVSA-N 1 2 379.424 0.447 20 30 GCEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001175070344 1205734949 /nfs/dbraw/zinc/73/49/49/1205734949.db2.gz RGBNDOOGAUHNAX-UHFFFAOYSA-N 1 2 393.488 0.560 20 30 GCEDLO CN(CCC#N)C(=O)CC[N@H+]1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001175070344 1205734951 /nfs/dbraw/zinc/73/49/51/1205734951.db2.gz RGBNDOOGAUHNAX-UHFFFAOYSA-N 1 2 393.488 0.560 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001110183148 1205736316 /nfs/dbraw/zinc/73/63/16/1205736316.db2.gz LMMLBPCHOUTDJD-OJLVUWQFSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001110183148 1205736318 /nfs/dbraw/zinc/73/63/18/1205736318.db2.gz LMMLBPCHOUTDJD-OJLVUWQFSA-N 1 2 378.473 0.677 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NCC=C ZINC001110183417 1205736416 /nfs/dbraw/zinc/73/64/16/1205736416.db2.gz UCPQDKVJKDQOQH-FZKCQIBNSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NCC=C ZINC001110183417 1205736417 /nfs/dbraw/zinc/73/64/17/1205736417.db2.gz UCPQDKVJKDQOQH-FZKCQIBNSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CCOC(=O)N1CCC(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)CC1 ZINC001176385828 1205746732 /nfs/dbraw/zinc/74/67/32/1205746732.db2.gz XILTZIFRYZFZPV-MRXNPFEDSA-N 1 2 377.445 0.608 20 30 GCEDLO C=CCOC(=O)N1CCC(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)CC1 ZINC001176385828 1205746733 /nfs/dbraw/zinc/74/67/33/1205746733.db2.gz XILTZIFRYZFZPV-MRXNPFEDSA-N 1 2 377.445 0.608 20 30 GCEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2ccc(C#N)cn2)CC1 ZINC001176356603 1205747189 /nfs/dbraw/zinc/74/71/89/1205747189.db2.gz LGNAEHCNHBNJGN-QGZVFWFLSA-N 1 2 381.440 0.462 20 30 GCEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2ccc(C#N)cn2)CC1 ZINC001176356603 1205747191 /nfs/dbraw/zinc/74/71/91/1205747191.db2.gz LGNAEHCNHBNJGN-QGZVFWFLSA-N 1 2 381.440 0.462 20 30 GCEDLO N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)Cc4c[nH+]c[nH]4)C3)OCC2=O)cc1 ZINC001176829295 1205755790 /nfs/dbraw/zinc/75/57/90/1205755790.db2.gz PHUXOMVJWUNJGI-FQEVSTJZSA-N 1 2 395.419 0.485 20 30 GCEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCOCC3(CCCC3)C2)c1=O ZINC000774654425 1205896176 /nfs/dbraw/zinc/89/61/76/1205896176.db2.gz CZOZIBRQSZQORP-UHFFFAOYSA-N 1 2 376.457 0.394 20 30 GCEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCOCC3(CCCC3)C2)c1=O ZINC000774654425 1205896177 /nfs/dbraw/zinc/89/61/77/1205896177.db2.gz CZOZIBRQSZQORP-UHFFFAOYSA-N 1 2 376.457 0.394 20 30 GCEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001183832995 1205901050 /nfs/dbraw/zinc/90/10/50/1205901050.db2.gz ZHMDEGVWBJVZML-RBUKOAKNSA-N 1 2 382.464 0.982 20 30 GCEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001183832995 1205901051 /nfs/dbraw/zinc/90/10/51/1205901051.db2.gz ZHMDEGVWBJVZML-RBUKOAKNSA-N 1 2 382.464 0.982 20 30 GCEDLO C[N@H+](CC(=O)N(O)C(=N)c1nonc1N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183805316 1205901137 /nfs/dbraw/zinc/90/11/37/1205901137.db2.gz MZTSDVNRLZIJCJ-SNVBAGLBSA-N 1 2 397.436 0.526 20 30 GCEDLO C[N@@H+](CC(=O)N(O)C(=N)c1nonc1N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183805316 1205901138 /nfs/dbraw/zinc/90/11/38/1205901138.db2.gz MZTSDVNRLZIJCJ-SNVBAGLBSA-N 1 2 397.436 0.526 20 30 GCEDLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CN(CCC#N)C(=O)OC(C)(C)C ZINC001184861880 1205914359 /nfs/dbraw/zinc/91/43/59/1205914359.db2.gz PVEDVTDKHVYMFT-AWEZNQCLSA-N 1 2 393.444 0.771 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@H]2C(=O)N[C@H](C#N)C(N)=O)C1 ZINC001186850971 1205949479 /nfs/dbraw/zinc/94/94/79/1205949479.db2.gz YFFLCELAOKHPTO-MJBXVCDLSA-N 1 2 379.461 0.344 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@H]2C(=O)N[C@H](C#N)C(N)=O)C1 ZINC001186850971 1205949480 /nfs/dbraw/zinc/94/94/80/1205949480.db2.gz YFFLCELAOKHPTO-MJBXVCDLSA-N 1 2 379.461 0.344 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC001110389566 1205954864 /nfs/dbraw/zinc/95/48/64/1205954864.db2.gz YGMFXIYJOZLHLV-YJNKXOJESA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC001110389566 1205954865 /nfs/dbraw/zinc/95/48/65/1205954865.db2.gz YGMFXIYJOZLHLV-YJNKXOJESA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOCC=C)C2 ZINC001110424733 1206030155 /nfs/dbraw/zinc/03/01/55/1206030155.db2.gz XBYJSGDCYIJSLO-OAGGEKHMSA-N 1 2 378.473 0.703 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOCC=C)C2 ZINC001110424733 1206030159 /nfs/dbraw/zinc/03/01/59/1206030159.db2.gz XBYJSGDCYIJSLO-OAGGEKHMSA-N 1 2 378.473 0.703 20 30 GCEDLO Cc1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1C#N ZINC001164708651 719906647 /nfs/dbraw/zinc/90/66/47/719906647.db2.gz FEAXXAVPTKKUCL-UHFFFAOYSA-N 1 2 379.468 0.946 20 30 GCEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(C#N)cc1C#N)CC2 ZINC001164704209 720048139 /nfs/dbraw/zinc/04/81/39/720048139.db2.gz PTANUDHMIZHRIX-UHFFFAOYSA-N 1 2 390.451 0.509 20 30 GCEDLO CCc1nc(C#N)c(C#N)nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164722878 720304880 /nfs/dbraw/zinc/30/48/80/720304880.db2.gz MUBNAJZOAIUZAF-FQEVSTJZSA-N 1 2 397.483 0.447 20 30 GCEDLO CCc1nc(C#N)c(C#N)nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164722878 720304884 /nfs/dbraw/zinc/30/48/84/720304884.db2.gz MUBNAJZOAIUZAF-FQEVSTJZSA-N 1 2 397.483 0.447 20 30 GCEDLO Cc1nc(C#N)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829162 720466708 /nfs/dbraw/zinc/46/67/08/720466708.db2.gz CVBSZFVQQFDAKN-INIZCTEOSA-N 1 2 397.483 0.843 20 30 GCEDLO Cc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(C#N)n1 ZINC001164832681 720467967 /nfs/dbraw/zinc/46/79/67/720467967.db2.gz VNTGLNUUZIMRLK-INIZCTEOSA-N 1 2 397.483 0.843 20 30 GCEDLO N#CCCN(CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CC[NH+]1CCOCC1 ZINC000822811106 946195296 /nfs/dbraw/zinc/19/52/96/946195296.db2.gz SKCNXMCXCYFQDR-UHFFFAOYSA-N 1 2 398.471 0.743 20 30 GCEDLO N#CCC[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CCN1CCOCC1 ZINC000822811106 946195298 /nfs/dbraw/zinc/19/52/98/946195298.db2.gz SKCNXMCXCYFQDR-UHFFFAOYSA-N 1 2 398.471 0.743 20 30 GCEDLO N#CCC[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CCN1CCOCC1 ZINC000822811106 946195302 /nfs/dbraw/zinc/19/53/02/946195302.db2.gz SKCNXMCXCYFQDR-UHFFFAOYSA-N 1 2 398.471 0.743 20 30 GCEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CCO2)c[nH]1 ZINC001571309873 946455558 /nfs/dbraw/zinc/45/55/58/946455558.db2.gz NRIDTAMMWJHEDO-KRWDZBQOSA-N 1 2 392.423 0.697 20 30 GCEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CCO2)c[nH]1 ZINC001571309873 946455569 /nfs/dbraw/zinc/45/55/69/946455569.db2.gz NRIDTAMMWJHEDO-KRWDZBQOSA-N 1 2 392.423 0.697 20 30 GCEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC001573285748 946786894 /nfs/dbraw/zinc/78/68/94/946786894.db2.gz MUZGSDZKCWNWGK-UHFFFAOYSA-N 1 2 381.444 0.978 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001573291156 946914460 /nfs/dbraw/zinc/91/44/60/946914460.db2.gz XWRYEUWWMVLENO-UHFFFAOYSA-N 1 2 392.423 0.476 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC001573291156 946914465 /nfs/dbraw/zinc/91/44/65/946914465.db2.gz XWRYEUWWMVLENO-UHFFFAOYSA-N 1 2 392.423 0.476 20 30 GCEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573291806 946924396 /nfs/dbraw/zinc/92/43/96/946924396.db2.gz JCYKYLHXFYTXDA-GDGBQDQQSA-N 1 2 378.234 0.763 20 30 GCEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573291806 946924406 /nfs/dbraw/zinc/92/44/06/946924406.db2.gz JCYKYLHXFYTXDA-GDGBQDQQSA-N 1 2 378.234 0.763 20 30 GCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)O1 ZINC001573577140 947161801 /nfs/dbraw/zinc/16/18/01/947161801.db2.gz MQEZXLWILPOWJB-CZUORRHYSA-N 1 2 381.440 0.876 20 30 GCEDLO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC001573584883 947238894 /nfs/dbraw/zinc/23/88/94/947238894.db2.gz HDYATSVBOKRXIE-GFCCVEGCSA-N 1 2 392.427 0.291 20 30 GCEDLO CC#CC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[nH]n3)c1)c1nccn12 ZINC001573358311 947661949 /nfs/dbraw/zinc/66/19/49/947661949.db2.gz IHVBOXNMAUWXLZ-AWEZNQCLSA-N 1 2 377.412 0.300 20 30 GCEDLO CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000572856108 530127503 /nfs/dbraw/zinc/12/75/03/530127503.db2.gz YEZQXDDVHDKPEI-UHFFFAOYSA-N 1 2 386.499 0.157 20 30 GCEDLO CCN(CCC#N)S(=O)(=O)N(CC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000409553162 530229957 /nfs/dbraw/zinc/22/99/57/530229957.db2.gz NFXMNXZXKZAQQP-HNNXBMFYSA-N 1 2 394.563 0.298 20 30 GCEDLO C[C@@H]1C[NH+]=C(N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)S1 ZINC000289905560 530296659 /nfs/dbraw/zinc/29/66/59/530296659.db2.gz NCUKHNCIFJXBTP-CYBMUJFWSA-N 1 2 379.511 0.836 20 30 GCEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000570455135 530320139 /nfs/dbraw/zinc/32/01/39/530320139.db2.gz MYUUWXRDACFVDN-HNNXBMFYSA-N 1 2 386.499 0.343 20 30 GCEDLO C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000580212360 530343848 /nfs/dbraw/zinc/34/38/48/530343848.db2.gz IZBRVMDGVGSRSM-LLVKDONJSA-N 1 2 383.455 0.991 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccc(Cl)c(C#N)n3)CC2)CC1 ZINC000264536001 530371631 /nfs/dbraw/zinc/37/16/31/530371631.db2.gz NQFAMJCUOXFLMG-UHFFFAOYSA-N 1 2 384.893 0.221 20 30 GCEDLO N#C[C@H]1CN(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCO1 ZINC000601516704 530478262 /nfs/dbraw/zinc/47/82/62/530478262.db2.gz UCDUAAIKIRGGOU-AWEZNQCLSA-N 1 2 383.499 0.194 20 30 GCEDLO N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000572572564 530517940 /nfs/dbraw/zinc/51/79/40/530517940.db2.gz HNJZEIKXPOTEEO-LBPRGKRZSA-N 1 2 379.258 0.816 20 30 GCEDLO N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000572572563 530518050 /nfs/dbraw/zinc/51/80/50/530518050.db2.gz HNJZEIKXPOTEEO-GFCCVEGCSA-N 1 2 379.258 0.816 20 30 GCEDLO O=C(C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1)NCC#CCO ZINC000412323668 530529963 /nfs/dbraw/zinc/52/99/63/530529963.db2.gz KLRSDXRVTYJZGI-UHFFFAOYSA-N 1 2 398.276 0.818 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncccc2Br)CC1 ZINC000193169371 530562052 /nfs/dbraw/zinc/56/20/52/530562052.db2.gz HNRMOTYHGDBDRB-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncccc2Br)CC1 ZINC000193169371 530562056 /nfs/dbraw/zinc/56/20/56/530562056.db2.gz HNRMOTYHGDBDRB-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(Br)n2)CC1 ZINC000136942189 530565088 /nfs/dbraw/zinc/56/50/88/530565088.db2.gz YDCHZBVHSRNFGI-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(Br)n2)CC1 ZINC000136942189 530565091 /nfs/dbraw/zinc/56/50/91/530565091.db2.gz YDCHZBVHSRNFGI-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c(C#N)c1C ZINC000267378668 530576052 /nfs/dbraw/zinc/57/60/52/530576052.db2.gz MBCPZASCULPAJZ-LBPRGKRZSA-N 1 2 385.515 0.680 20 30 GCEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c(C#N)c1C ZINC000267378668 530576053 /nfs/dbraw/zinc/57/60/53/530576053.db2.gz MBCPZASCULPAJZ-LBPRGKRZSA-N 1 2 385.515 0.680 20 30 GCEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267598167 530586774 /nfs/dbraw/zinc/58/67/74/530586774.db2.gz KYSROYVBODWZEU-OCCSQVGLSA-N 1 2 382.511 0.986 20 30 GCEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000267598167 530586777 /nfs/dbraw/zinc/58/67/77/530586777.db2.gz KYSROYVBODWZEU-OCCSQVGLSA-N 1 2 382.511 0.986 20 30 GCEDLO C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000349465428 530642328 /nfs/dbraw/zinc/64/23/28/530642328.db2.gz DLAOPLCVPBVSEU-ZDUSSCGKSA-N 1 2 386.499 0.155 20 30 GCEDLO CC[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)CC1 ZINC000349539131 530681135 /nfs/dbraw/zinc/68/11/35/530681135.db2.gz PXBRXSMLRQNFKW-UHFFFAOYSA-N 1 2 392.547 0.052 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000349539310 530681306 /nfs/dbraw/zinc/68/13/06/530681306.db2.gz VUGAIVMHUXCKSU-UPJWGTAASA-N 1 2 389.503 0.372 20 30 GCEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 ZINC000579024979 530738136 /nfs/dbraw/zinc/73/81/36/530738136.db2.gz UMQXDGULPHLDPO-UHFFFAOYSA-N 1 2 386.499 0.203 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3snc(Cl)c3C#N)CC2)CC1 ZINC000298721111 530815455 /nfs/dbraw/zinc/81/54/55/530815455.db2.gz KKMNOKAMHHTUSG-UHFFFAOYSA-N 1 2 390.922 0.282 20 30 GCEDLO N#Cc1ccsc1NC(=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000511995403 530820831 /nfs/dbraw/zinc/82/08/31/530820831.db2.gz RUNVRJCQSVWKLX-INIZCTEOSA-N 1 2 380.495 0.882 20 30 GCEDLO N#C[C@]1(F)CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349617095 530912207 /nfs/dbraw/zinc/91/22/07/530912207.db2.gz MRNFWZPWVKMMTD-CQSZACIVSA-N 1 2 390.462 0.293 20 30 GCEDLO Cc1sc(NC(=O)CN2CC[NH+](CCS(N)(=O)=O)CC2)c(C#N)c1C ZINC000331292889 530919123 /nfs/dbraw/zinc/91/91/23/530919123.db2.gz LKLCNGADNBVYJP-UHFFFAOYSA-N 1 2 385.515 0.081 20 30 GCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000269361410 531005701 /nfs/dbraw/zinc/00/57/01/531005701.db2.gz VVAATCPOYAOAGU-UHFFFAOYSA-N 1 2 389.474 0.527 20 30 GCEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000276929020 531008726 /nfs/dbraw/zinc/00/87/26/531008726.db2.gz IKTLPIMXIFZMNR-UHFFFAOYSA-N 1 2 385.873 0.864 20 30 GCEDLO C#CC[N@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000276929020 531008731 /nfs/dbraw/zinc/00/87/31/531008731.db2.gz IKTLPIMXIFZMNR-UHFFFAOYSA-N 1 2 385.873 0.864 20 30 GCEDLO Cn1cc(I)c(CNC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC000515166630 531086560 /nfs/dbraw/zinc/08/65/60/531086560.db2.gz XVSZNHPPHDZHKE-SNVBAGLBSA-N 1 2 377.230 0.321 20 30 GCEDLO Cn1cc(I)c(CNC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC000515166630 531086562 /nfs/dbraw/zinc/08/65/62/531086562.db2.gz XVSZNHPPHDZHKE-SNVBAGLBSA-N 1 2 377.230 0.321 20 30 GCEDLO CN(CCC#N)C[C@H](O)C[NH2+]Cc1nn(C)cc1I ZINC000515166630 531086565 /nfs/dbraw/zinc/08/65/65/531086565.db2.gz XVSZNHPPHDZHKE-SNVBAGLBSA-N 1 2 377.230 0.321 20 30 GCEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736514262 598251129 /nfs/dbraw/zinc/25/11/29/598251129.db2.gz WZXYMPRJHPUHSH-OAHLLOKOSA-N 1 2 382.472 0.997 20 30 GCEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736514261 598251241 /nfs/dbraw/zinc/25/12/41/598251241.db2.gz WZXYMPRJHPUHSH-HNNXBMFYSA-N 1 2 382.472 0.997 20 30 GCEDLO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)s1 ZINC000823953905 608091676 /nfs/dbraw/zinc/09/16/76/608091676.db2.gz VCBPJFYODFTGRZ-UHFFFAOYSA-N 1 2 394.530 0.839 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000895917399 639033984 /nfs/dbraw/zinc/03/39/84/639033984.db2.gz FRCCYPFRAXDUFW-UHFFFAOYSA-N 1 2 388.287 0.740 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000761027924 640585845 /nfs/dbraw/zinc/58/58/45/640585845.db2.gz CBACJDAYFITQNS-HNNXBMFYSA-N 1 2 387.889 0.165 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000761031670 640586333 /nfs/dbraw/zinc/58/63/33/640586333.db2.gz TWPPLXIPNPIWRU-CQSZACIVSA-N 1 2 387.889 0.165 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000792264485 641448345 /nfs/dbraw/zinc/44/83/45/641448345.db2.gz PFVBUGDIGLOYKW-UHFFFAOYSA-N 1 2 375.853 0.943 20 30 GCEDLO N#C[C@@]12CN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C[C@@H]1CS(=O)(=O)C2 ZINC000885312011 641804017 /nfs/dbraw/zinc/80/40/17/641804017.db2.gz ZNGOICNAYLHNIG-MDZLAQPJSA-N 1 2 376.360 0.773 20 30 GCEDLO N#Cc1ccc(OCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1Br ZINC000825471800 642050253 /nfs/dbraw/zinc/05/02/53/642050253.db2.gz CADMIEMIDGDQBS-UHFFFAOYSA-N 1 2 395.257 0.719 20 30 GCEDLO N#Cc1ccc(OCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1Br ZINC000825471800 642050260 /nfs/dbraw/zinc/05/02/60/642050260.db2.gz CADMIEMIDGDQBS-UHFFFAOYSA-N 1 2 395.257 0.719 20 30 GCEDLO N#Cc1sc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1Cl ZINC001041421375 642075029 /nfs/dbraw/zinc/07/50/29/642075029.db2.gz LMRBNGSRUUCDSM-YJFSRANCSA-N 1 2 378.845 0.861 20 30 GCEDLO N#Cc1sc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1Cl ZINC001041421375 642075039 /nfs/dbraw/zinc/07/50/39/642075039.db2.gz LMRBNGSRUUCDSM-YJFSRANCSA-N 1 2 378.845 0.861 20 30 GCEDLO N#Cc1nc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H](O)C2)sc1Cl ZINC001044749827 642075879 /nfs/dbraw/zinc/07/58/79/642075879.db2.gz VVVHTEGXMIIHPJ-VNOQCFOKSA-N 1 2 378.845 0.861 20 30 GCEDLO N#Cc1nc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H](O)C2)sc1Cl ZINC001044749827 642075882 /nfs/dbraw/zinc/07/58/82/642075882.db2.gz VVVHTEGXMIIHPJ-VNOQCFOKSA-N 1 2 378.845 0.861 20 30 GCEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000278889975 1192331887 /nfs/dbraw/zinc/33/18/87/1192331887.db2.gz OCDQGSHHLYBNAK-KRWDZBQOSA-N 1 2 376.482 0.674 20 30 GCEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000278889975 1192331893 /nfs/dbraw/zinc/33/18/93/1192331893.db2.gz OCDQGSHHLYBNAK-KRWDZBQOSA-N 1 2 376.482 0.674 20 30 GCEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000609485221 1192378675 /nfs/dbraw/zinc/37/86/75/1192378675.db2.gz LIDGEXCYPCPGRE-ROUUACIJSA-N 1 2 385.516 0.679 20 30 GCEDLO Cn1ccnc1[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C(C)(C)CO ZINC000569845279 1192402458 /nfs/dbraw/zinc/40/24/58/1192402458.db2.gz GFPUMSHJSFRJAS-OAHLLOKOSA-N 1 2 377.470 0.810 20 30 GCEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000279039188 1192444189 /nfs/dbraw/zinc/44/41/89/1192444189.db2.gz BJCBLYYLWPXJNS-OAHLLOKOSA-N 1 2 379.482 0.391 20 30 GCEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000279272166 1192497129 /nfs/dbraw/zinc/49/71/29/1192497129.db2.gz JNXNCKGWKPSIRA-UHFFFAOYSA-N 1 2 393.509 0.781 20 30 GCEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000279272166 1192497131 /nfs/dbraw/zinc/49/71/31/1192497131.db2.gz JNXNCKGWKPSIRA-UHFFFAOYSA-N 1 2 393.509 0.781 20 30 GCEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000279370858 1192532423 /nfs/dbraw/zinc/53/24/23/1192532423.db2.gz SQBRNVVLMJBAEI-HNNXBMFYSA-N 1 2 381.498 0.944 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000279382234 1192533701 /nfs/dbraw/zinc/53/37/01/1192533701.db2.gz UJDKPPMDEFMBCS-CABCVRRESA-N 1 2 394.497 0.404 20 30 GCEDLO CC(=O)N1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C(C)(C)C1 ZINC000182218741 1192861018 /nfs/dbraw/zinc/86/10/18/1192861018.db2.gz ZZGCEMSZJKICFL-UHFFFAOYSA-N 1 2 388.472 0.446 20 30 GCEDLO CC(=O)N1CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C(C)(C)C1 ZINC000182218741 1192861029 /nfs/dbraw/zinc/86/10/29/1192861029.db2.gz ZZGCEMSZJKICFL-UHFFFAOYSA-N 1 2 388.472 0.446 20 30 GCEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1=O ZINC000410884759 1192913121 /nfs/dbraw/zinc/91/31/21/1192913121.db2.gz SXDOZUDFNXRMOQ-INIZCTEOSA-N 1 2 388.468 0.911 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000784914626 1184152328 /nfs/dbraw/zinc/15/23/28/1184152328.db2.gz PGYCLTBBAIZPAS-KGLIPLIRSA-N 1 2 381.454 0.489 20 30 GCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)CC2)cc1 ZINC000068384231 1184251341 /nfs/dbraw/zinc/25/13/41/1184251341.db2.gz OLJPVCRIDYZZKY-UHFFFAOYSA-N 1 2 395.463 0.971 20 30 GCEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000154162820 1184304041 /nfs/dbraw/zinc/30/40/41/1184304041.db2.gz XPKNFLAVTWWGMX-OAHLLOKOSA-N 1 2 382.468 0.801 20 30 GCEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000154162693 1184304170 /nfs/dbraw/zinc/30/41/70/1184304170.db2.gz XPKNFLAVTWWGMX-HNNXBMFYSA-N 1 2 382.468 0.801 20 30 GCEDLO C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000155365763 1184633050 /nfs/dbraw/zinc/63/30/50/1184633050.db2.gz ZYMRVJHWSASJLE-KBPBESRZSA-N 1 2 375.454 0.874 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1 ZINC000275554579 1184709354 /nfs/dbraw/zinc/70/93/54/1184709354.db2.gz GZMYEEXQSVNDEJ-LPHOPBHVSA-N 1 2 387.484 0.090 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)CC1 ZINC000275554579 1184709362 /nfs/dbraw/zinc/70/93/62/1184709362.db2.gz GZMYEEXQSVNDEJ-LPHOPBHVSA-N 1 2 387.484 0.090 20 30 GCEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000298114062 1184787202 /nfs/dbraw/zinc/78/72/02/1184787202.db2.gz XYGMXPFQCDKSIT-UHFFFAOYSA-N 1 2 379.482 0.439 20 30 GCEDLO N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1Cl ZINC000547976846 1184851207 /nfs/dbraw/zinc/85/12/07/1184851207.db2.gz YMCVFSNMQDLOKX-OAHLLOKOSA-N 1 2 376.844 0.875 20 30 GCEDLO C#CC1(F)CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)C1 ZINC000891168891 1185004834 /nfs/dbraw/zinc/00/48/34/1185004834.db2.gz FTZNEQRNQGSTKV-UHFFFAOYSA-N 1 2 386.427 0.473 20 30 GCEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000275912579 1185268861 /nfs/dbraw/zinc/26/88/61/1185268861.db2.gz BMDQBLAFYRQPSK-ZDUSSCGKSA-N 1 2 380.832 0.302 20 30 GCEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000275940421 1185326949 /nfs/dbraw/zinc/32/69/49/1185326949.db2.gz PCSVVGGOHUJMNF-OAHLLOKOSA-N 1 2 387.436 0.733 20 30 GCEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000275940421 1185326954 /nfs/dbraw/zinc/32/69/54/1185326954.db2.gz PCSVVGGOHUJMNF-OAHLLOKOSA-N 1 2 387.436 0.733 20 30 GCEDLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@H](C)C1 ZINC000275942192 1185329106 /nfs/dbraw/zinc/32/91/06/1185329106.db2.gz PNINUDFYVCGPEU-CQSZACIVSA-N 1 2 384.436 0.543 20 30 GCEDLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@H](C)C1 ZINC000275942192 1185329112 /nfs/dbraw/zinc/32/91/12/1185329112.db2.gz PNINUDFYVCGPEU-CQSZACIVSA-N 1 2 384.436 0.543 20 30 GCEDLO C=C(C)CS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000276514518 1185856717 /nfs/dbraw/zinc/85/67/17/1185856717.db2.gz FJGXBWUYFXOXCZ-HNNXBMFYSA-N 1 2 381.502 0.778 20 30 GCEDLO C=C(C)CS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000276514518 1185856720 /nfs/dbraw/zinc/85/67/20/1185856720.db2.gz FJGXBWUYFXOXCZ-HNNXBMFYSA-N 1 2 381.502 0.778 20 30 GCEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C(C)(C)C#N)C2 ZINC001143398260 1185912332 /nfs/dbraw/zinc/91/23/32/1185912332.db2.gz GBIYFNSBQDFAKQ-OAHLLOKOSA-N 1 2 375.473 0.744 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)C1 ZINC000891604425 1185938133 /nfs/dbraw/zinc/93/81/33/1185938133.db2.gz XZYWLPJHQIHQMZ-OXQOHEQNSA-N 1 2 384.436 0.794 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)C1 ZINC000891604425 1185938136 /nfs/dbraw/zinc/93/81/36/1185938136.db2.gz XZYWLPJHQIHQMZ-OXQOHEQNSA-N 1 2 384.436 0.794 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000891605771 1185939390 /nfs/dbraw/zinc/93/93/90/1185939390.db2.gz HWQZTIJMPNTNCI-ZDUSSCGKSA-N 1 2 399.419 0.835 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000891605771 1185939392 /nfs/dbraw/zinc/93/93/92/1185939392.db2.gz HWQZTIJMPNTNCI-ZDUSSCGKSA-N 1 2 399.419 0.835 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC(=O)NCC)c2)C1 ZINC000891605853 1185940410 /nfs/dbraw/zinc/94/04/10/1185940410.db2.gz AKNAIXSSWBVGPN-MRXNPFEDSA-N 1 2 386.452 0.354 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC(=O)NCC)c2)C1 ZINC000891605853 1185940415 /nfs/dbraw/zinc/94/04/15/1185940415.db2.gz AKNAIXSSWBVGPN-MRXNPFEDSA-N 1 2 386.452 0.354 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000891608736 1185941931 /nfs/dbraw/zinc/94/19/31/1185941931.db2.gz YBVPDZKHQKFTHO-MRXNPFEDSA-N 1 2 386.452 0.306 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000891608736 1185941936 /nfs/dbraw/zinc/94/19/36/1185941936.db2.gz YBVPDZKHQKFTHO-MRXNPFEDSA-N 1 2 386.452 0.306 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000891608410 1185942248 /nfs/dbraw/zinc/94/22/48/1185942248.db2.gz WFEAGPIMZPLDKW-HNNXBMFYSA-N 1 2 393.447 0.495 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000891608410 1185942253 /nfs/dbraw/zinc/94/22/53/1185942253.db2.gz WFEAGPIMZPLDKW-HNNXBMFYSA-N 1 2 393.447 0.495 20 30 GCEDLO C#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000277001320 1186221819 /nfs/dbraw/zinc/22/18/19/1186221819.db2.gz OMZSWNDYAKIJKO-UHFFFAOYSA-N 1 2 395.481 0.102 20 30 GCEDLO C#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000277001320 1186221826 /nfs/dbraw/zinc/22/18/26/1186221826.db2.gz OMZSWNDYAKIJKO-UHFFFAOYSA-N 1 2 395.481 0.102 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)CC1 ZINC000152107294 1186402461 /nfs/dbraw/zinc/40/24/61/1186402461.db2.gz FHBYBYRIVCLQHR-SFHVURJKSA-N 1 2 390.528 0.697 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)CC1 ZINC000152107294 1186402465 /nfs/dbraw/zinc/40/24/65/1186402465.db2.gz FHBYBYRIVCLQHR-SFHVURJKSA-N 1 2 390.528 0.697 20 30 GCEDLO C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)C[C@H]32)nn1 ZINC000972221766 1186553532 /nfs/dbraw/zinc/55/35/32/1186553532.db2.gz HNBOPNZFOHUYAE-VMUDFCTBSA-N 1 2 381.440 0.664 20 30 GCEDLO C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)C[C@H]32)nn1 ZINC000972221766 1186553534 /nfs/dbraw/zinc/55/35/34/1186553534.db2.gz HNBOPNZFOHUYAE-VMUDFCTBSA-N 1 2 381.440 0.664 20 30 GCEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)c1 ZINC000277963791 1186724563 /nfs/dbraw/zinc/72/45/63/1186724563.db2.gz YLHDUXVFGFSKCZ-UHFFFAOYSA-N 1 2 378.436 0.811 20 30 GCEDLO C#Cc1cccc(NC(=O)CN(C)c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)c1 ZINC000277963791 1186724567 /nfs/dbraw/zinc/72/45/67/1186724567.db2.gz YLHDUXVFGFSKCZ-UHFFFAOYSA-N 1 2 378.436 0.811 20 30 GCEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)[C@@H]2C1 ZINC000246198907 1186912855 /nfs/dbraw/zinc/91/28/55/1186912855.db2.gz XPKSQCJBKNKMFW-MKXGPGLRSA-N 1 2 378.517 0.947 20 30 GCEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)[C@@H]2C1 ZINC000246198907 1186912859 /nfs/dbraw/zinc/91/28/59/1186912859.db2.gz XPKSQCJBKNKMFW-MKXGPGLRSA-N 1 2 378.517 0.947 20 30 GCEDLO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCn4c[nH+]cc4C3)n2)c(Cl)c1 ZINC000583664815 1186914033 /nfs/dbraw/zinc/91/40/33/1186914033.db2.gz QXVFLOSUJCXVRI-UHFFFAOYSA-N 1 2 395.810 1.575 20 30 GCEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000728572540 1186916307 /nfs/dbraw/zinc/91/63/07/1186916307.db2.gz JEYWVDDXKSVOIZ-HXUWFJFHSA-N 1 2 381.476 0.947 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCN2C(=O)CCc3ccccc32)CC1 ZINC000159068108 1187009304 /nfs/dbraw/zinc/00/93/04/1187009304.db2.gz AELVNJOLNOGPEO-UHFFFAOYSA-N 1 2 396.491 0.640 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCN2C(=O)CCc3ccccc32)CC1 ZINC000159068108 1187009310 /nfs/dbraw/zinc/00/93/10/1187009310.db2.gz AELVNJOLNOGPEO-UHFFFAOYSA-N 1 2 396.491 0.640 20 30 GCEDLO CN(CC(=O)Nc1c[nH+]ccc1-n1ccnn1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000573165101 1187022996 /nfs/dbraw/zinc/02/29/96/1187022996.db2.gz QLSNRRPLDJMZLX-UHFFFAOYSA-N 1 2 397.420 0.793 20 30 GCEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCN2CCCS2(=O)=O)CC1=O ZINC000139595322 1187119694 /nfs/dbraw/zinc/11/96/94/1187119694.db2.gz IWIABDVNNWULOX-UHFFFAOYSA-N 1 2 389.481 0.682 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1O ZINC001023958536 1187192831 /nfs/dbraw/zinc/19/28/31/1187192831.db2.gz OXEKJUVNSJGNHB-TUVASFSCSA-N 1 2 376.457 0.356 20 30 GCEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000365377866 1187525144 /nfs/dbraw/zinc/52/51/44/1187525144.db2.gz BUFWLAVYAQGPCV-UHFFFAOYSA-N 1 2 395.467 0.610 20 30 GCEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000365377866 1187525148 /nfs/dbraw/zinc/52/51/48/1187525148.db2.gz BUFWLAVYAQGPCV-UHFFFAOYSA-N 1 2 395.467 0.610 20 30 GCEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000584502675 1187600587 /nfs/dbraw/zinc/60/05/87/1187600587.db2.gz PXYUUKXRESDGPB-UHFFFAOYSA-N 1 2 388.453 0.508 20 30 GCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000414106180 1187717766 /nfs/dbraw/zinc/71/77/66/1187717766.db2.gz HWWBCLUKIKONSK-YOEHRIQHSA-N 1 2 375.385 0.568 20 30 GCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000414106180 1187717770 /nfs/dbraw/zinc/71/77/70/1187717770.db2.gz HWWBCLUKIKONSK-YOEHRIQHSA-N 1 2 375.385 0.568 20 30 GCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000414108595 1187718248 /nfs/dbraw/zinc/71/82/48/1187718248.db2.gz MBVQPMQXUREHHK-IFXJQAMLSA-N 1 2 388.424 0.431 20 30 GCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000414108595 1187718251 /nfs/dbraw/zinc/71/82/51/1187718251.db2.gz MBVQPMQXUREHHK-IFXJQAMLSA-N 1 2 388.424 0.431 20 30 GCEDLO Cn1c2nc(C(F)(F)F)ccc2c(=O)n(C[C@H](O)C[N@H+](C)CCC#N)c1=O ZINC000414115601 1187721645 /nfs/dbraw/zinc/72/16/45/1187721645.db2.gz VFMGSBIDZMLCND-SNVBAGLBSA-N 1 2 385.346 0.320 20 30 GCEDLO Cn1c2nc(C(F)(F)F)ccc2c(=O)n(C[C@H](O)C[N@@H+](C)CCC#N)c1=O ZINC000414115601 1187721647 /nfs/dbraw/zinc/72/16/47/1187721647.db2.gz VFMGSBIDZMLCND-SNVBAGLBSA-N 1 2 385.346 0.320 20 30 GCEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000414134882 1187732367 /nfs/dbraw/zinc/73/23/67/1187732367.db2.gz DOUABEJJRPZGHK-OAHLLOKOSA-N 1 2 383.470 0.293 20 30 GCEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000414134882 1187732370 /nfs/dbraw/zinc/73/23/70/1187732370.db2.gz DOUABEJJRPZGHK-OAHLLOKOSA-N 1 2 383.470 0.293 20 30 GCEDLO N#Cc1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c[nH]1 ZINC000181294135 1187913624 /nfs/dbraw/zinc/91/36/24/1187913624.db2.gz XGMIHXHQFPAYDR-HNNXBMFYSA-N 1 2 381.440 0.912 20 30 GCEDLO N#Cc1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c[nH]1 ZINC000181294135 1187913628 /nfs/dbraw/zinc/91/36/28/1187913628.db2.gz XGMIHXHQFPAYDR-HNNXBMFYSA-N 1 2 381.440 0.912 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)CC1 ZINC000377957120 1189388020 /nfs/dbraw/zinc/38/80/20/1189388020.db2.gz KWNOMIBAXICMDQ-UHFFFAOYSA-N 1 2 387.484 0.685 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)CC1 ZINC000377957120 1189388024 /nfs/dbraw/zinc/38/80/24/1189388024.db2.gz KWNOMIBAXICMDQ-UHFFFAOYSA-N 1 2 387.484 0.685 20 30 GCEDLO C[C@@H](c1ccc(C#N)cc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000118532603 1189614919 /nfs/dbraw/zinc/61/49/19/1189614919.db2.gz KMCUGRXCGLNLTP-INIZCTEOSA-N 1 2 377.514 0.729 20 30 GCEDLO C#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000728814259 1189995172 /nfs/dbraw/zinc/99/51/72/1189995172.db2.gz YGMVYKHXNJKOSE-UHFFFAOYSA-N 1 2 399.476 0.340 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000729256686 1193909319 /nfs/dbraw/zinc/90/93/19/1193909319.db2.gz DPYFWCKITSKAIK-UHFFFAOYSA-N 1 2 398.463 0.234 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000729256686 1193909321 /nfs/dbraw/zinc/90/93/21/1193909321.db2.gz DPYFWCKITSKAIK-UHFFFAOYSA-N 1 2 398.463 0.234 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2 ZINC001111522524 1193911952 /nfs/dbraw/zinc/91/19/52/1193911952.db2.gz FTGZZLIRHMIHLB-TVFCKZIOSA-N 1 2 376.501 0.398 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)C2 ZINC001111522524 1193911953 /nfs/dbraw/zinc/91/19/53/1193911953.db2.gz FTGZZLIRHMIHLB-TVFCKZIOSA-N 1 2 376.501 0.398 20 30 GCEDLO CCC(CC)(NC(=O)C1C[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1)C(N)=O ZINC000513270196 1193930772 /nfs/dbraw/zinc/93/07/72/1193930772.db2.gz ATWDSRMIMLFODN-UGSOOPFHSA-N 1 2 379.505 0.521 20 30 GCEDLO CCC(CC)(NC(=O)C1C[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1)C(N)=O ZINC000513270195 1193930842 /nfs/dbraw/zinc/93/08/42/1193930842.db2.gz ATWDSRMIMLFODN-SCLBCKFNSA-N 1 2 379.505 0.521 20 30 GCEDLO Cn1c(=O)c(C#N)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n(C)c1=O ZINC000280715840 1194016132 /nfs/dbraw/zinc/01/61/32/1194016132.db2.gz IGAJDSMFJAUCBZ-SJORKVTESA-N 1 2 381.436 0.045 20 30 GCEDLO Cn1c(=O)c(C#N)c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n(C)c1=O ZINC000280715840 1194016133 /nfs/dbraw/zinc/01/61/33/1194016133.db2.gz IGAJDSMFJAUCBZ-SJORKVTESA-N 1 2 381.436 0.045 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366559682 1194219571 /nfs/dbraw/zinc/21/95/71/1194219571.db2.gz VLYMJYNDIMAYND-HOCLYGCPSA-N 1 2 392.481 0.158 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)O[C@@]4(CCOC4)C3)CC2)o1 ZINC000366584885 1194221747 /nfs/dbraw/zinc/22/17/47/1194221747.db2.gz GCGHWVYYTSOKHO-KUHUBIRLSA-N 1 2 389.456 0.383 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)O[C@@]4(CCOC4)C3)CC2)o1 ZINC000366584885 1194221748 /nfs/dbraw/zinc/22/17/48/1194221748.db2.gz GCGHWVYYTSOKHO-KUHUBIRLSA-N 1 2 389.456 0.383 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1OCC ZINC000983035988 1194344080 /nfs/dbraw/zinc/34/40/80/1194344080.db2.gz SQJFACBAQMZLST-NTDBWNAOSA-N 1 2 390.484 0.844 20 30 GCEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505519155 1194870304 /nfs/dbraw/zinc/87/03/04/1194870304.db2.gz DJRVFHOVOBHOMG-WMLDXEAASA-N 1 2 399.451 0.600 20 30 GCEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505519155 1194870307 /nfs/dbraw/zinc/87/03/07/1194870307.db2.gz DJRVFHOVOBHOMG-WMLDXEAASA-N 1 2 399.451 0.600 20 30 GCEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505519153 1194870459 /nfs/dbraw/zinc/87/04/59/1194870459.db2.gz DJRVFHOVOBHOMG-PBHICJAKSA-N 1 2 399.451 0.600 20 30 GCEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505519153 1194870460 /nfs/dbraw/zinc/87/04/60/1194870460.db2.gz DJRVFHOVOBHOMG-PBHICJAKSA-N 1 2 399.451 0.600 20 30 GCEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCCCN3CCCC3=O)CC2)cc1 ZINC000514717747 1194896852 /nfs/dbraw/zinc/89/68/52/1194896852.db2.gz YXVHCIPCDATSMQ-UHFFFAOYSA-N 1 2 383.496 0.805 20 30 GCEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000425379313 1194933372 /nfs/dbraw/zinc/93/33/72/1194933372.db2.gz CWAJKCCLEVOBMH-MAUKXSAKSA-N 1 2 388.468 0.229 20 30 GCEDLO N#CCN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000515171321 1194952105 /nfs/dbraw/zinc/95/21/05/1194952105.db2.gz OVPFHWWQYCCYFZ-UHFFFAOYSA-N 1 2 398.510 0.347 20 30 GCEDLO CC(=O)N[C@@H](CS)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc[nH]1)CCO2 ZINC001270179053 1195076651 /nfs/dbraw/zinc/07/66/51/1195076651.db2.gz GCFUYEXXULULHT-FUHWJXTLSA-N 1 2 380.514 0.643 20 30 GCEDLO CC(=O)N[C@@H](CS)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc[nH]1)CCO2 ZINC001270179053 1195076652 /nfs/dbraw/zinc/07/66/52/1195076652.db2.gz GCFUYEXXULULHT-FUHWJXTLSA-N 1 2 380.514 0.643 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000437381781 1195105097 /nfs/dbraw/zinc/10/50/97/1195105097.db2.gz CCTIWSKMFDWTEB-HNNXBMFYSA-N 1 2 385.468 0.907 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc2)CC1 ZINC000437407180 1195107675 /nfs/dbraw/zinc/10/76/75/1195107675.db2.gz OIUAZUJVDCPGDF-OAHLLOKOSA-N 1 2 385.468 0.907 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000438317168 1195206548 /nfs/dbraw/zinc/20/65/48/1195206548.db2.gz RDEMDPYKKQBQRL-UHFFFAOYSA-N 1 2 380.416 0.828 20 30 GCEDLO N#Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1F ZINC000518013818 1195238837 /nfs/dbraw/zinc/23/88/37/1195238837.db2.gz AAZRNZOATUAOAB-UHFFFAOYSA-N 1 2 386.387 0.803 20 30 GCEDLO CC[C@](C)(C#N)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000506532949 1195303032 /nfs/dbraw/zinc/30/30/32/1195303032.db2.gz RSHKXSIQZPLCGE-QGZVFWFLSA-N 1 2 379.486 0.589 20 30 GCEDLO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439603677 1195336181 /nfs/dbraw/zinc/33/61/81/1195336181.db2.gz XLSJKXCBFWJMAU-UHFFFAOYSA-N 1 2 390.488 0.942 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000440084231 1195383447 /nfs/dbraw/zinc/38/34/47/1195383447.db2.gz VYHRRHZHVHBTNQ-LSDHHAIUSA-N 1 2 381.498 0.678 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000440084231 1195383451 /nfs/dbraw/zinc/38/34/51/1195383451.db2.gz VYHRRHZHVHBTNQ-LSDHHAIUSA-N 1 2 381.498 0.678 20 30 GCEDLO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000440278113 1195400620 /nfs/dbraw/zinc/40/06/20/1195400620.db2.gz CYHHHUKVTVRKHQ-CQSZACIVSA-N 1 2 394.497 0.594 20 30 GCEDLO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000440278113 1195400622 /nfs/dbraw/zinc/40/06/22/1195400622.db2.gz CYHHHUKVTVRKHQ-CQSZACIVSA-N 1 2 394.497 0.594 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000729444075 1195419484 /nfs/dbraw/zinc/41/94/84/1195419484.db2.gz GUYCEYBIHYHSKJ-GJZGRUSLSA-N 1 2 379.482 0.437 20 30 GCEDLO C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000729444294 1195419813 /nfs/dbraw/zinc/41/98/13/1195419813.db2.gz JPFDEXHWZLKQJD-KBPBESRZSA-N 1 2 394.497 0.341 20 30 GCEDLO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCn4cc[nH+]c4C3)n2)c(F)c1 ZINC000427042005 1195501899 /nfs/dbraw/zinc/50/18/99/1195501899.db2.gz WTGCHVMZVHEDBZ-CYBMUJFWSA-N 1 2 393.382 1.149 20 30 GCEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](CNS(N)(=O)=O)C3)o2)c1 ZINC000441298966 1195619736 /nfs/dbraw/zinc/61/97/36/1195619736.db2.gz CARVSAUXKFCVCK-CYBMUJFWSA-N 1 2 376.442 0.613 20 30 GCEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](CNS(N)(=O)=O)C3)o2)c1 ZINC000441298966 1195619738 /nfs/dbraw/zinc/61/97/38/1195619738.db2.gz CARVSAUXKFCVCK-CYBMUJFWSA-N 1 2 376.442 0.613 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CCCO2)CC3)CC1 ZINC000328797519 1195668586 /nfs/dbraw/zinc/66/85/86/1195668586.db2.gz VVZFDWTUAXQIQH-RHSMWYFYSA-N 1 2 375.473 0.969 20 30 GCEDLO Cn1cc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cn1 ZINC000328862270 1195671896 /nfs/dbraw/zinc/67/18/96/1195671896.db2.gz VPPRHPQZCPRQGX-CQSZACIVSA-N 1 2 385.472 0.571 20 30 GCEDLO CC(C)(CNC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000328958769 1195682237 /nfs/dbraw/zinc/68/22/37/1195682237.db2.gz JVWHYDAKUZRZBZ-IBGZPJMESA-N 1 2 382.505 0.461 20 30 GCEDLO CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000330399337 1195687392 /nfs/dbraw/zinc/68/73/92/1195687392.db2.gz CZJAOFPDGQLJIG-AWEZNQCLSA-N 1 2 382.486 0.645 20 30 GCEDLO CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000330399337 1195687395 /nfs/dbraw/zinc/68/73/95/1195687395.db2.gz CZJAOFPDGQLJIG-AWEZNQCLSA-N 1 2 382.486 0.645 20 30 GCEDLO CCCS(=O)(=O)NC1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000330650145 1195698977 /nfs/dbraw/zinc/69/89/77/1195698977.db2.gz XFMPIPDWAAICCD-HUUCEWRRSA-N 1 2 390.550 0.803 20 30 GCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000330664972 1195700113 /nfs/dbraw/zinc/70/01/13/1195700113.db2.gz ZGXCUEIFLRDCMR-CVEARBPZSA-N 1 2 389.566 0.330 20 30 GCEDLO CN(CCC#N)C(=O)CC[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000330634052 1195701369 /nfs/dbraw/zinc/70/13/69/1195701369.db2.gz SUPRQZFCMAZQRD-UHFFFAOYSA-N 1 2 399.561 0.875 20 30 GCEDLO CCCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000330631639 1195701408 /nfs/dbraw/zinc/70/14/08/1195701408.db2.gz GKIUGBQVTXCGEP-HUUCEWRRSA-N 1 2 390.550 0.803 20 30 GCEDLO CCN(C1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000330675030 1195703255 /nfs/dbraw/zinc/70/32/55/1195703255.db2.gz RKEPMWRWCSGXEU-HNNXBMFYSA-N 1 2 389.566 0.282 20 30 GCEDLO CCN(C1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000330674774 1195703322 /nfs/dbraw/zinc/70/33/22/1195703322.db2.gz QUZMUYOAYGDAKN-CABCVRRESA-N 1 2 390.550 0.756 20 30 GCEDLO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc(S(=O)(=O)N(C)C)c1C ZINC000330749184 1195705517 /nfs/dbraw/zinc/70/55/17/1195705517.db2.gz HGLGILRBSLTIFK-INIZCTEOSA-N 1 2 399.513 0.551 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280834055 1195809219 /nfs/dbraw/zinc/80/92/19/1195809219.db2.gz PNJPMQJKKJLIJV-UHFFFAOYSA-N 1 2 388.424 0.566 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280834055 1195809220 /nfs/dbraw/zinc/80/92/20/1195809220.db2.gz PNJPMQJKKJLIJV-UHFFFAOYSA-N 1 2 388.424 0.566 20 30 GCEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 ZINC000428070307 1195909428 /nfs/dbraw/zinc/90/94/28/1195909428.db2.gz NQPMTJJXMHEZHN-INIZCTEOSA-N 1 2 394.497 0.719 20 30 GCEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 ZINC000428070307 1195909429 /nfs/dbraw/zinc/90/94/29/1195909429.db2.gz NQPMTJJXMHEZHN-INIZCTEOSA-N 1 2 394.497 0.719 20 30 GCEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 ZINC000428070308 1195909479 /nfs/dbraw/zinc/90/94/79/1195909479.db2.gz NQPMTJJXMHEZHN-MRXNPFEDSA-N 1 2 394.497 0.719 20 30 GCEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 ZINC000428070308 1195909481 /nfs/dbraw/zinc/90/94/81/1195909481.db2.gz NQPMTJJXMHEZHN-MRXNPFEDSA-N 1 2 394.497 0.719 20 30 GCEDLO CCN(CCC#N)C(=O)CN1CCC[N@H+](CC(=O)N(CC)CCC#N)CC1 ZINC000522165386 1196048695 /nfs/dbraw/zinc/04/86/95/1196048695.db2.gz KRJTZVXTWTWVAE-UHFFFAOYSA-N 1 2 376.505 0.518 20 30 GCEDLO CCN(CCC#N)C(=O)CN1CCC[N@@H+](CC(=O)N(CC)CCC#N)CC1 ZINC000522165386 1196048697 /nfs/dbraw/zinc/04/86/97/1196048697.db2.gz KRJTZVXTWTWVAE-UHFFFAOYSA-N 1 2 376.505 0.518 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)Cn2cccn2)CC3)CC1 ZINC000328809043 1196061263 /nfs/dbraw/zinc/06/12/63/1196061263.db2.gz DUSUNQNWABWTIW-HNNXBMFYSA-N 1 2 385.472 0.686 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)CC1 ZINC000896181365 1196132008 /nfs/dbraw/zinc/13/20/08/1196132008.db2.gz JZFDVPGEVPEJIW-MRXNPFEDSA-N 1 2 376.501 0.307 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN(C(C)(C)C)C2=O)CC1 ZINC000896181365 1196132012 /nfs/dbraw/zinc/13/20/12/1196132012.db2.gz JZFDVPGEVPEJIW-MRXNPFEDSA-N 1 2 376.501 0.307 20 30 GCEDLO C[C@H](CNC(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1)[NH+]1CCOCC1 ZINC000329052155 1196160047 /nfs/dbraw/zinc/16/00/47/1196160047.db2.gz ROENYRIHWDZTOS-UKRRQHHQSA-N 1 2 378.477 0.870 20 30 GCEDLO CC(=O)N1CCC(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000329092447 1196162645 /nfs/dbraw/zinc/16/26/45/1196162645.db2.gz JVQVPBYEJKJJNC-UHFFFAOYSA-N 1 2 389.504 0.361 20 30 GCEDLO CCOC1CC(CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)([NH+]2CCOCC2)C1 ZINC000329202027 1196175529 /nfs/dbraw/zinc/17/55/29/1196175529.db2.gz VVPDSYXYRUPLJN-BHEGOAEISA-N 1 2 395.504 0.473 20 30 GCEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CC(=O)N(C3CC3)C2)CCC(=O)N1C1CC1 ZINC000329236217 1196178695 /nfs/dbraw/zinc/17/86/95/1196178695.db2.gz OCRMBIAJWZIWJG-RDTXWAMCSA-N 1 2 386.456 0.793 20 30 GCEDLO CN(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@@H]1COC[C@H]1O ZINC000329337983 1196186648 /nfs/dbraw/zinc/18/66/48/1196186648.db2.gz MVRVNYFZCAHMJR-DNNBLBMLSA-N 1 2 377.445 0.220 20 30 GCEDLO C[C@H](CN1CCCC1=O)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329430260 1196195039 /nfs/dbraw/zinc/19/50/39/1196195039.db2.gz KEJNJAWHBKQUME-CQSZACIVSA-N 1 2 388.472 0.806 20 30 GCEDLO C[C@H](CN1CCOCC1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329457484 1196197908 /nfs/dbraw/zinc/19/79/08/1196197908.db2.gz QNKAKLCYIAAPHU-OAHLLOKOSA-N 1 2 390.488 0.516 20 30 GCEDLO Cn1cc(N2CC[C@H](NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)C2=O)cn1 ZINC000329787080 1196231114 /nfs/dbraw/zinc/23/11/14/1196231114.db2.gz YJFRPTWAKGWADU-ZBFHGGJFSA-N 1 2 376.461 0.236 20 30 GCEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000329781514 1196231300 /nfs/dbraw/zinc/23/13/00/1196231300.db2.gz SUQYVXCJAJHUJF-LJQANCHMSA-N 1 2 387.488 0.955 20 30 GCEDLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCN2CCOC[C@@H]2C1 ZINC000329792038 1196231478 /nfs/dbraw/zinc/23/14/78/1196231478.db2.gz UXNBOUHUOUTMKT-UXHICEINSA-N 1 2 388.512 0.860 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCSC[C@@H]3CCO)ccn2)CC1 ZINC000329846843 1196234144 /nfs/dbraw/zinc/23/41/44/1196234144.db2.gz PBHYAPIEKDXLRY-HNNXBMFYSA-N 1 2 393.513 0.815 20 30 GCEDLO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000329864040 1196235017 /nfs/dbraw/zinc/23/50/17/1196235017.db2.gz SKAFCXYISWCLKQ-QZTJIDSGSA-N 1 2 390.532 0.908 20 30 GCEDLO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000329864040 1196235021 /nfs/dbraw/zinc/23/50/21/1196235021.db2.gz SKAFCXYISWCLKQ-QZTJIDSGSA-N 1 2 390.532 0.908 20 30 GCEDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000329963707 1196242970 /nfs/dbraw/zinc/24/29/70/1196242970.db2.gz SQXUUUYPJNTSSJ-WMLDXEAASA-N 1 2 396.513 0.883 20 30 GCEDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000330035370 1196247782 /nfs/dbraw/zinc/24/77/82/1196247782.db2.gz BSVWLXOWSRQARN-CQSZACIVSA-N 1 2 380.470 0.654 20 30 GCEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000330147603 1196256278 /nfs/dbraw/zinc/25/62/78/1196256278.db2.gz LXWZLTMANHBLJA-UHFFFAOYSA-N 1 2 384.440 0.924 20 30 GCEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)CC[C@H]2CCCCN2C(C)=O)CC1 ZINC000330178286 1196257784 /nfs/dbraw/zinc/25/77/84/1196257784.db2.gz DOUNXSKJYPWLHH-MRXNPFEDSA-N 1 2 388.534 0.748 20 30 GCEDLO CNS(=O)(=O)NC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000281041720 1196272636 /nfs/dbraw/zinc/27/26/36/1196272636.db2.gz QCZCRKLSXXBDNR-KRWDZBQOSA-N 1 2 391.497 0.572 20 30 GCEDLO C=CCN1CC[C@@H](N(C)c2cc(N(C)[C@@H]3CCN(CC=C)C3=O)[nH+]cn2)C1=O ZINC000281988845 1196357030 /nfs/dbraw/zinc/35/70/30/1196357030.db2.gz VLOJRQQCIUJICV-HZPDHXFCSA-N 1 2 384.484 0.923 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@@H+]1CC(C)(C)O ZINC000444281698 1196370291 /nfs/dbraw/zinc/37/02/91/1196370291.db2.gz WIVIFCXKRIDEMR-GFCCVEGCSA-N 1 2 382.442 0.932 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@H+]1CC(C)(C)O ZINC000444281698 1196370296 /nfs/dbraw/zinc/37/02/96/1196370296.db2.gz WIVIFCXKRIDEMR-GFCCVEGCSA-N 1 2 382.442 0.932 20 30 GCEDLO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@@H+]1CC(C)(C)O ZINC000444281702 1196370357 /nfs/dbraw/zinc/37/03/57/1196370357.db2.gz WIVIFCXKRIDEMR-LBPRGKRZSA-N 1 2 382.442 0.932 20 30 GCEDLO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@H+]1CC(C)(C)O ZINC000444281702 1196370360 /nfs/dbraw/zinc/37/03/60/1196370360.db2.gz WIVIFCXKRIDEMR-LBPRGKRZSA-N 1 2 382.442 0.932 20 30 GCEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000475434513 1196416204 /nfs/dbraw/zinc/41/62/04/1196416204.db2.gz JSNRUCFPITXKSD-UHFFFAOYSA-N 1 2 386.387 0.803 20 30 GCEDLO N#CCCn1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000444505761 1196499206 /nfs/dbraw/zinc/49/92/06/1196499206.db2.gz DTMXOQMTMHWTNC-UHFFFAOYSA-N 1 2 381.371 1.376 20 30 GCEDLO N#CCCn1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000444591382 1196505917 /nfs/dbraw/zinc/50/59/17/1196505917.db2.gz CPFWHVDQXCBCBR-UHFFFAOYSA-N 1 2 396.451 0.884 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000445101633 1196547889 /nfs/dbraw/zinc/54/78/89/1196547889.db2.gz NISLMSARFXVNSS-KRWDZBQOSA-N 1 2 399.451 0.040 20 30 GCEDLO Cc1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1S(=O)(=O)NCC#N ZINC000447662263 1196737871 /nfs/dbraw/zinc/73/78/71/1196737871.db2.gz WBQUCDWPEGNOCB-HNNXBMFYSA-N 1 2 394.497 0.590 20 30 GCEDLO Cn1c(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(C#N)c(=O)n(C)c1=O ZINC000145155386 1196741306 /nfs/dbraw/zinc/74/13/06/1196741306.db2.gz FFQNAJUZIBMCFN-UHFFFAOYSA-N 1 2 399.451 0.279 20 30 GCEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528414306 1196857771 /nfs/dbraw/zinc/85/77/71/1196857771.db2.gz DBKUDXDEHCIIBL-CQSZACIVSA-N 1 2 375.450 0.300 20 30 GCEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528414306 1196857777 /nfs/dbraw/zinc/85/77/77/1196857777.db2.gz DBKUDXDEHCIIBL-CQSZACIVSA-N 1 2 375.450 0.300 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000528727218 1196882030 /nfs/dbraw/zinc/88/20/30/1196882030.db2.gz AHBWRQHSWKTGPC-UHFFFAOYSA-N 1 2 377.489 0.342 20 30 GCEDLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000528727218 1196882033 /nfs/dbraw/zinc/88/20/33/1196882033.db2.gz AHBWRQHSWKTGPC-UHFFFAOYSA-N 1 2 377.489 0.342 20 30 GCEDLO COCc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C#N ZINC000529817326 1196946045 /nfs/dbraw/zinc/94/60/45/1196946045.db2.gz YJTVZWRNPWDESN-KRWDZBQOSA-N 1 2 386.452 0.824 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1Nc1nc(N[C@@H]2CCO[C@H]2C=C)[nH+]c(N2CCOCC2)n1 ZINC000450763452 1196952971 /nfs/dbraw/zinc/95/29/71/1196952971.db2.gz WCDGIUBRPAHDLO-WCVJEAGWSA-N 1 2 388.472 0.063 20 30 GCEDLO Cc1nn(C)c(N2CC[NH+](CCN3C(=O)NC4(CCCC4)C3=O)CC2)c1C#N ZINC000530519289 1196993495 /nfs/dbraw/zinc/99/34/95/1196993495.db2.gz NPZCFKTZDZNDMR-UHFFFAOYSA-N 1 2 385.472 0.587 20 30 GCEDLO C=CCN1CC[C@H]([NH+]2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)C1=O ZINC000282033573 1197045348 /nfs/dbraw/zinc/04/53/48/1197045348.db2.gz QIESFEGSPXBJRY-IBGZPJMESA-N 1 2 386.496 0.830 20 30 GCEDLO COCCNC(=O)CN1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000610182860 1197151467 /nfs/dbraw/zinc/15/14/67/1197151467.db2.gz DMYAHVRFAJKPAD-UHFFFAOYSA-N 1 2 379.486 0.329 20 30 GCEDLO COCCNC(=O)C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000610484800 1197258580 /nfs/dbraw/zinc/25/85/80/1197258580.db2.gz PDKJNSOUCVPVHW-UHFFFAOYSA-N 1 2 379.482 0.807 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2cc(C)cc(C)c2)CC1 ZINC000170899082 1197288766 /nfs/dbraw/zinc/28/87/66/1197288766.db2.gz BXKRJHXIAAYUCR-UHFFFAOYSA-N 1 2 384.480 0.317 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2cc(C)cc(C)c2)CC1 ZINC000170899082 1197288768 /nfs/dbraw/zinc/28/87/68/1197288768.db2.gz BXKRJHXIAAYUCR-UHFFFAOYSA-N 1 2 384.480 0.317 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000129264542 1197365820 /nfs/dbraw/zinc/36/58/20/1197365820.db2.gz WSRKOHBWLQXZHM-UHFFFAOYSA-N 1 2 384.480 0.722 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000129264542 1197365824 /nfs/dbraw/zinc/36/58/24/1197365824.db2.gz WSRKOHBWLQXZHM-UHFFFAOYSA-N 1 2 384.480 0.722 20 30 GCEDLO C=C(C)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000454340573 1197407009 /nfs/dbraw/zinc/40/70/09/1197407009.db2.gz QBWKVPRYTVMUDD-UHFFFAOYSA-N 1 2 381.502 0.799 20 30 GCEDLO CC[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000532760888 1197409721 /nfs/dbraw/zinc/40/97/21/1197409721.db2.gz MVHNGOGFUNGXOS-OAHLLOKOSA-N 1 2 392.481 0.512 20 30 GCEDLO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000532760888 1197409723 /nfs/dbraw/zinc/40/97/23/1197409723.db2.gz MVHNGOGFUNGXOS-OAHLLOKOSA-N 1 2 392.481 0.512 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n(CCC#N)n1 ZINC000532993987 1197424999 /nfs/dbraw/zinc/42/49/99/1197424999.db2.gz AXSRSQWSIZGNIM-CVEARBPZSA-N 1 2 388.472 0.803 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc(SC)n3ccccc23)CC1 ZINC000079049008 1197520017 /nfs/dbraw/zinc/52/00/17/1197520017.db2.gz DBPQDRLZMGOHLY-UHFFFAOYSA-N 1 2 385.493 0.954 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc(SC)n3ccccc23)CC1 ZINC000079049008 1197520019 /nfs/dbraw/zinc/52/00/19/1197520019.db2.gz DBPQDRLZMGOHLY-UHFFFAOYSA-N 1 2 385.493 0.954 20 30 GCEDLO N#CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCSCC1 ZINC000533745944 1197555971 /nfs/dbraw/zinc/55/59/71/1197555971.db2.gz OEHKUJJSLLFTDP-HNNXBMFYSA-N 1 2 380.514 0.605 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000265752548 1199122156 /nfs/dbraw/zinc/12/21/56/1199122156.db2.gz FDTUGXFGLIAGPK-UHFFFAOYSA-N 1 2 384.411 0.977 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CC1 ZINC000265752548 1199122157 /nfs/dbraw/zinc/12/21/57/1199122157.db2.gz FDTUGXFGLIAGPK-UHFFFAOYSA-N 1 2 384.411 0.977 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(NC(=O)N(C)C)c2)CC1 ZINC000265779741 1199180404 /nfs/dbraw/zinc/18/04/04/1199180404.db2.gz JQHYWKJNETTYDA-UHFFFAOYSA-N 1 2 385.468 0.677 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(NC(=O)N(C)C)c2)CC1 ZINC000265779741 1199180407 /nfs/dbraw/zinc/18/04/07/1199180407.db2.gz JQHYWKJNETTYDA-UHFFFAOYSA-N 1 2 385.468 0.677 20 30 GCEDLO COCCNC(=O)CN1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000265804466 1199279137 /nfs/dbraw/zinc/27/91/37/1199279137.db2.gz CWHHDTDEOWYYFU-UHFFFAOYSA-N 1 2 376.457 0.326 20 30 GCEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000543188273 1199571549 /nfs/dbraw/zinc/57/15/49/1199571549.db2.gz VVKOZGOKQBWCNY-MSOLQXFVSA-N 1 2 392.500 0.944 20 30 GCEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000543188273 1199571552 /nfs/dbraw/zinc/57/15/52/1199571552.db2.gz VVKOZGOKQBWCNY-MSOLQXFVSA-N 1 2 392.500 0.944 20 30 GCEDLO 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O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767410305 1201972069 /nfs/dbraw/zinc/97/20/69/1201972069.db2.gz CUCBDKIRBKRKSQ-OKILXGFUSA-N 1 2 393.465 0.522 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108956081 1201984445 /nfs/dbraw/zinc/98/44/45/1201984445.db2.gz BWUXQVOHAMNAIX-CRWXNKLISA-N 1 2 379.486 0.365 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108956081 1201984446 /nfs/dbraw/zinc/98/44/46/1201984446.db2.gz BWUXQVOHAMNAIX-CRWXNKLISA-N 1 2 379.486 0.365 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C)C2 ZINC001109012434 1201989212 /nfs/dbraw/zinc/98/92/12/1201989212.db2.gz XLKYQBZWPFJOKX-GHYVTOPFSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C)C2 ZINC001109012434 1201989216 /nfs/dbraw/zinc/98/92/16/1201989216.db2.gz XLKYQBZWPFJOKX-GHYVTOPFSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)on1)C2 ZINC001109078146 1201993115 /nfs/dbraw/zinc/99/31/15/1201993115.db2.gz FLQGHTCVTGOTQV-ILXRZTDVSA-N 1 2 375.429 0.259 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)on1)C2 ZINC001109078146 1201993116 /nfs/dbraw/zinc/99/31/16/1201993116.db2.gz FLQGHTCVTGOTQV-ILXRZTDVSA-N 1 2 375.429 0.259 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCOCC1)C2 ZINC001109094299 1201995033 /nfs/dbraw/zinc/99/50/33/1201995033.db2.gz XACNIAGUGUEDEC-PMPSAXMXSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCOCC1)C2 ZINC001109094299 1201995034 /nfs/dbraw/zinc/99/50/34/1201995034.db2.gz XACNIAGUGUEDEC-PMPSAXMXSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC[C@@H]1CCCO1 ZINC001109120249 1201997127 /nfs/dbraw/zinc/99/71/27/1201997127.db2.gz JRAOHEXRTXTQRX-OWSLCNJRSA-N 1 2 379.501 0.986 20 30 GCEDLO 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C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13CCC[C@H]1OCC3)C2 ZINC001109513315 1202069339 /nfs/dbraw/zinc/06/93/39/1202069339.db2.gz AQSKDIXZCCLLKZ-QVTQBDIJSA-N 1 2 390.484 0.679 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)nn1C)C2 ZINC001109514424 1202069996 /nfs/dbraw/zinc/06/99/96/1202069996.db2.gz HLDNWYWYEFUHMG-NMKXLXIOSA-N 1 2 379.411 0.831 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(F)F)nn1C)C2 ZINC001109514424 1202069997 /nfs/dbraw/zinc/06/99/97/1202069997.db2.gz HLDNWYWYEFUHMG-NMKXLXIOSA-N 1 2 379.411 0.831 20 30 GCEDLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)c(-c2ccoc2)n1 ZINC001109547160 1202076453 /nfs/dbraw/zinc/07/64/53/1202076453.db2.gz MMJMMRZLWAJDLD-KBMXLJTQSA-N 1 2 382.424 0.655 20 30 GCEDLO Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)c(-c2ccoc2)n1 ZINC001109547160 1202076455 /nfs/dbraw/zinc/07/64/55/1202076455.db2.gz MMJMMRZLWAJDLD-KBMXLJTQSA-N 1 2 382.424 0.655 20 30 GCEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000769952895 1202078139 /nfs/dbraw/zinc/07/81/39/1202078139.db2.gz GKRVUVLHBYITFI-HNNXBMFYSA-N 1 2 379.482 0.908 20 30 GCEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000769952895 1202078141 /nfs/dbraw/zinc/07/81/41/1202078141.db2.gz GKRVUVLHBYITFI-HNNXBMFYSA-N 1 2 379.482 0.908 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C1CCOCC1)C2 ZINC001109568033 1202081927 /nfs/dbraw/zinc/08/19/27/1202081927.db2.gz GHYUFSQQXJNSEO-VUHPKUFZSA-N 1 2 377.485 0.289 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C1CCOCC1)C2 ZINC001109568033 1202081930 /nfs/dbraw/zinc/08/19/30/1202081930.db2.gz GHYUFSQQXJNSEO-VUHPKUFZSA-N 1 2 377.485 0.289 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(C)c1Cl)C2 ZINC001109577023 1202082579 /nfs/dbraw/zinc/08/25/79/1202082579.db2.gz MIXAMWGIMVLZRR-MQYQWHSLSA-N 1 2 377.876 0.855 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nn(C)c1Cl)C2 ZINC001109577023 1202082582 /nfs/dbraw/zinc/08/25/82/1202082582.db2.gz MIXAMWGIMVLZRR-MQYQWHSLSA-N 1 2 377.876 0.855 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)ncn3C)C2 ZINC001109590196 1202087258 /nfs/dbraw/zinc/08/72/58/1202087258.db2.gz WUZJYMRGZDOVGJ-GUSZCTEKSA-N 1 2 380.452 0.441 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(c1)ncn3C)C2 ZINC001109590196 1202087262 /nfs/dbraw/zinc/08/72/62/1202087262.db2.gz WUZJYMRGZDOVGJ-GUSZCTEKSA-N 1 2 380.452 0.441 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN(CC(F)F)C1)C2 ZINC001109646059 1202097329 /nfs/dbraw/zinc/09/73/29/1202097329.db2.gz HGWQTPGOJFDKRE-WCVJEAGWSA-N 1 2 382.455 0.434 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN(CC(F)F)C1)C2 ZINC001109646059 1202097332 /nfs/dbraw/zinc/09/73/32/1202097332.db2.gz HGWQTPGOJFDKRE-WCVJEAGWSA-N 1 2 382.455 0.434 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(=O)(=O)CC)c1 ZINC001109696764 1202104934 /nfs/dbraw/zinc/10/49/34/1202104934.db2.gz LSZQMTREDHQKTG-IKGGRYGDSA-N 1 2 376.482 0.337 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(=O)(=O)CC)c1 ZINC001109696764 1202104936 /nfs/dbraw/zinc/10/49/36/1202104936.db2.gz LSZQMTREDHQKTG-IKGGRYGDSA-N 1 2 376.482 0.337 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@H]2CCOC2)c1 ZINC001109697308 1202105119 /nfs/dbraw/zinc/10/51/19/1202105119.db2.gz ZVAADEKOLDCYBN-YSHGAJCASA-N 1 2 382.464 0.551 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@H]2CCOC2)c1 ZINC001109697308 1202105122 /nfs/dbraw/zinc/10/51/22/1202105122.db2.gz ZVAADEKOLDCYBN-YSHGAJCASA-N 1 2 382.464 0.551 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1cccn1)C2 ZINC001109760875 1202119104 /nfs/dbraw/zinc/11/91/04/1202119104.db2.gz WNSIPXGRNPWBCG-HFTRVMKXSA-N 1 2 378.436 0.847 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1cccn1)C2 ZINC001109760875 1202119106 /nfs/dbraw/zinc/11/91/06/1202119106.db2.gz WNSIPXGRNPWBCG-HFTRVMKXSA-N 1 2 378.436 0.847 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[nH]c3ccccc31)C2 ZINC001109762108 1202119493 /nfs/dbraw/zinc/11/94/93/1202119493.db2.gz IKMKDBICLCXPCE-KMFMINBZSA-N 1 2 381.436 0.213 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(=O)[nH]c3ccccc31)C2 ZINC001109762108 1202119494 /nfs/dbraw/zinc/11/94/94/1202119494.db2.gz IKMKDBICLCXPCE-KMFMINBZSA-N 1 2 381.436 0.213 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccccn3)c1)C2 ZINC001109776614 1202121767 /nfs/dbraw/zinc/12/17/67/1202121767.db2.gz VVBXJPNPLPASLX-IKGGRYGDSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3ccccn3)c1)C2 ZINC001109776614 1202121769 /nfs/dbraw/zinc/12/17/69/1202121769.db2.gz VVBXJPNPLPASLX-IKGGRYGDSA-N 1 2 380.452 0.905 20 30 GCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC(C)C ZINC001109806084 1202125674 /nfs/dbraw/zinc/12/56/74/1202125674.db2.gz NNYOHTKRWYWDIU-XDNAFOTISA-N 1 2 378.517 0.951 20 30 GCEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC(C)C ZINC001109806084 1202125676 /nfs/dbraw/zinc/12/56/76/1202125676.db2.gz NNYOHTKRWYWDIU-XDNAFOTISA-N 1 2 378.517 0.951 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnc3)cc1)C2 ZINC001109838521 1202131275 /nfs/dbraw/zinc/13/12/75/1202131275.db2.gz IQERASAAXKPEJA-SQNIBIBYSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnc3)cc1)C2 ZINC001109838521 1202131276 /nfs/dbraw/zinc/13/12/76/1202131276.db2.gz IQERASAAXKPEJA-SQNIBIBYSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3cccc(C)c3n1)C2 ZINC001109840535 1202131643 /nfs/dbraw/zinc/13/16/43/1202131643.db2.gz RPIFYOXNTKVFPB-SQNIBIBYSA-N 1 2 379.464 0.656 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3cccc(C)c3n1)C2 ZINC001109840535 1202131645 /nfs/dbraw/zinc/13/16/45/1202131645.db2.gz RPIFYOXNTKVFPB-SQNIBIBYSA-N 1 2 379.464 0.656 20 30 GCEDLO CC(=O)N1CCCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109834366 1202132314 /nfs/dbraw/zinc/13/23/14/1202132314.db2.gz ZBQCHLQLLPXQMU-NCOADZHNSA-N 1 2 375.473 0.139 20 30 GCEDLO CC(=O)N1CCCC[C@@H]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109834366 1202132315 /nfs/dbraw/zinc/13/23/15/1202132315.db2.gz ZBQCHLQLLPXQMU-NCOADZHNSA-N 1 2 375.473 0.139 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCOCC1)C2 ZINC001109843119 1202133990 /nfs/dbraw/zinc/13/39/90/1202133990.db2.gz CUBHQVSUVHQJFD-ILXRZTDVSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCOCC1)C2 ZINC001109843119 1202133993 /nfs/dbraw/zinc/13/39/93/1202133993.db2.gz CUBHQVSUVHQJFD-ILXRZTDVSA-N 1 2 378.473 0.536 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1Br)C2 ZINC001109855244 1202137160 /nfs/dbraw/zinc/13/71/60/1202137160.db2.gz VJJUUDGGVHVHCX-USWWRNFRSA-N 1 2 380.246 0.257 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1Br)C2 ZINC001109855244 1202137162 /nfs/dbraw/zinc/13/71/62/1202137162.db2.gz VJJUUDGGVHVHCX-USWWRNFRSA-N 1 2 380.246 0.257 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccc3)nc1)C2 ZINC001109859956 1202137918 /nfs/dbraw/zinc/13/79/18/1202137918.db2.gz BWOZHLUOLZVQPJ-SQNIBIBYSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccc3)nc1)C2 ZINC001109859956 1202137920 /nfs/dbraw/zinc/13/79/20/1202137920.db2.gz BWOZHLUOLZVQPJ-SQNIBIBYSA-N 1 2 377.448 0.957 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oncc1C)C2 ZINC001109922489 1202150208 /nfs/dbraw/zinc/15/02/08/1202150208.db2.gz GLYCWABSHXNXFG-CRWXNKLISA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oncc1C)C2 ZINC001109922489 1202150212 /nfs/dbraw/zinc/15/02/12/1202150212.db2.gz GLYCWABSHXNXFG-CRWXNKLISA-N 1 2 375.429 0.718 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C2 ZINC001109988090 1202167794 /nfs/dbraw/zinc/16/77/94/1202167794.db2.gz WJOSDJTYRITDJS-SQNIBIBYSA-N 1 2 382.464 0.473 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C2 ZINC001109988090 1202167797 /nfs/dbraw/zinc/16/77/97/1202167797.db2.gz WJOSDJTYRITDJS-SQNIBIBYSA-N 1 2 382.464 0.473 20 30 GCEDLO C[N@@H+]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)[C@@H](c2ccccc2)C1 ZINC000787753625 1205400034 /nfs/dbraw/zinc/40/00/34/1205400034.db2.gz IPZLNYCKWDNLTH-GOSISDBHSA-N 1 2 392.463 0.997 20 30 GCEDLO C[N@H+]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)[C@@H](c2ccccc2)C1 ZINC000787753625 1205400038 /nfs/dbraw/zinc/40/00/38/1205400038.db2.gz IPZLNYCKWDNLTH-GOSISDBHSA-N 1 2 392.463 0.997 20 30 GCEDLO N#Cc1cccnc1NCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000787778336 1205402499 /nfs/dbraw/zinc/40/24/99/1205402499.db2.gz PIFQQIQCLUOPBF-UHFFFAOYSA-N 1 2 378.436 0.613 20 30 GCEDLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCNc2ncccc2C#N)c1C ZINC000787787356 1205402860 /nfs/dbraw/zinc/40/28/60/1205402860.db2.gz JJSDRRLHQCIZSJ-UHFFFAOYSA-N 1 2 382.424 0.818 20 30 GCEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCNc2ncccc2C#N)C[C@H](C)O1 ZINC000787788523 1205403179 /nfs/dbraw/zinc/40/31/79/1205403179.db2.gz ZWNPXDACLJYPIL-GASCZTMLSA-N 1 2 388.472 0.049 20 30 GCEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCNc2ncccc2C#N)C[C@H](C)O1 ZINC000787788523 1205403184 /nfs/dbraw/zinc/40/31/84/1205403184.db2.gz ZWNPXDACLJYPIL-GASCZTMLSA-N 1 2 388.472 0.049 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000788009685 1205411346 /nfs/dbraw/zinc/41/13/46/1205411346.db2.gz DLQCMGKNZSVUCB-OALUTQOASA-N 1 2 384.480 0.222 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)N(C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000788378854 1205421073 /nfs/dbraw/zinc/42/10/73/1205421073.db2.gz TVWSDAYZSDKJGY-QRWLVFNGSA-N 1 2 385.468 0.935 20 30 GCEDLO N#Cc1ccc(NCCNC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)nc1 ZINC000788854968 1205431992 /nfs/dbraw/zinc/43/19/92/1205431992.db2.gz MROCUFKOPAVYGN-UHFFFAOYSA-N 1 2 381.440 0.373 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000789300982 1205438681 /nfs/dbraw/zinc/43/86/81/1205438681.db2.gz RBKVVPRJKWWJDJ-UHFFFAOYSA-N 1 2 376.482 0.181 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)C2 ZINC001110090558 1205464490 /nfs/dbraw/zinc/46/44/90/1205464490.db2.gz PGHCQPZQDXNHOC-BGTYHANMSA-N 1 2 382.464 0.793 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)C2 ZINC001110090558 1205464492 /nfs/dbraw/zinc/46/44/92/1205464492.db2.gz PGHCQPZQDXNHOC-BGTYHANMSA-N 1 2 382.464 0.793 20 30 GCEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)C1=O ZINC000790455706 1205465153 /nfs/dbraw/zinc/46/51/53/1205465153.db2.gz KOFOUHHFSPYNLE-JXFKEZNVSA-N 1 2 381.436 0.979 20 30 GCEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2CC[C@H](N3CCCC3=O)C2)C1=O ZINC000790455706 1205465159 /nfs/dbraw/zinc/46/51/59/1205465159.db2.gz KOFOUHHFSPYNLE-JXFKEZNVSA-N 1 2 381.436 0.979 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)ccc2-n2cccn2)CC1 ZINC000793439457 1205498618 /nfs/dbraw/zinc/49/86/18/1205498618.db2.gz NJCLAFRPUWJGKH-UHFFFAOYSA-N 1 2 383.427 0.909 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)ccc2-n2cccn2)CC1 ZINC000793439457 1205498619 /nfs/dbraw/zinc/49/86/19/1205498619.db2.gz NJCLAFRPUWJGKH-UHFFFAOYSA-N 1 2 383.427 0.909 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCCO1 ZINC000806399312 1205556796 /nfs/dbraw/zinc/55/67/96/1205556796.db2.gz KGVMILXRTDOLRC-BZSNNMDCSA-N 1 2 399.495 0.005 20 30 GCEDLO C#CCOCCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807106641 1205575664 /nfs/dbraw/zinc/57/56/64/1205575664.db2.gz UHIABLVKTHKACU-INIZCTEOSA-N 1 2 380.489 0.973 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)CC1 ZINC000747796032 1205665921 /nfs/dbraw/zinc/66/59/21/1205665921.db2.gz KGMNPMRTTFASTE-HNNXBMFYSA-N 1 2 396.447 0.957 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 ZINC000747795672 1205665953 /nfs/dbraw/zinc/66/59/53/1205665953.db2.gz FQGCZETVUHTXHI-UHFFFAOYSA-N 1 2 388.449 0.458 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)CC1 ZINC000747819936 1205668649 /nfs/dbraw/zinc/66/86/49/1205668649.db2.gz BUWFPMPAGFQGDJ-UHFFFAOYSA-N 1 2 385.424 0.945 20 30 GCEDLO C=CCC(F)(F)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000815015286 1205697141 /nfs/dbraw/zinc/69/71/41/1205697141.db2.gz FCTQGQVNIKSQSL-UHFFFAOYSA-N 1 2 388.440 0.861 20 30 GCEDLO C#CCNC(=O)CCN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000815087362 1205698149 /nfs/dbraw/zinc/69/81/49/1205698149.db2.gz ZIQJNPKNEVCEQO-HXUWFJFHSA-N 1 2 382.508 0.935 20 30 GCEDLO C=CCC(F)(F)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000815311930 1205702688 /nfs/dbraw/zinc/70/26/88/1205702688.db2.gz DOKUWXAFGYUCGA-UHFFFAOYSA-N 1 2 394.382 0.767 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001110181543 1205735836 /nfs/dbraw/zinc/73/58/36/1205735836.db2.gz JHKYNMMVUAPREK-PMPSAXMXSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001110181543 1205735837 /nfs/dbraw/zinc/73/58/37/1205735837.db2.gz JHKYNMMVUAPREK-PMPSAXMXSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001110183624 1205736266 /nfs/dbraw/zinc/73/62/66/1205736266.db2.gz ZXYLLFABANHRMW-FZKCQIBNSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001110183624 1205736267 /nfs/dbraw/zinc/73/62/67/1205736267.db2.gz ZXYLLFABANHRMW-FZKCQIBNSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCCC ZINC001110183101 1205736401 /nfs/dbraw/zinc/73/64/01/1205736401.db2.gz KJXSEFFNLNNWJW-PMPSAXMXSA-N 1 2 380.489 0.927 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCCC ZINC001110183101 1205736402 /nfs/dbraw/zinc/73/64/02/1205736402.db2.gz KJXSEFFNLNNWJW-PMPSAXMXSA-N 1 2 380.489 0.927 20 30 GCEDLO C=CCC1(O)CC[NH+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC001176272936 1205746038 /nfs/dbraw/zinc/74/60/38/1205746038.db2.gz KXJDNSAHKANCKN-UHFFFAOYSA-N 1 2 378.473 0.921 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)OCCc3ccccc31)C2 ZINC001110194996 1205747518 /nfs/dbraw/zinc/74/75/18/1205747518.db2.gz LMSCPOMNQKUTQB-PGVBMLAISA-N 1 2 381.476 0.945 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)OCCc3ccccc31)C2 ZINC001110194996 1205747520 /nfs/dbraw/zinc/74/75/20/1205747520.db2.gz LMSCPOMNQKUTQB-PGVBMLAISA-N 1 2 381.476 0.945 20 30 GCEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC001177128157 1205761496 /nfs/dbraw/zinc/76/14/96/1205761496.db2.gz FVZTUXQGIJBEKJ-INIZCTEOSA-N 1 2 394.497 0.719 20 30 GCEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC001177128157 1205761497 /nfs/dbraw/zinc/76/14/97/1205761497.db2.gz FVZTUXQGIJBEKJ-INIZCTEOSA-N 1 2 394.497 0.719 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC(N)=O)C3)c1 ZINC001110199905 1205762209 /nfs/dbraw/zinc/76/22/09/1205762209.db2.gz UUDDRDDSSDYJSY-SQNIBIBYSA-N 1 2 382.464 0.984 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC(N)=O)C3)c1 ZINC001110199905 1205762214 /nfs/dbraw/zinc/76/22/14/1205762214.db2.gz UUDDRDDSSDYJSY-SQNIBIBYSA-N 1 2 382.464 0.984 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(F)c(F)c1)C2 ZINC001110205323 1205768361 /nfs/dbraw/zinc/76/83/61/1205768361.db2.gz MZRZNLHEPLTOHZ-DQYPLSBCSA-N 1 2 377.391 0.815 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccc(F)c(F)c1)C2 ZINC001110205323 1205768363 /nfs/dbraw/zinc/76/83/63/1205768363.db2.gz MZRZNLHEPLTOHZ-DQYPLSBCSA-N 1 2 377.391 0.815 20 30 GCEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)Cc1ccnc(C#N)c1 ZINC001177667470 1205773598 /nfs/dbraw/zinc/77/35/98/1205773598.db2.gz UYUPZVAJPIDSHM-FXAWDEMLSA-N 1 2 386.452 0.751 20 30 GCEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)Cc1ccnc(C#N)c1 ZINC001177667476 1205773723 /nfs/dbraw/zinc/77/37/23/1205773723.db2.gz UYUPZVAJPIDSHM-YLJYHZDGSA-N 1 2 386.452 0.751 20 30 GCEDLO COc1nc(C(=NC(=O)CN2CC[NH+](C)CC2)NO)ccc1-n1cnc(C)c1 ZINC001178956178 1205797847 /nfs/dbraw/zinc/79/78/47/1205797847.db2.gz LMRIRLBGKGKGDK-UHFFFAOYSA-N 1 2 387.444 0.084 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C#Cc3ccc(OC)cc3)C2)C1 ZINC001182046096 1205854288 /nfs/dbraw/zinc/85/42/88/1205854288.db2.gz DWNMUKAKKRODDD-JOCHJYFZSA-N 1 2 399.491 0.734 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C#Cc3ccc(OC)cc3)C2)C1 ZINC001182046096 1205854290 /nfs/dbraw/zinc/85/42/90/1205854290.db2.gz DWNMUKAKKRODDD-JOCHJYFZSA-N 1 2 399.491 0.734 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnsn1)C2 ZINC001110325092 1205883114 /nfs/dbraw/zinc/88/31/14/1205883114.db2.gz SSRMPKDMHWBBND-UZWSLXQKSA-N 1 2 378.458 0.274 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnsn1)C2 ZINC001110325092 1205883115 /nfs/dbraw/zinc/88/31/15/1205883115.db2.gz SSRMPKDMHWBBND-UZWSLXQKSA-N 1 2 378.458 0.274 20 30 GCEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001183832993 1205901178 /nfs/dbraw/zinc/90/11/78/1205901178.db2.gz ZHMDEGVWBJVZML-OALUTQOASA-N 1 2 382.464 0.982 20 30 GCEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001183832993 1205901179 /nfs/dbraw/zinc/90/11/79/1205901179.db2.gz ZHMDEGVWBJVZML-OALUTQOASA-N 1 2 382.464 0.982 20 30 GCEDLO CCOC(=O)[C@H](C#N)NC(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184360825 1205908079 /nfs/dbraw/zinc/90/80/79/1205908079.db2.gz RTZJIJCZGUMTGF-AWEZNQCLSA-N 1 2 387.392 0.810 20 30 GCEDLO CCOC(=O)[C@H](C#N)NC(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O ZINC001184360825 1205908080 /nfs/dbraw/zinc/90/80/80/1205908080.db2.gz RTZJIJCZGUMTGF-AWEZNQCLSA-N 1 2 387.392 0.810 20 30 GCEDLO CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1 ZINC001184378683 1205908669 /nfs/dbraw/zinc/90/86/69/1205908669.db2.gz CDIAUFJEKVKWQF-HOTGVXAUSA-N 1 2 397.391 0.897 20 30 GCEDLO CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CN(c2cccc(C#N)c2)C(=O)O1 ZINC001184378683 1205908671 /nfs/dbraw/zinc/90/86/71/1205908671.db2.gz CDIAUFJEKVKWQF-HOTGVXAUSA-N 1 2 397.391 0.897 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 ZINC001185095140 1205916531 /nfs/dbraw/zinc/91/65/31/1205916531.db2.gz YDPSILJAQCCLNI-UHFFFAOYSA-N 1 2 397.464 0.940 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCCCC)C2 ZINC001110364746 1205924737 /nfs/dbraw/zinc/92/47/37/1205924737.db2.gz HUPYZAYRGFTPBF-JJXSEGSLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCCCC)C2 ZINC001110364746 1205924739 /nfs/dbraw/zinc/92/47/39/1205924739.db2.gz HUPYZAYRGFTPBF-JJXSEGSLSA-N 1 2 380.489 0.925 20 30 GCEDLO COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)c1 ZINC001189375771 1206003146 /nfs/dbraw/zinc/00/31/46/1206003146.db2.gz SYNKCBYLQNMJSJ-GDAAHCPNSA-N 1 2 382.464 0.971 20 30 GCEDLO COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)c1 ZINC001189375771 1206003150 /nfs/dbraw/zinc/00/31/50/1206003150.db2.gz SYNKCBYLQNMJSJ-GDAAHCPNSA-N 1 2 382.464 0.971 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccon1)C2 ZINC001110414567 1206013994 /nfs/dbraw/zinc/01/39/94/1206013994.db2.gz YDBNQCUSEOOIRL-MYPMTAMASA-N 1 2 375.429 0.339 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccon1)C2 ZINC001110414567 1206013996 /nfs/dbraw/zinc/01/39/96/1206013996.db2.gz YDBNQCUSEOOIRL-MYPMTAMASA-N 1 2 375.429 0.339 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cccc(C#N)c3F)C2)C1 ZINC001190536717 1206038458 /nfs/dbraw/zinc/03/84/58/1206038458.db2.gz WVGUJGCAVILRMH-HXUWFJFHSA-N 1 2 388.443 0.998 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cccc(C#N)c3F)C2)C1 ZINC001190536717 1206038461 /nfs/dbraw/zinc/03/84/61/1206038461.db2.gz WVGUJGCAVILRMH-HXUWFJFHSA-N 1 2 388.443 0.998 20 30 GCEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C#N)c(OC)n1 ZINC001164697257 719846246 /nfs/dbraw/zinc/84/62/46/719846246.db2.gz CEPUOOPELWVLNJ-KDOFPFPSSA-N 1 2 375.429 0.590 20 30 GCEDLO Cc1cnc(N2CCc3c(n(C)nc3C(=O)N3CC[NH+](C)CC3)C2)c(C=NO)c1 ZINC001164708037 719917735 /nfs/dbraw/zinc/91/77/35/719917735.db2.gz AWAYDXONERQGJP-UHFFFAOYSA-N 1 2 397.483 0.882 20 30 GCEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(C#N)n1)C2 ZINC001164822734 720437468 /nfs/dbraw/zinc/43/74/68/720437468.db2.gz HJJLBIVXHPLQOP-OAHLLOKOSA-N 1 2 383.456 0.534 20 30 GCEDLO Cc1nc(C#N)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829163 720467406 /nfs/dbraw/zinc/46/74/06/720467406.db2.gz CVBSZFVQQFDAKN-MRXNPFEDSA-N 1 2 397.483 0.843 20 30 GCEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001571272059 945653953 /nfs/dbraw/zinc/65/39/53/945653953.db2.gz OAKSVIXZDKSZNT-GFCCVEGCSA-N 1 2 386.485 0.416 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCNc1ccc(-c2nn[nH]n2)nn1 ZINC001573285135 946767257 /nfs/dbraw/zinc/76/72/57/946767257.db2.gz DMIIGFAEQZHOJD-ZFWWWQNUSA-N 1 2 383.460 0.451 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCNc1ccc(-c2nn[nH]n2)nn1 ZINC001573285135 946767262 /nfs/dbraw/zinc/76/72/62/946767262.db2.gz DMIIGFAEQZHOJD-ZFWWWQNUSA-N 1 2 383.460 0.451 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001573285104 946768802 /nfs/dbraw/zinc/76/88/02/946768802.db2.gz CVZIYDWFRQQZHE-KGLIPLIRSA-N 1 2 381.444 0.157 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[nH]n2)C1 ZINC001573285104 946768811 /nfs/dbraw/zinc/76/88/11/946768811.db2.gz CVZIYDWFRQQZHE-KGLIPLIRSA-N 1 2 381.444 0.157 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC(n2cc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)nn2)C1 ZINC001573561637 946964523 /nfs/dbraw/zinc/96/45/23/946964523.db2.gz LRKZNENIEQXJHA-GFCCVEGCSA-N 1 2 392.427 0.291 20 30 GCEDLO C=C(Cl)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573296131 947041245 /nfs/dbraw/zinc/04/12/45/947041245.db2.gz ZNMRUJNBXKIWIO-CYBMUJFWSA-N 1 2 379.852 0.846 20 30 GCEDLO C=C(Cl)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573296131 947041249 /nfs/dbraw/zinc/04/12/49/947041249.db2.gz ZNMRUJNBXKIWIO-CYBMUJFWSA-N 1 2 379.852 0.846 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001573570777 947094796 /nfs/dbraw/zinc/09/47/96/947094796.db2.gz TXGSOARYLFGWJH-HIFRSBDPSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573573111 947119619 /nfs/dbraw/zinc/11/96/19/947119619.db2.gz MPJJWPABMYUYOE-BDJLRTHQSA-N 1 2 375.458 0.531 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573573111 947119624 /nfs/dbraw/zinc/11/96/24/947119624.db2.gz MPJJWPABMYUYOE-BDJLRTHQSA-N 1 2 375.458 0.531 20 30 GCEDLO N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000826383316 948182798 /nfs/dbraw/zinc/18/27/98/948182798.db2.gz VFALOKRTYCTHKS-UHFFFAOYSA-N 1 2 383.441 0.341 20 30 GCEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)cc1 ZINC001119100646 969669397 /nfs/dbraw/zinc/66/93/97/969669397.db2.gz PRYGLNHCRPUSHJ-UHFFFAOYSA-N 1 2 385.468 0.934 20 30 GCEDLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)o1 ZINC000286497757 530166695 /nfs/dbraw/zinc/16/66/95/530166695.db2.gz DEHNPWGIXSIXKP-CYBMUJFWSA-N 1 2 389.499 0.671 20 30 GCEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000287112462 530222565 /nfs/dbraw/zinc/22/25/65/530222565.db2.gz ZNOXBLRUEZCELM-NSHDSACASA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000287112462 530222567 /nfs/dbraw/zinc/22/25/67/530222567.db2.gz ZNOXBLRUEZCELM-NSHDSACASA-N 1 2 387.303 0.845 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000564471696 530238896 /nfs/dbraw/zinc/23/88/96/530238896.db2.gz ZGVVXBGJPFGQPQ-CYBMUJFWSA-N 1 2 386.499 0.155 20 30 GCEDLO N#Cc1ccc(OCC(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1Br ZINC000450209570 530247237 /nfs/dbraw/zinc/24/72/37/530247237.db2.gz WZDFASQDESCLOF-UHFFFAOYSA-N 1 2 395.257 0.638 20 30 GCEDLO N#Cc1ccc(OCC(=O)NCCC[N@H+]2CCNC(=O)C2)cc1Br ZINC000450209570 530247239 /nfs/dbraw/zinc/24/72/39/530247239.db2.gz WZDFASQDESCLOF-UHFFFAOYSA-N 1 2 395.257 0.638 20 30 GCEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000329371508 530286272 /nfs/dbraw/zinc/28/62/72/530286272.db2.gz MGEJUTFMUFXRBJ-SNVBAGLBSA-N 1 2 380.923 0.882 20 30 GCEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000329371508 530286273 /nfs/dbraw/zinc/28/62/73/530286273.db2.gz MGEJUTFMUFXRBJ-SNVBAGLBSA-N 1 2 380.923 0.882 20 30 GCEDLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)s2)cn1 ZINC000435484571 530256050 /nfs/dbraw/zinc/25/60/50/530256050.db2.gz XDBOFJMWAVHMJL-UHFFFAOYSA-N 1 2 382.471 0.295 20 30 GCEDLO Cn1cc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1C#N ZINC000480263933 530295753 /nfs/dbraw/zinc/29/57/53/530295753.db2.gz ZUJLVVCMKAEVQY-UHFFFAOYSA-N 1 2 379.408 0.847 20 30 GCEDLO C=CCCSCCNC(=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000597218852 530456928 /nfs/dbraw/zinc/45/69/28/530456928.db2.gz ZAMGXHUESWOEEP-QGZVFWFLSA-N 1 2 387.571 0.736 20 30 GCEDLO N#C[C@@H]1CN(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCO1 ZINC000601516705 530478289 /nfs/dbraw/zinc/47/82/89/530478289.db2.gz UCDUAAIKIRGGOU-CQSZACIVSA-N 1 2 383.499 0.194 20 30 GCEDLO C[C@H]([C@H](C)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000330632820 530523254 /nfs/dbraw/zinc/52/32/54/530523254.db2.gz IVBDJTKFTKOORC-RRFJBIMHSA-N 1 2 376.523 0.271 20 30 GCEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000328762650 530517802 /nfs/dbraw/zinc/51/78/02/530517802.db2.gz YWTLCURNCHRSNP-ZDUSSCGKSA-N 1 2 389.499 0.404 20 30 GCEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000328762650 530517803 /nfs/dbraw/zinc/51/78/03/530517803.db2.gz YWTLCURNCHRSNP-ZDUSSCGKSA-N 1 2 389.499 0.404 20 30 GCEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330379796 530519403 /nfs/dbraw/zinc/51/94/03/530519403.db2.gz UAFNMGLXGZGYGV-LSDHHAIUSA-N 1 2 376.548 0.510 20 30 GCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCO1 ZINC000330452616 530519902 /nfs/dbraw/zinc/51/99/02/530519902.db2.gz UYNMTYVJNCPYKZ-CQSZACIVSA-N 1 2 376.523 0.272 20 30 GCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCO1 ZINC000330452616 530519904 /nfs/dbraw/zinc/51/99/04/530519904.db2.gz UYNMTYVJNCPYKZ-CQSZACIVSA-N 1 2 376.523 0.272 20 30 GCEDLO C#CCNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000293464587 530566438 /nfs/dbraw/zinc/56/64/38/530566438.db2.gz LJSNXBONMFINLX-UHFFFAOYSA-N 1 2 375.903 0.847 20 30 GCEDLO C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2c[nH+]cn2C)cc1 ZINC000569120684 530567061 /nfs/dbraw/zinc/56/70/61/530567061.db2.gz MZYHCJJPPFYOEL-NSHDSACASA-N 1 2 383.455 0.089 20 30 GCEDLO C[C@](O)(CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C[NH+]1CCOCC1 ZINC000451238104 530575748 /nfs/dbraw/zinc/57/57/48/530575748.db2.gz CUPSYOGWVOFFIL-INIZCTEOSA-N 1 2 387.889 0.768 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC(C)(C)C#N)c2)CC1 ZINC000574585106 530592588 /nfs/dbraw/zinc/59/25/88/530592588.db2.gz SXBKXNSQLHMCKF-UHFFFAOYSA-N 1 2 386.499 0.203 20 30 GCEDLO CC1(C#N)CN(S(=O)(=O)c2ccc(S(=O)(=O)Nc3c[nH+]c[nH]3)cc2)C1 ZINC000576172067 530606550 /nfs/dbraw/zinc/60/65/50/530606550.db2.gz CLIKPYOOSFHDET-UHFFFAOYSA-N 1 2 381.439 0.745 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000349466891 530642674 /nfs/dbraw/zinc/64/26/74/530642674.db2.gz RGSLRIUKRPDAGC-RBSFLKMASA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000349466891 530642676 /nfs/dbraw/zinc/64/26/76/530642676.db2.gz RGSLRIUKRPDAGC-RBSFLKMASA-N 1 2 394.563 0.198 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000349539311 530681292 /nfs/dbraw/zinc/68/12/92/530681292.db2.gz VUGAIVMHUXCKSU-XQQFMLRXSA-N 1 2 389.503 0.372 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000349500496 530659603 /nfs/dbraw/zinc/65/96/03/530659603.db2.gz DZWMXXCUWBLSJP-QLFBSQMISA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000349500496 530659605 /nfs/dbraw/zinc/65/96/05/530659605.db2.gz DZWMXXCUWBLSJP-QLFBSQMISA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000578643207 530734371 /nfs/dbraw/zinc/73/43/71/530734371.db2.gz QSYDPLYDEZQQHQ-UHFFFAOYSA-N 1 2 386.499 0.251 20 30 GCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000064432507 530787203 /nfs/dbraw/zinc/78/72/03/530787203.db2.gz VWFPFKKPDNTFJF-UHFFFAOYSA-N 1 2 385.511 0.267 20 30 GCEDLO C[NH+](C)Cc1csc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000412421688 530833959 /nfs/dbraw/zinc/83/39/59/530833959.db2.gz IVHZWZXOSWHXJS-UHFFFAOYSA-N 1 2 379.467 0.993 20 30 GCEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651787 530823938 /nfs/dbraw/zinc/82/39/38/530823938.db2.gz SCZSPDWSOHOIPI-LLVKDONJSA-N 1 2 386.271 0.760 20 30 GCEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651787 530823941 /nfs/dbraw/zinc/82/39/41/530823941.db2.gz SCZSPDWSOHOIPI-LLVKDONJSA-N 1 2 386.271 0.760 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000377209983 530824016 /nfs/dbraw/zinc/82/40/16/530824016.db2.gz YESPOHKNAYYRRY-INIZCTEOSA-N 1 2 375.535 0.783 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000377209983 530824019 /nfs/dbraw/zinc/82/40/19/530824019.db2.gz YESPOHKNAYYRRY-INIZCTEOSA-N 1 2 375.535 0.783 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000173080671 530848040 /nfs/dbraw/zinc/84/80/40/530848040.db2.gz IUQSRTNOGRBGBE-UHFFFAOYSA-N 1 2 381.274 0.685 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000173080671 530848043 /nfs/dbraw/zinc/84/80/43/530848043.db2.gz IUQSRTNOGRBGBE-UHFFFAOYSA-N 1 2 381.274 0.685 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000175294700 530849194 /nfs/dbraw/zinc/84/91/94/530849194.db2.gz PMLIBFILOGMDGG-UHFFFAOYSA-N 1 2 384.889 0.322 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000175294700 530849197 /nfs/dbraw/zinc/84/91/97/530849197.db2.gz PMLIBFILOGMDGG-UHFFFAOYSA-N 1 2 384.889 0.322 20 30 GCEDLO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1Br ZINC000293023707 530928862 /nfs/dbraw/zinc/92/88/62/530928862.db2.gz ASYRSWNGQRWOBF-UHFFFAOYSA-N 1 2 381.230 0.396 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000277533190 531009235 /nfs/dbraw/zinc/00/92/35/531009235.db2.gz QVOZDBGNAILCHK-UHFFFAOYSA-N 1 2 382.262 0.080 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)nn2C)CC1 ZINC000277533190 531009237 /nfs/dbraw/zinc/00/92/37/531009237.db2.gz QVOZDBGNAILCHK-UHFFFAOYSA-N 1 2 382.262 0.080 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000735381777 598408064 /nfs/dbraw/zinc/40/80/64/598408064.db2.gz QVANUWUEJIHXLB-AWEZNQCLSA-N 1 2 396.455 0.478 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000735381777 598408066 /nfs/dbraw/zinc/40/80/66/598408066.db2.gz QVANUWUEJIHXLB-AWEZNQCLSA-N 1 2 396.455 0.478 20 30 GCEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000822810976 607388357 /nfs/dbraw/zinc/38/83/57/607388357.db2.gz QBPYBHBSELMHOF-UHFFFAOYSA-N 1 2 381.444 0.562 20 30 GCEDLO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cc(-c2nn[nH]n2)cs1 ZINC000823732946 606205330 /nfs/dbraw/zinc/20/53/30/606205330.db2.gz QJJDIVFURNUAOM-UHFFFAOYSA-N 1 2 380.503 0.449 20 30 GCEDLO Cc1cc(C)n(N=Cc2cnc(N3CC[NH+](C)CC3)nc2)c(=O)c1-c1nn[nH]n1 ZINC000826265482 607885447 /nfs/dbraw/zinc/88/54/47/607885447.db2.gz AQIHPAUCOZIBNM-UHFFFAOYSA-N 1 2 394.443 0.069 20 30 GCEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NCc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000824352803 607887307 /nfs/dbraw/zinc/88/73/07/607887307.db2.gz OLXWFGDSWXEXKI-UHFFFAOYSA-N 1 2 397.447 0.966 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(Br)c2)CC1 ZINC000128672786 641636439 /nfs/dbraw/zinc/63/64/39/641636439.db2.gz YYVYQMRFLIIRKS-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(Br)c2)CC1 ZINC000128672786 641636445 /nfs/dbraw/zinc/63/64/45/641636445.db2.gz YYVYQMRFLIIRKS-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO N#C[C@]12CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C[C@@H]1CS(=O)(=O)C2 ZINC000886210667 641837793 /nfs/dbraw/zinc/83/77/93/641837793.db2.gz ZNGOICNAYLHNIG-NQBHXWOUSA-N 1 2 376.360 0.773 20 30 GCEDLO C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000848966784 642608872 /nfs/dbraw/zinc/60/88/72/642608872.db2.gz AVZVBSIPZLMZGW-UHFFFAOYSA-N 1 2 386.499 0.366 20 30 GCEDLO CCOC(=O)CO/N=C(/C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1)c1cc[nH]n1 ZINC000278876409 1192319284 /nfs/dbraw/zinc/31/92/84/1192319284.db2.gz YDDQAQZVTCKVEZ-UURQHJBYSA-N 1 2 383.474 0.198 20 30 GCEDLO CCOC(=O)CO/N=C(/C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1)c1cc[nH]n1 ZINC000278876394 1192319471 /nfs/dbraw/zinc/31/94/71/1192319471.db2.gz YDDQAQZVTCKVEZ-FXSDRVPOSA-N 1 2 383.474 0.198 20 30 GCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000585731158 1192401158 /nfs/dbraw/zinc/40/11/58/1192401158.db2.gz XEWSJUTXVLQBSM-AWEZNQCLSA-N 1 2 381.440 0.440 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000279287254 1192500680 /nfs/dbraw/zinc/50/06/80/1192500680.db2.gz LCTKDNHKQLKDQV-IYBDPMFKSA-N 1 2 393.509 0.779 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000279287254 1192500683 /nfs/dbraw/zinc/50/06/83/1192500683.db2.gz LCTKDNHKQLKDQV-IYBDPMFKSA-N 1 2 393.509 0.779 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000279310507 1192515266 /nfs/dbraw/zinc/51/52/66/1192515266.db2.gz NKAPTBUTMBTYSB-HNNXBMFYSA-N 1 2 394.497 0.671 20 30 GCEDLO C#CCN(C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)C1CC1 ZINC000784918484 1184161928 /nfs/dbraw/zinc/16/19/28/1184161928.db2.gz SHXQEBBQCGGVRI-UHFFFAOYSA-N 1 2 382.464 0.913 20 30 GCEDLO COc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)cc1C#N ZINC001083194651 1184523874 /nfs/dbraw/zinc/52/38/74/1184523874.db2.gz BQQMLOHIXLWTCO-MUQADHOPSA-N 1 2 384.436 0.100 20 30 GCEDLO COc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)cc1C#N ZINC001083194651 1184523880 /nfs/dbraw/zinc/52/38/80/1184523880.db2.gz BQQMLOHIXLWTCO-MUQADHOPSA-N 1 2 384.436 0.100 20 30 GCEDLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000328602862 1184575105 /nfs/dbraw/zinc/57/51/05/1184575105.db2.gz HHOONRPVZDCCAE-IYBDPMFKSA-N 1 2 397.497 0.355 20 30 GCEDLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000328602862 1184575111 /nfs/dbraw/zinc/57/51/11/1184575111.db2.gz HHOONRPVZDCCAE-IYBDPMFKSA-N 1 2 397.497 0.355 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001083198822 1184676736 /nfs/dbraw/zinc/67/67/36/1184676736.db2.gz SJWURCIYKRROAH-VSZNYVQBSA-N 1 2 377.485 0.502 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]21 ZINC001083198822 1184676737 /nfs/dbraw/zinc/67/67/37/1184676737.db2.gz SJWURCIYKRROAH-VSZNYVQBSA-N 1 2 377.485 0.502 20 30 GCEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000275586953 1184761365 /nfs/dbraw/zinc/76/13/65/1184761365.db2.gz GDHZEKALSZVJAJ-LLVKDONJSA-N 1 2 382.367 0.623 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1O ZINC000970712084 1184981298 /nfs/dbraw/zinc/98/12/98/1184981298.db2.gz RUHIJNCYHODSLZ-WCVJEAGWSA-N 1 2 376.457 0.206 20 30 GCEDLO Cn1c[nH+]cc1CNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 ZINC000580581408 1185281397 /nfs/dbraw/zinc/28/13/97/1185281397.db2.gz JMRJTZOFBBHKJX-UHFFFAOYSA-N 1 2 397.482 0.479 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001111488766 1185303543 /nfs/dbraw/zinc/30/35/43/1185303543.db2.gz UNTGOQVYPJMYMN-YJNKXOJESA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001111488766 1185303549 /nfs/dbraw/zinc/30/35/49/1185303549.db2.gz UNTGOQVYPJMYMN-YJNKXOJESA-N 1 2 380.489 0.923 20 30 GCEDLO COC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(C#N)n1 ZINC000580741912 1185326023 /nfs/dbraw/zinc/32/60/23/1185326023.db2.gz DTFPGQMMDWDWBR-UHFFFAOYSA-N 1 2 378.396 0.743 20 30 GCEDLO CC1(C)C[N@H+](CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000581101748 1185499028 /nfs/dbraw/zinc/49/90/28/1185499028.db2.gz PIMLDZYAQULDOI-UHFFFAOYSA-N 1 2 380.470 0.064 20 30 GCEDLO CC1(C)C[N@@H+](CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC000581101748 1185499032 /nfs/dbraw/zinc/49/90/32/1185499032.db2.gz PIMLDZYAQULDOI-UHFFFAOYSA-N 1 2 380.470 0.064 20 30 GCEDLO Cc1nsc(N2CCN(C(=O)NCC[N@H+]3CCOC[C@@H]3C)CC2)c1C#N ZINC000581164517 1185520479 /nfs/dbraw/zinc/52/04/79/1185520479.db2.gz QJEWQQJYZFTBDR-ZDUSSCGKSA-N 1 2 378.502 0.876 20 30 GCEDLO Cc1nsc(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@@H]3C)CC2)c1C#N ZINC000581164517 1185520484 /nfs/dbraw/zinc/52/04/84/1185520484.db2.gz QJEWQQJYZFTBDR-ZDUSSCGKSA-N 1 2 378.502 0.876 20 30 GCEDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CS(N)(=O)=O ZINC001687335307 1185777250 /nfs/dbraw/zinc/77/72/50/1185777250.db2.gz ZPXNXDWSKBWHGN-UHFFFAOYSA-N 1 2 393.513 0.700 20 30 GCEDLO CCOC(=O)CON=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccn[nH]1 ZINC000276580301 1185914996 /nfs/dbraw/zinc/91/49/96/1185914996.db2.gz LYPHTDNISTZQDF-OQKWZONESA-N 1 2 386.412 0.437 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([S@](C)(=O)=NC)c2)C1 ZINC000891603009 1185937386 /nfs/dbraw/zinc/93/73/86/1185937386.db2.gz MRWINVVSCNYUIH-WZQKQDCOSA-N 1 2 376.482 0.925 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([S@](C)(=O)=NC)c2)C1 ZINC000891603009 1185937389 /nfs/dbraw/zinc/93/73/89/1185937389.db2.gz MRWINVVSCNYUIH-WZQKQDCOSA-N 1 2 376.482 0.925 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([S@@](C)(=O)=NC)c2)C1 ZINC000891603004 1185937412 /nfs/dbraw/zinc/93/74/12/1185937412.db2.gz MRWINVVSCNYUIH-PVPMGCCUSA-N 1 2 376.482 0.925 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([S@@](C)(=O)=NC)c2)C1 ZINC000891603004 1185937413 /nfs/dbraw/zinc/93/74/13/1185937413.db2.gz MRWINVVSCNYUIH-PVPMGCCUSA-N 1 2 376.482 0.925 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)C1 ZINC000891607605 1185938191 /nfs/dbraw/zinc/93/81/91/1185938191.db2.gz VGINROVGKXJLBI-NSHDSACASA-N 1 2 379.363 0.904 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)C1 ZINC000891607605 1185938194 /nfs/dbraw/zinc/93/81/94/1185938194.db2.gz VGINROVGKXJLBI-NSHDSACASA-N 1 2 379.363 0.904 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)C1 ZINC000891607715 1185938355 /nfs/dbraw/zinc/93/83/55/1185938355.db2.gz QPKZCBPFUMPWII-RHSMWYFYSA-N 1 2 386.452 0.812 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)C1 ZINC000891607715 1185938357 /nfs/dbraw/zinc/93/83/57/1185938357.db2.gz QPKZCBPFUMPWII-RHSMWYFYSA-N 1 2 386.452 0.812 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000891605770 1185939173 /nfs/dbraw/zinc/93/91/73/1185939173.db2.gz HWQZTIJMPNTNCI-CYBMUJFWSA-N 1 2 399.419 0.835 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CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000377898245 1189366589 /nfs/dbraw/zinc/36/65/89/1189366589.db2.gz ORZCLFQUNCAVKV-UHFFFAOYSA-N 1 2 397.439 0.258 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)CCN2CC[NH+](CC3CCOCC3)CC2)nc1 ZINC000290392954 1189378060 /nfs/dbraw/zinc/37/80/60/1189378060.db2.gz SIYLAEVOGYWQMH-UHFFFAOYSA-N 1 2 378.498 0.771 20 30 GCEDLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290397490 1189383371 /nfs/dbraw/zinc/38/33/71/1189383371.db2.gz SRHATIQMEIRDAE-GOEBONIOSA-N 1 2 394.497 0.590 20 30 GCEDLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290397490 1189383376 /nfs/dbraw/zinc/38/33/76/1189383376.db2.gz SRHATIQMEIRDAE-GOEBONIOSA-N 1 2 394.497 0.590 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000363944430 1189583097 /nfs/dbraw/zinc/58/30/97/1189583097.db2.gz ZWVRKALXDVCFQA-INIZCTEOSA-N 1 2 377.466 0.145 20 30 GCEDLO CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1 ZINC000584790200 1189664797 /nfs/dbraw/zinc/66/47/97/1189664797.db2.gz JUCICQGQPCUJPW-UHFFFAOYSA-N 1 2 397.482 0.396 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(COC)n1)C2 ZINC001111494545 1189795882 /nfs/dbraw/zinc/79/58/82/1189795882.db2.gz VURNWNVMNCVVBX-BHPKHCPMSA-N 1 2 376.482 0.763 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(COC)n1)C2 ZINC001111494545 1189795884 /nfs/dbraw/zinc/79/58/84/1189795884.db2.gz VURNWNVMNCVVBX-BHPKHCPMSA-N 1 2 376.482 0.763 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2 ZINC001111522525 1193911870 /nfs/dbraw/zinc/91/18/70/1193911870.db2.gz FTGZZLIRHMIHLB-XDNAFOTISA-N 1 2 376.501 0.398 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2 ZINC001111522525 1193911872 /nfs/dbraw/zinc/91/18/72/1193911872.db2.gz FTGZZLIRHMIHLB-XDNAFOTISA-N 1 2 376.501 0.398 20 30 GCEDLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000366423063 1194064307 /nfs/dbraw/zinc/06/43/07/1194064307.db2.gz UKNWNBDZKPWIBF-CQSZACIVSA-N 1 2 376.442 0.118 20 30 GCEDLO Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000366423063 1194064311 /nfs/dbraw/zinc/06/43/11/1194064311.db2.gz UKNWNBDZKPWIBF-CQSZACIVSA-N 1 2 376.442 0.118 20 30 GCEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366551798 1194209982 /nfs/dbraw/zinc/20/99/82/1194209982.db2.gz AKIDRFRXXYHVPY-ZBFHGGJFSA-N 1 2 385.472 0.432 20 30 GCEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366551798 1194209987 /nfs/dbraw/zinc/20/99/87/1194209987.db2.gz AKIDRFRXXYHVPY-ZBFHGGJFSA-N 1 2 385.472 0.432 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1OCC ZINC000983103865 1194468761 /nfs/dbraw/zinc/46/87/61/1194468761.db2.gz DOUKNZFMLLHPDM-ZJPYXAASSA-N 1 2 390.484 0.844 20 30 GCEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273344040 1194556512 /nfs/dbraw/zinc/55/65/12/1194556512.db2.gz OHDXMFRWKFYANT-INIZCTEOSA-N 1 2 378.429 0.882 20 30 GCEDLO C=CCCn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nn1 ZINC000424685627 1194827992 /nfs/dbraw/zinc/82/79/92/1194827992.db2.gz PFEMLBVFBCHSAK-UHFFFAOYSA-N 1 2 398.471 0.443 20 30 GCEDLO C=CCCn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nn1 ZINC000424685627 1194827995 /nfs/dbraw/zinc/82/79/95/1194827995.db2.gz PFEMLBVFBCHSAK-UHFFFAOYSA-N 1 2 398.471 0.443 20 30 GCEDLO Cc1cc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(C#N)cn1 ZINC000425203668 1194870692 /nfs/dbraw/zinc/87/06/92/1194870692.db2.gz FWIBMIWCUYJTSR-UHFFFAOYSA-N 1 2 386.481 0.643 20 30 GCEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000425379310 1194933260 /nfs/dbraw/zinc/93/32/60/1194933260.db2.gz CWAJKCCLEVOBMH-CRAIPNDOSA-N 1 2 388.468 0.229 20 30 GCEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)C1=O ZINC000516669464 1195081349 /nfs/dbraw/zinc/08/13/49/1195081349.db2.gz REMXXNRQXMPBMS-SJORKVTESA-N 1 2 394.516 0.095 20 30 GCEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000516782341 1195094936 /nfs/dbraw/zinc/09/49/36/1195094936.db2.gz OEVYTSBMSLOLAW-AWEZNQCLSA-N 1 2 387.465 0.993 20 30 GCEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000516782341 1195094940 /nfs/dbraw/zinc/09/49/40/1195094940.db2.gz OEVYTSBMSLOLAW-AWEZNQCLSA-N 1 2 387.465 0.993 20 30 GCEDLO C=CCSCC(=O)N1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001270478356 1195312680 /nfs/dbraw/zinc/31/26/80/1195312680.db2.gz AOTHIJXCZPBWLA-SFHVURJKSA-N 1 2 378.498 0.917 20 30 GCEDLO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)nn1-c1cccc(C#N)c1 ZINC000506762572 1195386375 /nfs/dbraw/zinc/38/63/75/1195386375.db2.gz SEKAWAYTSKBHNN-HXUWFJFHSA-N 1 2 383.452 0.865 20 30 GCEDLO C=CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000440295274 1195403221 /nfs/dbraw/zinc/40/32/21/1195403221.db2.gz MTFBDABNGPFZIV-MRXNPFEDSA-N 1 2 393.513 0.190 20 30 GCEDLO C=CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000440295274 1195403223 /nfs/dbraw/zinc/40/32/23/1195403223.db2.gz MTFBDABNGPFZIV-MRXNPFEDSA-N 1 2 393.513 0.190 20 30 GCEDLO CCn1cc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)cn1 ZINC000427468542 1195541874 /nfs/dbraw/zinc/54/18/74/1195541874.db2.gz DTGCDZURJKCIPC-HOTGVXAUSA-N 1 2 380.408 0.955 20 30 GCEDLO CCn1cc(N2C(=O)C[C@H]([N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)cn1 ZINC000427468542 1195541877 /nfs/dbraw/zinc/54/18/77/1195541877.db2.gz DTGCDZURJKCIPC-HOTGVXAUSA-N 1 2 380.408 0.955 20 30 GCEDLO CN(CCC#N)S(=O)(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000520125248 1195599062 /nfs/dbraw/zinc/59/90/62/1195599062.db2.gz QRRABGWHXNGORF-UHFFFAOYSA-N 1 2 382.486 0.577 20 30 GCEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](CNS(N)(=O)=O)C3)o2)c1 ZINC000441298969 1195619861 /nfs/dbraw/zinc/61/98/61/1195619861.db2.gz CARVSAUXKFCVCK-ZDUSSCGKSA-N 1 2 376.442 0.613 20 30 GCEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](CNS(N)(=O)=O)C3)o2)c1 ZINC000441298969 1195619863 /nfs/dbraw/zinc/61/98/63/1195619863.db2.gz CARVSAUXKFCVCK-ZDUSSCGKSA-N 1 2 376.442 0.613 20 30 GCEDLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000328823123 1195667222 /nfs/dbraw/zinc/66/72/22/1195667222.db2.gz RACDFAVXQYXFGK-MRXNPFEDSA-N 1 2 394.497 0.876 20 30 GCEDLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)C1 ZINC000328823123 1195667225 /nfs/dbraw/zinc/66/72/25/1195667225.db2.gz RACDFAVXQYXFGK-MRXNPFEDSA-N 1 2 394.497 0.876 20 30 GCEDLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCOC1 ZINC000328850333 1195670987 /nfs/dbraw/zinc/67/09/87/1195670987.db2.gz UNTSITMRBOEMBK-HNNXBMFYSA-N 1 2 382.486 0.917 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cnns2)CC3)CC1 ZINC000328876825 1195673254 /nfs/dbraw/zinc/67/32/54/1195673254.db2.gz ZZLLPNCNCIOJCU-GFCCVEGCSA-N 1 2 389.485 0.689 20 30 GCEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 ZINC000328921219 1195680227 /nfs/dbraw/zinc/68/02/27/1195680227.db2.gz MAWPFHXKJMKJEZ-OAHLLOKOSA-N 1 2 382.486 0.513 20 30 GCEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 ZINC000328921219 1195680230 /nfs/dbraw/zinc/68/02/30/1195680230.db2.gz MAWPFHXKJMKJEZ-OAHLLOKOSA-N 1 2 382.486 0.513 20 30 GCEDLO C=CCCO[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520685695 1195822784 /nfs/dbraw/zinc/82/27/84/1195822784.db2.gz AJENXELBIBJVFF-MRXNPFEDSA-N 1 2 396.513 0.631 20 30 GCEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000427688893 1195866138 /nfs/dbraw/zinc/86/61/38/1195866138.db2.gz FLDSIFLECODYPE-MRXNPFEDSA-N 1 2 385.468 0.975 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000895917078 1196117952 /nfs/dbraw/zinc/11/79/52/1196117952.db2.gz BFMZMKVEBIFJGN-SFHVURJKSA-N 1 2 379.482 0.440 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000895915867 1196118084 /nfs/dbraw/zinc/11/80/84/1196118084.db2.gz NFQWCDPETQCFNT-UHFFFAOYSA-N 1 2 389.481 0.671 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(COCCOC)cc2)CC1 ZINC000895922248 1196118430 /nfs/dbraw/zinc/11/84/30/1196118430.db2.gz SUHKUKZOTTZQTG-UHFFFAOYSA-N 1 2 381.498 0.435 20 30 GCEDLO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000329159687 1196170255 /nfs/dbraw/zinc/17/02/55/1196170255.db2.gz DWFJGQUTCPSNOW-INIZCTEOSA-N 1 2 382.530 0.994 20 30 GCEDLO CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)CC1 ZINC000329159687 1196170258 /nfs/dbraw/zinc/17/02/58/1196170258.db2.gz DWFJGQUTCPSNOW-INIZCTEOSA-N 1 2 382.530 0.994 20 30 GCEDLO O=C(Cn1cc([NH+]=C([O-])N2CCC[C@H]2Cn2cc[nH+]c2)cn1)N1CCOCC1 ZINC000329189832 1196174071 /nfs/dbraw/zinc/17/40/71/1196174071.db2.gz CEWCQEXBYUJZDS-INIZCTEOSA-N 1 2 387.444 0.649 20 30 GCEDLO CCS(=O)(=O)N1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000329216703 1196176902 /nfs/dbraw/zinc/17/69/02/1196176902.db2.gz OYSCONBDIQMYPZ-GDBMZVCRSA-N 1 2 388.534 0.510 20 30 GCEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[NH+]1CCOCC1 ZINC000329232041 1196178364 /nfs/dbraw/zinc/17/83/64/1196178364.db2.gz LBIAZBJXPDOBFQ-RRFJBIMHSA-N 1 2 388.534 0.556 20 30 GCEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000329239130 1196178740 /nfs/dbraw/zinc/17/87/40/1196178740.db2.gz QCHXATINXSKEGO-FRRDWIJNSA-N 1 2 378.395 0.859 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCN3CCOCC3)ccn2)CC1 ZINC000329268073 1196181377 /nfs/dbraw/zinc/18/13/77/1196181377.db2.gz GIJUGBAUCIWIDD-UHFFFAOYSA-N 1 2 376.461 0.127 20 30 GCEDLO C[C@@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000329631398 1196213238 /nfs/dbraw/zinc/21/32/38/1196213238.db2.gz WOMZSVCEHYWLJG-QGZVFWFLSA-N 1 2 382.486 0.917 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329690132 1196222427 /nfs/dbraw/zinc/22/24/27/1196222427.db2.gz BLWWAQDRISTLCQ-LSDHHAIUSA-N 1 2 388.534 0.510 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329690131 1196222524 /nfs/dbraw/zinc/22/25/24/1196222524.db2.gz BLWWAQDRISTLCQ-HUUCEWRRSA-N 1 2 388.534 0.510 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000329755354 1196229727 /nfs/dbraw/zinc/22/97/27/1196229727.db2.gz LNNBCBUOJJYBFY-IRXDYDNUSA-N 1 2 392.500 0.525 20 30 GCEDLO CC[C@@H]1CCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329803475 1196232194 /nfs/dbraw/zinc/23/21/94/1196232194.db2.gz JSWZJPBJLHXUEQ-HZPDHXFCSA-N 1 2 387.550 0.589 20 30 GCEDLO Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)o1 ZINC000329901561 1196237500 /nfs/dbraw/zinc/23/75/00/1196237500.db2.gz HARKOPKXTKYSTE-QEJZJMRPSA-N 1 2 384.456 0.861 20 30 GCEDLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)cn2)C[C@@H](C)O1 ZINC000330015675 1196246522 /nfs/dbraw/zinc/24/65/22/1196246522.db2.gz OIVCXOPEXWUGLC-IIAWOOMASA-N 1 2 394.476 0.175 20 30 GCEDLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cn2)C[C@@H](C)O1 ZINC000330015675 1196246523 /nfs/dbraw/zinc/24/65/23/1196246523.db2.gz OIVCXOPEXWUGLC-IIAWOOMASA-N 1 2 394.476 0.175 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000330120335 1196254049 /nfs/dbraw/zinc/25/40/49/1196254049.db2.gz IWXWRMVDYYKLHY-WSTZPKSXSA-N 1 2 378.517 0.949 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000330120335 1196254052 /nfs/dbraw/zinc/25/40/52/1196254052.db2.gz IWXWRMVDYYKLHY-WSTZPKSXSA-N 1 2 378.517 0.949 20 30 GCEDLO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+](C3CCOCC3)C[C@@H]1C)CC2 ZINC000330203350 1196259376 /nfs/dbraw/zinc/25/93/76/1196259376.db2.gz ARJUFDPCEUYHKE-LSDHHAIUSA-N 1 2 392.504 0.838 20 30 GCEDLO COCc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+](C3CCOCC3)C[C@@H]1C)CC2 ZINC000330203350 1196259379 /nfs/dbraw/zinc/25/93/79/1196259379.db2.gz ARJUFDPCEUYHKE-LSDHHAIUSA-N 1 2 392.504 0.838 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCC(Cn2cncn2)CC1 ZINC000330229123 1196260473 /nfs/dbraw/zinc/26/04/73/1196260473.db2.gz CUPOWYPLMHFXPO-UHFFFAOYSA-N 1 2 388.476 0.765 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOC2(CCOCC2)C1 ZINC000330270676 1196262749 /nfs/dbraw/zinc/26/27/49/1196262749.db2.gz UPSUPOAVWBASGD-UHFFFAOYSA-N 1 2 379.461 0.642 20 30 GCEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000281728147 1196326501 /nfs/dbraw/zinc/32/65/01/1196326501.db2.gz JSXJQWUSJGQEDP-NVXWUHKLSA-N 1 2 391.472 0.251 20 30 GCEDLO C=CCN1CC[C@@H](N(C)C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000281773911 1196330895 /nfs/dbraw/zinc/33/08/95/1196330895.db2.gz RDDPWSNHTADXFN-QGZVFWFLSA-N 1 2 399.495 0.756 20 30 GCEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000444224302 1196364256 /nfs/dbraw/zinc/36/42/56/1196364256.db2.gz PBKWLCGTEJEXOR-LBPRGKRZSA-N 1 2 382.442 0.932 20 30 GCEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000444224302 1196364260 /nfs/dbraw/zinc/36/42/60/1196364260.db2.gz PBKWLCGTEJEXOR-LBPRGKRZSA-N 1 2 382.442 0.932 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@](C)(C(N)=O)c3ccccc3)CC2)o1 ZINC000101548643 1196377186 /nfs/dbraw/zinc/37/71/86/1196377186.db2.gz UPIPUAZOTULZOP-HXUWFJFHSA-N 1 2 396.451 0.494 20 30 GCEDLO COCc1noc(CN2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000444736335 1196516831 /nfs/dbraw/zinc/51/68/31/1196516831.db2.gz PEGXYPJFYFLLFA-INIZCTEOSA-N 1 2 387.440 0.645 20 30 GCEDLO CCOC1CC(CNC(=O)Nc2ccn(CCC#N)n2)([NH+]2CCOCC2)C1 ZINC000444906860 1196530314 /nfs/dbraw/zinc/53/03/14/1196530314.db2.gz XSZBDYVULVOVAH-UHFFFAOYSA-N 1 2 376.461 1.188 20 30 GCEDLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000022548764 1196704805 /nfs/dbraw/zinc/70/48/05/1196704805.db2.gz CZICQCZEAJDPEH-KRWDZBQOSA-N 1 2 396.513 0.502 20 30 GCEDLO CCN(CC)S(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000022548762 1196704956 /nfs/dbraw/zinc/70/49/56/1196704956.db2.gz CZICQCZEAJDPEH-QGZVFWFLSA-N 1 2 396.513 0.502 20 30 GCEDLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000526135452 1196742454 /nfs/dbraw/zinc/74/24/54/1196742454.db2.gz IZFOHSLVRWQUNV-UHFFFAOYSA-N 1 2 396.435 0.837 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000448967184 1196841862 /nfs/dbraw/zinc/84/18/62/1196841862.db2.gz NXCCUBPLUKUJOM-ZACQAIPSSA-N 1 2 387.484 0.989 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000448967184 1196841866 /nfs/dbraw/zinc/84/18/66/1196841866.db2.gz NXCCUBPLUKUJOM-ZACQAIPSSA-N 1 2 387.484 0.989 20 30 GCEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528350283 1196851830 /nfs/dbraw/zinc/85/18/30/1196851830.db2.gz NAZXFPNLUDUSCI-HNNXBMFYSA-N 1 2 389.477 0.690 20 30 GCEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528350283 1196851833 /nfs/dbraw/zinc/85/18/33/1196851833.db2.gz NAZXFPNLUDUSCI-HNNXBMFYSA-N 1 2 389.477 0.690 20 30 GCEDLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528493435 1196865058 /nfs/dbraw/zinc/86/50/58/1196865058.db2.gz YFZPYDUDSRFJIM-MRXNPFEDSA-N 1 2 382.486 0.158 20 30 GCEDLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528493421 1196865103 /nfs/dbraw/zinc/86/51/03/1196865103.db2.gz YFZPYDUDSRFJIM-INIZCTEOSA-N 1 2 382.486 0.158 20 30 GCEDLO COCc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C#N ZINC000529817327 1196945796 /nfs/dbraw/zinc/94/57/96/1196945796.db2.gz YJTVZWRNPWDESN-QGZVFWFLSA-N 1 2 386.452 0.824 20 30 GCEDLO N#CCC1(CS(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000451142529 1196973117 /nfs/dbraw/zinc/97/31/17/1196973117.db2.gz FZLKGZRSBMFHNA-UHFFFAOYSA-N 1 2 391.497 0.734 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)n(CCC#N)n1 ZINC000532993989 1197424910 /nfs/dbraw/zinc/42/49/10/1197424910.db2.gz AXSRSQWSIZGNIM-HZPDHXFCSA-N 1 2 388.472 0.803 20 30 GCEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC000533462061 1197453040 /nfs/dbraw/zinc/45/30/40/1197453040.db2.gz PPIVCFJRQLQWOH-CQSZACIVSA-N 1 2 390.444 0.140 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 ZINC000273262752 1197563737 /nfs/dbraw/zinc/56/37/37/1197563737.db2.gz CKBLLISLRURXRR-KRWDZBQOSA-N 1 2 386.452 0.147 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 ZINC000273262752 1197563739 /nfs/dbraw/zinc/56/37/39/1197563739.db2.gz CKBLLISLRURXRR-KRWDZBQOSA-N 1 2 386.452 0.147 20 30 GCEDLO C=CCS(=O)(=O)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000272893091 1197565606 /nfs/dbraw/zinc/56/56/06/1197565606.db2.gz XFDWKNPZHZEZIY-ROUUACIJSA-N 1 2 395.525 0.769 20 30 GCEDLO C=CCS(=O)(=O)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000272893091 1197565608 /nfs/dbraw/zinc/56/56/08/1197565608.db2.gz XFDWKNPZHZEZIY-ROUUACIJSA-N 1 2 395.525 0.769 20 30 GCEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000273551872 1197565792 /nfs/dbraw/zinc/56/57/92/1197565792.db2.gz VJPVSEZIIWNXTN-UHFFFAOYSA-N 1 2 378.432 0.556 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CCCO)Cc3ccccn3)CC2)o1 ZINC000554251019 1199048058 /nfs/dbraw/zinc/04/80/58/1199048058.db2.gz KMMRTDNDGTYVCN-UHFFFAOYSA-N 1 2 398.467 0.783 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CCCO)Cc3ccccn3)CC2)o1 ZINC000554251019 1199048066 /nfs/dbraw/zinc/04/80/66/1199048066.db2.gz KMMRTDNDGTYVCN-UHFFFAOYSA-N 1 2 398.467 0.783 20 30 GCEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000123134249 1199060487 /nfs/dbraw/zinc/06/04/87/1199060487.db2.gz HYLVLSLBGXZSAE-CQSZACIVSA-N 1 2 388.497 0.634 20 30 GCEDLO N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCO1 ZINC000499669388 1199541513 /nfs/dbraw/zinc/54/15/13/1199541513.db2.gz UIVUVOUHEVBZJD-KURKYZTESA-N 1 2 392.481 0.041 20 30 GCEDLO N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCO1 ZINC000499669388 1199541517 /nfs/dbraw/zinc/54/15/17/1199541517.db2.gz UIVUVOUHEVBZJD-KURKYZTESA-N 1 2 392.481 0.041 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2CN2CCOCC2)CC1 ZINC000265880025 1199845488 /nfs/dbraw/zinc/84/54/88/1199845488.db2.gz ILFHVZJWXIIATL-UHFFFAOYSA-N 1 2 398.507 0.416 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2CN2CCOCC2)CC1 ZINC000265880025 1199845492 /nfs/dbraw/zinc/84/54/92/1199845492.db2.gz ILFHVZJWXIIATL-UHFFFAOYSA-N 1 2 398.507 0.416 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)CC1 ZINC000173080905 1199888605 /nfs/dbraw/zinc/88/86/05/1199888605.db2.gz VHBTVZMXVMOBCV-MRXNPFEDSA-N 1 2 395.467 0.185 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)CC1 ZINC000173080905 1199888616 /nfs/dbraw/zinc/88/86/16/1199888616.db2.gz VHBTVZMXVMOBCV-MRXNPFEDSA-N 1 2 395.467 0.185 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173080883 1199888864 /nfs/dbraw/zinc/88/88/64/1199888864.db2.gz LBZSYVDJDYKRSP-UHFFFAOYSA-N 1 2 387.440 0.315 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173080883 1199888867 /nfs/dbraw/zinc/88/88/67/1199888867.db2.gz LBZSYVDJDYKRSP-UHFFFAOYSA-N 1 2 387.440 0.315 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2OC)c1 ZINC000946643958 1199911854 /nfs/dbraw/zinc/91/18/54/1199911854.db2.gz HJLDLOLAVUQFOY-YWTNHNAXSA-N 1 2 393.447 0.556 20 30 GCEDLO CCN1C(=O)[C@H]2C[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000625225136 1199920156 /nfs/dbraw/zinc/92/01/56/1199920156.db2.gz UCGJMENMWFOXNB-MRXNPFEDSA-N 1 2 380.404 0.254 20 30 GCEDLO CCN1C(=O)[C@H]2C[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000625225136 1199920157 /nfs/dbraw/zinc/92/01/57/1199920157.db2.gz UCGJMENMWFOXNB-MRXNPFEDSA-N 1 2 380.404 0.254 20 30 GCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)[nH]1 ZINC000132228838 1199961063 /nfs/dbraw/zinc/96/10/63/1199961063.db2.gz WGZGHJXFAOQLFR-OAHLLOKOSA-N 1 2 381.440 0.912 20 30 GCEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)[nH]1 ZINC000132228838 1199961065 /nfs/dbraw/zinc/96/10/65/1199961065.db2.gz WGZGHJXFAOQLFR-OAHLLOKOSA-N 1 2 381.440 0.912 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001083848495 1199997471 /nfs/dbraw/zinc/99/74/71/1199997471.db2.gz GFZWFUYMSAYFNX-RDGPPVDQSA-N 1 2 387.480 0.818 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1O ZINC001083848495 1199997474 /nfs/dbraw/zinc/99/74/74/1199997474.db2.gz GFZWFUYMSAYFNX-RDGPPVDQSA-N 1 2 387.480 0.818 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001083853369 1200142832 /nfs/dbraw/zinc/14/28/32/1200142832.db2.gz QPMHJWYVKVRIOO-DMUMMCEESA-N 1 2 393.528 0.920 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1O ZINC001083853369 1200142838 /nfs/dbraw/zinc/14/28/38/1200142838.db2.gz QPMHJWYVKVRIOO-DMUMMCEESA-N 1 2 393.528 0.920 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1OC ZINC000946819003 1200174853 /nfs/dbraw/zinc/17/48/53/1200174853.db2.gz TZRYKNZTYCSVJS-WCXIOVBPSA-N 1 2 376.457 0.286 20 30 GCEDLO CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448508720 1200665107 /nfs/dbraw/zinc/66/51/07/1200665107.db2.gz WGKMSTFEAHBQTC-UHFFFAOYSA-N 1 2 396.451 0.684 20 30 GCEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329108003 1200743337 /nfs/dbraw/zinc/74/33/37/1200743337.db2.gz IFCPOXRMRLYRSS-CRAIPNDOSA-N 1 2 379.461 0.879 20 30 GCEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)n1 ZINC000378431798 1200778825 /nfs/dbraw/zinc/77/88/25/1200778825.db2.gz OPCITQDYUXJGAK-CVEARBPZSA-N 1 2 388.472 1.034 20 30 GCEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000509355604 1200903681 /nfs/dbraw/zinc/90/36/81/1200903681.db2.gz NCRICYSPUVKYBH-OAHLLOKOSA-N 1 2 394.501 0.189 20 30 GCEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@H](OC)C1 ZINC001081810052 1201303269 /nfs/dbraw/zinc/30/32/69/1201303269.db2.gz GCABJJMRSDKAQE-QVSURHGTSA-N 1 2 389.452 0.686 20 30 GCEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@H](OC)C1 ZINC001081810052 1201303272 /nfs/dbraw/zinc/30/32/72/1201303272.db2.gz GCABJJMRSDKAQE-QVSURHGTSA-N 1 2 389.452 0.686 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1OC ZINC001082149875 1201320888 /nfs/dbraw/zinc/32/08/88/1201320888.db2.gz SPVDKIGROUBRNI-WCXIOVBPSA-N 1 2 388.468 0.966 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1OC ZINC001082149875 1201320895 /nfs/dbraw/zinc/32/08/95/1201320895.db2.gz SPVDKIGROUBRNI-WCXIOVBPSA-N 1 2 388.468 0.966 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]21 ZINC001083084458 1201381028 /nfs/dbraw/zinc/38/10/28/1201381028.db2.gz QPCDDKZSTIGRFL-VSZNYVQBSA-N 1 2 377.485 0.500 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]21 ZINC001083084458 1201381035 /nfs/dbraw/zinc/38/10/35/1201381035.db2.gz QPCDDKZSTIGRFL-VSZNYVQBSA-N 1 2 377.485 0.500 20 30 GCEDLO O=S(=O)(Cc1ccccc1)NN=C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000731557917 1201488345 /nfs/dbraw/zinc/48/83/45/1201488345.db2.gz CMCHJQOAPTUVGK-UHFFFAOYSA-N 1 2 380.514 0.890 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001085054567 1201562461 /nfs/dbraw/zinc/56/24/61/1201562461.db2.gz KNMSFAXZEUNOIU-AESZEHBQSA-N 1 2 375.473 0.512 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001085054567 1201562468 /nfs/dbraw/zinc/56/24/68/1201562468.db2.gz KNMSFAXZEUNOIU-AESZEHBQSA-N 1 2 375.473 0.512 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)Nc2cccc(C)c2)CC1 ZINC000733149529 1201577190 /nfs/dbraw/zinc/57/71/90/1201577190.db2.gz IUULXGDFKGIMPH-UHFFFAOYSA-N 1 2 385.468 0.400 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)Nc2cccc(C)c2)CC1 ZINC000733149529 1201577192 /nfs/dbraw/zinc/57/71/92/1201577192.db2.gz IUULXGDFKGIMPH-UHFFFAOYSA-N 1 2 385.468 0.400 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)CC1 ZINC000733150830 1201577333 /nfs/dbraw/zinc/57/73/33/1201577333.db2.gz XCVUBYQCCVRFBZ-GOSISDBHSA-N 1 2 399.495 0.378 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)CC1 ZINC000733150830 1201577341 /nfs/dbraw/zinc/57/73/41/1201577341.db2.gz XCVUBYQCCVRFBZ-GOSISDBHSA-N 1 2 399.495 0.378 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2c(C)nc3ccnn3c2C)CC1 ZINC000733149950 1201577564 /nfs/dbraw/zinc/57/75/64/1201577564.db2.gz ZOKURPXQDHEICT-UHFFFAOYSA-N 1 2 396.495 0.562 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2c(C)nc3ccnn3c2C)CC1 ZINC000733149950 1201577571 /nfs/dbraw/zinc/57/75/71/1201577571.db2.gz ZOKURPXQDHEICT-UHFFFAOYSA-N 1 2 396.495 0.562 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)N2C(=C)c3ccccc3C2=O)CC1 ZINC000733149683 1201577588 /nfs/dbraw/zinc/57/75/88/1201577588.db2.gz OSXFAWITTDLENL-QGZVFWFLSA-N 1 2 394.475 0.785 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)N2C(=C)c3ccccc3C2=O)CC1 ZINC000733149683 1201577599 /nfs/dbraw/zinc/57/75/99/1201577599.db2.gz OSXFAWITTDLENL-QGZVFWFLSA-N 1 2 394.475 0.785 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)CC1 ZINC000733149023 1201577643 /nfs/dbraw/zinc/57/76/43/1201577643.db2.gz VJIRRGZEVRJOFA-INIZCTEOSA-N 1 2 376.501 0.307 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)CC1 ZINC000733149023 1201577645 /nfs/dbraw/zinc/57/76/45/1201577645.db2.gz VJIRRGZEVRJOFA-INIZCTEOSA-N 1 2 376.501 0.307 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CC1 ZINC000733149767 1201577694 /nfs/dbraw/zinc/57/76/94/1201577694.db2.gz QLHUTMGVZPLPAO-IBGZPJMESA-N 1 2 382.464 0.248 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CC1 ZINC000733149767 1201577696 /nfs/dbraw/zinc/57/76/96/1201577696.db2.gz QLHUTMGVZPLPAO-IBGZPJMESA-N 1 2 382.464 0.248 20 30 GCEDLO C#CC[NH+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C)CC1 ZINC000282570701 1201613370 /nfs/dbraw/zinc/61/33/70/1201613370.db2.gz VSRQEHXFKXJFSB-UHFFFAOYSA-N 1 2 387.513 0.839 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2(C#N)CCC2)CC1 ZINC000736842100 1201717585 /nfs/dbraw/zinc/71/75/85/1201717585.db2.gz TUDVMAQANDXDFS-UHFFFAOYSA-N 1 2 383.412 0.249 20 30 GCEDLO C#Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc1 ZINC000737750247 1201730078 /nfs/dbraw/zinc/73/00/78/1201730078.db2.gz CBEXELQSPXNTST-UHFFFAOYSA-N 1 2 378.436 0.652 20 30 GCEDLO C#Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc1 ZINC000737750247 1201730082 /nfs/dbraw/zinc/73/00/82/1201730082.db2.gz CBEXELQSPXNTST-UHFFFAOYSA-N 1 2 378.436 0.652 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(-c3cnn(C)c3)c2)CC1 ZINC000741686007 1201782990 /nfs/dbraw/zinc/78/29/90/1201782990.db2.gz HJENXIWGOJFDLU-UHFFFAOYSA-N 1 2 379.464 0.984 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(-c3cnn(C)c3)c2)CC1 ZINC000741686007 1201782997 /nfs/dbraw/zinc/78/29/97/1201782997.db2.gz HJENXIWGOJFDLU-UHFFFAOYSA-N 1 2 379.464 0.984 20 30 GCEDLO C[C@H](CC(=O)N[C@H](C)Cn1cc[nH+]c1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742543333 1201800198 /nfs/dbraw/zinc/80/01/98/1201800198.db2.gz FXRPZGSMNYSPGG-CHWSQXEVSA-N 1 2 375.454 0.905 20 30 GCEDLO Cn1cc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)n3CC#N)CC2)cn1 ZINC000744397429 1201841492 /nfs/dbraw/zinc/84/14/92/1201841492.db2.gz LWIADKSMAQIMNL-UHFFFAOYSA-N 1 2 377.452 0.971 20 30 GCEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000746454695 1201924414 /nfs/dbraw/zinc/92/44/14/1201924414.db2.gz FPWSNNSSUUYUFJ-KBPBESRZSA-N 1 2 385.449 0.977 20 30 GCEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000746454695 1201924418 /nfs/dbraw/zinc/92/44/18/1201924418.db2.gz FPWSNNSSUUYUFJ-KBPBESRZSA-N 1 2 385.449 0.977 20 30 GCEDLO C=CCOCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2=O)C1 ZINC001108556326 1201957066 /nfs/dbraw/zinc/95/70/66/1201957066.db2.gz IPAAZLSOAZWLKB-QZFZTSDASA-N 1 2 375.469 0.014 20 30 GCEDLO CCOC1CC(CNc2cccc(S(N)(=O)=O)c2C#N)([NH+]2CCOCC2)C1 ZINC000767431401 1201973348 /nfs/dbraw/zinc/97/33/48/1201973348.db2.gz OPECOCGICHIZET-UHFFFAOYSA-N 1 2 394.497 0.887 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767579484 1201978223 /nfs/dbraw/zinc/97/82/23/1201978223.db2.gz RSKAGBUOBNPKRA-CWRNSKLLSA-N 1 2 393.465 0.631 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767579484 1201978224 /nfs/dbraw/zinc/97/82/24/1201978224.db2.gz RSKAGBUOBNPKRA-CWRNSKLLSA-N 1 2 393.465 0.631 20 30 GCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108956119 1201984554 /nfs/dbraw/zinc/98/45/54/1201984554.db2.gz DTESPONMVFUNSU-GHYVTOPFSA-N 1 2 379.486 0.341 20 30 GCEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCC#N)C2 ZINC001108956119 1201984556 /nfs/dbraw/zinc/98/45/56/1201984556.db2.gz DTESPONMVFUNSU-GHYVTOPFSA-N 1 2 379.486 0.341 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(F)c1)C2 ZINC001109023834 1201989993 /nfs/dbraw/zinc/98/99/93/1201989993.db2.gz FDTLIZSSLIEBQV-RDBSUJKOSA-N 1 2 375.404 0.568 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(F)c1)C2 ZINC001109023834 1201989994 /nfs/dbraw/zinc/98/99/94/1201989994.db2.gz FDTLIZSSLIEBQV-RDBSUJKOSA-N 1 2 375.404 0.568 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC1CCOCC1 ZINC001109037765 1201991784 /nfs/dbraw/zinc/99/17/84/1201991784.db2.gz FZHGILFJAGOMPJ-BGTYHANMSA-N 1 2 379.501 0.984 20 30 GCEDLO C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC1CCOCC1 ZINC001109037765 1201991786 /nfs/dbraw/zinc/99/17/86/1201991786.db2.gz FZHGILFJAGOMPJ-BGTYHANMSA-N 1 2 379.501 0.984 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC=C ZINC001109037886 1201992051 /nfs/dbraw/zinc/99/20/51/1201992051.db2.gz GHUTZDOQYRXIEL-FZKCQIBNSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC=C ZINC001109037886 1201992053 /nfs/dbraw/zinc/99/20/53/1201992053.db2.gz GHUTZDOQYRXIEL-FZKCQIBNSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC001109074149 1201993177 /nfs/dbraw/zinc/99/31/77/1201993177.db2.gz JIGWEQWIMMBEJJ-PMPSAXMXSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC001109074149 1201993178 /nfs/dbraw/zinc/99/31/78/1201993178.db2.gz JIGWEQWIMMBEJJ-PMPSAXMXSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C2 ZINC001109164308 1201999624 /nfs/dbraw/zinc/99/96/24/1201999624.db2.gz IWHNXXROEGLMGS-MMMWYMCRSA-N 1 2 378.473 0.271 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C2 ZINC001109164308 1201999626 /nfs/dbraw/zinc/99/96/26/1201999626.db2.gz IWHNXXROEGLMGS-MMMWYMCRSA-N 1 2 378.473 0.271 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(OC)CCC1)C2 ZINC001109215552 1202005330 /nfs/dbraw/zinc/00/53/30/1202005330.db2.gz LACVNVQDIYHJOC-ILXRZTDVSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(OC)CCC1)C2 ZINC001109215552 1202005333 /nfs/dbraw/zinc/00/53/33/1202005333.db2.gz LACVNVQDIYHJOC-ILXRZTDVSA-N 1 2 378.473 0.679 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc([C@@H](C)OC)n1)C2 ZINC001109291088 1202014261 /nfs/dbraw/zinc/01/42/61/1202014261.db2.gz ISVHVZGTMPKGRX-CXTNEJHOSA-N 1 2 376.482 0.935 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc([C@@H](C)OC)n1)C2 ZINC001109291088 1202014264 /nfs/dbraw/zinc/01/42/64/1202014264.db2.gz ISVHVZGTMPKGRX-CXTNEJHOSA-N 1 2 376.482 0.935 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3ccccc3)cn1)C2 ZINC001109308495 1202016831 /nfs/dbraw/zinc/01/68/31/1202016831.db2.gz VVVZCOHYIXHTQJ-AOIWGVFYSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3ccccc3)cn1)C2 ZINC001109308495 1202016832 /nfs/dbraw/zinc/01/68/32/1202016832.db2.gz VVVZCOHYIXHTQJ-AOIWGVFYSA-N 1 2 377.448 0.957 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)C2 ZINC001109311413 1202017195 /nfs/dbraw/zinc/01/71/95/1202017195.db2.gz QAADOACKYMKVSY-CRWXNKLISA-N 1 2 375.477 0.454 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)C2 ZINC001109311413 1202017196 /nfs/dbraw/zinc/01/71/96/1202017196.db2.gz QAADOACKYMKVSY-CRWXNKLISA-N 1 2 375.477 0.454 20 30 GCEDLO Cc1cc(C(F)F)n(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)n1 ZINC001109329081 1202021661 /nfs/dbraw/zinc/02/16/61/1202021661.db2.gz KVRCWITVWJWBOO-AGIUHOORSA-N 1 2 380.399 0.490 20 30 GCEDLO Cc1cc(C(F)F)n(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)n1 ZINC001109329081 1202021663 /nfs/dbraw/zinc/02/16/63/1202021663.db2.gz KVRCWITVWJWBOO-AGIUHOORSA-N 1 2 380.399 0.490 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3c(=O)o1)C2 ZINC001109338134 1202022143 /nfs/dbraw/zinc/02/21/43/1202022143.db2.gz JYSFWZLFAXXDAJ-KBMXLJTQSA-N 1 2 380.404 0.768 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3c(=O)o1)C2 ZINC001109338134 1202022146 /nfs/dbraw/zinc/02/21/46/1202022146.db2.gz JYSFWZLFAXXDAJ-KBMXLJTQSA-N 1 2 380.404 0.768 20 30 GCEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC)OCC ZINC001109357677 1202024134 /nfs/dbraw/zinc/02/41/34/1202024134.db2.gz UCGVZTNWLTVOIJ-FXUDXRNXSA-N 1 2 380.489 0.925 20 30 GCEDLO C=C(C)[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC)OCC ZINC001109357677 1202024135 /nfs/dbraw/zinc/02/41/35/1202024135.db2.gz UCGVZTNWLTVOIJ-FXUDXRNXSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C2 ZINC001109363338 1202030079 /nfs/dbraw/zinc/03/00/79/1202030079.db2.gz VUIXXISAMNASEE-NCOADZHNSA-N 1 2 376.501 0.515 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C2 ZINC001109363338 1202030081 /nfs/dbraw/zinc/03/00/81/1202030081.db2.gz VUIXXISAMNASEE-NCOADZHNSA-N 1 2 376.501 0.515 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1oc(=O)n3C)C2 ZINC001109399815 1202037831 /nfs/dbraw/zinc/03/78/31/1202037831.db2.gz YBIFWDQBICVKQB-SNPRPXQTSA-N 1 2 382.420 0.216 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1oc(=O)n3C)C2 ZINC001109399815 1202037833 /nfs/dbraw/zinc/03/78/33/1202037833.db2.gz YBIFWDQBICVKQB-SNPRPXQTSA-N 1 2 382.420 0.216 20 30 GCEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000768918854 1202038424 /nfs/dbraw/zinc/03/84/24/1202038424.db2.gz MKJOPVWRPOVWSS-HNNXBMFYSA-N 1 2 384.436 0.771 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1OCC[C@H]1CC)C2 ZINC001109421672 1202045579 /nfs/dbraw/zinc/04/55/79/1202045579.db2.gz GCBAZNUOFRRTFD-KDEOKCCVSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1OCC[C@H]1CC)C2 ZINC001109421672 1202045581 /nfs/dbraw/zinc/04/55/81/1202045581.db2.gz GCBAZNUOFRRTFD-KDEOKCCVSA-N 1 2 378.473 0.535 20 30 GCEDLO CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000769165150 1202048980 /nfs/dbraw/zinc/04/89/80/1202048980.db2.gz ZXCCDHBNNREXTB-IAGOWNOFSA-N 1 2 379.505 0.889 20 30 GCEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000769165150 1202048982 /nfs/dbraw/zinc/04/89/82/1202048982.db2.gz ZXCCDHBNNREXTB-IAGOWNOFSA-N 1 2 379.505 0.889 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn(-c3ccccc3)n1)C2 ZINC001109433352 1202049180 /nfs/dbraw/zinc/04/91/80/1202049180.db2.gz KRKWUUIXOKLHBM-IKGGRYGDSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn(-c3ccccc3)n1)C2 ZINC001109433352 1202049182 /nfs/dbraw/zinc/04/91/82/1202049182.db2.gz KRKWUUIXOKLHBM-IKGGRYGDSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1-c1ccccc1)C2 ZINC001109450592 1202054383 /nfs/dbraw/zinc/05/43/83/1202054383.db2.gz YNNJRAWEEBZRRW-SQNIBIBYSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnn1-c1ccccc1)C2 ZINC001109450592 1202054384 /nfs/dbraw/zinc/05/43/84/1202054384.db2.gz YNNJRAWEEBZRRW-SQNIBIBYSA-N 1 2 377.448 0.957 20 30 GCEDLO C=CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109472984 1202059105 /nfs/dbraw/zinc/05/91/05/1202059105.db2.gz PUTPUIAXQJTLQF-YXPYIKCWSA-N 1 2 375.473 0.762 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3c1CC(=O)N3)C2 ZINC001109486136 1202061985 /nfs/dbraw/zinc/06/19/85/1202061985.db2.gz IQARFXFUAYVQJM-MPTQWLOMSA-N 1 2 381.436 0.049 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3c1CC(=O)N3)C2 ZINC001109486136 1202061988 /nfs/dbraw/zinc/06/19/88/1202061988.db2.gz IQARFXFUAYVQJM-MPTQWLOMSA-N 1 2 381.436 0.049 20 30 GCEDLO CN1c2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@@H+]4CC(=O)NCC#N)ccc2CC1=O ZINC001109490183 1202063569 /nfs/dbraw/zinc/06/35/69/1202063569.db2.gz IXQQMGQPVKVONT-PMPSAXMXSA-N 1 2 381.436 0.180 20 30 GCEDLO CN1c2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@H+]4CC(=O)NCC#N)ccc2CC1=O ZINC001109490183 1202063572 /nfs/dbraw/zinc/06/35/72/1202063572.db2.gz IXQQMGQPVKVONT-PMPSAXMXSA-N 1 2 381.436 0.180 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCC(=O)N3)C2 ZINC001109502482 1202067378 /nfs/dbraw/zinc/06/73/78/1202067378.db2.gz FRXIYCGMCFWNCI-NJAFHUGGSA-N 1 2 380.448 0.656 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCC(=O)N3)C2 ZINC001109502482 1202067381 /nfs/dbraw/zinc/06/73/81/1202067381.db2.gz FRXIYCGMCFWNCI-NJAFHUGGSA-N 1 2 380.448 0.656 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)COC)C2 ZINC001109522022 1202070468 /nfs/dbraw/zinc/07/04/68/1202070468.db2.gz KCMDUIDRALTHOA-KBXIAJHMSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)COC)C2 ZINC001109522022 1202070471 /nfs/dbraw/zinc/07/04/71/1202070471.db2.gz KCMDUIDRALTHOA-KBXIAJHMSA-N 1 2 380.489 0.781 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3n1)C2 ZINC001109527843 1202072329 /nfs/dbraw/zinc/07/23/29/1202072329.db2.gz NTHGCQUSTDTFFZ-RMHZUWNSSA-N 1 2 378.436 0.498 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc3ccccc3n1)C2 ZINC001109527843 1202072330 /nfs/dbraw/zinc/07/23/30/1202072330.db2.gz NTHGCQUSTDTFFZ-RMHZUWNSSA-N 1 2 378.436 0.498 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cn3ccnn3)o1)C2 ZINC001109545002 1202077985 /nfs/dbraw/zinc/07/79/85/1202077985.db2.gz VZTQEPUJFHROHL-KBMXLJTQSA-N 1 2 382.424 0.004 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cn3ccnn3)o1)C2 ZINC001109545002 1202077987 /nfs/dbraw/zinc/07/79/87/1202077987.db2.gz VZTQEPUJFHROHL-KBMXLJTQSA-N 1 2 382.424 0.004 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1-n1cccn1)C2 ZINC001109584626 1202084892 /nfs/dbraw/zinc/08/48/92/1202084892.db2.gz QLMNJPACDZSOHR-KBMXLJTQSA-N 1 2 379.424 0.242 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1-n1cccn1)C2 ZINC001109584626 1202084894 /nfs/dbraw/zinc/08/48/94/1202084894.db2.gz QLMNJPACDZSOHR-KBMXLJTQSA-N 1 2 379.424 0.242 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)cc1 ZINC001109587455 1202086166 /nfs/dbraw/zinc/08/61/66/1202086166.db2.gz JFWCZNYFTPKBPP-SQNIBIBYSA-N 1 2 380.448 0.991 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)cc1 ZINC001109587455 1202086167 /nfs/dbraw/zinc/08/61/67/1202086167.db2.gz JFWCZNYFTPKBPP-SQNIBIBYSA-N 1 2 380.448 0.991 20 30 GCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)N[C@@H](C)COC ZINC001109603006 1202088012 /nfs/dbraw/zinc/08/80/12/1202088012.db2.gz DQQDSMUJRZJWMT-XGUBFFRZSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)N[C@@H](C)COC ZINC001109603006 1202088014 /nfs/dbraw/zinc/08/80/14/1202088014.db2.gz DQQDSMUJRZJWMT-XGUBFFRZSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)CC(=O)NCCC ZINC001109605404 1202090722 /nfs/dbraw/zinc/09/07/22/1202090722.db2.gz AFTKNASQQIKJPV-PMPSAXMXSA-N 1 2 378.517 0.905 20 30 GCEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)CC(=O)NCCC ZINC001109605404 1202090723 /nfs/dbraw/zinc/09/07/23/1202090723.db2.gz AFTKNASQQIKJPV-PMPSAXMXSA-N 1 2 378.517 0.905 20 30 GCEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)N(C)CC(F)(F)F ZINC001109639683 1202095348 /nfs/dbraw/zinc/09/53/48/1202095348.db2.gz YURXMRPJRLJPAN-RNJOBUHISA-N 1 2 375.395 0.230 20 30 GCEDLO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)N(C)CC(F)(F)F ZINC001109639683 1202095350 /nfs/dbraw/zinc/09/53/50/1202095350.db2.gz YURXMRPJRLJPAN-RNJOBUHISA-N 1 2 375.395 0.230 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)n1)C2 ZINC001109709428 1202107064 /nfs/dbraw/zinc/10/70/64/1202107064.db2.gz KSCPWEQPHGNFFR-PVAVHDDUSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cccn3)n1)C2 ZINC001109709428 1202107065 /nfs/dbraw/zinc/10/70/65/1202107065.db2.gz KSCPWEQPHGNFFR-PVAVHDDUSA-N 1 2 380.452 0.905 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1cccn1)C2 ZINC001109760908 1202119140 /nfs/dbraw/zinc/11/91/40/1202119140.db2.gz YIAYQNVOLXGWLN-AYBZRNKSSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1cccn1)C2 ZINC001109760908 1202119141 /nfs/dbraw/zinc/11/91/41/1202119141.db2.gz YIAYQNVOLXGWLN-AYBZRNKSSA-N 1 2 377.448 0.957 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cscn1)C2 ZINC001109805903 1202125751 /nfs/dbraw/zinc/12/57/51/1202125751.db2.gz KXLPXOWARAXUBK-RDBSUJKOSA-N 1 2 377.470 0.419 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cscn1)C2 ZINC001109805903 1202125753 /nfs/dbraw/zinc/12/57/53/1202125753.db2.gz KXLPXOWARAXUBK-RDBSUJKOSA-N 1 2 377.470 0.419 20 30 GCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001109804193 1202127562 /nfs/dbraw/zinc/12/75/62/1202127562.db2.gz GUSGHFWDOOXLGB-OWSLCNJRSA-N 1 2 376.501 0.705 20 30 GCEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001109804193 1202127563 /nfs/dbraw/zinc/12/75/63/1202127563.db2.gz GUSGHFWDOOXLGB-OWSLCNJRSA-N 1 2 376.501 0.705 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(=O)N(C)C(C)C)CC1)C2 ZINC001109904602 1202146871 /nfs/dbraw/zinc/14/68/71/1202146871.db2.gz VEWDKJQYEXUXDF-PMPSAXMXSA-N 1 2 376.501 0.657 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(=O)N(C)C(C)C)CC1)C2 ZINC001109904602 1202146872 /nfs/dbraw/zinc/14/68/72/1202146872.db2.gz VEWDKJQYEXUXDF-PMPSAXMXSA-N 1 2 376.501 0.657 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3cnn(C)c3)o1)C2 ZINC001109941016 1202155257 /nfs/dbraw/zinc/15/52/57/1202155257.db2.gz IHHNRCBEBGOUFZ-PMPSAXMXSA-N 1 2 381.436 0.765 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3cnn(C)c3)o1)C2 ZINC001109941016 1202155258 /nfs/dbraw/zinc/15/52/58/1202155258.db2.gz IHHNRCBEBGOUFZ-PMPSAXMXSA-N 1 2 381.436 0.765 20 30 GCEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)CC1 ZINC000771738569 1202156876 /nfs/dbraw/zinc/15/68/76/1202156876.db2.gz BATOMOSNFQXNOO-UHFFFAOYSA-N 1 2 379.482 0.884 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)C2 ZINC001109987505 1202167837 /nfs/dbraw/zinc/16/78/37/1202167837.db2.gz ACKZTVDWMLNTHD-SQNIBIBYSA-N 1 2 382.464 0.473 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)C2 ZINC001109987505 1202167842 /nfs/dbraw/zinc/16/78/42/1202167842.db2.gz ACKZTVDWMLNTHD-SQNIBIBYSA-N 1 2 382.464 0.473 20 30 GCEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001109996611 1202172202 /nfs/dbraw/zinc/17/22/02/1202172202.db2.gz JNBDAPHLLDDBMN-NJAFHUGGSA-N 1 2 382.464 0.955 20 30 GCEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001109996611 1202172205 /nfs/dbraw/zinc/17/22/05/1202172205.db2.gz JNBDAPHLLDDBMN-NJAFHUGGSA-N 1 2 382.464 0.955 20 30 GCEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC ZINC001110034674 1202177702 /nfs/dbraw/zinc/17/77/02/1202177702.db2.gz JJFIYERECMCSNF-SQNIBIBYSA-N 1 2 382.464 0.778 20 30 GCEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC ZINC001110034674 1202177703 /nfs/dbraw/zinc/17/77/03/1202177703.db2.gz JJFIYERECMCSNF-SQNIBIBYSA-N 1 2 382.464 0.778 20 30 GCEDLO CC(C)(C#N)CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000790021387 1205455049 /nfs/dbraw/zinc/45/50/49/1205455049.db2.gz JHLNFGQYZZJVKU-UHFFFAOYSA-N 1 2 394.501 0.315 20 30 GCEDLO CC(C)(C#N)CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000790021387 1205455053 /nfs/dbraw/zinc/45/50/53/1205455053.db2.gz JHLNFGQYZZJVKU-UHFFFAOYSA-N 1 2 394.501 0.315 20 30 GCEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)n[nH]1 ZINC001130222962 1205537986 /nfs/dbraw/zinc/53/79/86/1205537986.db2.gz JSOAKIZDVZURES-NXOAAHMSSA-N 1 2 387.484 0.579 20 30 GCEDLO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]23CCC[C@H]2OCC3)n[nH]1 ZINC001130223061 1205538001 /nfs/dbraw/zinc/53/80/01/1205538001.db2.gz LDXWYCBXPUQBKP-MFCZKXCZSA-N 1 2 387.484 0.866 20 30 GCEDLO C#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3CC)n2)O1 ZINC001130804371 1205571587 /nfs/dbraw/zinc/57/15/87/1205571587.db2.gz FNVYYXCCDRKBJR-LXTVHRRPSA-N 1 2 388.472 0.026 20 30 GCEDLO C=C[C@@H](O)C(=O)OCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000814546600 1205693277 /nfs/dbraw/zinc/69/32/77/1205693277.db2.gz GTALLUIMONDLFH-MRXNPFEDSA-N 1 2 392.452 0.747 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)C2 ZINC001110190777 1205742315 /nfs/dbraw/zinc/74/23/15/1205742315.db2.gz OYXCXSLOJCHPLQ-IRWJRLHMSA-N 1 2 381.436 0.474 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)C2 ZINC001110190777 1205742317 /nfs/dbraw/zinc/74/23/17/1205742317.db2.gz OYXCXSLOJCHPLQ-IRWJRLHMSA-N 1 2 381.436 0.474 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)C2 ZINC001110190800 1205742352 /nfs/dbraw/zinc/74/23/52/1205742352.db2.gz QXWCECHVROAIAY-WCZJQEMASA-N 1 2 380.448 0.583 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C(=O)Nc3ccccc31)C2 ZINC001110190800 1205742354 /nfs/dbraw/zinc/74/23/54/1205742354.db2.gz QXWCECHVROAIAY-WCZJQEMASA-N 1 2 380.448 0.583 20 30 GCEDLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CCC#N)CC1 ZINC001177085255 1205761959 /nfs/dbraw/zinc/76/19/59/1205761959.db2.gz WTSUPIRIIXXWKH-HNNXBMFYSA-N 1 2 376.461 0.903 20 30 GCEDLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CCC#N)CC1 ZINC001177085255 1205761960 /nfs/dbraw/zinc/76/19/60/1205761960.db2.gz WTSUPIRIIXXWKH-HNNXBMFYSA-N 1 2 376.461 0.903 20 30 GCEDLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C)C(=O)NO ZINC001177093760 1205762311 /nfs/dbraw/zinc/76/23/11/1205762311.db2.gz HATVXAMMENGDMJ-STQMWFEESA-N 1 2 383.449 0.882 20 30 GCEDLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C)C(=O)NO ZINC001177093760 1205762312 /nfs/dbraw/zinc/76/23/12/1205762312.db2.gz HATVXAMMENGDMJ-STQMWFEESA-N 1 2 383.449 0.882 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(NC(C)=O)CC1)C2 ZINC001110203795 1205766769 /nfs/dbraw/zinc/76/67/69/1205766769.db2.gz PGASGEPJYGTMNH-QEXNXIHPSA-N 1 2 376.501 0.705 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(NC(C)=O)CC1)C2 ZINC001110203795 1205766770 /nfs/dbraw/zinc/76/67/70/1205766770.db2.gz PGASGEPJYGTMNH-QEXNXIHPSA-N 1 2 376.501 0.705 20 30 GCEDLO CO/N=C(\C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)c1ccco1 ZINC001177350754 1205768162 /nfs/dbraw/zinc/76/81/62/1205768162.db2.gz GIALKLLEMNNYPA-PYCFMQQDSA-N 1 2 396.407 0.864 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)n(C)c3c1)C2 ZINC001110211851 1205772780 /nfs/dbraw/zinc/77/27/80/1205772780.db2.gz WASNRFPKLLDGCC-KBMXLJTQSA-N 1 2 381.436 0.363 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)n(C)c3c1)C2 ZINC001110211851 1205772782 /nfs/dbraw/zinc/77/27/82/1205772782.db2.gz WASNRFPKLLDGCC-KBMXLJTQSA-N 1 2 381.436 0.363 20 30 GCEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C#Cc1ccccn1)CC2 ZINC001177801135 1205777066 /nfs/dbraw/zinc/77/70/66/1205777066.db2.gz REFVKNBKLNPHOO-UHFFFAOYSA-N 1 2 392.463 0.139 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2 ZINC001110214331 1205779797 /nfs/dbraw/zinc/77/97/97/1205779797.db2.gz DXOCENHSUNHWSF-OWSLCNJRSA-N 1 2 378.517 0.951 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C2 ZINC001110214331 1205779800 /nfs/dbraw/zinc/77/98/00/1205779800.db2.gz DXOCENHSUNHWSF-OWSLCNJRSA-N 1 2 378.517 0.951 20 30 GCEDLO CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001180778170 1205833021 /nfs/dbraw/zinc/83/30/21/1205833021.db2.gz FMCDNFHWLRVNME-HNNXBMFYSA-N 1 2 392.460 0.961 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCC(C)C)C2 ZINC001110352020 1205912592 /nfs/dbraw/zinc/91/25/92/1205912592.db2.gz RMRMJYSORZUWDT-FPCVCCKLSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCC(C)C)C2 ZINC001110352020 1205912593 /nfs/dbraw/zinc/91/25/93/1205912593.db2.gz RMRMJYSORZUWDT-FPCVCCKLSA-N 1 2 380.489 0.781 20 30 GCEDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CN(CCC#N)C(=O)OC(C)(C)C ZINC001184861881 1205914471 /nfs/dbraw/zinc/91/44/71/1205914471.db2.gz PVEDVTDKHVYMFT-CQSZACIVSA-N 1 2 393.444 0.771 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCCCC)C2 ZINC001110364745 1205924672 /nfs/dbraw/zinc/92/46/72/1205924672.db2.gz HUPYZAYRGFTPBF-FPCVCCKLSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCCCC)C2 ZINC001110364745 1205924673 /nfs/dbraw/zinc/92/46/73/1205924673.db2.gz HUPYZAYRGFTPBF-FPCVCCKLSA-N 1 2 380.489 0.925 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@H]2C(=O)N[C@@H](C#N)C(N)=O)C1 ZINC001186850969 1205949429 /nfs/dbraw/zinc/94/94/29/1205949429.db2.gz YFFLCELAOKHPTO-IHRRRGAJSA-N 1 2 379.461 0.344 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@H]2C(=O)N[C@@H](C#N)C(N)=O)C1 ZINC001186850969 1205949430 /nfs/dbraw/zinc/94/94/30/1205949430.db2.gz YFFLCELAOKHPTO-IHRRRGAJSA-N 1 2 379.461 0.344 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOC[C@H]1C1CC1 ZINC001110388582 1205954823 /nfs/dbraw/zinc/95/48/23/1205954823.db2.gz DBRXRUHPSHKLRM-BDXSIMOUSA-N 1 2 377.485 0.548 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOC[C@H]1C1CC1 ZINC001110388582 1205954825 /nfs/dbraw/zinc/95/48/25/1205954825.db2.gz DBRXRUHPSHKLRM-BDXSIMOUSA-N 1 2 377.485 0.548 20 30 GCEDLO N#Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001187516042 1205963623 /nfs/dbraw/zinc/96/36/23/1205963623.db2.gz NWCNSKFTDCEJOJ-ZDUSSCGKSA-N 1 2 380.426 0.809 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCOCC1)C2 ZINC001110407188 1206002194 /nfs/dbraw/zinc/00/21/94/1206002194.db2.gz XACNIAGUGUEDEC-OAGGEKHMSA-N 1 2 378.473 0.536 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCOCC1)C2 ZINC001110407188 1206002198 /nfs/dbraw/zinc/00/21/98/1206002198.db2.gz XACNIAGUGUEDEC-OAGGEKHMSA-N 1 2 378.473 0.536 20 30 GCEDLO COc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)cc1 ZINC001189367721 1206003801 /nfs/dbraw/zinc/00/38/01/1206003801.db2.gz XIFMRKFPSSSLOB-GDAAHCPNSA-N 1 2 382.464 0.971 20 30 GCEDLO COc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)cc1 ZINC001189367721 1206003803 /nfs/dbraw/zinc/00/38/03/1206003803.db2.gz XIFMRKFPSSSLOB-GDAAHCPNSA-N 1 2 382.464 0.971 20 30 GCEDLO N#Cc1nn(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] ZINC001189795770 1206016381 /nfs/dbraw/zinc/01/63/81/1206016381.db2.gz DPHZAMKPFNTRRW-UHFFFAOYSA-N 1 2 396.407 0.942 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C)C2 ZINC001110422234 1206025230 /nfs/dbraw/zinc/02/52/30/1206025230.db2.gz WWXILLLKMKHCEB-DGAVXFQQSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1C)C2 ZINC001110422234 1206025232 /nfs/dbraw/zinc/02/52/32/1206025232.db2.gz WWXILLLKMKHCEB-DGAVXFQQSA-N 1 2 375.429 0.718 20 30 GCEDLO C[N@@H+]1CCN(C(=O)NC2CCN(CC#N)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775431187 1206054560 /nfs/dbraw/zinc/05/45/60/1206054560.db2.gz MPONGSUCMZLMGS-INIZCTEOSA-N 1 2 394.520 0.825 20 30 GCEDLO C[N@H+]1CCN(C(=O)NC2CCN(CC#N)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775431187 1206054563 /nfs/dbraw/zinc/05/45/63/1206054563.db2.gz MPONGSUCMZLMGS-INIZCTEOSA-N 1 2 394.520 0.825 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3ncnc(Cl)c3C#N)CC2)C1=O ZINC001164636644 719270003 /nfs/dbraw/zinc/27/00/03/719270003.db2.gz VTPBGEHMSDLWEW-UHFFFAOYSA-N 1 2 378.864 0.761 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc(Cl)c3C#N)CC2)C1=O ZINC001164636644 719270005 /nfs/dbraw/zinc/27/00/05/719270005.db2.gz VTPBGEHMSDLWEW-UHFFFAOYSA-N 1 2 378.864 0.761 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3nnc(Cl)cc3C#N)CC2)C1=O ZINC001164635390 719270653 /nfs/dbraw/zinc/27/06/53/719270653.db2.gz PWKOULGTPOAOSD-UHFFFAOYSA-N 1 2 378.864 0.761 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nnc(Cl)cc3C#N)CC2)C1=O ZINC001164635390 719270655 /nfs/dbraw/zinc/27/06/55/719270655.db2.gz PWKOULGTPOAOSD-UHFFFAOYSA-N 1 2 378.864 0.761 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4c(C#N)c[nH]c4n3)CC2)C1=O ZINC001164642228 719278452 /nfs/dbraw/zinc/27/84/52/719278452.db2.gz YWRSHXXKLPMNTJ-UHFFFAOYSA-N 1 2 383.456 0.589 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4c(C#N)c[nH]c4n3)CC2)C1=O ZINC001164642228 719278455 /nfs/dbraw/zinc/27/84/55/719278455.db2.gz YWRSHXXKLPMNTJ-UHFFFAOYSA-N 1 2 383.456 0.589 20 30 GCEDLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(C#N)n1 ZINC001164708917 719910775 /nfs/dbraw/zinc/91/07/75/719910775.db2.gz NFMIIDVNYOSIOI-UHFFFAOYSA-N 1 2 380.456 0.341 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)nc3C#N)C2)C1 ZINC001164717272 720225626 /nfs/dbraw/zinc/22/56/26/720225626.db2.gz HULDMMHWMABCFX-KRWDZBQOSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)nc3C#N)C2)C1 ZINC001164717272 720225638 /nfs/dbraw/zinc/22/56/38/720225638.db2.gz HULDMMHWMABCFX-KRWDZBQOSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)cc3C#N)C2)C1 ZINC001164718897 720227680 /nfs/dbraw/zinc/22/76/80/720227680.db2.gz OIABPDCNNYNJLQ-QGZVFWFLSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)cc3C#N)C2)C1 ZINC001164718897 720227692 /nfs/dbraw/zinc/22/76/92/720227692.db2.gz OIABPDCNNYNJLQ-QGZVFWFLSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(C)c3C#N)C2)C1 ZINC001164720466 720254636 /nfs/dbraw/zinc/25/46/36/720254636.db2.gz WOYWRIYVUDVWDW-GOSISDBHSA-N 1 2 392.891 0.975 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc(C)c3C#N)C2)C1 ZINC001164720466 720254651 /nfs/dbraw/zinc/25/46/51/720254651.db2.gz WOYWRIYVUDVWDW-GOSISDBHSA-N 1 2 392.891 0.975 20 30 GCEDLO CCc1nc(C#N)c(C#N)nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164722880 720304461 /nfs/dbraw/zinc/30/44/61/720304461.db2.gz MUBNAJZOAIUZAF-HXUWFJFHSA-N 1 2 397.483 0.447 20 30 GCEDLO CCc1nc(C#N)c(C#N)nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164722880 720304468 /nfs/dbraw/zinc/30/44/68/720304468.db2.gz MUBNAJZOAIUZAF-HXUWFJFHSA-N 1 2 397.483 0.447 20 30 GCEDLO Cc1ncc(C#N)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164822697 720444623 /nfs/dbraw/zinc/44/46/23/720444623.db2.gz GPUXVQDPLGRKFS-KRWDZBQOSA-N 1 2 397.483 0.843 20 30 GCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573286975 946824460 /nfs/dbraw/zinc/82/44/60/946824460.db2.gz JPUXFOJIUAPTSV-GOEBONIOSA-N 1 2 384.440 0.222 20 30 GCEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573286975 946824474 /nfs/dbraw/zinc/82/44/74/946824474.db2.gz JPUXFOJIUAPTSV-GOEBONIOSA-N 1 2 384.440 0.222 20 30 GCEDLO C#CCOCCC(=O)N(C)C1C[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001573288504 946866594 /nfs/dbraw/zinc/86/65/94/946866594.db2.gz UYAOIKKRHVRUSK-UHFFFAOYSA-N 1 2 384.440 0.558 20 30 GCEDLO C=C(Cl)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001573300571 947115180 /nfs/dbraw/zinc/11/51/80/947115180.db2.gz ZHNDKMIJUGGWOI-UHFFFAOYSA-N 1 2 389.807 0.463 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573573116 947119062 /nfs/dbraw/zinc/11/90/62/947119062.db2.gz MPJJWPABMYUYOE-ZBEGNZNMSA-N 1 2 375.458 0.531 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@@]1(CO)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573573116 947119068 /nfs/dbraw/zinc/11/90/68/947119068.db2.gz MPJJWPABMYUYOE-ZBEGNZNMSA-N 1 2 375.458 0.531 20 30 GCEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC2(C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)O1 ZINC001573577446 947168521 /nfs/dbraw/zinc/16/85/21/947168521.db2.gz POHQKSPYYCKXKJ-UKRRQHHQSA-N 1 2 381.440 0.876 20 30 GCEDLO C[C@@H](C#N)C(=O)NCCN1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001573583458 947206357 /nfs/dbraw/zinc/20/63/57/947206357.db2.gz MCWKUENPVPYZNA-ZDUSSCGKSA-N 1 2 386.435 0.399 20 30 GCEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)CC1 ZINC001573329725 947425469 /nfs/dbraw/zinc/42/54/69/947425469.db2.gz NTYLULKNSISJJO-CQSZACIVSA-N 1 2 383.460 0.346 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001573337122 947513141 /nfs/dbraw/zinc/51/31/41/947513141.db2.gz VAMZDTWSWYMEGD-HZPDHXFCSA-N 1 2 390.419 0.260 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O ZINC001573337122 947513149 /nfs/dbraw/zinc/51/31/49/947513149.db2.gz VAMZDTWSWYMEGD-HZPDHXFCSA-N 1 2 390.419 0.260 20 30 GCEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571242303 953255695 /nfs/dbraw/zinc/25/56/95/953255695.db2.gz YUCNLXQEJFIZJD-ZIAGYGMSSA-N 1 2 384.425 0.103 20 30 GCEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)s1 ZINC001571242303 953255696 /nfs/dbraw/zinc/25/56/96/953255696.db2.gz YUCNLXQEJFIZJD-ZIAGYGMSSA-N 1 2 384.425 0.103 20 30 GCEDLO Cn1cc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1C#N ZINC000483335979 530119376 /nfs/dbraw/zinc/11/93/76/530119376.db2.gz IXEZDEXFGDHBMQ-UHFFFAOYSA-N 1 2 379.408 0.847 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ncc(C#N)cc3Cl)CC2)CC1 ZINC000608885157 530167301 /nfs/dbraw/zinc/16/73/01/530167301.db2.gz NDFGCBZGMRXIJM-UHFFFAOYSA-N 1 2 384.893 0.221 20 30 GCEDLO CN(CCCNC(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000268558614 530229140 /nfs/dbraw/zinc/22/91/40/530229140.db2.gz GECAPFBDBFJFND-UHFFFAOYSA-N 1 2 390.893 0.569 20 30 GCEDLO CN(CCCNC(=O)CO[NH+]=C(N)c1cccc(Cl)c1)S(C)(=O)=O ZINC000268579808 530229486 /nfs/dbraw/zinc/22/94/86/530229486.db2.gz BVFLRHJMOKOEDE-UHFFFAOYSA-N 1 2 376.866 0.375 20 30 GCEDLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409549230 530229916 /nfs/dbraw/zinc/22/99/16/530229916.db2.gz AULPLZDGWHPLEZ-LSDHHAIUSA-N 1 2 394.563 0.154 20 30 GCEDLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409549224 530230119 /nfs/dbraw/zinc/23/01/19/530230119.db2.gz AULPLZDGWHPLEZ-CABCVRRESA-N 1 2 394.563 0.154 20 30 GCEDLO COCCN(CCC#N)S(=O)(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000281868340 530364021 /nfs/dbraw/zinc/36/40/21/530364021.db2.gz APLUKUBJRHFPEE-UHFFFAOYSA-N 1 2 387.531 0.758 20 30 GCEDLO COCCN(CCC#N)S(=O)(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000281868340 530364022 /nfs/dbraw/zinc/36/40/22/530364022.db2.gz APLUKUBJRHFPEE-UHFFFAOYSA-N 1 2 387.531 0.758 20 30 GCEDLO CC(C)(C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000517041654 530375129 /nfs/dbraw/zinc/37/51/29/530375129.db2.gz WSMKYNHHUQTCDW-UHFFFAOYSA-N 1 2 386.499 0.251 20 30 GCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000299528754 530491031 /nfs/dbraw/zinc/49/10/31/530491031.db2.gz NHNZOCFVRBJOHC-UHFFFAOYSA-N 1 2 386.499 0.101 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000330464242 530519983 /nfs/dbraw/zinc/51/99/83/530519983.db2.gz OSAIWRJBPZCIRC-HUUCEWRRSA-N 1 2 376.523 0.415 20 30 GCEDLO CCS(=O)(=O)NC1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000330471005 530520135 /nfs/dbraw/zinc/52/01/35/530520135.db2.gz BSZDTBWWAHBTOO-UHFFFAOYSA-N 1 2 376.523 0.415 20 30 GCEDLO CC(C)S(=O)(=O)N1CCC(NC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000331346638 530548325 /nfs/dbraw/zinc/54/83/25/530548325.db2.gz RITZCVDOOKTJER-UHFFFAOYSA-N 1 2 376.523 0.367 20 30 GCEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000282110907 530558691 /nfs/dbraw/zinc/55/86/91/530558691.db2.gz GRJRQNYFPFAUNG-UHFFFAOYSA-N 1 2 380.861 0.850 20 30 GCEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000267107712 530571685 /nfs/dbraw/zinc/57/16/85/530571685.db2.gz WNCWYSVWQOTADR-OAHLLOKOSA-N 1 2 385.511 0.593 20 30 GCEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000267107712 530571687 /nfs/dbraw/zinc/57/16/87/530571687.db2.gz WNCWYSVWQOTADR-OAHLLOKOSA-N 1 2 385.511 0.593 20 30 GCEDLO CC(C)(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000575430275 530600088 /nfs/dbraw/zinc/60/00/88/530600088.db2.gz WGRDWCOVODBRQJ-UHFFFAOYSA-N 1 2 386.499 0.776 20 30 GCEDLO O=C(NCC[NH+]1CCN(C(=O)N2CCSCC2)CC1)N1CCSCC1 ZINC000329330189 530610265 /nfs/dbraw/zinc/61/02/65/530610265.db2.gz LOEPZYXBMNGMGN-UHFFFAOYSA-N 1 2 387.575 0.736 20 30 GCEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N ZINC000349453880 530637221 /nfs/dbraw/zinc/63/72/21/530637221.db2.gz PCJVWKQKYBKNIM-QWHCGFSZSA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N ZINC000349453880 530637223 /nfs/dbraw/zinc/63/72/23/530637223.db2.gz PCJVWKQKYBKNIM-QWHCGFSZSA-N 1 2 386.499 0.202 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000349465427 530642104 /nfs/dbraw/zinc/64/21/04/530642104.db2.gz DLAOPLCVPBVSEU-CYBMUJFWSA-N 1 2 386.499 0.155 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC(C)(C)C#N)cc2)CC1 ZINC000580658846 530617376 /nfs/dbraw/zinc/61/73/76/530617376.db2.gz KUFOSWOUFIAFBA-UHFFFAOYSA-N 1 2 386.499 0.203 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000349538567 530680577 /nfs/dbraw/zinc/68/05/77/530680577.db2.gz UKJHBJIFGQNJDZ-CABCVRRESA-N 1 2 389.499 0.288 20 30 GCEDLO CN(C1(C#N)CCC1)S(=O)(=O)CCCCS(=O)(=O)N1CC[NH+](C)CC1 ZINC000349591233 530708891 /nfs/dbraw/zinc/70/88/91/530708891.db2.gz QSUBWXNLFIIVRG-UHFFFAOYSA-N 1 2 392.547 0.052 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NC2(C#N)CC2)C[C@H](C)[N@H+]1C ZINC000349601613 530715033 /nfs/dbraw/zinc/71/50/33/530715033.db2.gz OUPZTQHVXCJWQU-OKILXGFUSA-N 1 2 392.547 0.096 20 30 GCEDLO C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NC2(C#N)CC2)C[C@H](C)[N@@H+]1C ZINC000349601613 530715036 /nfs/dbraw/zinc/71/50/36/530715036.db2.gz OUPZTQHVXCJWQU-OKILXGFUSA-N 1 2 392.547 0.096 20 30 GCEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593651869 530823842 /nfs/dbraw/zinc/82/38/42/530823842.db2.gz ZZAPLVIBOKMVBI-CYBMUJFWSA-N 1 2 386.271 0.760 20 30 GCEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593651869 530823845 /nfs/dbraw/zinc/82/38/45/530823845.db2.gz ZZAPLVIBOKMVBI-CYBMUJFWSA-N 1 2 386.271 0.760 20 30 GCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C[C@H]1C ZINC000349469888 530891302 /nfs/dbraw/zinc/89/13/02/530891302.db2.gz LIUAPNOLQKUXME-CYBMUJFWSA-N 1 2 386.499 0.203 20 30 GCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C[C@H]1C ZINC000349469888 530891306 /nfs/dbraw/zinc/89/13/06/530891306.db2.gz LIUAPNOLQKUXME-CYBMUJFWSA-N 1 2 386.499 0.203 20 30 GCEDLO N#Cc1ccc(Br)c(CN2CC[NH+](CCS(N)(=O)=O)CC2)c1 ZINC000191813385 530979596 /nfs/dbraw/zinc/97/95/96/530979596.db2.gz FETUBEHWAJNLNN-UHFFFAOYSA-N 1 2 387.303 0.727 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cncc(Br)c2)CC1 ZINC000264103083 531003219 /nfs/dbraw/zinc/00/32/19/531003219.db2.gz CCFVBMWHTMLNBD-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cncc(Br)c2)CC1 ZINC000264103083 531003222 /nfs/dbraw/zinc/00/32/22/531003222.db2.gz CCFVBMWHTMLNBD-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000544135656 531078672 /nfs/dbraw/zinc/07/86/72/531078672.db2.gz KXNLTZBVCMVEDB-HUUCEWRRSA-N 1 2 380.539 0.867 20 30 GCEDLO N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000544135656 531078673 /nfs/dbraw/zinc/07/86/73/531078673.db2.gz KXNLTZBVCMVEDB-HUUCEWRRSA-N 1 2 380.539 0.867 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735432147 598252395 /nfs/dbraw/zinc/25/23/95/598252395.db2.gz MZOQINGTAUUUHH-ZDUSSCGKSA-N 1 2 384.444 0.389 20 30 GCEDLO N#CCNC(=O)CN1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737694931 598539900 /nfs/dbraw/zinc/53/99/00/598539900.db2.gz GZDBOTROTILWNS-UHFFFAOYSA-N 1 2 377.412 0.177 20 30 GCEDLO N#CCCN(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CC[NH+]1CCOCC1 ZINC000822811351 606191119 /nfs/dbraw/zinc/19/11/19/606191119.db2.gz XDRRBKFZMMQHEU-UHFFFAOYSA-N 1 2 398.471 0.743 20 30 GCEDLO N#CCC[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CCN1CCOCC1 ZINC000822811351 606191121 /nfs/dbraw/zinc/19/11/21/606191121.db2.gz XDRRBKFZMMQHEU-UHFFFAOYSA-N 1 2 398.471 0.743 20 30 GCEDLO N#CCC[N@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CCN1CCOCC1 ZINC000822811351 606191123 /nfs/dbraw/zinc/19/11/23/606191123.db2.gz XDRRBKFZMMQHEU-UHFFFAOYSA-N 1 2 398.471 0.743 20 30 GCEDLO C#CCNC(=O)C1CC[NH+]([C@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819702390 606316923 /nfs/dbraw/zinc/31/69/23/606316923.db2.gz YTXMWMADJLDBIE-INIZCTEOSA-N 1 2 382.424 0.542 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000823850485 609264940 /nfs/dbraw/zinc/26/49/40/609264940.db2.gz PCCSCPNLYXCLHF-SJORKVTESA-N 1 2 393.451 0.576 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000823850485 609264941 /nfs/dbraw/zinc/26/49/41/609264941.db2.gz PCCSCPNLYXCLHF-SJORKVTESA-N 1 2 393.451 0.576 20 30 GCEDLO C=C(Br)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746382150 640292163 /nfs/dbraw/zinc/29/21/63/640292163.db2.gz PNRPIZOKUXWHHI-UHFFFAOYSA-N 1 2 386.250 0.179 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000874267305 641521551 /nfs/dbraw/zinc/52/15/51/641521551.db2.gz ZCFNZZDMTCSMHR-ZDUSSCGKSA-N 1 2 387.527 0.592 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)s1 ZINC000874267305 641521554 /nfs/dbraw/zinc/52/15/54/641521554.db2.gz ZCFNZZDMTCSMHR-ZDUSSCGKSA-N 1 2 387.527 0.592 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000932038314 641996780 /nfs/dbraw/zinc/99/67/80/641996780.db2.gz WAUSIFJNUYJGFP-UHFFFAOYSA-N 1 2 395.257 0.447 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)[nH]c2=O)CC1 ZINC000932038314 641996784 /nfs/dbraw/zinc/99/67/84/641996784.db2.gz WAUSIFJNUYJGFP-UHFFFAOYSA-N 1 2 395.257 0.447 20 30 GCEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000825471694 642050140 /nfs/dbraw/zinc/05/01/40/642050140.db2.gz AKMHVNFISVDWEX-UHFFFAOYSA-N 1 2 395.257 0.719 20 30 GCEDLO N#Cc1c(Br)cccc1OCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000825471694 642050147 /nfs/dbraw/zinc/05/01/47/642050147.db2.gz AKMHVNFISVDWEX-UHFFFAOYSA-N 1 2 395.257 0.719 20 30 GCEDLO N#Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)sc1Cl ZINC001041422087 642074876 /nfs/dbraw/zinc/07/48/76/642074876.db2.gz VVVHTEGXMIIHPJ-GAJNKVMBSA-N 1 2 378.845 0.861 20 30 GCEDLO N#Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)sc1Cl ZINC001041422087 642074880 /nfs/dbraw/zinc/07/48/80/642074880.db2.gz VVVHTEGXMIIHPJ-GAJNKVMBSA-N 1 2 378.845 0.861 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C)C1 ZINC000903655905 642199136 /nfs/dbraw/zinc/19/91/36/642199136.db2.gz KULRHLSOTWARBE-HNNXBMFYSA-N 1 2 393.575 0.502 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C)C1 ZINC000903655905 642199138 /nfs/dbraw/zinc/19/91/38/642199138.db2.gz KULRHLSOTWARBE-HNNXBMFYSA-N 1 2 393.575 0.502 20 30 GCEDLO CN(C)C(=O)CN1c2ccc(Br)cc2C(=NNC2=[NH+]CCN2)C1=O ZINC000841660311 642317118 /nfs/dbraw/zinc/31/71/18/642317118.db2.gz WVSGVPRLKHLXIZ-UHFFFAOYSA-N 1 2 393.245 0.137 20 30 GCEDLO N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000585685281 1192367397 /nfs/dbraw/zinc/36/73/97/1192367397.db2.gz JXYUHQJUJUGORS-LJQANCHMSA-N 1 2 399.495 0.108 20 30 GCEDLO N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000585685281 1192367401 /nfs/dbraw/zinc/36/74/01/1192367401.db2.gz JXYUHQJUJUGORS-LJQANCHMSA-N 1 2 399.495 0.108 20 30 GCEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000473207901 1192393081 /nfs/dbraw/zinc/39/30/81/1192393081.db2.gz YYGLIKDVOQMXKB-GFCCVEGCSA-N 1 2 376.388 0.732 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058872689 1192413792 /nfs/dbraw/zinc/41/37/92/1192413792.db2.gz ABDNMKCBDLSHMO-KONPQCLYSA-N 1 2 390.484 0.442 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N ZINC000279507718 1192548121 /nfs/dbraw/zinc/54/81/21/1192548121.db2.gz QAQXWUYSPFVSAO-GASCZTMLSA-N 1 2 376.461 0.611 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N ZINC000279507718 1192548122 /nfs/dbraw/zinc/54/81/22/1192548122.db2.gz QAQXWUYSPFVSAO-GASCZTMLSA-N 1 2 376.461 0.611 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154779870 1184470033 /nfs/dbraw/zinc/47/00/33/1184470033.db2.gz YWCRHTNPNPMQDA-CQSZACIVSA-N 1 2 375.454 0.970 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154779748 1184470425 /nfs/dbraw/zinc/47/04/25/1184470425.db2.gz YWCRHTNPNPMQDA-AWEZNQCLSA-N 1 2 375.454 0.970 20 30 GCEDLO COc1ccc(CN2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1OCCCC#N ZINC000275489738 1184688928 /nfs/dbraw/zinc/68/89/28/1184688928.db2.gz BLQJWIXJHIHUAY-KRWDZBQOSA-N 1 2 390.484 0.996 20 30 GCEDLO COc1ccc(CN2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1OCCCC#N ZINC000275489738 1184688932 /nfs/dbraw/zinc/68/89/32/1184688932.db2.gz BLQJWIXJHIHUAY-KRWDZBQOSA-N 1 2 390.484 0.996 20 30 GCEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000784971103 1184784244 /nfs/dbraw/zinc/78/42/44/1184784244.db2.gz KVVDSYGUAHUGES-CABCVRRESA-N 1 2 390.440 0.067 20 30 GCEDLO C#CC1(F)CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC000891169764 1185006387 /nfs/dbraw/zinc/00/63/87/1185006387.db2.gz RVISUUGZIZFFII-UHFFFAOYSA-N 1 2 386.427 0.473 20 30 GCEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000275912577 1185269082 /nfs/dbraw/zinc/26/90/82/1185269082.db2.gz BMDQBLAFYRQPSK-CYBMUJFWSA-N 1 2 380.832 0.302 20 30 GCEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000261956059 1185292223 /nfs/dbraw/zinc/29/22/23/1185292223.db2.gz GRFUZNKKOJDTAR-ZDUSSCGKSA-N 1 2 376.398 0.535 20 30 GCEDLO Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001707891844 1185497206 /nfs/dbraw/zinc/49/72/06/1185497206.db2.gz DGXOZQSSLMYJFP-ZDUSSCGKSA-N 1 2 383.456 0.842 20 30 GCEDLO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000276092976 1185566937 /nfs/dbraw/zinc/56/69/37/1185566937.db2.gz PVUPIRBLKKVXLR-QGZVFWFLSA-N 1 2 391.468 0.732 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([S@@](C)(=O)=NC)c2)C1 ZINC000891603008 1185937116 /nfs/dbraw/zinc/93/71/16/1185937116.db2.gz MRWINVVSCNYUIH-QWXGXRTQSA-N 1 2 376.482 0.925 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([S@@](C)(=O)=NC)c2)C1 ZINC000891603008 1185937119 /nfs/dbraw/zinc/93/71/19/1185937119.db2.gz MRWINVVSCNYUIH-QWXGXRTQSA-N 1 2 376.482 0.925 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000891605403 1185939084 /nfs/dbraw/zinc/93/90/84/1185939084.db2.gz FDBRYIBMTRKZGB-MRXNPFEDSA-N 1 2 388.443 0.815 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000891605403 1185939086 /nfs/dbraw/zinc/93/90/86/1185939086.db2.gz FDBRYIBMTRKZGB-MRXNPFEDSA-N 1 2 388.443 0.815 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)C1 ZINC000891608336 1185939103 /nfs/dbraw/zinc/93/91/03/1185939103.db2.gz VBYYVFDAYUMASY-KRWDZBQOSA-N 1 2 384.436 0.791 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)C1 ZINC000891608336 1185939106 /nfs/dbraw/zinc/93/91/06/1185939106.db2.gz VBYYVFDAYUMASY-KRWDZBQOSA-N 1 2 384.436 0.791 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000891608001 1185939368 /nfs/dbraw/zinc/93/93/68/1185939368.db2.gz SURSWNKHKVUIAD-GFCCVEGCSA-N 1 2 381.429 0.382 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000891608001 1185939371 /nfs/dbraw/zinc/93/93/71/1185939371.db2.gz SURSWNKHKVUIAD-GFCCVEGCSA-N 1 2 381.429 0.382 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)C1 ZINC000891605405 1185939377 /nfs/dbraw/zinc/93/93/77/1185939377.db2.gz FENLABPBCGUXAU-MRXNPFEDSA-N 1 2 396.447 0.801 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)C1 ZINC000891605405 1185939380 /nfs/dbraw/zinc/93/93/80/1185939380.db2.gz FENLABPBCGUXAU-MRXNPFEDSA-N 1 2 396.447 0.801 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000891606100 1185939970 /nfs/dbraw/zinc/93/99/70/1185939970.db2.gz LCXAKIFOPBQYLG-MRXNPFEDSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000891606100 1185939974 /nfs/dbraw/zinc/93/99/74/1185939974.db2.gz LCXAKIFOPBQYLG-MRXNPFEDSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000891606099 1185940123 /nfs/dbraw/zinc/94/01/23/1185940123.db2.gz LCXAKIFOPBQYLG-INIZCTEOSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000891606099 1185940127 /nfs/dbraw/zinc/94/01/27/1185940127.db2.gz LCXAKIFOPBQYLG-INIZCTEOSA-N 1 2 398.463 0.311 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C(=O)NC)ccc2Cl)C1 ZINC000891605892 1185940140 /nfs/dbraw/zinc/94/01/40/1185940140.db2.gz BPYZTAQOXSBXNY-ZDUSSCGKSA-N 1 2 376.844 0.852 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C(=O)NC)ccc2Cl)C1 ZINC000891605892 1185940143 /nfs/dbraw/zinc/94/01/43/1185940143.db2.gz BPYZTAQOXSBXNY-ZDUSSCGKSA-N 1 2 376.844 0.852 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C1 ZINC000891606257 1185940240 /nfs/dbraw/zinc/94/02/40/1185940240.db2.gz DMAIXTZDMNRNLL-HNNXBMFYSA-N 1 2 386.452 0.549 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C1 ZINC000891606257 1185940242 /nfs/dbraw/zinc/94/02/42/1185940242.db2.gz DMAIXTZDMNRNLL-HNNXBMFYSA-N 1 2 386.452 0.549 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1 ZINC000891607026 1185941043 /nfs/dbraw/zinc/94/10/43/1185941043.db2.gz LBJUCERUUQRGCU-SFHVURJKSA-N 1 2 382.464 0.961 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1 ZINC000891607026 1185941047 /nfs/dbraw/zinc/94/10/47/1185941047.db2.gz LBJUCERUUQRGCU-SFHVURJKSA-N 1 2 382.464 0.961 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000891608413 1185941999 /nfs/dbraw/zinc/94/19/99/1185941999.db2.gz WFEAGPIMZPLDKW-OAHLLOKOSA-N 1 2 393.447 0.495 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1 ZINC000891608413 1185942003 /nfs/dbraw/zinc/94/20/03/1185942003.db2.gz WFEAGPIMZPLDKW-OAHLLOKOSA-N 1 2 393.447 0.495 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCCC ZINC001111489759 1185959613 /nfs/dbraw/zinc/95/96/13/1185959613.db2.gz KJXSEFFNLNNWJW-OAGGEKHMSA-N 1 2 380.489 0.927 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCCC ZINC001111489759 1185959617 /nfs/dbraw/zinc/95/96/17/1185959617.db2.gz KJXSEFFNLNNWJW-OAGGEKHMSA-N 1 2 380.489 0.927 20 30 GCEDLO Cc1nc2n(n1)C[C@@H](NC(=O)N1CCC(C(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000328853278 1185975623 /nfs/dbraw/zinc/97/56/23/1185975623.db2.gz JDZMWXUSPFXKQR-INIZCTEOSA-N 1 2 389.504 0.301 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NCC=C ZINC001111490105 1186035750 /nfs/dbraw/zinc/03/57/50/1186035750.db2.gz UCPQDKVJKDQOQH-FPCVCCKLSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NCC=C ZINC001111490105 1186035754 /nfs/dbraw/zinc/03/57/54/1186035754.db2.gz UCPQDKVJKDQOQH-FPCVCCKLSA-N 1 2 378.473 0.701 20 30 GCEDLO N#Cc1ncccc1S(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000277022795 1186229611 /nfs/dbraw/zinc/22/96/11/1186229611.db2.gz NAYPBYRMZMXFOX-UHFFFAOYSA-N 1 2 387.469 0.234 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277062473 1186236084 /nfs/dbraw/zinc/23/60/84/1186236084.db2.gz BXHUJZRMJFTJPL-CRAIPNDOSA-N 1 2 385.468 0.679 20 30 GCEDLO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000610952328 1186265575 /nfs/dbraw/zinc/26/55/75/1186265575.db2.gz TUIFJKYFYMLEKE-OAHLLOKOSA-N 1 2 396.451 0.903 20 30 GCEDLO C=CCC1(O)CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000891985644 1186294434 /nfs/dbraw/zinc/29/44/34/1186294434.db2.gz INUXZXKTPQHBSK-UHFFFAOYSA-N 1 2 391.472 0.083 20 30 GCEDLO COc1cc(C)[nH+]c(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)c1 ZINC000548617771 1186349865 /nfs/dbraw/zinc/34/98/65/1186349865.db2.gz JUVYUFHWYPUUPI-GFCCVEGCSA-N 1 2 385.445 0.268 20 30 GCEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000551397948 1186414726 /nfs/dbraw/zinc/41/47/26/1186414726.db2.gz YBITWZKWOQWWML-CQSZACIVSA-N 1 2 384.415 0.747 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCCn3cc[nH+]c3)CC2)c1C#N ZINC000551619240 1186430419 /nfs/dbraw/zinc/43/04/19/1186430419.db2.gz WDQWUENTPRIPJN-UHFFFAOYSA-N 1 2 398.471 0.042 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000120151392 1186545009 /nfs/dbraw/zinc/54/50/09/1186545009.db2.gz XPJWSYGPOCLEGR-UHFFFAOYSA-N 1 2 380.514 0.881 20 30 GCEDLO C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCCc2[nH+]ccn2CCC)C1=O ZINC000277699174 1186568705 /nfs/dbraw/zinc/56/87/05/1186568705.db2.gz XYMIPQGFCJAQMJ-UHFFFAOYSA-N 1 2 375.429 0.661 20 30 GCEDLO CN1C(=O)CC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329229074 1186880160 /nfs/dbraw/zinc/88/01/60/1186880160.db2.gz CIFOYOOIAIBRDW-AWEZNQCLSA-N 1 2 395.485 0.111 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1O ZINC001023913940 1187169565 /nfs/dbraw/zinc/16/95/65/1187169565.db2.gz RSNZDYYWPRHKLT-LHHMISFZSA-N 1 2 376.457 0.332 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1O ZINC001023939926 1187179798 /nfs/dbraw/zinc/17/97/98/1187179798.db2.gz SXMBJSDKHZJTFM-BORJPKMPSA-N 1 2 376.457 0.022 20 30 GCEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O ZINC001023950937 1187188087 /nfs/dbraw/zinc/18/80/87/1187188087.db2.gz AEDPSMFRQLGQCO-VDHUWJSZSA-N 1 2 382.464 0.255 20 30 GCEDLO C=CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)nn1 ZINC000972851529 1187277703 /nfs/dbraw/zinc/27/77/03/1187277703.db2.gz ORYOZYZCCJZHPC-VMUDFCTBSA-N 1 2 381.440 0.664 20 30 GCEDLO C=CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)nn1 ZINC000972851529 1187277707 /nfs/dbraw/zinc/27/77/07/1187277707.db2.gz ORYOZYZCCJZHPC-VMUDFCTBSA-N 1 2 381.440 0.664 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC[C@](C)(C#N)C2)CC1 ZINC000612162192 1187329331 /nfs/dbraw/zinc/32/93/31/1187329331.db2.gz LGLQLKAJAZUSKZ-LJQANCHMSA-N 1 2 382.472 0.638 20 30 GCEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCC[C@@](C)(C#N)C2)CC1 ZINC000612162184 1187329460 /nfs/dbraw/zinc/32/94/60/1187329460.db2.gz LGLQLKAJAZUSKZ-IBGZPJMESA-N 1 2 382.472 0.638 20 30 GCEDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000329958673 1187532483 /nfs/dbraw/zinc/53/24/83/1187532483.db2.gz QEJSYIRSCVUWSO-CQSZACIVSA-N 1 2 382.486 0.637 20 30 GCEDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000329958673 1187532489 /nfs/dbraw/zinc/53/24/89/1187532489.db2.gz QEJSYIRSCVUWSO-CQSZACIVSA-N 1 2 382.486 0.637 20 30 GCEDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329958673 1187532494 /nfs/dbraw/zinc/53/24/94/1187532494.db2.gz QEJSYIRSCVUWSO-CQSZACIVSA-N 1 2 382.486 0.637 20 30 GCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000414108596 1187718059 /nfs/dbraw/zinc/71/80/59/1187718059.db2.gz MBVQPMQXUREHHK-KUHUBIRLSA-N 1 2 388.424 0.431 20 30 GCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000414108596 1187718060 /nfs/dbraw/zinc/71/80/60/1187718060.db2.gz MBVQPMQXUREHHK-KUHUBIRLSA-N 1 2 388.424 0.431 20 30 GCEDLO COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414108730 1187718262 /nfs/dbraw/zinc/71/82/62/1187718262.db2.gz MJBZCLFHNZDGDT-FOIQADDNSA-N 1 2 386.452 0.985 20 30 GCEDLO COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414108730 1187718263 /nfs/dbraw/zinc/71/82/63/1187718263.db2.gz MJBZCLFHNZDGDT-FOIQADDNSA-N 1 2 386.452 0.985 20 30 GCEDLO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C[NH+]1CCN(C)CC1 ZINC000122253615 1187974837 /nfs/dbraw/zinc/97/48/37/1187974837.db2.gz DOAJAZQLUWSVTL-ZDUSSCGKSA-N 1 2 381.458 0.628 20 30 GCEDLO CC(C)[NH+]1CCN([C@@H]2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)CC1 ZINC000377566770 1188074918 /nfs/dbraw/zinc/07/49/18/1188074918.db2.gz XDOFQRLXWCCSGV-GOSISDBHSA-N 1 2 391.541 0.827 20 30 GCEDLO N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNc2cccc[nH+]2)n1 ZINC000377923692 1189375791 /nfs/dbraw/zinc/37/57/91/1189375791.db2.gz QYOMEFCXFHOGIX-UHFFFAOYSA-N 1 2 376.380 0.701 20 30 GCEDLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290397497 1189383329 /nfs/dbraw/zinc/38/33/29/1189383329.db2.gz SRHATIQMEIRDAE-ZBFHGGJFSA-N 1 2 394.497 0.590 20 30 GCEDLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290397497 1189383333 /nfs/dbraw/zinc/38/33/33/1189383333.db2.gz SRHATIQMEIRDAE-ZBFHGGJFSA-N 1 2 394.497 0.590 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(COC)n1)C2 ZINC001111494546 1189796125 /nfs/dbraw/zinc/79/61/25/1189796125.db2.gz VURNWNVMNCVVBX-JLNYLFASSA-N 1 2 376.482 0.763 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(COC)n1)C2 ZINC001111494546 1189796128 /nfs/dbraw/zinc/79/61/28/1189796128.db2.gz VURNWNVMNCVVBX-JLNYLFASSA-N 1 2 376.482 0.763 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2N(C)C(=O)C2CC2)CC1 ZINC000729257266 1193909751 /nfs/dbraw/zinc/90/97/51/1193909751.db2.gz YYNFYAOAXCLKTJ-UHFFFAOYSA-N 1 2 396.491 0.957 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2N(C)C(=O)C2CC2)CC1 ZINC000729257266 1193909754 /nfs/dbraw/zinc/90/97/54/1193909754.db2.gz YYNFYAOAXCLKTJ-UHFFFAOYSA-N 1 2 396.491 0.957 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000729256512 1193909912 /nfs/dbraw/zinc/90/99/12/1193909912.db2.gz AKEVCWJXZOJCTI-UHFFFAOYSA-N 1 2 380.452 0.224 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 ZINC000729256512 1193909913 /nfs/dbraw/zinc/90/99/13/1193909913.db2.gz AKEVCWJXZOJCTI-UHFFFAOYSA-N 1 2 380.452 0.224 20 30 GCEDLO CCC(CC)(NC(=O)C1C[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1)C(N)=O ZINC000513270194 1193930697 /nfs/dbraw/zinc/93/06/97/1193930697.db2.gz ATWDSRMIMLFODN-FZKQIMNGSA-N 1 2 379.505 0.521 20 30 GCEDLO CCOC(=O)c1c(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)c(C#N)cn1CC ZINC000421203398 1194308655 /nfs/dbraw/zinc/30/86/55/1194308655.db2.gz DAAWRCBLMHSNQK-GFCCVEGCSA-N 1 2 375.429 0.657 20 30 GCEDLO CCOC(=O)c1c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)c(C#N)cn1CC ZINC000421203398 1194308660 /nfs/dbraw/zinc/30/86/60/1194308660.db2.gz DAAWRCBLMHSNQK-GFCCVEGCSA-N 1 2 375.429 0.657 20 30 GCEDLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000421411682 1194338333 /nfs/dbraw/zinc/33/83/33/1194338333.db2.gz CKONSHAKHHLLHN-OAHLLOKOSA-N 1 2 388.468 0.541 20 30 GCEDLO COCC(COC)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000421411681 1194338524 /nfs/dbraw/zinc/33/85/24/1194338524.db2.gz CKONSHAKHHLLHN-HNNXBMFYSA-N 1 2 388.468 0.541 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1OCC ZINC000983035419 1194344194 /nfs/dbraw/zinc/34/41/94/1194344194.db2.gz NAGVVMACRGVOFI-ZJPYXAASSA-N 1 2 390.484 0.844 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367084829 1194366556 /nfs/dbraw/zinc/36/65/56/1194366556.db2.gz NZJUQZBRTNEZSS-KSSFIOAISA-N 1 2 399.476 0.793 20 30 GCEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273344043 1194556390 /nfs/dbraw/zinc/55/63/90/1194556390.db2.gz OHDXMFRWKFYANT-MRXNPFEDSA-N 1 2 378.429 0.882 20 30 GCEDLO Cn1c[nH+]c(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000422313397 1194610778 /nfs/dbraw/zinc/61/07/78/1194610778.db2.gz VCXYPSIFADYJNZ-INIZCTEOSA-N 1 2 398.442 0.875 20 30 GCEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000422527280 1194662511 /nfs/dbraw/zinc/66/25/11/1194662511.db2.gz LOFYUSMEADPSKY-MOPGFXCFSA-N 1 2 389.496 0.442 20 30 GCEDLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1S(=O)(=O)NCC#N ZINC000505530015 1194872334 /nfs/dbraw/zinc/87/23/34/1194872334.db2.gz LYLHHBNTAOEETD-KRWDZBQOSA-N 1 2 399.476 0.979 20 30 GCEDLO C[C@]1(n2cc(CN(CCC#N)CC[NH+]3CCOCC3)cn2)CCS(=O)(=O)C1 ZINC000434984656 1194881671 /nfs/dbraw/zinc/88/16/71/1194881671.db2.gz BMHGRSIBYWIUHX-SFHVURJKSA-N 1 2 395.529 0.465 20 30 GCEDLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1S(=O)(=O)NCC#N ZINC000505703520 1194940601 /nfs/dbraw/zinc/94/06/01/1194940601.db2.gz QYTNUGXERLGOSC-KRWDZBQOSA-N 1 2 399.476 0.979 20 30 GCEDLO Cc1cc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)ccc1C#N ZINC000435713309 1194959662 /nfs/dbraw/zinc/95/96/62/1194959662.db2.gz CNNXMPLNKKZNOT-UHFFFAOYSA-N 1 2 390.469 0.542 20 30 GCEDLO CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1 ZINC000516878092 1195108467 /nfs/dbraw/zinc/10/84/67/1195108467.db2.gz XKUWEQJPLXBCKH-UHFFFAOYSA-N 1 2 397.482 0.442 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c2)CC1 ZINC000437417734 1195108514 /nfs/dbraw/zinc/10/85/14/1195108514.db2.gz DNIFIAIAVCXRCY-HNNXBMFYSA-N 1 2 385.468 0.907 20 30 GCEDLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427285027 1195525561 /nfs/dbraw/zinc/52/55/61/1195525561.db2.gz RQVYDWKBJZCLBZ-UHFFFAOYSA-N 1 2 394.432 0.372 20 30 GCEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCNC1=O ZINC000440958183 1195590560 /nfs/dbraw/zinc/59/05/60/1195590560.db2.gz JMOQUIZISODXLN-HUUCEWRRSA-N 1 2 375.498 0.667 20 30 GCEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCNC1=O ZINC000440958183 1195590564 /nfs/dbraw/zinc/59/05/64/1195590564.db2.gz JMOQUIZISODXLN-HUUCEWRRSA-N 1 2 375.498 0.667 20 30 GCEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000550389078 1195652494 /nfs/dbraw/zinc/65/24/94/1195652494.db2.gz WUBULMBKDQTHFN-GOSISDBHSA-N 1 2 375.469 0.665 20 30 GCEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000550389078 1195652495 /nfs/dbraw/zinc/65/24/95/1195652495.db2.gz WUBULMBKDQTHFN-GOSISDBHSA-N 1 2 375.469 0.665 20 30 GCEDLO COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000328716111 1195662547 /nfs/dbraw/zinc/66/25/47/1195662547.db2.gz TVECCOCNTWFECO-HZPDHXFCSA-N 1 2 392.504 0.698 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000328958783 1195682402 /nfs/dbraw/zinc/68/24/02/1195682402.db2.gz JVZXKIOLSFNWLV-INDMIFKZSA-N 1 2 378.517 0.541 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000328958783 1195682404 /nfs/dbraw/zinc/68/24/04/1195682404.db2.gz JVZXKIOLSFNWLV-INDMIFKZSA-N 1 2 378.517 0.541 20 30 GCEDLO CC1(C)C[N@H+](CCNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CCO1 ZINC000330414764 1195687742 /nfs/dbraw/zinc/68/77/42/1195687742.db2.gz ADHALWMMVCBIBY-HNNXBMFYSA-N 1 2 390.550 0.805 20 30 GCEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CCO1 ZINC000330414764 1195687747 /nfs/dbraw/zinc/68/77/47/1195687747.db2.gz ADHALWMMVCBIBY-HNNXBMFYSA-N 1 2 390.550 0.805 20 30 GCEDLO CCCS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000330644882 1195698699 /nfs/dbraw/zinc/69/86/99/1195698699.db2.gz HVXUGGPAMUESRT-HNNXBMFYSA-N 1 2 389.566 0.330 20 30 GCEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C(=O)N1CCCC[C@@H]1C ZINC000331245481 1195725749 /nfs/dbraw/zinc/72/57/49/1195725749.db2.gz PHUXPQJFDUSWKZ-SOUVJXGZSA-N 1 2 383.493 0.858 20 30 GCEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C(=O)N1CCCC[C@@H]1C ZINC000331245481 1195725751 /nfs/dbraw/zinc/72/57/51/1195725751.db2.gz PHUXPQJFDUSWKZ-SOUVJXGZSA-N 1 2 383.493 0.858 20 30 GCEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000054255463 1195731877 /nfs/dbraw/zinc/73/18/77/1195731877.db2.gz SPRYXGIJCCQZQY-UHFFFAOYSA-N 1 2 384.461 0.956 20 30 GCEDLO C=CCN(CCOC)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000550470799 1196049116 /nfs/dbraw/zinc/04/91/16/1196049116.db2.gz UTAMWNRSAZPZAS-UHFFFAOYSA-N 1 2 375.469 0.796 20 30 GCEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[NH+](CCO)CC3)C2)C1 ZINC000895583634 1196102188 /nfs/dbraw/zinc/10/21/88/1196102188.db2.gz NNTIEEVJKZGKCT-NGEICVOHSA-N 1 2 392.500 0.910 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(O[C@H](C)C(=O)OC)cc2)CC1 ZINC000895916082 1196117857 /nfs/dbraw/zinc/11/78/57/1196117857.db2.gz VGTNBDITAOXDAO-OAHLLOKOSA-N 1 2 395.481 0.212 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000896180515 1196132265 /nfs/dbraw/zinc/13/22/65/1196132265.db2.gz DHKOEFJNSMPTPL-SFHVURJKSA-N 1 2 391.512 0.636 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000896180515 1196132269 /nfs/dbraw/zinc/13/22/69/1196132269.db2.gz DHKOEFJNSMPTPL-SFHVURJKSA-N 1 2 391.512 0.636 20 30 GCEDLO C[C@H](NC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329138589 1196167224 /nfs/dbraw/zinc/16/72/24/1196167224.db2.gz SALNCWFNRCWWQJ-TXPKVOOTSA-N 1 2 382.505 0.459 20 30 GCEDLO Cc1nc2n(n1)CCN(C(=O)N[C@@H]1CCC(=O)N(C3CC3)[C@H]1c1c[nH+]cn1C)C2 ZINC000329259891 1196180421 /nfs/dbraw/zinc/18/04/21/1196180421.db2.gz AKAZTFJFOAGOAS-RDTXWAMCSA-N 1 2 398.471 0.944 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)ccn2)CC1 ZINC000329270344 1196181984 /nfs/dbraw/zinc/18/19/84/1196181984.db2.gz HKOKNTBCAQIOFG-CQSZACIVSA-N 1 2 386.456 0.368 20 30 GCEDLO Cc1[nH+]ccn1CCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329321336 1196185253 /nfs/dbraw/zinc/18/52/53/1196185253.db2.gz JCVWTCHIWUKRKE-OAHLLOKOSA-N 1 2 385.490 0.232 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000329362803 1196188877 /nfs/dbraw/zinc/18/88/77/1196188877.db2.gz IYNBBWHFMRCKKV-DLBZAZTESA-N 1 2 379.461 0.641 20 30 GCEDLO CC(=O)N1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000329416717 1196194007 /nfs/dbraw/zinc/19/40/07/1196194007.db2.gz GFXXVTFLSWBMHB-CQSZACIVSA-N 1 2 388.472 0.567 20 30 GCEDLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000329617624 1196210440 /nfs/dbraw/zinc/21/04/40/1196210440.db2.gz QFZPWJNWYVCBPH-CJNGLKHVSA-N 1 2 392.485 0.869 20 30 GCEDLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329657495 1196216112 /nfs/dbraw/zinc/21/61/12/1196216112.db2.gz MZAHUCOZNJSTBA-QWHCGFSZSA-N 1 2 378.395 0.860 20 30 GCEDLO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329657497 1196216217 /nfs/dbraw/zinc/21/62/17/1196216217.db2.gz MZAHUCOZNJSTBA-STQMWFEESA-N 1 2 378.395 0.860 20 30 GCEDLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329689230 1196221842 /nfs/dbraw/zinc/22/18/42/1196221842.db2.gz VPUUDNYDHALTSX-ZBFHGGJFSA-N 1 2 396.513 0.238 20 30 GCEDLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329689230 1196221844 /nfs/dbraw/zinc/22/18/44/1196221844.db2.gz VPUUDNYDHALTSX-ZBFHGGJFSA-N 1 2 396.513 0.238 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000329755356 1196229692 /nfs/dbraw/zinc/22/96/92/1196229692.db2.gz LNNBCBUOJJYBFY-SJORKVTESA-N 1 2 392.500 0.525 20 30 GCEDLO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000329803474 1196232363 /nfs/dbraw/zinc/23/23/63/1196232363.db2.gz JSWZJPBJLHXUEQ-CVEARBPZSA-N 1 2 387.550 0.589 20 30 GCEDLO COCCOC1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329851450 1196234608 /nfs/dbraw/zinc/23/46/08/1196234608.db2.gz QUHAJQWLBYBHMX-UHFFFAOYSA-N 1 2 377.445 0.362 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330019229 1196246648 /nfs/dbraw/zinc/24/66/48/1196246648.db2.gz USZCYUVGGMTDDV-WMZOPIPTSA-N 1 2 394.516 0.519 20 30 GCEDLO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330019229 1196246652 /nfs/dbraw/zinc/24/66/52/1196246652.db2.gz USZCYUVGGMTDDV-WMZOPIPTSA-N 1 2 394.516 0.519 20 30 GCEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCOC2(CCOCC2)C1 ZINC000330126976 1196254916 /nfs/dbraw/zinc/25/49/16/1196254916.db2.gz CJBNUJURAXDKOM-KRWDZBQOSA-N 1 2 385.530 0.990 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNC(=O)CCC2CCCC2)CC1 ZINC000112904304 1196493833 /nfs/dbraw/zinc/49/38/33/1196493833.db2.gz FIDRPHJXLQIBFS-UHFFFAOYSA-N 1 2 376.501 0.357 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)CCC2CCCC2)CC1 ZINC000112904304 1196493838 /nfs/dbraw/zinc/49/38/38/1196493838.db2.gz FIDRPHJXLQIBFS-UHFFFAOYSA-N 1 2 376.501 0.357 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCn2c3ccccc3n(C)c2=O)CC1 ZINC000112904251 1196493916 /nfs/dbraw/zinc/49/39/16/1196493916.db2.gz VOIZFHQPLWLTLU-UHFFFAOYSA-N 1 2 397.479 0.014 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCn2c3ccccc3n(C)c2=O)CC1 ZINC000112904251 1196493918 /nfs/dbraw/zinc/49/39/18/1196493918.db2.gz VOIZFHQPLWLTLU-UHFFFAOYSA-N 1 2 397.479 0.014 20 30 GCEDLO N#Cc1ccc(N2C[C@H](C(=O)N3CC[NH+](CCO)CC3)CC2=O)cc1Cl ZINC000448673609 1196824328 /nfs/dbraw/zinc/82/43/28/1196824328.db2.gz SSDIDLGCSKNAST-CQSZACIVSA-N 1 2 376.844 0.701 20 30 GCEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448698933 1196824678 /nfs/dbraw/zinc/82/46/78/1196824678.db2.gz RMIISXXGUGRTPN-RHSMWYFYSA-N 1 2 377.470 0.199 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)c1C#N ZINC000530461118 1196990006 /nfs/dbraw/zinc/99/00/06/1196990006.db2.gz CAEKSXAIBYFKJZ-AWEZNQCLSA-N 1 2 375.477 0.153 20 30 GCEDLO CN1CCN(S(=O)(=O)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000051768463 1197274752 /nfs/dbraw/zinc/27/47/52/1197274752.db2.gz MDCGLSWUWFJRFG-UHFFFAOYSA-N 1 2 393.513 0.047 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)n(CCC#N)n1 ZINC000532993990 1197424889 /nfs/dbraw/zinc/42/48/89/1197424889.db2.gz AXSRSQWSIZGNIM-JKSUJKDBSA-N 1 2 388.472 0.803 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 ZINC000273262753 1197563089 /nfs/dbraw/zinc/56/30/89/1197563089.db2.gz CKBLLISLRURXRR-QGZVFWFLSA-N 1 2 386.452 0.147 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 ZINC000273262753 1197563092 /nfs/dbraw/zinc/56/30/92/1197563092.db2.gz CKBLLISLRURXRR-QGZVFWFLSA-N 1 2 386.452 0.147 20 30 GCEDLO N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)n2)c1 ZINC000273524979 1199026547 /nfs/dbraw/zinc/02/65/47/1199026547.db2.gz QJTAMHLUHNZGHX-UHFFFAOYSA-N 1 2 385.449 0.757 20 30 GCEDLO Cn1c(=O)c(C#N)c(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)n(C)c1=O ZINC000301628729 1199035311 /nfs/dbraw/zinc/03/53/11/1199035311.db2.gz IGAJDSMFJAUCBZ-DLBZAZTESA-N 1 2 381.436 0.045 20 30 GCEDLO Cn1c(=O)c(C#N)c(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)n(C)c1=O ZINC000301628729 1199035313 /nfs/dbraw/zinc/03/53/13/1199035313.db2.gz IGAJDSMFJAUCBZ-DLBZAZTESA-N 1 2 381.436 0.045 20 30 GCEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328915811 1199827246 /nfs/dbraw/zinc/82/72/46/1199827246.db2.gz JXDSDPUTEHXZBV-OAHLLOKOSA-N 1 2 399.476 0.850 20 30 GCEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1 ZINC001004722036 1199917857 /nfs/dbraw/zinc/91/78/57/1199917857.db2.gz MWAHLHSPXVKYKR-OIISXLGYSA-N 1 2 379.420 0.852 20 30 GCEDLO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000171992339 1200251432 /nfs/dbraw/zinc/25/14/32/1200251432.db2.gz FCCINHKNSZOFBO-AWEZNQCLSA-N 1 2 398.423 0.405 20 30 GCEDLO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000171992339 1200251435 /nfs/dbraw/zinc/25/14/35/1200251435.db2.gz FCCINHKNSZOFBO-AWEZNQCLSA-N 1 2 398.423 0.405 20 30 GCEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)[C@@H](n2ccnn2)C1 ZINC001128999026 1200400048 /nfs/dbraw/zinc/40/00/48/1200400048.db2.gz NJLAOFLSQIDXGB-MANSERQUSA-N 1 2 380.452 0.468 20 30 GCEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)[C@@H](n2ccnn2)C1 ZINC001128999026 1200400051 /nfs/dbraw/zinc/40/00/51/1200400051.db2.gz NJLAOFLSQIDXGB-MANSERQUSA-N 1 2 380.452 0.468 20 30 GCEDLO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)no1 ZINC000528337478 1200844880 /nfs/dbraw/zinc/84/48/80/1200844880.db2.gz BNPDTGRHJRQFSH-QGZVFWFLSA-N 1 2 399.451 0.851 20 30 GCEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000282542429 1200958604 /nfs/dbraw/zinc/95/86/04/1200958604.db2.gz DIPLPWXIFPOWPB-HOTGVXAUSA-N 1 2 380.518 0.518 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000923587900 1201168020 /nfs/dbraw/zinc/16/80/20/1201168020.db2.gz FNFVPAIQPKZRLO-INIZCTEOSA-N 1 2 396.447 0.709 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000923587900 1201168024 /nfs/dbraw/zinc/16/80/24/1201168024.db2.gz FNFVPAIQPKZRLO-INIZCTEOSA-N 1 2 396.447 0.709 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000923589081 1201169155 /nfs/dbraw/zinc/16/91/55/1201169155.db2.gz MQUFSQJOLPCPCB-AWEZNQCLSA-N 1 2 381.454 0.128 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000923589081 1201169158 /nfs/dbraw/zinc/16/91/58/1201169158.db2.gz MQUFSQJOLPCPCB-AWEZNQCLSA-N 1 2 381.454 0.128 20 30 GCEDLO N#Cc1nccc(N2CC[C@@H]([NH+]3CCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)CC3)C2)n1 ZINC001065197815 1201245922 /nfs/dbraw/zinc/24/59/22/1201245922.db2.gz BESXMGZVGNTTSX-VQHPVUNQSA-N 1 2 382.468 0.639 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)nn2C)C[C@H]1C ZINC001080475358 1201276333 /nfs/dbraw/zinc/27/63/33/1201276333.db2.gz IEWJRFJUUWRCES-MIGQKNRLSA-N 1 2 375.473 0.695 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)Nc2cc(C)nn2C)C[C@H]1C ZINC001080475358 1201276340 /nfs/dbraw/zinc/27/63/40/1201276340.db2.gz IEWJRFJUUWRCES-MIGQKNRLSA-N 1 2 375.473 0.695 20 30 GCEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1OCCO[C@H]1C ZINC001081810076 1201303144 /nfs/dbraw/zinc/30/31/44/1201303144.db2.gz GZINWHJCZJEFFO-XKDXWZMYSA-N 1 2 377.416 0.817 20 30 GCEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1OCCO[C@H]1C ZINC001081810076 1201303149 /nfs/dbraw/zinc/30/31/49/1201303149.db2.gz GZINWHJCZJEFFO-XKDXWZMYSA-N 1 2 377.416 0.817 20 30 GCEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)c(F)c1 ZINC001084659003 1201423816 /nfs/dbraw/zinc/42/38/16/1201423816.db2.gz JNUHDUAHJONWDS-NRSFXHEJSA-N 1 2 386.427 0.763 20 30 GCEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)c(F)c1 ZINC001084659003 1201423818 /nfs/dbraw/zinc/42/38/18/1201423818.db2.gz JNUHDUAHJONWDS-NRSFXHEJSA-N 1 2 386.427 0.763 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000730279675 1201442881 /nfs/dbraw/zinc/44/28/81/1201442881.db2.gz QDCGSXWJNRXPMU-HNNXBMFYSA-N 1 2 378.473 0.280 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000730279675 1201442887 /nfs/dbraw/zinc/44/28/87/1201442887.db2.gz QDCGSXWJNRXPMU-HNNXBMFYSA-N 1 2 378.473 0.280 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cncc(-c3cnn(C)c3)c2)CC1 ZINC000733149557 1201576949 /nfs/dbraw/zinc/57/69/49/1201576949.db2.gz KIYOHNKFESBLDR-UHFFFAOYSA-N 1 2 380.452 0.379 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cncc(-c3cnn(C)c3)c2)CC1 ZINC000733149557 1201576952 /nfs/dbraw/zinc/57/69/52/1201576952.db2.gz KIYOHNKFESBLDR-UHFFFAOYSA-N 1 2 380.452 0.379 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000733148733 1201577148 /nfs/dbraw/zinc/57/71/48/1201577148.db2.gz JZLVJCFVEGWZHT-IBGZPJMESA-N 1 2 398.463 0.084 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000733148733 1201577149 /nfs/dbraw/zinc/57/71/49/1201577149.db2.gz JZLVJCFVEGWZHT-IBGZPJMESA-N 1 2 398.463 0.084 20 30 GCEDLO C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000733665415 1201600697 /nfs/dbraw/zinc/60/06/97/1201600697.db2.gz UPASCUGIPHWGCS-UHFFFAOYSA-N 1 2 379.420 0.799 20 30 GCEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000734216924 1201646232 /nfs/dbraw/zinc/64/62/32/1201646232.db2.gz ZZUSMRABABVMAB-MJWGMMHASA-N 1 2 398.467 0.996 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000742067223 1201789234 /nfs/dbraw/zinc/78/92/34/1201789234.db2.gz JPKNDXWWRWOIID-UHFFFAOYSA-N 1 2 397.454 0.838 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000742067223 1201789236 /nfs/dbraw/zinc/78/92/36/1201789236.db2.gz JPKNDXWWRWOIID-UHFFFAOYSA-N 1 2 397.454 0.838 20 30 GCEDLO C[C@H](CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742635623 1201804008 /nfs/dbraw/zinc/80/40/08/1201804008.db2.gz ALWGIRBOUXYNRO-KGLIPLIRSA-N 1 2 394.497 0.341 20 30 GCEDLO C[C@H](CC(=O)NCC[N@H+]1CCOC[C@@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742635623 1201804009 /nfs/dbraw/zinc/80/40/09/1201804009.db2.gz ALWGIRBOUXYNRO-KGLIPLIRSA-N 1 2 394.497 0.341 20 30 GCEDLO C#CCCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000743693313 1201822555 /nfs/dbraw/zinc/82/25/55/1201822555.db2.gz POMKBVOEXWNXOE-UHFFFAOYSA-N 1 2 379.486 0.246 20 30 GCEDLO C=CCOCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2=O)C1 ZINC001108554962 1201956538 /nfs/dbraw/zinc/95/65/38/1201956538.db2.gz BKWAGMURJQKGQN-JHDROBOHSA-N 1 2 377.485 0.405 20 30 GCEDLO C#CCC(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767070643 1201965514 /nfs/dbraw/zinc/96/55/14/1201965514.db2.gz CHAKQGYUKNQQNE-UHFFFAOYSA-N 1 2 378.498 0.699 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnsn1)C2 ZINC001108980878 1201986876 /nfs/dbraw/zinc/98/68/76/1201986876.db2.gz SSRMPKDMHWBBND-DCQANWLSSA-N 1 2 378.458 0.274 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnsn1)C2 ZINC001108980878 1201986877 /nfs/dbraw/zinc/98/68/77/1201986877.db2.gz SSRMPKDMHWBBND-DCQANWLSSA-N 1 2 378.458 0.274 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)nc1)C2 ZINC001109072864 1201992768 /nfs/dbraw/zinc/99/27/68/1201992768.db2.gz RXSNHSMERKQVLQ-RDBSUJKOSA-N 1 2 375.404 0.568 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)nc1)C2 ZINC001109072864 1201992770 /nfs/dbraw/zinc/99/27/70/1201992770.db2.gz RXSNHSMERKQVLQ-RDBSUJKOSA-N 1 2 375.404 0.568 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccon1)C2 ZINC001109099824 1201994335 /nfs/dbraw/zinc/99/43/35/1201994335.db2.gz YDBNQCUSEOOIRL-ATGSNQNLSA-N 1 2 375.429 0.339 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccon1)C2 ZINC001109099824 1201994337 /nfs/dbraw/zinc/99/43/37/1201994337.db2.gz YDBNQCUSEOOIRL-ATGSNQNLSA-N 1 2 375.429 0.339 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCCC)C2 ZINC001109103866 1201994507 /nfs/dbraw/zinc/99/45/07/1201994507.db2.gz VUUFOSKDEXTUNC-WCVJEAGWSA-N 1 2 380.489 0.925 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCCC)C2 ZINC001109103866 1201994508 /nfs/dbraw/zinc/99/45/08/1201994508.db2.gz VUUFOSKDEXTUNC-WCVJEAGWSA-N 1 2 380.489 0.925 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)c1ccccc1 ZINC001109088833 1201994858 /nfs/dbraw/zinc/99/48/58/1201994858.db2.gz SLJIPFDFSQSREH-FSDCSDTHSA-N 1 2 376.482 0.846 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)c1ccccc1 ZINC001109088833 1201994859 /nfs/dbraw/zinc/99/48/59/1201994859.db2.gz SLJIPFDFSQSREH-FSDCSDTHSA-N 1 2 376.482 0.846 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC001109088579 1201994886 /nfs/dbraw/zinc/99/48/86/1201994886.db2.gz PKUZQUQXKNQDES-ZNSHCXBVSA-N 1 2 375.351 0.256 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(F)(F)F ZINC001109088579 1201994887 /nfs/dbraw/zinc/99/48/87/1201994887.db2.gz PKUZQUQXKNQDES-ZNSHCXBVSA-N 1 2 375.351 0.256 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCCO1)C2 ZINC001109128931 1201997685 /nfs/dbraw/zinc/99/76/85/1201997685.db2.gz MRIIICJLSSZDKG-WCVJEAGWSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCCCO1)C2 ZINC001109128931 1201997686 /nfs/dbraw/zinc/99/76/86/1201997686.db2.gz MRIIICJLSSZDKG-WCVJEAGWSA-N 1 2 378.473 0.679 20 30 GCEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2cccnc2)c[nH]1 ZINC001109175011 1202001275 /nfs/dbraw/zinc/00/12/75/1202001275.db2.gz ZWPCQIBGEXGFRV-SQNIBIBYSA-N 1 2 378.436 0.933 20 30 GCEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2cccnc2)c[nH]1 ZINC001109175011 1202001277 /nfs/dbraw/zinc/00/12/77/1202001277.db2.gz ZWPCQIBGEXGFRV-SQNIBIBYSA-N 1 2 378.436 0.933 20 30 GCEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCCC ZINC001109204762 1202004523 /nfs/dbraw/zinc/00/45/23/1202004523.db2.gz XHDBBXNQFMACRD-QZNHQWIBSA-N 1 2 380.489 0.661 20 30 GCEDLO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCCC ZINC001109204762 1202004525 /nfs/dbraw/zinc/00/45/25/1202004525.db2.gz XHDBBXNQFMACRD-QZNHQWIBSA-N 1 2 380.489 0.661 20 30 GCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109251601 1202009164 /nfs/dbraw/zinc/00/91/64/1202009164.db2.gz BJSIPHUMPUZWOR-FZKCQIBNSA-N 1 2 378.473 0.228 20 30 GCEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C#CC(C)C)C2 ZINC001109251601 1202009167 /nfs/dbraw/zinc/00/91/67/1202009167.db2.gz BJSIPHUMPUZWOR-FZKCQIBNSA-N 1 2 378.473 0.228 20 30 GCEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109266434 1202010041 /nfs/dbraw/zinc/01/00/41/1202010041.db2.gz BWBSLZWSBGQKME-KBXIAJHMSA-N 1 2 378.473 0.371 20 30 GCEDLO C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC(C)(C)C ZINC001109266434 1202010043 /nfs/dbraw/zinc/01/00/43/1202010043.db2.gz BWBSLZWSBGQKME-KBXIAJHMSA-N 1 2 378.473 0.371 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CO[C@H]1CCOC1)C2 ZINC001109274137 1202011039 /nfs/dbraw/zinc/01/10/39/1202011039.db2.gz GAMTUGOFMAQDAI-QZWWFDLISA-N 1 2 378.473 0.276 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CO[C@H]1CCOC1)C2 ZINC001109274137 1202011043 /nfs/dbraw/zinc/01/10/43/1202011043.db2.gz GAMTUGOFMAQDAI-QZWWFDLISA-N 1 2 378.473 0.276 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]cc1-c1cnn(C)c1)C2 ZINC001109277595 1202013792 /nfs/dbraw/zinc/01/37/92/1202013792.db2.gz FSKNHOJQZBWBET-JLSDUUJJSA-N 1 2 380.452 0.500 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]cc1-c1cnn(C)c1)C2 ZINC001109277595 1202013796 /nfs/dbraw/zinc/01/37/96/1202013796.db2.gz FSKNHOJQZBWBET-JLSDUUJJSA-N 1 2 380.452 0.500 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)C2 ZINC001109301893 1202017480 /nfs/dbraw/zinc/01/74/80/1202017480.db2.gz PALAQURNKYNDPC-QQXKLLMISA-N 1 2 395.507 0.625 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)C2 ZINC001109301893 1202017482 /nfs/dbraw/zinc/01/74/82/1202017482.db2.gz PALAQURNKYNDPC-QQXKLLMISA-N 1 2 395.507 0.625 20 30 GCEDLO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109323049 1202019947 /nfs/dbraw/zinc/01/99/47/1202019947.db2.gz CWLIDLKKAQZVQB-OJLVUWQFSA-N 1 2 375.473 0.043 20 30 GCEDLO C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109323049 1202019950 /nfs/dbraw/zinc/01/99/50/1202019950.db2.gz CWLIDLKKAQZVQB-OJLVUWQFSA-N 1 2 375.473 0.043 20 30 GCEDLO CCC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(CC)CCC#N ZINC001109324007 1202020484 /nfs/dbraw/zinc/02/04/84/1202020484.db2.gz RFQWPOCTMYSFID-WCVJEAGWSA-N 1 2 377.489 0.385 20 30 GCEDLO CCC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(CC)CCC#N ZINC001109324007 1202020486 /nfs/dbraw/zinc/02/04/86/1202020486.db2.gz RFQWPOCTMYSFID-WCVJEAGWSA-N 1 2 377.489 0.385 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 ZINC001109404563 1202038907 /nfs/dbraw/zinc/03/89/07/1202038907.db2.gz AIMRAZHXWAAVSM-QYZOEREBSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 ZINC001109404563 1202038910 /nfs/dbraw/zinc/03/89/10/1202038910.db2.gz AIMRAZHXWAAVSM-QYZOEREBSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1c(C)csc1=O)C2 ZINC001109408158 1202040918 /nfs/dbraw/zinc/04/09/18/1202040918.db2.gz JTUNFUSAHKGMEF-ILXRZTDVSA-N 1 2 376.482 0.079 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1c(C)csc1=O)C2 ZINC001109408158 1202040921 /nfs/dbraw/zinc/04/09/21/1202040921.db2.gz JTUNFUSAHKGMEF-ILXRZTDVSA-N 1 2 376.482 0.079 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)c3ccccc31)C2 ZINC001109415011 1202042435 /nfs/dbraw/zinc/04/24/35/1202042435.db2.gz YLLXIBCLRWGPKE-ZSGPHXLJSA-N 1 2 382.464 0.537 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CNC(=O)c3ccccc31)C2 ZINC001109415011 1202042436 /nfs/dbraw/zinc/04/24/36/1202042436.db2.gz YLLXIBCLRWGPKE-ZSGPHXLJSA-N 1 2 382.464 0.537 20 30 GCEDLO CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)c2ccccc21 ZINC001109415117 1202043285 /nfs/dbraw/zinc/04/32/85/1202043285.db2.gz FDEFVXYSGDIPQK-NWGLXNPWSA-N 1 2 381.480 0.971 20 30 GCEDLO CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)c2ccccc21 ZINC001109415117 1202043288 /nfs/dbraw/zinc/04/32/88/1202043288.db2.gz FDEFVXYSGDIPQK-NWGLXNPWSA-N 1 2 381.480 0.971 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C2 ZINC001109432253 1202048105 /nfs/dbraw/zinc/04/81/05/1202048105.db2.gz GWDSDMLPELIQHG-WCVJEAGWSA-N 1 2 375.473 0.139 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C2 ZINC001109432253 1202048107 /nfs/dbraw/zinc/04/81/07/1202048107.db2.gz GWDSDMLPELIQHG-WCVJEAGWSA-N 1 2 375.473 0.139 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)C2 ZINC001109432600 1202048689 /nfs/dbraw/zinc/04/86/89/1202048689.db2.gz ZIAUDHVVQKFUJD-AGIUHOORSA-N 1 2 381.358 0.580 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)C2 ZINC001109432600 1202048692 /nfs/dbraw/zinc/04/86/92/1202048692.db2.gz ZIAUDHVVQKFUJD-AGIUHOORSA-N 1 2 381.358 0.580 20 30 GCEDLO Cc1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)ncc1Cl ZINC001109442759 1202051860 /nfs/dbraw/zinc/05/18/60/1202051860.db2.gz GESQPVFBGGOSOO-KBMXLJTQSA-N 1 2 375.860 0.947 20 30 GCEDLO Cc1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)ncc1Cl ZINC001109442759 1202051861 /nfs/dbraw/zinc/05/18/61/1202051861.db2.gz GESQPVFBGGOSOO-KBMXLJTQSA-N 1 2 375.860 0.947 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(NC(C)=O)CCCCC1)C2 ZINC001109459257 1202055807 /nfs/dbraw/zinc/05/58/07/1202055807.db2.gz CXRHNWHZXRABRM-IKGGRYGDSA-N 1 2 376.501 0.849 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(NC(C)=O)CCCCC1)C2 ZINC001109459257 1202055810 /nfs/dbraw/zinc/05/58/10/1202055810.db2.gz CXRHNWHZXRABRM-IKGGRYGDSA-N 1 2 376.501 0.849 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnc3)n1)C2 ZINC001109472899 1202059018 /nfs/dbraw/zinc/05/90/18/1202059018.db2.gz LJRCTRFCUWBPLX-PVAVHDDUSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnc3)n1)C2 ZINC001109472899 1202059020 /nfs/dbraw/zinc/05/90/20/1202059020.db2.gz LJRCTRFCUWBPLX-PVAVHDDUSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(NC(C)=O)n1)C2 ZINC001109481809 1202061141 /nfs/dbraw/zinc/06/11/41/1202061141.db2.gz KTPCQGILFGQJKO-DYEKYZERSA-N 1 2 375.454 0.186 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(NC(C)=O)n1)C2 ZINC001109481809 1202061143 /nfs/dbraw/zinc/06/11/43/1202061143.db2.gz KTPCQGILFGQJKO-DYEKYZERSA-N 1 2 375.454 0.186 20 30 GCEDLO CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)C1CCCC1 ZINC001109502426 1202067224 /nfs/dbraw/zinc/06/72/24/1202067224.db2.gz CCYDEMIBYROBGP-MUQADHOPSA-N 1 2 375.473 0.043 20 30 GCEDLO CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)C1CCCC1 ZINC001109502426 1202067226 /nfs/dbraw/zinc/06/72/26/1202067226.db2.gz CCYDEMIBYROBGP-MUQADHOPSA-N 1 2 375.473 0.043 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc(OC)ccn31)C2 ZINC001109518011 1202070931 /nfs/dbraw/zinc/07/09/31/1202070931.db2.gz PALFSJOOBWFTGT-KBMXLJTQSA-N 1 2 381.436 0.427 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc(OC)ccn31)C2 ZINC001109518011 1202070932 /nfs/dbraw/zinc/07/09/32/1202070932.db2.gz PALFSJOOBWFTGT-KBMXLJTQSA-N 1 2 381.436 0.427 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1-c1cnn(C)c1)C2 ZINC001109549318 1202077154 /nfs/dbraw/zinc/07/71/54/1202077154.db2.gz VLECJDFUMUHGMR-KBMXLJTQSA-N 1 2 382.424 0.160 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1-c1cnn(C)c1)C2 ZINC001109549318 1202077156 /nfs/dbraw/zinc/07/71/56/1202077156.db2.gz VLECJDFUMUHGMR-KBMXLJTQSA-N 1 2 382.424 0.160 20 30 GCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001109563110 1202081029 /nfs/dbraw/zinc/08/10/29/1202081029.db2.gz HZESELLTNXJYKQ-YLAKUSLOSA-N 1 2 379.501 0.796 20 30 GCEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001109563110 1202081031 /nfs/dbraw/zinc/08/10/31/1202081031.db2.gz HZESELLTNXJYKQ-YLAKUSLOSA-N 1 2 379.501 0.796 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csnn1)C2 ZINC001109571077 1202082476 /nfs/dbraw/zinc/08/24/76/1202082476.db2.gz LKMZYGQXIVJFKL-DCQANWLSSA-N 1 2 378.458 0.274 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csnn1)C2 ZINC001109571077 1202082478 /nfs/dbraw/zinc/08/24/78/1202082478.db2.gz LKMZYGQXIVJFKL-DCQANWLSSA-N 1 2 378.458 0.274 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)Nc3ccccc31)C2 ZINC001109577185 1202082569 /nfs/dbraw/zinc/08/25/69/1202082569.db2.gz WATGPCMAXIQOQW-KCMWZYNZSA-N 1 2 380.448 0.583 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)Nc3ccccc31)C2 ZINC001109577185 1202082570 /nfs/dbraw/zinc/08/25/70/1202082570.db2.gz WATGPCMAXIQOQW-KCMWZYNZSA-N 1 2 380.448 0.583 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(=O)c3ccccc13)C2 ZINC001109587623 1202086080 /nfs/dbraw/zinc/08/60/80/1202086080.db2.gz RCYAHPWTZOZCTJ-BVGQSLNGSA-N 1 2 379.416 0.878 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(=O)c3ccccc13)C2 ZINC001109587623 1202086082 /nfs/dbraw/zinc/08/60/82/1202086082.db2.gz RCYAHPWTZOZCTJ-BVGQSLNGSA-N 1 2 379.416 0.878 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(=O)[nH]1)C2 ZINC001109622764 1202091421 /nfs/dbraw/zinc/09/14/21/1202091421.db2.gz YAXANYARGVXNRU-SCVCMEIPSA-N 1 2 379.442 0.196 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(=O)[nH]1)C2 ZINC001109622764 1202091423 /nfs/dbraw/zinc/09/14/23/1202091423.db2.gz YAXANYARGVXNRU-SCVCMEIPSA-N 1 2 379.442 0.196 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)C2 ZINC001109645066 1202096634 /nfs/dbraw/zinc/09/66/34/1202096634.db2.gz OMFIQWYELZCONG-JLUCKKNBSA-N 1 2 382.424 0.137 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)C2 ZINC001109645066 1202096637 /nfs/dbraw/zinc/09/66/37/1202096637.db2.gz OMFIQWYELZCONG-JLUCKKNBSA-N 1 2 382.424 0.137 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCN(CC(F)F)CC1)C2 ZINC001109645274 1202097022 /nfs/dbraw/zinc/09/70/22/1202097022.db2.gz WNQIZPOQLYJOIU-PMPSAXMXSA-N 1 2 382.455 0.434 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCN(CC(F)F)CC1)C2 ZINC001109645274 1202097024 /nfs/dbraw/zinc/09/70/24/1202097024.db2.gz WNQIZPOQLYJOIU-PMPSAXMXSA-N 1 2 382.455 0.434 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]cc1F)C2 ZINC001109688426 1202104729 /nfs/dbraw/zinc/10/47/29/1202104729.db2.gz OLCBCWOAQVTLTK-AAXDQBDMSA-N 1 2 378.408 0.284 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]cc1F)C2 ZINC001109688426 1202104731 /nfs/dbraw/zinc/10/47/31/1202104731.db2.gz OLCBCWOAQVTLTK-AAXDQBDMSA-N 1 2 378.408 0.284 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109735817 1202115421 /nfs/dbraw/zinc/11/54/21/1202115421.db2.gz YMMNTIZVHYNEKA-OWYFMNJBSA-N 1 2 376.457 0.287 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC001109735817 1202115422 /nfs/dbraw/zinc/11/54/22/1202115422.db2.gz YMMNTIZVHYNEKA-OWYFMNJBSA-N 1 2 376.457 0.287 20 30 GCEDLO Cn1cc(C(=O)OCCC#Cc2ccc(C[NH+]3CCOCC3)cc2)c(=O)[nH]c1=O ZINC000770857893 1202116266 /nfs/dbraw/zinc/11/62/66/1202116266.db2.gz FDCWHGGUDJYSFA-UHFFFAOYSA-N 1 2 397.431 0.917 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)ncc1Cl)C2 ZINC001109802698 1202127164 /nfs/dbraw/zinc/12/71/64/1202127164.db2.gz DJHKOJPROMWKMV-DWZYQQQCSA-N 1 2 375.860 0.911 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)ncc1Cl)C2 ZINC001109802698 1202127166 /nfs/dbraw/zinc/12/71/66/1202127166.db2.gz DJHKOJPROMWKMV-DWZYQQQCSA-N 1 2 375.860 0.911 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(N3CCCC3)n1)C2 ZINC001109803024 1202127666 /nfs/dbraw/zinc/12/76/66/1202127666.db2.gz UAPPHINCOSBFMP-VYDXJSESSA-N 1 2 382.468 0.161 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(N3CCCC3)n1)C2 ZINC001109803024 1202127668 /nfs/dbraw/zinc/12/76/68/1202127668.db2.gz UAPPHINCOSBFMP-VYDXJSESSA-N 1 2 382.468 0.161 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(N)=O)s1)C2 ZINC001109835607 1202132836 /nfs/dbraw/zinc/13/28/36/1202132836.db2.gz RAKDHSQLQBRZQF-RNJOBUHISA-N 1 2 376.482 0.873 20 30 GCEDLO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(N)=O)s1)C2 ZINC001109835607 1202132839 /nfs/dbraw/zinc/13/28/39/1202132839.db2.gz RAKDHSQLQBRZQF-RNJOBUHISA-N 1 2 376.482 0.873 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)C2 ZINC001109855976 1202137231 /nfs/dbraw/zinc/13/72/31/1202137231.db2.gz CJMRPEAQCBAJIY-KBMXLJTQSA-N 1 2 379.424 0.447 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]nc1-c1cccnc1)C2 ZINC001109855976 1202137233 /nfs/dbraw/zinc/13/72/33/1202137233.db2.gz CJMRPEAQCBAJIY-KBMXLJTQSA-N 1 2 379.424 0.447 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3c1cnn3C)C2 ZINC001109884236 1202141682 /nfs/dbraw/zinc/14/16/82/1202141682.db2.gz JMHKLRUVQUWVMW-COXVUDFISA-N 1 2 382.468 0.914 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)nc3c1cnn3C)C2 ZINC001109884236 1202141683 /nfs/dbraw/zinc/14/16/83/1202141683.db2.gz JMHKLRUVQUWVMW-COXVUDFISA-N 1 2 382.468 0.914 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(cnn3C)c1)C2 ZINC001109882606 1202141736 /nfs/dbraw/zinc/14/17/36/1202141736.db2.gz ICIZRYMUUWYBEG-VZEFYGNVSA-N 1 2 380.452 0.441 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(cnn3C)c1)C2 ZINC001109882606 1202141737 /nfs/dbraw/zinc/14/17/37/1202141737.db2.gz ICIZRYMUUWYBEG-VZEFYGNVSA-N 1 2 380.452 0.441 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnc3)c1)C2 ZINC001109921331 1202150374 /nfs/dbraw/zinc/15/03/74/1202150374.db2.gz PFFZCNKHTAHRBV-QYZOEREBSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3ccnc3)c1)C2 ZINC001109921331 1202150377 /nfs/dbraw/zinc/15/03/77/1202150377.db2.gz PFFZCNKHTAHRBV-QYZOEREBSA-N 1 2 377.448 0.957 20 30 GCEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)n1cnc2ccccc21 ZINC001109923017 1202150891 /nfs/dbraw/zinc/15/08/91/1202150891.db2.gz YVPZOLRSCBSYPE-DEICHXMPSA-N 1 2 380.452 0.959 20 30 GCEDLO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)n1cnc2ccccc21 ZINC001109923017 1202150896 /nfs/dbraw/zinc/15/08/96/1202150896.db2.gz YVPZOLRSCBSYPE-DEICHXMPSA-N 1 2 380.452 0.959 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CCCOC)c1)C2 ZINC001109945425 1202155557 /nfs/dbraw/zinc/15/55/57/1202155557.db2.gz GVAZDHWMXKWWNE-IKGGRYGDSA-N 1 2 375.473 0.557 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CCCOC)c1)C2 ZINC001109945425 1202155558 /nfs/dbraw/zinc/15/55/58/1202155558.db2.gz GVAZDHWMXKWWNE-IKGGRYGDSA-N 1 2 375.473 0.557 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1nc(CC)no1)C2 ZINC001109959679 1202159641 /nfs/dbraw/zinc/15/96/41/1202159641.db2.gz WDCHUZBHPNYRSA-RDBSUJKOSA-N 1 2 377.445 0.172 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1nc(CC)no1)C2 ZINC001109959679 1202159644 /nfs/dbraw/zinc/15/96/44/1202159644.db2.gz WDCHUZBHPNYRSA-RDBSUJKOSA-N 1 2 377.445 0.172 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC1CCOCC1)C2 ZINC001109958060 1202162544 /nfs/dbraw/zinc/16/25/44/1202162544.db2.gz WKNAKGPJEXHPIA-NJAFHUGGSA-N 1 2 377.485 0.433 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC1CCOCC1)C2 ZINC001109958060 1202162547 /nfs/dbraw/zinc/16/25/47/1202162547.db2.gz WKNAKGPJEXHPIA-NJAFHUGGSA-N 1 2 377.485 0.433 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)nc1 ZINC001109998349 1202171039 /nfs/dbraw/zinc/17/10/39/1202171039.db2.gz USSNBECMNAITJK-PVAVHDDUSA-N 1 2 381.436 0.386 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)nc1 ZINC001109998349 1202171040 /nfs/dbraw/zinc/17/10/40/1202171040.db2.gz USSNBECMNAITJK-PVAVHDDUSA-N 1 2 381.436 0.386 20 30 GCEDLO C[C@@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000787759845 1205400725 /nfs/dbraw/zinc/40/07/25/1205400725.db2.gz PHDUQRDLMTURAM-ZBFHGGJFSA-N 1 2 381.440 0.788 20 30 GCEDLO N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000787778047 1205402670 /nfs/dbraw/zinc/40/26/70/1205402670.db2.gz OHROBHDVZKGLIG-UHFFFAOYSA-N 1 2 392.463 0.826 20 30 GCEDLO CC(C)(C)OC(=O)NC1(CO)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000788003192 1205411179 /nfs/dbraw/zinc/41/11/79/1205411179.db2.gz LHIAXRULQMPGDC-UHFFFAOYSA-N 1 2 393.488 0.994 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@@H+]3CCO[C@@H](C)C3)CC2)c1C#N ZINC000788313618 1205420135 /nfs/dbraw/zinc/42/01/35/1205420135.db2.gz NPMUZWOFLCSYGN-AWEZNQCLSA-N 1 2 375.477 0.153 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+]3CCO[C@@H](C)C3)CC2)c1C#N ZINC000788313618 1205420138 /nfs/dbraw/zinc/42/01/38/1205420138.db2.gz NPMUZWOFLCSYGN-AWEZNQCLSA-N 1 2 375.477 0.153 20 30 GCEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000790136826 1205457311 /nfs/dbraw/zinc/45/73/11/1205457311.db2.gz RUVIAPPFIFOAIK-AWEZNQCLSA-N 1 2 394.497 0.294 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000790136827 1205457434 /nfs/dbraw/zinc/45/74/34/1205457434.db2.gz RUVIAPPFIFOAIK-CQSZACIVSA-N 1 2 394.497 0.294 20 30 GCEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)C1=O ZINC000790455188 1205465274 /nfs/dbraw/zinc/46/52/74/1205465274.db2.gz YNBGQKYGQOZFAQ-QGZVFWFLSA-N 1 2 381.436 0.977 20 30 GCEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1=O ZINC000790455188 1205465275 /nfs/dbraw/zinc/46/52/75/1205465275.db2.gz YNBGQKYGQOZFAQ-QGZVFWFLSA-N 1 2 381.436 0.977 20 30 GCEDLO C#CCNc1nc(N2CCC[C@H](CCO)C2)nc(N2CCC[C@H](CCO)C2)[nH+]1 ZINC000804431576 1205515938 /nfs/dbraw/zinc/51/59/38/1205515938.db2.gz DXJKORVHFMXICW-IAGOWNOFSA-N 1 2 388.516 0.536 20 30 GCEDLO C#CCNc1nc(N2CCC[C@H](CCO)C2)[nH+]c(N2CCC[C@H](CCO)C2)n1 ZINC000804431576 1205515941 /nfs/dbraw/zinc/51/59/41/1205515941.db2.gz DXJKORVHFMXICW-IAGOWNOFSA-N 1 2 388.516 0.536 20 30 GCEDLO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2OCC[C@H]2C(C)C)n[nH]1 ZINC001130212748 1205536838 /nfs/dbraw/zinc/53/68/38/1205536838.db2.gz AURMUXJNXMMPRK-OVWQWFNUSA-N 1 2 389.500 0.967 20 30 GCEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)n[nH]1 ZINC001130240689 1205539254 /nfs/dbraw/zinc/53/92/54/1205539254.db2.gz YZVHCDYZJIGYQA-NXOAAHMSSA-N 1 2 380.452 0.715 20 30 GCEDLO C#Cc1cncc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000806899614 1205569731 /nfs/dbraw/zinc/56/97/31/1205569731.db2.gz AWQLKOIAPFUPKM-UHFFFAOYSA-N 1 2 378.436 0.652 20 30 GCEDLO C#Cc1cncc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000806899614 1205569733 /nfs/dbraw/zinc/56/97/33/1205569733.db2.gz AWQLKOIAPFUPKM-UHFFFAOYSA-N 1 2 378.436 0.652 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000807695371 1205588379 /nfs/dbraw/zinc/58/83/79/1205588379.db2.gz TUMCNNAJMFVINB-INIZCTEOSA-N 1 2 379.420 0.973 20 30 GCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000810087080 1205633628 /nfs/dbraw/zinc/63/36/28/1205633628.db2.gz MZUQHLDJRZJBLZ-INIZCTEOSA-N 1 2 383.456 0.978 20 30 GCEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000810087080 1205633630 /nfs/dbraw/zinc/63/36/30/1205633630.db2.gz MZUQHLDJRZJBLZ-INIZCTEOSA-N 1 2 383.456 0.978 20 30 GCEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000814834203 1205696276 /nfs/dbraw/zinc/69/62/76/1205696276.db2.gz TWBVRWUDXZOIEB-UHFFFAOYSA-N 1 2 391.501 0.693 20 30 GCEDLO CN(C)C(=O)CN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172982571 1205718305 /nfs/dbraw/zinc/71/83/05/1205718305.db2.gz AUEQGLWTAOBSII-HOTGVXAUSA-N 1 2 379.505 0.984 20 30 GCEDLO CN(C)C(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172982568 1205718314 /nfs/dbraw/zinc/71/83/14/1205718314.db2.gz AUEQGLWTAOBSII-CVEARBPZSA-N 1 2 379.505 0.984 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C2 ZINC001110195249 1205746658 /nfs/dbraw/zinc/74/66/58/1205746658.db2.gz YNVITVQAGAJITJ-DRMAHVMPSA-N 1 2 376.501 0.657 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1=O)C2 ZINC001110195249 1205746660 /nfs/dbraw/zinc/74/66/60/1205746660.db2.gz YNVITVQAGAJITJ-DRMAHVMPSA-N 1 2 376.501 0.657 20 30 GCEDLO C=CCOCc1nn(C)c2c1CN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O)CC2 ZINC001176355967 1205747035 /nfs/dbraw/zinc/74/70/35/1205747035.db2.gz IVNWOTHIHVKZAO-MRXNPFEDSA-N 1 2 386.456 0.478 20 30 GCEDLO C=CCOCc1nn(C)c2c1CN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O)CC2 ZINC001176355967 1205747037 /nfs/dbraw/zinc/74/70/37/1205747037.db2.gz IVNWOTHIHVKZAO-MRXNPFEDSA-N 1 2 386.456 0.478 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1ccnn1)C2 ZINC001110202533 1205764649 /nfs/dbraw/zinc/76/46/49/1205764649.db2.gz FYPJQBLCFOYBMB-KMFMINBZSA-N 1 2 379.424 0.242 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1ccnn1)C2 ZINC001110202533 1205764651 /nfs/dbraw/zinc/76/46/51/1205764651.db2.gz FYPJQBLCFOYBMB-KMFMINBZSA-N 1 2 379.424 0.242 20 30 GCEDLO CCOC(=O)CO/N=C(\C(=O)NCCSCc1[nH]c[nH+]c1C)c1cc[nH]n1 ZINC001177264152 1205765868 /nfs/dbraw/zinc/76/58/68/1205765868.db2.gz UFPCEFCJSYHBRA-JCMHNJIXSA-N 1 2 394.457 0.775 20 30 GCEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2NC(=O)CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001179217569 1205805778 /nfs/dbraw/zinc/80/57/78/1205805778.db2.gz TWVBBWNAHGLHFT-HNNXBMFYSA-N 1 2 378.473 0.442 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)on1)C2 ZINC001110261745 1205860905 /nfs/dbraw/zinc/86/09/05/1205860905.db2.gz BSFKVJWWEMXLMJ-JLNYLFASSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)on1)C2 ZINC001110261745 1205860908 /nfs/dbraw/zinc/86/09/08/1205860908.db2.gz BSFKVJWWEMXLMJ-JLNYLFASSA-N 1 2 375.429 0.718 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCCO1)C2 ZINC001110311352 1205873529 /nfs/dbraw/zinc/87/35/29/1205873529.db2.gz XMIXWGLUKISUER-QXSJWSMHSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCCO1)C2 ZINC001110311352 1205873532 /nfs/dbraw/zinc/87/35/32/1205873532.db2.gz XMIXWGLUKISUER-QXSJWSMHSA-N 1 2 378.473 0.679 20 30 GCEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001183832704 1205901044 /nfs/dbraw/zinc/90/10/44/1205901044.db2.gz WPKLAXXRYTXADP-IBGZPJMESA-N 1 2 381.480 0.555 20 30 GCEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001183832704 1205901045 /nfs/dbraw/zinc/90/10/45/1205901045.db2.gz WPKLAXXRYTXADP-IBGZPJMESA-N 1 2 381.480 0.555 20 30 GCEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001183832983 1205901122 /nfs/dbraw/zinc/90/11/22/1205901122.db2.gz ZHMDEGVWBJVZML-MOPGFXCFSA-N 1 2 382.464 0.982 20 30 GCEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001183832983 1205901123 /nfs/dbraw/zinc/90/11/23/1205901123.db2.gz ZHMDEGVWBJVZML-MOPGFXCFSA-N 1 2 382.464 0.982 20 30 GCEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001183832705 1205901198 /nfs/dbraw/zinc/90/11/98/1205901198.db2.gz WPKLAXXRYTXADP-LJQANCHMSA-N 1 2 381.480 0.555 20 30 GCEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001183832705 1205901199 /nfs/dbraw/zinc/90/11/99/1205901199.db2.gz WPKLAXXRYTXADP-LJQANCHMSA-N 1 2 381.480 0.555 20 30 GCEDLO C=CC[NH+]1CCN(C(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)OC)CC1 ZINC001186698460 1205945615 /nfs/dbraw/zinc/94/56/15/1205945615.db2.gz OGKIGTTZEPRMFQ-SFHVURJKSA-N 1 2 387.480 0.997 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC001110388893 1205954948 /nfs/dbraw/zinc/95/49/48/1205954948.db2.gz JIGWEQWIMMBEJJ-OAGGEKHMSA-N 1 2 378.473 0.679 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC001110388893 1205954951 /nfs/dbraw/zinc/95/49/51/1205954951.db2.gz JIGWEQWIMMBEJJ-OAGGEKHMSA-N 1 2 378.473 0.679 20 30 GCEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc(C#N)cn1)CC2 ZINC001190585292 1206039578 /nfs/dbraw/zinc/03/95/78/1206039578.db2.gz YOWBURXNEUWNCT-UHFFFAOYSA-N 1 2 393.451 0.273 20 30 GCEDLO N#Cc1ccc(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1 ZINC001190589912 1206039827 /nfs/dbraw/zinc/03/98/27/1206039827.db2.gz MFGIBRUYJITPKU-UHFFFAOYSA-N 1 2 375.392 0.801 20 30 GCEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C#N)ccc3[N+](=O)[O-])CC2)C1=O ZINC001164635655 719274317 /nfs/dbraw/zinc/27/43/17/719274317.db2.gz STDBUJVLSADMMK-UHFFFAOYSA-N 1 2 388.428 0.621 20 30 GCEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C#N)ccc3[N+](=O)[O-])CC2)C1=O ZINC001164635655 719274318 /nfs/dbraw/zinc/27/43/18/719274318.db2.gz STDBUJVLSADMMK-UHFFFAOYSA-N 1 2 388.428 0.621 20 30 GCEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C#N)c(OC)n1 ZINC001164697261 719846382 /nfs/dbraw/zinc/84/63/82/719846382.db2.gz CEPUOOPELWVLNJ-RDTXWAMCSA-N 1 2 375.429 0.590 20 30 GCEDLO Cc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ccc1C#N ZINC001164708357 719915472 /nfs/dbraw/zinc/91/54/72/719915472.db2.gz AKXBTHKWSKEOCU-UHFFFAOYSA-N 1 2 379.468 0.946 20 30 GCEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(C#N)cc1F)CC2 ZINC001164708476 719916774 /nfs/dbraw/zinc/91/67/74/719916774.db2.gz DWMAXTCVEDWOFB-UHFFFAOYSA-N 1 2 383.431 0.776 20 30 GCEDLO COc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1C#N ZINC001164701575 720047717 /nfs/dbraw/zinc/04/77/17/720047717.db2.gz ACJCKVADHPMVMM-UHFFFAOYSA-N 1 2 396.455 0.041 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3C#N)C2)C1 ZINC001164720130 720225138 /nfs/dbraw/zinc/22/51/38/720225138.db2.gz WHECDYAYLQAXEY-QGZVFWFLSA-N 1 2 378.864 0.666 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3C#N)C2)C1 ZINC001164720130 720225142 /nfs/dbraw/zinc/22/51/42/720225142.db2.gz WHECDYAYLQAXEY-QGZVFWFLSA-N 1 2 378.864 0.666 20 30 GCEDLO Cc1nc(C#N)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830652 720483002 /nfs/dbraw/zinc/48/30/02/720483002.db2.gz CILKFBNZBRMSKY-INIZCTEOSA-N 1 2 397.483 0.843 20 30 GCEDLO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3ccncc3-c3nn[nH]n3)[C@@H]2C)CC1 ZINC001573282731 946696930 /nfs/dbraw/zinc/69/69/30/946696930.db2.gz LXQNXCBAYOZYNY-PBHICJAKSA-N 1 2 394.483 0.690 20 30 GCEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573286974 946823342 /nfs/dbraw/zinc/82/33/42/946823342.db2.gz JPUXFOJIUAPTSV-GDBMZVCRSA-N 1 2 384.440 0.222 20 30 GCEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573286974 946823350 /nfs/dbraw/zinc/82/33/50/946823350.db2.gz JPUXFOJIUAPTSV-GDBMZVCRSA-N 1 2 384.440 0.222 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001573565231 947006028 /nfs/dbraw/zinc/00/60/28/947006028.db2.gz PDRIGLQLJKGPKL-ZIAGYGMSSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccc(-c3nn[nH]n3)s1)CCO2 ZINC001573567273 947041375 /nfs/dbraw/zinc/04/13/75/947041375.db2.gz KZGQPCZRZLVRTO-SJCJKPOMSA-N 1 2 387.469 0.891 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccc(-c3nn[nH]n3)s1)CCO2 ZINC001573567273 947041386 /nfs/dbraw/zinc/04/13/86/947041386.db2.gz KZGQPCZRZLVRTO-SJCJKPOMSA-N 1 2 387.469 0.891 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001573570779 947093040 /nfs/dbraw/zinc/09/30/40/947093040.db2.gz TXGSOARYLFGWJH-ZFWWWQNUSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001573570778 947093421 /nfs/dbraw/zinc/09/34/21/947093421.db2.gz TXGSOARYLFGWJH-UKRRQHHQSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001573571065 947099005 /nfs/dbraw/zinc/09/90/05/947099005.db2.gz YDZRZZRIJQBBDS-ZIAGYGMSSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573573104 947118984 /nfs/dbraw/zinc/11/89/84/947118984.db2.gz MPHVXUBQRTVTIT-KPZWWZAWSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573573104 947118991 /nfs/dbraw/zinc/11/89/91/947118991.db2.gz MPHVXUBQRTVTIT-KPZWWZAWSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@H](C#N)C(=O)NCCN1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001573583457 947206175 /nfs/dbraw/zinc/20/61/75/947206175.db2.gz MCWKUENPVPYZNA-CYBMUJFWSA-N 1 2 386.435 0.399 20 30 GCEDLO C[C@H](C#N)C(=O)NCCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573584227 947215161 /nfs/dbraw/zinc/21/51/61/947215161.db2.gz RPDMGZRMOINSAX-CYBMUJFWSA-N 1 2 388.501 0.712 20 30 GCEDLO C[C@@H](C#N)C(=O)NCCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573584228 947215965 /nfs/dbraw/zinc/21/59/65/947215965.db2.gz RPDMGZRMOINSAX-ZDUSSCGKSA-N 1 2 388.501 0.712 20 30 GCEDLO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001573585717 947265770 /nfs/dbraw/zinc/26/57/70/947265770.db2.gz VPQRIEJLPVSEPQ-GFCCVEGCSA-N 1 2 392.427 0.291 20 30 GCEDLO COCCN(CCC#N)S(=O)(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000409542938 530230050 /nfs/dbraw/zinc/23/00/50/530230050.db2.gz JRPWADUTYHYNHT-INIZCTEOSA-N 1 2 376.523 0.430 20 30 GCEDLO CCN(C(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000267898731 530218089 /nfs/dbraw/zinc/21/80/89/530218089.db2.gz XKXWTPMFNVXIAJ-LLVKDONJSA-N 1 2 375.397 0.637 20 30 GCEDLO CCN(C(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000267898735 530218231 /nfs/dbraw/zinc/21/82/31/530218231.db2.gz XKXWTPMFNVXIAJ-NSHDSACASA-N 1 2 375.397 0.637 20 30 GCEDLO CC(C)(CNC(=O)Cn1cc(Br)cc(C#N)c1=O)[NH+]1CCOCC1 ZINC000289293925 530263323 /nfs/dbraw/zinc/26/33/23/530263323.db2.gz AKPWUDYUMAIXBO-UHFFFAOYSA-N 1 2 397.273 0.709 20 30 GCEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000592149254 530414365 /nfs/dbraw/zinc/41/43/65/530414365.db2.gz LUGTYFGTCSIOPI-INIZCTEOSA-N 1 2 395.257 0.854 20 30 GCEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000592149254 530414368 /nfs/dbraw/zinc/41/43/68/530414368.db2.gz LUGTYFGTCSIOPI-INIZCTEOSA-N 1 2 395.257 0.854 20 30 GCEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C[C@H]1C ZINC000594628035 530432921 /nfs/dbraw/zinc/43/29/21/530432921.db2.gz YCFPPYWFHCIOHY-CYBMUJFWSA-N 1 2 386.499 0.203 20 30 GCEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C[C@H]1C ZINC000594628035 530432923 /nfs/dbraw/zinc/43/29/23/530432923.db2.gz YCFPPYWFHCIOHY-CYBMUJFWSA-N 1 2 386.499 0.203 20 30 GCEDLO CN(CC(=O)N[C@](C)(C#N)C[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000563220363 530515743 /nfs/dbraw/zinc/51/57/43/530515743.db2.gz LRQRIBLIEVZMNB-CYBMUJFWSA-N 1 2 378.907 0.982 20 30 GCEDLO CCS(=O)(=O)N1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000330430851 530519859 /nfs/dbraw/zinc/51/98/59/530519859.db2.gz IROFPAGWVHQPMV-UHFFFAOYSA-N 1 2 376.523 0.415 20 30 GCEDLO CCS(=O)(=O)N1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000330430851 530519860 /nfs/dbraw/zinc/51/98/60/530519860.db2.gz IROFPAGWVHQPMV-UHFFFAOYSA-N 1 2 376.523 0.415 20 30 GCEDLO CC(C)(CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)[NH+]1CCOCC1 ZINC000330727383 530524444 /nfs/dbraw/zinc/52/44/44/530524444.db2.gz IFIPRBHRWGEVOO-ZIAGYGMSSA-N 1 2 376.523 0.461 20 30 GCEDLO N#CC1(C[C@@H](O)C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC1 ZINC000528470310 530582981 /nfs/dbraw/zinc/58/29/81/530582981.db2.gz HMUZDMIRCSJMLP-GFCCVEGCSA-N 1 2 384.424 0.492 20 30 GCEDLO N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000568252092 530555712 /nfs/dbraw/zinc/55/57/12/530555712.db2.gz GZLOYTUBJFGJRX-UHFFFAOYSA-N 1 2 384.483 0.005 20 30 GCEDLO CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000568532445 530560467 /nfs/dbraw/zinc/56/04/67/530560467.db2.gz GMKSMZKDAMVNBY-UHFFFAOYSA-N 1 2 392.547 0.098 20 30 GCEDLO C#CCNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000293386925 530566752 /nfs/dbraw/zinc/56/67/52/530566752.db2.gz GPULRLVBKPQFQU-UHFFFAOYSA-N 1 2 387.864 0.925 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000349466890 530642765 /nfs/dbraw/zinc/64/27/65/530642765.db2.gz RGSLRIUKRPDAGC-QLFBSQMISA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000349466890 530642767 /nfs/dbraw/zinc/64/27/67/530642767.db2.gz RGSLRIUKRPDAGC-QLFBSQMISA-N 1 2 394.563 0.198 20 30 GCEDLO CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000349476214 530647141 /nfs/dbraw/zinc/64/71/41/530647141.db2.gz ZKBBTQOIDKSCNA-UHFFFAOYSA-N 1 2 386.499 0.157 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000112904107 530691518 /nfs/dbraw/zinc/69/15/18/530691518.db2.gz BEAIGTCUHKHIEE-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000112904107 530691522 /nfs/dbraw/zinc/69/15/22/530691522.db2.gz BEAIGTCUHKHIEE-UHFFFAOYSA-N 1 2 379.258 0.741 20 30 GCEDLO CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000581559290 530760039 /nfs/dbraw/zinc/76/00/39/530760039.db2.gz TVNYMGUWRFSHCE-ZDUSSCGKSA-N 1 2 386.499 0.203 20 30 GCEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1cc(Br)ccc1=O ZINC000478218348 530748813 /nfs/dbraw/zinc/74/88/13/530748813.db2.gz AKOUVUYYYDJYEV-UHFFFAOYSA-N 1 2 397.273 0.685 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1Br ZINC000593651867 530823476 /nfs/dbraw/zinc/82/34/76/530823476.db2.gz ZPQWGHXNECLRSN-GFCCVEGCSA-N 1 2 386.271 0.760 20 30 GCEDLO N#Cc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1Br ZINC000593651867 530823478 /nfs/dbraw/zinc/82/34/78/530823478.db2.gz ZPQWGHXNECLRSN-GFCCVEGCSA-N 1 2 386.271 0.760 20 30 GCEDLO C=CCN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)C1=O ZINC000499720417 530856323 /nfs/dbraw/zinc/85/63/23/530856323.db2.gz RRSMDPWUMQSGKU-GFCCVEGCSA-N 1 2 384.424 0.224 20 30 GCEDLO C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000349602541 530910293 /nfs/dbraw/zinc/91/02/93/530910293.db2.gz BIMQCUJLFBTOOQ-CYBMUJFWSA-N 1 2 386.499 0.728 20 30 GCEDLO CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000349505617 530884732 /nfs/dbraw/zinc/88/47/32/530884732.db2.gz JINUNAWRBUWKEY-QLFBSQMISA-N 1 2 394.563 0.294 20 30 GCEDLO CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000349505617 530884736 /nfs/dbraw/zinc/88/47/36/530884736.db2.gz JINUNAWRBUWKEY-QLFBSQMISA-N 1 2 394.563 0.294 20 30 GCEDLO N#Cc1cc(Br)ccc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000448951885 530912899 /nfs/dbraw/zinc/91/28/99/530912899.db2.gz DAEWSKCWSGNXBJ-UHFFFAOYSA-N 1 2 395.257 0.499 20 30 GCEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278675280 530917029 /nfs/dbraw/zinc/91/70/29/530917029.db2.gz GCJOSIQMNBIVQT-GFCCVEGCSA-N 1 2 387.303 0.845 20 30 GCEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278675280 530917031 /nfs/dbraw/zinc/91/70/31/530917031.db2.gz GCJOSIQMNBIVQT-GFCCVEGCSA-N 1 2 387.303 0.845 20 30 GCEDLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000509421928 530918596 /nfs/dbraw/zinc/91/85/96/530918596.db2.gz AOVBBVAIXZVKHT-HUUCEWRRSA-N 1 2 394.563 0.296 20 30 GCEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000521643420 530968566 /nfs/dbraw/zinc/96/85/66/530968566.db2.gz FGYWIJYSBFZEOU-UHFFFAOYSA-N 1 2 383.455 0.043 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NCc3ccc(C#N)s3)nc2)CC1 ZINC000420610607 531056242 /nfs/dbraw/zinc/05/62/42/531056242.db2.gz NUYKAFAYVCECIR-UHFFFAOYSA-N 1 2 377.495 1.563 20 30 GCEDLO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000544135640 531078600 /nfs/dbraw/zinc/07/86/00/531078600.db2.gz KXNLTZBVCMVEDB-CABCVRRESA-N 1 2 380.539 0.867 20 30 GCEDLO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000544135640 531078605 /nfs/dbraw/zinc/07/86/05/531078605.db2.gz KXNLTZBVCMVEDB-CABCVRRESA-N 1 2 380.539 0.867 20 30 GCEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735431367 598250023 /nfs/dbraw/zinc/25/00/23/598250023.db2.gz CQJXUOGGTMVBOM-UHFFFAOYSA-N 1 2 385.428 0.722 20 30 GCEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737687840 598251750 /nfs/dbraw/zinc/25/17/50/598251750.db2.gz WEAKBBZWCKXATD-UHFFFAOYSA-N 1 2 393.455 0.645 20 30 GCEDLO C=CC[N@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735419036 598538562 /nfs/dbraw/zinc/53/85/62/598538562.db2.gz PCSWYEBJLSDXOM-NSHDSACASA-N 1 2 396.498 0.932 20 30 GCEDLO C=CC[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735419036 598538564 /nfs/dbraw/zinc/53/85/64/598538564.db2.gz PCSWYEBJLSDXOM-NSHDSACASA-N 1 2 396.498 0.932 20 30 GCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000819740455 606776944 /nfs/dbraw/zinc/77/69/44/606776944.db2.gz ZWXDXPXNMUHNLE-AWEZNQCLSA-N 1 2 383.460 0.368 20 30 GCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000819740455 606776945 /nfs/dbraw/zinc/77/69/45/606776945.db2.gz ZWXDXPXNMUHNLE-AWEZNQCLSA-N 1 2 383.460 0.368 20 30 GCEDLO N#Cc1cc(CN2CC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C[C@@H](O)C2)ccn1 ZINC000826383758 608803545 /nfs/dbraw/zinc/80/35/45/608803545.db2.gz OXZVFVCYCATEIM-KRWDZBQOSA-N 1 2 391.439 0.207 20 30 GCEDLO N#Cc1cc(CN2CC[N@@H+](Cc3ccnc(-c4nn[nH]n4)c3)C[C@@H](O)C2)ccn1 ZINC000826383758 608803548 /nfs/dbraw/zinc/80/35/48/608803548.db2.gz OXZVFVCYCATEIM-KRWDZBQOSA-N 1 2 391.439 0.207 20 30 GCEDLO Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[NH+]3CCC(C)(C#N)CC3)CC2)o1 ZINC000826323188 609143920 /nfs/dbraw/zinc/14/39/20/609143920.db2.gz UJMUSBAXYIPZIG-UHFFFAOYSA-N 1 2 399.459 0.437 20 30 GCEDLO N#Cc1nc(N)n(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c1-c1nn[nH]n1 ZINC000826387719 609177017 /nfs/dbraw/zinc/17/70/17/609177017.db2.gz NBJGHYXXYZFGQW-UHFFFAOYSA-N 1 2 399.444 0.208 20 30 GCEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826381765 609379050 /nfs/dbraw/zinc/37/90/50/609379050.db2.gz YKIIZOJJJBOPSZ-UHFFFAOYSA-N 1 2 375.458 0.867 20 30 GCEDLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC(C)(C)C#N ZINC000913867112 639667408 /nfs/dbraw/zinc/66/74/08/639667408.db2.gz QLKSRRBRDRYVMR-CQSZACIVSA-N 1 2 379.548 0.697 20 30 GCEDLO C=CC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000731214087 639757002 /nfs/dbraw/zinc/75/70/02/639757002.db2.gz AMKPMOYEVRGDNX-NWFCWYBLSA-N 1 2 388.511 0.641 20 30 GCEDLO C=CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000731214087 639757008 /nfs/dbraw/zinc/75/70/08/639757008.db2.gz AMKPMOYEVRGDNX-NWFCWYBLSA-N 1 2 388.511 0.641 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)s1 ZINC000874267304 641521683 /nfs/dbraw/zinc/52/16/83/641521683.db2.gz ZCFNZZDMTCSMHR-CYBMUJFWSA-N 1 2 387.527 0.592 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[N@H+]2CCO[C@H](C)C2)s1 ZINC000874267304 641521684 /nfs/dbraw/zinc/52/16/84/641521684.db2.gz ZCFNZZDMTCSMHR-CYBMUJFWSA-N 1 2 387.527 0.592 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C)C1 ZINC000903655906 642199052 /nfs/dbraw/zinc/19/90/52/642199052.db2.gz KULRHLSOTWARBE-OAHLLOKOSA-N 1 2 393.575 0.502 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C)C1 ZINC000903655906 642199055 /nfs/dbraw/zinc/19/90/55/642199055.db2.gz KULRHLSOTWARBE-OAHLLOKOSA-N 1 2 393.575 0.502 20 30 GCEDLO COc1cccc(OCC[NH+]2CCN(C(=O)NCC(=O)NCC#N)CC2)c1 ZINC000511906170 1192203660 /nfs/dbraw/zinc/20/36/60/1192203660.db2.gz MZVMYCSDZSREKD-UHFFFAOYSA-N 1 2 375.429 0.041 20 30 GCEDLO N#CCN1CCC(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000585701314 1192377282 /nfs/dbraw/zinc/37/72/82/1192377282.db2.gz CMPLIWOVMQCUEA-UHFFFAOYSA-N 1 2 384.484 0.792 20 30 GCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000473207902 1192392914 /nfs/dbraw/zinc/39/29/14/1192392914.db2.gz YYGLIKDVOQMXKB-LBPRGKRZSA-N 1 2 376.388 0.732 20 30 GCEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000279039183 1192443933 /nfs/dbraw/zinc/44/39/33/1192443933.db2.gz BJCBLYYLWPXJNS-HNNXBMFYSA-N 1 2 379.482 0.391 20 30 GCEDLO C#CCn1ccc(CN(CC)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000279193556 1192483027 /nfs/dbraw/zinc/48/30/27/1192483027.db2.gz UPRAUHXVJCDEFJ-KRWDZBQOSA-N 1 2 387.484 0.046 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000279302148 1192509472 /nfs/dbraw/zinc/50/94/72/1192509472.db2.gz MOCRGQXESQEIOK-HNNXBMFYSA-N 1 2 381.498 0.944 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)n2ccc3ccccc3c2=O)CC1 ZINC000279313893 1192520041 /nfs/dbraw/zinc/52/00/41/1192520041.db2.gz BBRMRKBMGNMFRL-KRWDZBQOSA-N 1 2 394.475 0.846 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)n2ccc3ccccc3c2=O)CC1 ZINC000279313893 1192520048 /nfs/dbraw/zinc/52/00/48/1192520048.db2.gz BBRMRKBMGNMFRL-KRWDZBQOSA-N 1 2 394.475 0.846 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)nn1CCC#N ZINC000279474615 1192545141 /nfs/dbraw/zinc/54/51/41/1192545141.db2.gz NJFUUEGDMVLSDB-UHFFFAOYSA-N 1 2 376.461 0.613 20 30 GCEDLO Cc1cc(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)nn1CCC#N ZINC000279474615 1192545145 /nfs/dbraw/zinc/54/51/45/1192545145.db2.gz NJFUUEGDMVLSDB-UHFFFAOYSA-N 1 2 376.461 0.613 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1O ZINC000970706871 1184977613 /nfs/dbraw/zinc/97/76/13/1184977613.db2.gz OFWBFVKCVSOQTA-NCOADZHNSA-N 1 2 384.436 0.535 20 30 GCEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000477030954 1185539509 /nfs/dbraw/zinc/53/95/09/1185539509.db2.gz WVNFLOABMXEAFX-ZBFHGGJFSA-N 1 2 390.465 0.451 20 30 GCEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000477030954 1185539513 /nfs/dbraw/zinc/53/95/13/1185539513.db2.gz WVNFLOABMXEAFX-ZBFHGGJFSA-N 1 2 390.465 0.451 20 30 GCEDLO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000276092973 1185566444 /nfs/dbraw/zinc/56/64/44/1185566444.db2.gz PVUPIRBLKKVXLR-KRWDZBQOSA-N 1 2 391.468 0.732 20 30 GCEDLO Cn1cc(N2CCN(CC#CC[NH+]3CCN(c4cnn(C)c4)CC3)CC2)cn1 ZINC000276288108 1185720774 /nfs/dbraw/zinc/72/07/74/1185720774.db2.gz HEVXZTQTMDEJQL-UHFFFAOYSA-N 1 2 382.516 0.101 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1 ZINC000891607621 1185938042 /nfs/dbraw/zinc/93/80/42/1185938042.db2.gz OTQRYQIEMDHRNS-MRXNPFEDSA-N 1 2 386.452 0.354 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1 ZINC000891607621 1185938046 /nfs/dbraw/zinc/93/80/46/1185938046.db2.gz OTQRYQIEMDHRNS-MRXNPFEDSA-N 1 2 386.452 0.354 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 ZINC000891607721 1185938116 /nfs/dbraw/zinc/93/81/16/1185938116.db2.gz QSCJMGGNLANHIZ-QZTJIDSGSA-N 1 2 398.463 0.956 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 ZINC000891607721 1185938117 /nfs/dbraw/zinc/93/81/17/1185938117.db2.gz QSCJMGGNLANHIZ-QZTJIDSGSA-N 1 2 398.463 0.956 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000891608002 1185939283 /nfs/dbraw/zinc/93/92/83/1185939283.db2.gz SURSWNKHKVUIAD-LBPRGKRZSA-N 1 2 381.429 0.382 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1 ZINC000891608002 1185939286 /nfs/dbraw/zinc/93/92/86/1185939286.db2.gz SURSWNKHKVUIAD-LBPRGKRZSA-N 1 2 381.429 0.382 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)C1 ZINC000891607958 1185939401 /nfs/dbraw/zinc/93/94/01/1185939401.db2.gz RSBVSTPMVCYOPF-PBHICJAKSA-N 1 2 385.420 0.167 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)C1 ZINC000891607958 1185939403 /nfs/dbraw/zinc/93/94/03/1185939403.db2.gz RSBVSTPMVCYOPF-PBHICJAKSA-N 1 2 385.420 0.167 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)C1 ZINC000891606007 1185939959 /nfs/dbraw/zinc/93/99/59/1185939959.db2.gz JHWKOVZABYLEMC-MRXNPFEDSA-N 1 2 386.452 0.354 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)C1 ZINC000891606007 1185939961 /nfs/dbraw/zinc/93/99/61/1185939961.db2.gz JHWKOVZABYLEMC-MRXNPFEDSA-N 1 2 386.452 0.354 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000891608735 1185942103 /nfs/dbraw/zinc/94/21/03/1185942103.db2.gz YBVPDZKHQKFTHO-INIZCTEOSA-N 1 2 386.452 0.306 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C1 ZINC000891608735 1185942105 /nfs/dbraw/zinc/94/21/05/1185942105.db2.gz YBVPDZKHQKFTHO-INIZCTEOSA-N 1 2 386.452 0.306 20 30 GCEDLO C[C@]1(C#N)CN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCO1 ZINC000933602020 1185981997 /nfs/dbraw/zinc/98/19/97/1185981997.db2.gz PLZDCFBCLIZFJN-NRFANRHFSA-N 1 2 384.480 0.880 20 30 GCEDLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc2)CC1 ZINC000510667126 1186050336 /nfs/dbraw/zinc/05/03/36/1186050336.db2.gz MXCQGUCOINPKBA-UHFFFAOYSA-N 1 2 385.468 0.955 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001111490283 1186172419 /nfs/dbraw/zinc/17/24/19/1186172419.db2.gz ZXYLLFABANHRMW-JJXSEGSLSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001111490283 1186172423 /nfs/dbraw/zinc/17/24/23/1186172423.db2.gz ZXYLLFABANHRMW-JJXSEGSLSA-N 1 2 380.489 0.923 20 30 GCEDLO C=CCC[C@@H](CO)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000458110186 1186203646 /nfs/dbraw/zinc/20/36/46/1186203646.db2.gz RMPNXXXXIWNXEW-INIZCTEOSA-N 1 2 375.473 0.747 20 30 GCEDLO C#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000277090263 1186240313 /nfs/dbraw/zinc/24/03/13/1186240313.db2.gz YUKAIVCFESOVLT-UHFFFAOYSA-N 1 2 379.482 0.483 20 30 GCEDLO C#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000277090263 1186240316 /nfs/dbraw/zinc/24/03/16/1186240316.db2.gz YUKAIVCFESOVLT-UHFFFAOYSA-N 1 2 379.482 0.483 20 30 GCEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1S(=O)(=O)NCC#N ZINC000610924387 1186260284 /nfs/dbraw/zinc/26/02/84/1186260284.db2.gz WCKFNMXCKIMOKC-INIZCTEOSA-N 1 2 392.481 0.344 20 30 GCEDLO Cc1nn(C)c(N2CC[NH+](C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000472154601 1186401878 /nfs/dbraw/zinc/40/18/78/1186401878.db2.gz KGSBRXNEGZMCMI-UXLLHSPISA-N 1 2 376.505 0.192 20 30 GCEDLO C#CCOCCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000785153256 1186691953 /nfs/dbraw/zinc/69/19/53/1186691953.db2.gz RRIGBKKNCBXCPG-UHFFFAOYSA-N 1 2 386.452 0.055 20 30 GCEDLO CCOC(=O)CON=C(C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccn[nH]1 ZINC000277953007 1186719278 /nfs/dbraw/zinc/71/92/78/1186719278.db2.gz HFOHYVUMYRXYNX-PEUHRCAASA-N 1 2 376.417 0.651 20 30 GCEDLO C[C@H]([C@H](C)NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000329129976 1186817247 /nfs/dbraw/zinc/81/72/47/1186817247.db2.gz WPGZOSQMZPCYNL-ZWKOTPCHSA-N 1 2 395.548 0.640 20 30 GCEDLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 ZINC001708263396 1186828248 /nfs/dbraw/zinc/82/82/48/1186828248.db2.gz VDHVEYPUNMMTKV-IKGGRYGDSA-N 1 2 390.488 0.622 20 30 GCEDLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 ZINC001708263396 1186828253 /nfs/dbraw/zinc/82/82/53/1186828253.db2.gz VDHVEYPUNMMTKV-IKGGRYGDSA-N 1 2 390.488 0.622 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023842835 1187158714 /nfs/dbraw/zinc/15/87/14/1187158714.db2.gz IQGIPHLAOHKSRL-VQHPVUNQSA-N 1 2 384.436 0.535 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1O ZINC001023913297 1187168035 /nfs/dbraw/zinc/16/80/35/1187168035.db2.gz GTLKLNABYUQTMX-LHHMISFZSA-N 1 2 376.457 0.402 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1O ZINC001023913297 1187168040 /nfs/dbraw/zinc/16/80/40/1187168040.db2.gz GTLKLNABYUQTMX-LHHMISFZSA-N 1 2 376.457 0.402 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1O ZINC001023916453 1187170665 /nfs/dbraw/zinc/17/06/65/1187170665.db2.gz XPUXGSQGIZZLGL-ZDRJDWQYSA-N 1 2 376.457 0.320 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1O ZINC001023958076 1187192818 /nfs/dbraw/zinc/19/28/18/1187192818.db2.gz HEHSDBQGMDSFTI-VQHPVUNQSA-N 1 2 376.457 0.022 20 30 GCEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000658451525 1187305340 /nfs/dbraw/zinc/30/53/40/1187305340.db2.gz ZCSQMGKCGKYWGI-HNNXBMFYSA-N 1 2 397.483 0.827 20 30 GCEDLO C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1O ZINC001024233798 1187346658 /nfs/dbraw/zinc/34/66/58/1187346658.db2.gz GZIMTPDEDVVQTE-ATNYBXOESA-N 1 2 383.452 0.513 20 30 GCEDLO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cn2)c1 ZINC000612543783 1187518132 /nfs/dbraw/zinc/51/81/32/1187518132.db2.gz VRXCQJREPHSUKP-UHFFFAOYSA-N 1 2 395.419 0.821 20 30 GCEDLO C=CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000685799774 1187571664 /nfs/dbraw/zinc/57/16/64/1187571664.db2.gz DPSDAJXEPAHIHG-HZPDHXFCSA-N 1 2 396.513 0.685 20 30 GCEDLO C=CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000685799774 1187571666 /nfs/dbraw/zinc/57/16/66/1187571666.db2.gz DPSDAJXEPAHIHG-HZPDHXFCSA-N 1 2 396.513 0.685 20 30 GCEDLO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2c[nH+]cn2C)cc1 ZINC000570441062 1187603990 /nfs/dbraw/zinc/60/39/90/1187603990.db2.gz VPERSKIKBSWYFH-UHFFFAOYSA-N 1 2 391.453 0.482 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413963259 1187615593 /nfs/dbraw/zinc/61/55/93/1187615593.db2.gz XLGLFZILVLDMOC-AWEZNQCLSA-N 1 2 394.497 0.452 20 30 GCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000414104524 1187717072 /nfs/dbraw/zinc/71/70/72/1187717072.db2.gz GAKCEJPJLXRZTH-LIRRHRJNSA-N 1 2 388.424 0.475 20 30 GCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000414104524 1187717075 /nfs/dbraw/zinc/71/70/75/1187717075.db2.gz GAKCEJPJLXRZTH-LIRRHRJNSA-N 1 2 388.424 0.475 20 30 GCEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000414106179 1187717876 /nfs/dbraw/zinc/71/78/76/1187717876.db2.gz HWWBCLUKIKONSK-WMLDXEAASA-N 1 2 375.385 0.568 20 30 GCEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000414106179 1187717883 /nfs/dbraw/zinc/71/78/83/1187717883.db2.gz HWWBCLUKIKONSK-WMLDXEAASA-N 1 2 375.385 0.568 20 30 GCEDLO COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414108743 1187717972 /nfs/dbraw/zinc/71/79/72/1187717972.db2.gz MJBZCLFHNZDGDT-QRWLVFNGSA-N 1 2 386.452 0.985 20 30 GCEDLO COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414108743 1187717976 /nfs/dbraw/zinc/71/79/76/1187717976.db2.gz MJBZCLFHNZDGDT-QRWLVFNGSA-N 1 2 386.452 0.985 20 30 GCEDLO O=C(NCC#C[C@@H]1CCCCO1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892543520 1187742129 /nfs/dbraw/zinc/74/21/29/1187742129.db2.gz GJAQDARZZMVNIM-SFHVURJKSA-N 1 2 399.495 0.992 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)CC1 ZINC000163833169 1189408669 /nfs/dbraw/zinc/40/86/69/1189408669.db2.gz NSNSVDXVCLHNOI-UHFFFAOYSA-N 1 2 395.463 0.983 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)CC1 ZINC000163833169 1189408671 /nfs/dbraw/zinc/40/86/71/1189408671.db2.gz NSNSVDXVCLHNOI-UHFFFAOYSA-N 1 2 395.463 0.983 20 30 GCEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290717074 1189493083 /nfs/dbraw/zinc/49/30/83/1189493083.db2.gz HBEOATWWXGZTNA-GFCCVEGCSA-N 1 2 376.388 0.732 20 30 GCEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@H+](C)C1 ZINC000416592808 1189558746 /nfs/dbraw/zinc/55/87/46/1189558746.db2.gz VHHIUKFOARHZIH-LLVKDONJSA-N 1 2 382.398 0.192 20 30 GCEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@@H+](C)C1 ZINC000416592808 1189558747 /nfs/dbraw/zinc/55/87/47/1189558747.db2.gz VHHIUKFOARHZIH-LLVKDONJSA-N 1 2 382.398 0.192 20 30 GCEDLO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1C#N ZINC000126148722 1193722414 /nfs/dbraw/zinc/72/24/14/1193722414.db2.gz ZBONBPJJQJTSTQ-UHFFFAOYSA-N 1 2 376.420 0.906 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366559683 1194219219 /nfs/dbraw/zinc/21/92/19/1194219219.db2.gz VLYMJYNDIMAYND-ZBFHGGJFSA-N 1 2 392.481 0.158 20 30 GCEDLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000513724658 1194234667 /nfs/dbraw/zinc/23/46/67/1194234667.db2.gz IKFHAVLCMIKWEK-UHFFFAOYSA-N 1 2 376.461 0.304 20 30 GCEDLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000513724658 1194234669 /nfs/dbraw/zinc/23/46/69/1194234669.db2.gz IKFHAVLCMIKWEK-UHFFFAOYSA-N 1 2 376.461 0.304 20 30 GCEDLO Cc1cc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc(C)[nH+]1 ZINC000422592398 1194670128 /nfs/dbraw/zinc/67/01/28/1194670128.db2.gz SSOWGWGMEXDEHM-UHFFFAOYSA-N 1 2 378.436 0.930 20 30 GCEDLO N#CCCn1cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c(-c2ccncc2)n1 ZINC000435136307 1194891656 /nfs/dbraw/zinc/89/16/56/1194891656.db2.gz AJWLGRLGVBTVKL-INIZCTEOSA-N 1 2 379.424 0.001 20 30 GCEDLO N#CCCn1cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c(-c2ccncc2)n1 ZINC000435136307 1194891658 /nfs/dbraw/zinc/89/16/58/1194891658.db2.gz AJWLGRLGVBTVKL-INIZCTEOSA-N 1 2 379.424 0.001 20 30 GCEDLO CC(=O)N[C@@H](CS)C(=O)N1CCCC2(C[NH+](Cc3cc(C)nn3C)C2)C1 ZINC001270180372 1195077893 /nfs/dbraw/zinc/07/78/93/1195077893.db2.gz WAEXXXRGJCSSAD-INIZCTEOSA-N 1 2 379.530 0.587 20 30 GCEDLO C=CCn1cc(CNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nn1 ZINC000425871639 1195143882 /nfs/dbraw/zinc/14/38/82/1195143882.db2.gz IHZWSUODJVLSDT-UHFFFAOYSA-N 1 2 382.432 0.173 20 30 GCEDLO C[C@@H](C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOCC1 ZINC000328858572 1195159066 /nfs/dbraw/zinc/15/90/66/1195159066.db2.gz KXSQGZNYFDOMBT-INIZCTEOSA-N 1 2 375.473 0.798 20 30 GCEDLO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000017843462 1195343270 /nfs/dbraw/zinc/34/32/70/1195343270.db2.gz ZOOOMOXURDQEBL-NRFANRHFSA-N 1 2 395.463 0.923 20 30 GCEDLO C[N@@H+]1CCc2ncnc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2C1 ZINC000506904148 1195478374 /nfs/dbraw/zinc/47/83/74/1195478374.db2.gz SWOCPKJQXHJAJE-UHFFFAOYSA-N 1 2 398.492 0.847 20 30 GCEDLO C[N@H+]1CCc2ncnc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2C1 ZINC000506904148 1195478377 /nfs/dbraw/zinc/47/83/77/1195478377.db2.gz SWOCPKJQXHJAJE-UHFFFAOYSA-N 1 2 398.492 0.847 20 30 GCEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000519604240 1195515748 /nfs/dbraw/zinc/51/57/48/1195515748.db2.gz CSVHKBWOWALOPB-MRXNPFEDSA-N 1 2 392.485 0.473 20 30 GCEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000519604240 1195515752 /nfs/dbraw/zinc/51/57/52/1195515752.db2.gz CSVHKBWOWALOPB-MRXNPFEDSA-N 1 2 392.485 0.473 20 30 GCEDLO CC(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000328897490 1195675096 /nfs/dbraw/zinc/67/50/96/1195675096.db2.gz XKNQSIZOMQKURY-KRWDZBQOSA-N 1 2 380.489 0.667 20 30 GCEDLO CC(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC000328897490 1195675098 /nfs/dbraw/zinc/67/50/98/1195675098.db2.gz XKNQSIZOMQKURY-KRWDZBQOSA-N 1 2 380.489 0.667 20 30 GCEDLO O=C(Nc1cnn(CCN2CCOCC2)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000328897564 1195675263 /nfs/dbraw/zinc/67/52/63/1195675263.db2.gz XLPXVFWDSOEZKX-SFHVURJKSA-N 1 2 392.504 0.557 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000328958786 1195682055 /nfs/dbraw/zinc/68/20/55/1195682055.db2.gz JVZXKIOLSFNWLV-OKYOBFRVSA-N 1 2 378.517 0.541 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000328958786 1195682057 /nfs/dbraw/zinc/68/20/57/1195682057.db2.gz JVZXKIOLSFNWLV-OKYOBFRVSA-N 1 2 378.517 0.541 20 30 GCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000330664973 1195699941 /nfs/dbraw/zinc/69/99/41/1195699941.db2.gz ZGXCUEIFLRDCMR-HZPDHXFCSA-N 1 2 389.566 0.330 20 30 GCEDLO CCN(C1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1)S(C)(=O)=O ZINC000330661847 1195700251 /nfs/dbraw/zinc/70/02/51/1195700251.db2.gz COVXMNBXPNPITE-UHFFFAOYSA-N 1 2 390.550 0.757 20 30 GCEDLO CCN(C1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1)S(C)(=O)=O ZINC000330661847 1195700255 /nfs/dbraw/zinc/70/02/55/1195700255.db2.gz COVXMNBXPNPITE-UHFFFAOYSA-N 1 2 390.550 0.757 20 30 GCEDLO N#Cc1ccc(C[NH+]2CCN([C@H]3CC(=O)N(c4cnccn4)C3=O)CC2)cc1 ZINC000520777479 1195853754 /nfs/dbraw/zinc/85/37/54/1195853754.db2.gz FYYYWQOFDVCHGV-KRWDZBQOSA-N 1 2 376.420 0.798 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCO[C@H](CC)C2)cc1 ZINC000428063510 1195908863 /nfs/dbraw/zinc/90/88/63/1195908863.db2.gz UFTNWVXREBEXNS-MRXNPFEDSA-N 1 2 381.498 0.992 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCO[C@H](CC)C2)cc1 ZINC000428063510 1195908864 /nfs/dbraw/zinc/90/88/64/1195908864.db2.gz UFTNWVXREBEXNS-MRXNPFEDSA-N 1 2 381.498 0.992 20 30 GCEDLO CCS(=O)(=O)NCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000508279026 1195913601 /nfs/dbraw/zinc/91/36/01/1195913601.db2.gz IDXBKFWPEASFMO-UHFFFAOYSA-N 1 2 393.513 0.715 20 30 GCEDLO N#Cc1ccc(OC[C@H](O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000025951490 1195937220 /nfs/dbraw/zinc/93/72/20/1195937220.db2.gz IVCBQDGEUSNDIS-LJQANCHMSA-N 1 2 386.496 0.928 20 30 GCEDLO N#Cc1ccc(OC[C@H](O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000025951490 1195937222 /nfs/dbraw/zinc/93/72/22/1195937222.db2.gz IVCBQDGEUSNDIS-LJQANCHMSA-N 1 2 386.496 0.928 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000443207307 1196028045 /nfs/dbraw/zinc/02/80/45/1196028045.db2.gz IEEHNLPDNVGHPU-UHFFFAOYSA-N 1 2 381.498 0.680 20 30 GCEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000443246991 1196030867 /nfs/dbraw/zinc/03/08/67/1196030867.db2.gz KFZJLJJLUPVEIR-CYBMUJFWSA-N 1 2 380.426 0.809 20 30 GCEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000550500086 1196057411 /nfs/dbraw/zinc/05/74/11/1196057411.db2.gz IPRPKVOIZCAZFI-UHFFFAOYSA-N 1 2 393.509 0.873 20 30 GCEDLO CC#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000550500086 1196057412 /nfs/dbraw/zinc/05/74/12/1196057412.db2.gz IPRPKVOIZCAZFI-UHFFFAOYSA-N 1 2 393.509 0.873 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(CC(=O)NC)no2)[C@@H]1CC ZINC001087732109 1196069550 /nfs/dbraw/zinc/06/95/50/1196069550.db2.gz BVONOHFMCWLAKW-BARDWOONSA-N 1 2 391.472 0.418 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(CC(=O)NC)no2)[C@@H]1CC ZINC001087732109 1196069552 /nfs/dbraw/zinc/06/95/52/1196069552.db2.gz BVONOHFMCWLAKW-BARDWOONSA-N 1 2 391.472 0.418 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000895919408 1196117972 /nfs/dbraw/zinc/11/79/72/1196117972.db2.gz UMZWCXVJSYSQHU-MRXNPFEDSA-N 1 2 381.498 0.686 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OC)c(COCC)c2)CC1 ZINC000895915824 1196117984 /nfs/dbraw/zinc/11/79/84/1196117984.db2.gz LHRYGVRDLKEJNS-UHFFFAOYSA-N 1 2 381.498 0.817 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000895923741 1196118268 /nfs/dbraw/zinc/11/82/68/1196118268.db2.gz XSKSRJTZVMAOFZ-UHFFFAOYSA-N 1 2 386.518 0.377 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2csnn2)CC3)CC1 ZINC000329117024 1196165948 /nfs/dbraw/zinc/16/59/48/1196165948.db2.gz UHECXQOXKFHWMZ-LBPRGKRZSA-N 1 2 389.485 0.689 20 30 GCEDLO CC(C)(CNC(=O)CN1CCCC[C@@H]1C(=O)N1CCOCC1)[NH+]1CCOCC1 ZINC000329121498 1196166138 /nfs/dbraw/zinc/16/61/38/1196166138.db2.gz WFCUTYAIYXQCCL-QGZVFWFLSA-N 1 2 396.532 0.767 20 30 GCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000329148913 1196168477 /nfs/dbraw/zinc/16/84/77/1196168477.db2.gz YNKALPNBPXXRKM-GDBMZVCRSA-N 1 2 391.520 0.785 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@]3(C)CCS(=O)(=O)C3)ccn2)CC1 ZINC000329267308 1196181366 /nfs/dbraw/zinc/18/13/66/1196181366.db2.gz GBPABXPVIHITES-QGZVFWFLSA-N 1 2 395.485 0.182 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@]3(O)CCSC3)ccn2)CC1 ZINC000329270163 1196181933 /nfs/dbraw/zinc/18/19/33/1196181933.db2.gz HFILFRBNUCBPPY-KRWDZBQOSA-N 1 2 379.486 0.663 20 30 GCEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329362805 1196188704 /nfs/dbraw/zinc/18/87/04/1196188704.db2.gz IYNBBWHFMRCKKV-IRXDYDNUSA-N 1 2 379.461 0.641 20 30 GCEDLO CC(=O)N1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000329416715 1196193873 /nfs/dbraw/zinc/19/38/73/1196193873.db2.gz GFXXVTFLSWBMHB-AWEZNQCLSA-N 1 2 388.472 0.567 20 30 GCEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000329459676 1196197922 /nfs/dbraw/zinc/19/79/22/1196197922.db2.gz ROBNVDBHSCIYFO-IBGZPJMESA-N 1 2 386.496 0.999 20 30 GCEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000329459676 1196197924 /nfs/dbraw/zinc/19/79/24/1196197924.db2.gz ROBNVDBHSCIYFO-IBGZPJMESA-N 1 2 386.496 0.999 20 30 GCEDLO C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCN1c1nccn2cnnc12 ZINC000329608882 1196209618 /nfs/dbraw/zinc/20/96/18/1196209618.db2.gz NFWQPCSSQHTAQH-OLZOCXBDSA-N 1 2 381.444 0.829 20 30 GCEDLO CC(C)C(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000329752799 1196229780 /nfs/dbraw/zinc/22/97/80/1196229780.db2.gz JRQIKOGSCSXCPH-QGZVFWFLSA-N 1 2 394.516 0.771 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@H](OCCO)C3)ccn2)CC1 ZINC000329805132 1196232135 /nfs/dbraw/zinc/23/21/35/1196232135.db2.gz AKEBXRMZFZSWPO-INIZCTEOSA-N 1 2 391.472 0.488 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN4CCOC[C@H]4C3)ccn2)CC1 ZINC000329815439 1196232458 /nfs/dbraw/zinc/23/24/58/1196232458.db2.gz FBRRQTZNESXAHD-MRXNPFEDSA-N 1 2 388.472 0.031 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3CCCS(=O)(=O)C3)ccn2)CC1 ZINC000329814170 1196232538 /nfs/dbraw/zinc/23/25/38/1196232538.db2.gz DRNDMNVBBBBLJK-CQSZACIVSA-N 1 2 395.485 0.182 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3(CO)CCOCC3)ccn2)CC1 ZINC000329829798 1196233286 /nfs/dbraw/zinc/23/32/86/1196233286.db2.gz JMZOYTDYOKKOIL-UHFFFAOYSA-N 1 2 391.472 0.584 20 30 GCEDLO CC(C)N1CC[C@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1=O ZINC000329847428 1196234077 /nfs/dbraw/zinc/23/40/77/1196234077.db2.gz PHLUBNBKVSIVKX-HNNXBMFYSA-N 1 2 388.472 0.614 20 30 GCEDLO CCC(=O)N1CC[C@@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329848229 1196234262 /nfs/dbraw/zinc/23/42/62/1196234262.db2.gz PNVHJXREVREWER-OAHLLOKOSA-N 1 2 388.472 0.615 20 30 GCEDLO Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)o1 ZINC000329901562 1196237558 /nfs/dbraw/zinc/23/75/58/1196237558.db2.gz HARKOPKXTKYSTE-SNPRPXQTSA-N 1 2 384.456 0.861 20 30 GCEDLO CCN1CCCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000329960771 1196242682 /nfs/dbraw/zinc/24/26/82/1196242682.db2.gz RGGYDKFYLOYCBJ-UHFFFAOYSA-N 1 2 388.472 0.569 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000330120333 1196253842 /nfs/dbraw/zinc/25/38/42/1196253842.db2.gz IWXWRMVDYYKLHY-HBFSDRIKSA-N 1 2 378.517 0.949 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000330120333 1196253845 /nfs/dbraw/zinc/25/38/45/1196253845.db2.gz IWXWRMVDYYKLHY-HBFSDRIKSA-N 1 2 378.517 0.949 20 30 GCEDLO CCO[C@@H]1C[C@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@@H]1OC ZINC000330119665 1196253925 /nfs/dbraw/zinc/25/39/25/1196253925.db2.gz IKYQPIXLNYOIAR-UAGQMJEPSA-N 1 2 391.472 0.797 20 30 GCEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCN1CCCS1(=O)=O ZINC000330308457 1196273207 /nfs/dbraw/zinc/27/32/07/1196273207.db2.gz SUCSUVPIXOSFNT-UHFFFAOYSA-N 1 2 383.474 0.588 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCOC4)CC[C@@H]2C1 ZINC001088112637 1196365099 /nfs/dbraw/zinc/36/50/99/1196365099.db2.gz PYOPRQKFDUSVNQ-TWMKSMIVSA-N 1 2 387.484 0.680 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCOC4)CC[C@@H]2C1 ZINC001088112637 1196365102 /nfs/dbraw/zinc/36/51/02/1196365102.db2.gz PYOPRQKFDUSVNQ-TWMKSMIVSA-N 1 2 387.484 0.680 20 30 GCEDLO N#Cc1cc(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1F ZINC000475447400 1196428564 /nfs/dbraw/zinc/42/85/64/1196428564.db2.gz PFYDLHKDVCLINF-UHFFFAOYSA-N 1 2 386.387 0.803 20 30 GCEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000525340918 1196674242 /nfs/dbraw/zinc/67/42/42/1196674242.db2.gz QHMBUDJFCYZZGB-UHFFFAOYSA-N 1 2 383.456 0.644 20 30 GCEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000525523834 1196687961 /nfs/dbraw/zinc/68/79/61/1196687961.db2.gz WJWRNHYHOZEDEP-UHFFFAOYSA-N 1 2 390.469 0.542 20 30 GCEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](CC(=O)NC3(C#N)CCC3)CC2)n1 ZINC000527384913 1196783326 /nfs/dbraw/zinc/78/33/26/1196783326.db2.gz YCKHKYUDMZJXOT-AWEZNQCLSA-N 1 2 376.461 0.847 20 30 GCEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)CC2)n1 ZINC000527384913 1196783329 /nfs/dbraw/zinc/78/33/29/1196783329.db2.gz YCKHKYUDMZJXOT-AWEZNQCLSA-N 1 2 376.461 0.847 20 30 GCEDLO N#Cc1ccc(N2C[C@@H](C(=O)N3CC[NH+](CCO)CC3)CC2=O)cc1Cl ZINC000448673608 1196824146 /nfs/dbraw/zinc/82/41/46/1196824146.db2.gz SSDIDLGCSKNAST-AWEZNQCLSA-N 1 2 376.844 0.701 20 30 GCEDLO Cn1cc(C[NH+]2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cn1 ZINC000528377963 1196853473 /nfs/dbraw/zinc/85/34/73/1196853473.db2.gz LXEFVGKLXWRGDW-UHFFFAOYSA-N 1 2 377.448 0.837 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)c1C#N ZINC000530408484 1196985772 /nfs/dbraw/zinc/98/57/72/1196985772.db2.gz RCRFYCYXCNJOTJ-CQSZACIVSA-N 1 2 375.477 0.153 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)c1C#N ZINC000530408484 1196985774 /nfs/dbraw/zinc/98/57/74/1196985774.db2.gz RCRFYCYXCNJOTJ-CQSZACIVSA-N 1 2 375.477 0.153 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000532210644 1197126450 /nfs/dbraw/zinc/12/64/50/1197126450.db2.gz WCUQXEMNLXBLRQ-KBPBESRZSA-N 1 2 380.470 0.062 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000532210644 1197126455 /nfs/dbraw/zinc/12/64/55/1197126455.db2.gz WCUQXEMNLXBLRQ-KBPBESRZSA-N 1 2 380.470 0.062 20 30 GCEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C)nn1 ZINC000988062886 1197288779 /nfs/dbraw/zinc/28/87/79/1197288779.db2.gz AQDWHSDESQMQIU-TUVASFSCSA-N 1 2 383.456 0.721 20 30 GCEDLO C=C1CC[NH+](CC(=O)N(CCOC)c2c(N)n(CCCC)c(=O)[nH]c2=O)CC1 ZINC000532553517 1197327292 /nfs/dbraw/zinc/32/72/92/1197327292.db2.gz GRRDGBVCKYYICR-UHFFFAOYSA-N 1 2 393.488 0.963 20 30 GCEDLO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O ZINC000459355674 1197379093 /nfs/dbraw/zinc/37/90/93/1197379093.db2.gz XNNXOMFJRJVABX-GFCCVEGCSA-N 1 2 384.396 0.869 20 30 GCEDLO N#Cc1cccc(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000532998124 1197425850 /nfs/dbraw/zinc/42/58/50/1197425850.db2.gz VZVLBGROMGFLBF-UHFFFAOYSA-N 1 2 382.424 0.342 20 30 GCEDLO COC(=O)CN(CCC(=O)Nc1sccc1C#N)CC[NH+]1CCOCC1 ZINC000533433989 1197451562 /nfs/dbraw/zinc/45/15/62/1197451562.db2.gz BJSZVPATGUTFTB-UHFFFAOYSA-N 1 2 380.470 0.756 20 30 GCEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC000533462059 1197453048 /nfs/dbraw/zinc/45/30/48/1197453048.db2.gz PPIVCFJRQLQWOH-AWEZNQCLSA-N 1 2 390.444 0.140 20 30 GCEDLO COc1ccc(C#N)cc1CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000533461416 1197453700 /nfs/dbraw/zinc/45/37/00/1197453700.db2.gz PUNSSRGQRLDZKF-UHFFFAOYSA-N 1 2 393.513 0.177 20 30 GCEDLO C=CCNC(=O)CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000271943750 1197559575 /nfs/dbraw/zinc/55/95/75/1197559575.db2.gz IAEZXNDTCSYHGL-UHFFFAOYSA-N 1 2 376.457 0.499 20 30 GCEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@H](OC)C1 ZINC001212430663 1199039159 /nfs/dbraw/zinc/03/91/59/1199039159.db2.gz VSBCNKHOQCHOPB-MTNOOBJLSA-N 1 2 379.501 0.818 20 30 GCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@H](OC)C1 ZINC001212430663 1199039163 /nfs/dbraw/zinc/03/91/63/1199039163.db2.gz VSBCNKHOQCHOPB-MTNOOBJLSA-N 1 2 379.501 0.818 20 30 GCEDLO C=CCn1c(-c2cn[nH]c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000624844738 1199141162 /nfs/dbraw/zinc/14/11/62/1199141162.db2.gz IEWJNVJMWGOUFT-HNNXBMFYSA-N 1 2 384.488 0.987 20 30 GCEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nn1 ZINC001002761374 1199259508 /nfs/dbraw/zinc/25/95/08/1199259508.db2.gz SGTLRGGNIUFAPS-LYUDMSCLSA-N 1 2 381.440 0.853 20 30 GCEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nn1 ZINC001002761374 1199259511 /nfs/dbraw/zinc/25/95/11/1199259511.db2.gz SGTLRGGNIUFAPS-LYUDMSCLSA-N 1 2 381.440 0.853 20 30 GCEDLO N#C[C@H]1CN(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCO1 ZINC000499669387 1199541649 /nfs/dbraw/zinc/54/16/49/1199541649.db2.gz UIVUVOUHEVBZJD-KSZLIROESA-N 1 2 392.481 0.041 20 30 GCEDLO N#C[C@H]1CN(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCO1 ZINC000499669387 1199541652 /nfs/dbraw/zinc/54/16/52/1199541652.db2.gz UIVUVOUHEVBZJD-KSZLIROESA-N 1 2 392.481 0.041 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CCNC(=O)C(C)C)CC2)o1 ZINC000157289218 1199915503 /nfs/dbraw/zinc/91/55/03/1199915503.db2.gz IAZJEYMLTWSJRJ-UHFFFAOYSA-N 1 2 376.461 0.207 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CCNC(=O)C(C)C)CC2)o1 ZINC000157289218 1199915504 /nfs/dbraw/zinc/91/55/04/1199915504.db2.gz IAZJEYMLTWSJRJ-UHFFFAOYSA-N 1 2 376.461 0.207 20 30 GCEDLO CCN1C(=O)[C@@H]2C[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000625225119 1199920062 /nfs/dbraw/zinc/92/00/62/1199920062.db2.gz UCGJMENMWFOXNB-INIZCTEOSA-N 1 2 380.404 0.254 20 30 GCEDLO CCN1C(=O)[C@@H]2C[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000625225119 1199920064 /nfs/dbraw/zinc/92/00/64/1199920064.db2.gz UCGJMENMWFOXNB-INIZCTEOSA-N 1 2 380.404 0.254 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000429151232 1199955349 /nfs/dbraw/zinc/95/53/49/1199955349.db2.gz RFMBFCNNMCZHJB-UHFFFAOYSA-N 1 2 379.486 0.968 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000429151232 1199955350 /nfs/dbraw/zinc/95/53/50/1199955350.db2.gz RFMBFCNNMCZHJB-UHFFFAOYSA-N 1 2 379.486 0.968 20 30 GCEDLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029860053 1199977036 /nfs/dbraw/zinc/97/70/36/1199977036.db2.gz QNPDXEBVCGESCJ-CQSZACIVSA-N 1 2 387.459 0.932 20 30 GCEDLO N#Cc1cc2c(nc1NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCOC2 ZINC000450292718 1200684160 /nfs/dbraw/zinc/68/41/60/1200684160.db2.gz IOXGEJAJYSHXQL-UHFFFAOYSA-N 1 2 392.463 1.572 20 30 GCEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000551281432 1201098835 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ZINC001109103865 1201994558 /nfs/dbraw/zinc/99/45/58/1201994558.db2.gz VUUFOSKDEXTUNC-FZKCQIBNSA-N 1 2 380.489 0.925 20 30 GCEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCc2cccnc2)[nH]1 ZINC001109154356 1201998967 /nfs/dbraw/zinc/99/89/67/1201998967.db2.gz YAZXJKRMZNVAMS-NJAFHUGGSA-N 1 2 378.436 0.933 20 30 GCEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCc2cccnc2)[nH]1 ZINC001109154356 1201998969 /nfs/dbraw/zinc/99/89/69/1201998969.db2.gz YAZXJKRMZNVAMS-NJAFHUGGSA-N 1 2 378.436 0.933 20 30 GCEDLO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#Cc1ccccc1 ZINC001109192195 1202003284 /nfs/dbraw/zinc/00/32/84/1202003284.db2.gz ITYNVTJVWPSWTN-SQNIBIBYSA-N 1 2 382.464 0.012 20 30 GCEDLO CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#Cc1ccccc1 ZINC001109192195 1202003288 /nfs/dbraw/zinc/00/32/88/1202003288.db2.gz ITYNVTJVWPSWTN-SQNIBIBYSA-N 1 2 382.464 0.012 20 30 GCEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc[nH]1)C2)NCC#Cc1ccccc1 ZINC001109239799 1202008346 /nfs/dbraw/zinc/00/83/46/1202008346.db2.gz LCTSIPQWONIULG-SQNIBIBYSA-N 1 2 377.448 0.913 20 30 GCEDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncc[nH]1)C2)NCC#Cc1ccccc1 ZINC001109239799 1202008351 /nfs/dbraw/zinc/00/83/51/1202008351.db2.gz LCTSIPQWONIULG-SQNIBIBYSA-N 1 2 377.448 0.913 20 30 GCEDLO Cc1nc2ccccc2n1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109255500 1202009442 /nfs/dbraw/zinc/00/94/42/1202009442.db2.gz QIPVXKYNQUJJPT-HFTRVMKXSA-N 1 2 380.452 0.706 20 30 GCEDLO Cc1nc2ccccc2n1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109255500 1202009443 /nfs/dbraw/zinc/00/94/43/1202009443.db2.gz QIPVXKYNQUJJPT-HFTRVMKXSA-N 1 2 380.452 0.706 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(C)nc3ccccc31)C2 ZINC001109255294 1202009650 /nfs/dbraw/zinc/00/96/50/1202009650.db2.gz NPGWZBFSYNYXAQ-AYBZRNKSSA-N 1 2 379.464 0.816 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(C)nc3ccccc31)C2 ZINC001109255294 1202009654 /nfs/dbraw/zinc/00/96/54/1202009654.db2.gz NPGWZBFSYNYXAQ-AYBZRNKSSA-N 1 2 379.464 0.816 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCOCC ZINC001109303359 1202018011 /nfs/dbraw/zinc/01/80/11/1202018011.db2.gz PWUDPVAWTCAJNI-ZBRFXRBCSA-N 1 2 379.501 0.842 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCOCC ZINC001109303359 1202018015 /nfs/dbraw/zinc/01/80/15/1202018015.db2.gz PWUDPVAWTCAJNI-ZBRFXRBCSA-N 1 2 379.501 0.842 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Br)n[nH]1)C2 ZINC001109357637 1202024014 /nfs/dbraw/zinc/02/40/14/1202024014.db2.gz RACOHWWHLANOMW-SCVCMEIPSA-N 1 2 382.262 0.810 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Br)n[nH]1)C2 ZINC001109357637 1202024017 /nfs/dbraw/zinc/02/40/17/1202024017.db2.gz RACOHWWHLANOMW-SCVCMEIPSA-N 1 2 382.262 0.810 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3ccccc3)nn1)C2 ZINC001109481196 1202060320 /nfs/dbraw/zinc/06/03/20/1202060320.db2.gz XFBPNECFWJTLRR-RYRKJORJSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(-c3ccccc3)nn1)C2 ZINC001109481196 1202060321 /nfs/dbraw/zinc/06/03/21/1202060321.db2.gz XFBPNECFWJTLRR-RYRKJORJSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nn(C)c1Cl)C2 ZINC001109487105 1202062237 /nfs/dbraw/zinc/06/22/37/1202062237.db2.gz DOVRSUXMHCDLCA-SNPRPXQTSA-N 1 2 379.892 0.948 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c(C)nn(C)c1Cl)C2 ZINC001109487105 1202062238 /nfs/dbraw/zinc/06/22/38/1202062238.db2.gz DOVRSUXMHCDLCA-SNPRPXQTSA-N 1 2 379.892 0.948 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)N(C)C(=O)C3)C2 ZINC001109490198 1202063819 /nfs/dbraw/zinc/06/38/19/1202063819.db2.gz JPCYORCNPIMMSJ-IKGGRYGDSA-N 1 2 382.464 0.843 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)N(C)C(=O)C3)C2 ZINC001109490198 1202063821 /nfs/dbraw/zinc/06/38/21/1202063821.db2.gz JPCYORCNPIMMSJ-IKGGRYGDSA-N 1 2 382.464 0.843 20 30 GCEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1=O ZINC000769854554 1202072981 /nfs/dbraw/zinc/07/29/81/1202072981.db2.gz RZNXCKXDCXKIEZ-UHFFFAOYSA-N 1 2 385.468 0.699 20 30 GCEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)Cc2cccc(N(C)C)c2)c1=O ZINC000769854554 1202072983 /nfs/dbraw/zinc/07/29/83/1202072983.db2.gz RZNXCKXDCXKIEZ-UHFFFAOYSA-N 1 2 385.468 0.699 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)Nc3ccccc31)C2 ZINC001109577073 1202082384 /nfs/dbraw/zinc/08/23/84/1202082384.db2.gz PLIMPIYPWJVKHV-IRWJRLHMSA-N 1 2 381.436 0.474 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)Nc3ccccc31)C2 ZINC001109577073 1202082387 /nfs/dbraw/zinc/08/23/87/1202082387.db2.gz PLIMPIYPWJVKHV-IRWJRLHMSA-N 1 2 381.436 0.474 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)C1CCC1)C2 ZINC001109574216 1202083101 /nfs/dbraw/zinc/08/31/01/1202083101.db2.gz TWIPURRCWNCLOP-AESZEHBQSA-N 1 2 378.473 0.535 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)C1CCC1)C2 ZINC001109574216 1202083104 /nfs/dbraw/zinc/08/31/04/1202083104.db2.gz TWIPURRCWNCLOP-AESZEHBQSA-N 1 2 378.473 0.535 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3[nH]c1=O)C2 ZINC001109578199 1202083674 /nfs/dbraw/zinc/08/36/74/1202083674.db2.gz OPVJUAJMPZXOSG-COXVUDFISA-N 1 2 379.420 0.915 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccc3[nH]c1=O)C2 ZINC001109578199 1202083675 /nfs/dbraw/zinc/08/36/75/1202083675.db2.gz OPVJUAJMPZXOSG-COXVUDFISA-N 1 2 379.420 0.915 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)c1 ZINC001109697282 1202105163 /nfs/dbraw/zinc/10/51/63/1202105163.db2.gz YRLMLWMAJOWPEZ-IKGGRYGDSA-N 1 2 381.436 0.386 20 30 GCEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)c1 ZINC001109697282 1202105165 /nfs/dbraw/zinc/10/51/65/1202105165.db2.gz YRLMLWMAJOWPEZ-IKGGRYGDSA-N 1 2 381.436 0.386 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 ZINC001109721816 1202112306 /nfs/dbraw/zinc/11/23/06/1202112306.db2.gz ZPHBGHOQOUIREH-ALYAQQCSSA-N 1 2 389.500 0.372 20 30 GCEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 ZINC001109721816 1202112310 /nfs/dbraw/zinc/11/23/10/1202112310.db2.gz ZPHBGHOQOUIREH-ALYAQQCSSA-N 1 2 389.500 0.372 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC ZINC001109819314 1202127902 /nfs/dbraw/zinc/12/79/02/1202127902.db2.gz DWBAMLSRWPCCDD-MDLJMBGESA-N 1 2 378.473 0.535 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC ZINC001109819314 1202127905 /nfs/dbraw/zinc/12/79/05/1202127905.db2.gz DWBAMLSRWPCCDD-MDLJMBGESA-N 1 2 378.473 0.535 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(=O)N(C)C)C3)c1 ZINC001109812944 1202128653 /nfs/dbraw/zinc/12/86/53/1202128653.db2.gz WYNULXATXYGCLU-SQNIBIBYSA-N 1 2 382.464 0.806 20 30 GCEDLO C#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC(=O)N(C)C)C3)c1 ZINC001109812944 1202128655 /nfs/dbraw/zinc/12/86/55/1202128655.db2.gz WYNULXATXYGCLU-SQNIBIBYSA-N 1 2 382.464 0.806 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)CC ZINC001109826783 1202130190 /nfs/dbraw/zinc/13/01/90/1202130190.db2.gz YIFWIEWDPGNLQZ-XAJHFOFHSA-N 1 2 385.530 0.628 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)CC ZINC001109826783 1202130191 /nfs/dbraw/zinc/13/01/91/1202130191.db2.gz YIFWIEWDPGNLQZ-XAJHFOFHSA-N 1 2 385.530 0.628 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnc3)cc1)C2 ZINC001109840000 1202131462 /nfs/dbraw/zinc/13/14/62/1202131462.db2.gz GRAUQRDUHKCDGV-IKGGRYGDSA-N 1 2 379.424 0.242 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cnnc3)cc1)C2 ZINC001109840000 1202131463 /nfs/dbraw/zinc/13/14/63/1202131463.db2.gz GRAUQRDUHKCDGV-IKGGRYGDSA-N 1 2 379.424 0.242 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cccc(OC)c13)C2 ZINC001109849056 1202134980 /nfs/dbraw/zinc/13/49/80/1202134980.db2.gz AKKXUVQMBNFHIP-KBMXLJTQSA-N 1 2 381.436 0.427 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3cccc(OC)c13)C2 ZINC001109849056 1202134982 /nfs/dbraw/zinc/13/49/82/1202134982.db2.gz AKKXUVQMBNFHIP-KBMXLJTQSA-N 1 2 381.436 0.427 20 30 GCEDLO Cn1cc(S(=O)(=O)NN=C2CCCC[C@H]2[NH+]2CCCCC2)c(=O)n(C)c1=O ZINC000771893127 1202168467 /nfs/dbraw/zinc/16/84/67/1202168467.db2.gz XFHYEYCRSVRLOC-CQSZACIVSA-N 1 2 397.501 0.147 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C(=O)N(C)C)C2 ZINC001109986131 1202169745 /nfs/dbraw/zinc/16/97/45/1202169745.db2.gz GKBQICVQGHUBOO-JLSDUUJJSA-N 1 2 382.464 0.473 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C(=O)N(C)C)C2 ZINC001109986131 1202169749 /nfs/dbraw/zinc/16/97/49/1202169749.db2.gz GKBQICVQGHUBOO-JLSDUUJJSA-N 1 2 382.464 0.473 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNS(=O)(=O)CC)nc1 ZINC001109997933 1202171131 /nfs/dbraw/zinc/17/11/31/1202171131.db2.gz KAKSFSQWOBAGDB-PVAVHDDUSA-N 1 2 376.482 0.337 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNS(=O)(=O)CC)nc1 ZINC001109997933 1202171132 /nfs/dbraw/zinc/17/11/32/1202171132.db2.gz KAKSFSQWOBAGDB-PVAVHDDUSA-N 1 2 376.482 0.337 20 30 GCEDLO C#C[C@@H](NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000788009693 1205411537 /nfs/dbraw/zinc/41/15/37/1205411537.db2.gz DLQCMGKNZSVUCB-RTBURBONSA-N 1 2 384.480 0.222 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)ccc2-n2cnnc2)CC1 ZINC000789975571 1205454333 /nfs/dbraw/zinc/45/43/33/1205454333.db2.gz DZOQNUDHZSDWHI-UHFFFAOYSA-N 1 2 380.452 0.473 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)ccc2-n2cnnc2)CC1 ZINC000789975571 1205454334 /nfs/dbraw/zinc/45/43/34/1205454334.db2.gz DZOQNUDHZSDWHI-UHFFFAOYSA-N 1 2 380.452 0.473 20 30 GCEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1=O ZINC000790455708 1205465088 /nfs/dbraw/zinc/46/50/88/1205465088.db2.gz KOFOUHHFSPYNLE-OXQOHEQNSA-N 1 2 381.436 0.979 20 30 GCEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)C1=O ZINC000790455708 1205465091 /nfs/dbraw/zinc/46/50/91/1205465091.db2.gz KOFOUHHFSPYNLE-OXQOHEQNSA-N 1 2 381.436 0.979 20 30 GCEDLO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1c[nH+]c2n1CCCC2 ZINC000791396810 1205477093 /nfs/dbraw/zinc/47/70/93/1205477093.db2.gz FVLKKSHUBWEFML-UHFFFAOYSA-N 1 2 387.465 0.964 20 30 GCEDLO C=CC[N@@H+](CCOC)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000792407712 1205487157 /nfs/dbraw/zinc/48/71/57/1205487157.db2.gz VEAQZCATAXIBGF-IBGZPJMESA-N 1 2 390.440 0.628 20 30 GCEDLO C=CC[N@H+](CCOC)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000792407712 1205487158 /nfs/dbraw/zinc/48/71/58/1205487158.db2.gz VEAQZCATAXIBGF-IBGZPJMESA-N 1 2 390.440 0.628 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)Nc1cc(C)on1)C2 ZINC001110099336 1205494778 /nfs/dbraw/zinc/49/47/78/1205494778.db2.gz GJCWELVNFXFXLE-MQYQWHSLSA-N 1 2 375.429 0.334 20 30 GCEDLO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(=O)Nc1cc(C)on1)C2 ZINC001110099336 1205494779 /nfs/dbraw/zinc/49/47/79/1205494779.db2.gz GJCWELVNFXFXLE-MQYQWHSLSA-N 1 2 375.429 0.334 20 30 GCEDLO CC[C@@H]1C[C@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)n1 ZINC001130237894 1205539120 /nfs/dbraw/zinc/53/91/20/1205539120.db2.gz ISFLAZXJUOIEHH-QXSJWSMHSA-N 1 2 375.473 0.579 20 30 GCEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCO[C@H]2C(=C)C)n[nH]1 ZINC001130242174 1205539393 /nfs/dbraw/zinc/53/93/93/1205539393.db2.gz KDRLRSFUBWNUKQ-OVWQWFNUSA-N 1 2 387.484 0.888 20 30 GCEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000807677067 1205588162 /nfs/dbraw/zinc/58/81/62/1205588162.db2.gz RGYJOQJWFOUUFH-QGZVFWFLSA-N 1 2 378.436 0.784 20 30 GCEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000807677067 1205588164 /nfs/dbraw/zinc/58/81/64/1205588164.db2.gz RGYJOQJWFOUUFH-QGZVFWFLSA-N 1 2 378.436 0.784 20 30 GCEDLO N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000807695194 1205588563 /nfs/dbraw/zinc/58/85/63/1205588563.db2.gz RQUQWZSYRMXDDX-OAHLLOKOSA-N 1 2 379.424 0.271 20 30 GCEDLO CN1CCN(S(=O)(=O)c2cccnc2N=NCc2ccc(N)[nH+]c2)CC1 ZINC000807973187 1205595332 /nfs/dbraw/zinc/59/53/32/1205595332.db2.gz MZTVCEVQGVIKEI-UHFFFAOYSA-N 1 2 375.458 0.441 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3n[nH]c(C)c3c1)C2 ZINC001110103289 1205661397 /nfs/dbraw/zinc/66/13/97/1205661397.db2.gz MTZRARJLOTYHHS-YVVXQTMVSA-N 1 2 380.452 0.739 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3n[nH]c(C)c3c1)C2 ZINC001110103289 1205661398 /nfs/dbraw/zinc/66/13/98/1205661398.db2.gz MTZRARJLOTYHHS-YVVXQTMVSA-N 1 2 380.452 0.739 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000747796053 1205666094 /nfs/dbraw/zinc/66/60/94/1205666094.db2.gz LJKYILQXIPKYEZ-UHFFFAOYSA-N 1 2 382.420 0.396 20 30 GCEDLO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC001170776063 1205697437 /nfs/dbraw/zinc/69/74/37/1205697437.db2.gz JWENOTPXUVIYFM-INIZCTEOSA-N 1 2 379.482 0.434 20 30 GCEDLO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC001170776063 1205697438 /nfs/dbraw/zinc/69/74/38/1205697438.db2.gz JWENOTPXUVIYFM-INIZCTEOSA-N 1 2 379.482 0.434 20 30 GCEDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431030 1205720921 /nfs/dbraw/zinc/72/09/21/1205720921.db2.gz AOJGJXMJVDTWFX-GOSISDBHSA-N 1 2 398.463 0.916 20 30 GCEDLO CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431030 1205720922 /nfs/dbraw/zinc/72/09/22/1205720922.db2.gz AOJGJXMJVDTWFX-GOSISDBHSA-N 1 2 398.463 0.916 20 30 GCEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000773389495 1205731631 /nfs/dbraw/zinc/73/16/31/1205731631.db2.gz RXVRJJJQKUBEDW-OAHLLOKOSA-N 1 2 387.436 0.733 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NCC=C ZINC001110183418 1205736251 /nfs/dbraw/zinc/73/62/51/1205736251.db2.gz UCPQDKVJKDQOQH-WCVJEAGWSA-N 1 2 378.473 0.701 20 30 GCEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NCC=C ZINC001110183418 1205736253 /nfs/dbraw/zinc/73/62/53/1205736253.db2.gz UCPQDKVJKDQOQH-WCVJEAGWSA-N 1 2 378.473 0.701 20 30 GCEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C(=O)Nc3ccccc31)C2 ZINC001110190778 1205742376 /nfs/dbraw/zinc/74/23/76/1205742376.db2.gz OYXCXSLOJCHPLQ-QCPWZWHMSA-N 1 2 381.436 0.474 20 30 GCEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C(=O)Nc3ccccc31)C2 ZINC001110190778 1205742378 /nfs/dbraw/zinc/74/23/78/1205742378.db2.gz OYXCXSLOJCHPLQ-QCPWZWHMSA-N 1 2 381.436 0.474 20 30 GCEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001176524856 1205748838 /nfs/dbraw/zinc/74/88/38/1205748838.db2.gz VTMBCCSGVLVRDC-CAOKTKFFSA-N 1 2 378.517 0.685 20 30 GCEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2CCOC[C@]2(CO)C1 ZINC001176524856 1205748840 /nfs/dbraw/zinc/74/88/40/1205748840.db2.gz VTMBCCSGVLVRDC-CAOKTKFFSA-N 1 2 378.517 0.685 20 30 GCEDLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001177079269 1205761043 /nfs/dbraw/zinc/76/10/43/1205761043.db2.gz SIFHBHVJAGQNLP-JTQLQIEISA-N 1 2 397.399 0.600 20 30 GCEDLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc(C#N)c(C#N)nc1N ZINC001177079269 1205761046 /nfs/dbraw/zinc/76/10/46/1205761046.db2.gz SIFHBHVJAGQNLP-JTQLQIEISA-N 1 2 397.399 0.600 20 30 GCEDLO CC(=O)NC1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CC1 ZINC001110204014 1205766622 /nfs/dbraw/zinc/76/66/22/1205766622.db2.gz YSCDDVSPQHDCPQ-JWRYVHENSA-N 1 2 375.473 0.043 20 30 GCEDLO CC(=O)NC1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CC1 ZINC001110204014 1205766624 /nfs/dbraw/zinc/76/66/24/1205766624.db2.gz YSCDDVSPQHDCPQ-JWRYVHENSA-N 1 2 375.473 0.043 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CCCO1 ZINC000773799195 1205801879 /nfs/dbraw/zinc/80/18/79/1205801879.db2.gz RPKAPBFNTWDKTF-RBUKOAKNSA-N 1 2 384.480 0.670 20 30 GCEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001179590472 1205812159 /nfs/dbraw/zinc/81/21/59/1205812159.db2.gz WMBABCFTDBGJLZ-KBPBESRZSA-N 1 2 378.429 0.537 20 30 GCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302608 1205869859 /nfs/dbraw/zinc/86/98/59/1205869859.db2.gz LKCHWCNLYSYCEM-DGAVXFQQSA-N 1 2 381.502 0.587 20 30 GCEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSCC#N)C2 ZINC001110302608 1205869861 /nfs/dbraw/zinc/86/98/61/1205869861.db2.gz LKCHWCNLYSYCEM-DGAVXFQQSA-N 1 2 381.502 0.587 20 30 GCEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c1)C2)NCC#Cc1ccccc1 ZINC001110312122 1205873881 /nfs/dbraw/zinc/87/38/81/1205873881.db2.gz GYUDHNAWKVYAON-QRVBRYPASA-N 1 2 377.448 0.913 20 30 GCEDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c1)C2)NCC#Cc1ccccc1 ZINC001110312122 1205873885 /nfs/dbraw/zinc/87/38/85/1205873885.db2.gz GYUDHNAWKVYAON-QRVBRYPASA-N 1 2 377.448 0.913 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnsn1)C2 ZINC001110325093 1205883039 /nfs/dbraw/zinc/88/30/39/1205883039.db2.gz SSRMPKDMHWBBND-WGBDABJCSA-N 1 2 378.458 0.274 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnsn1)C2 ZINC001110325093 1205883040 /nfs/dbraw/zinc/88/30/40/1205883040.db2.gz SSRMPKDMHWBBND-WGBDABJCSA-N 1 2 378.458 0.274 20 30 GCEDLO COc1cc(C[N@@H+]2CC[C@H](Nc3[nH]c(=O)n(C)c(=O)c3C#N)C2)cc(OC)c1 ZINC001185707434 1205928738 /nfs/dbraw/zinc/92/87/38/1205928738.db2.gz BDELIFHMGJTTRD-ZDUSSCGKSA-N 1 2 385.424 0.649 20 30 GCEDLO COc1cc(C[N@H+]2CC[C@H](Nc3[nH]c(=O)n(C)c(=O)c3C#N)C2)cc(OC)c1 ZINC001185707434 1205928739 /nfs/dbraw/zinc/92/87/39/1205928739.db2.gz BDELIFHMGJTTRD-ZDUSSCGKSA-N 1 2 385.424 0.649 20 30 GCEDLO COCCOc1cc(C#N)c(NC(=O)C[N@@H+]2CC[C@H](O)C2)cc1OCCOC ZINC001186049211 1205934200 /nfs/dbraw/zinc/93/42/00/1205934200.db2.gz RANZGTVVUMBQJH-HNNXBMFYSA-N 1 2 393.440 0.614 20 30 GCEDLO COCCOc1cc(C#N)c(NC(=O)C[N@H+]2CC[C@H](O)C2)cc1OCCOC ZINC001186049211 1205934201 /nfs/dbraw/zinc/93/42/01/1205934201.db2.gz RANZGTVVUMBQJH-HNNXBMFYSA-N 1 2 393.440 0.614 20 30 GCEDLO C=CC[NH+]1CCN(C(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)CC1 ZINC001186610667 1205942949 /nfs/dbraw/zinc/94/29/49/1205942949.db2.gz DBVUSELPAJDRHN-HOTGVXAUSA-N 1 2 384.546 0.325 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCCC ZINC001110424398 1206029455 /nfs/dbraw/zinc/02/94/55/1206029455.db2.gz ONXQVIHZTYDQOQ-OAGGEKHMSA-N 1 2 380.489 0.927 20 30 GCEDLO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCCC ZINC001110424398 1206029457 /nfs/dbraw/zinc/02/94/57/1206029457.db2.gz ONXQVIHZTYDQOQ-OAGGEKHMSA-N 1 2 380.489 0.927 20 30 GCEDLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)ncc1C#N ZINC001164708662 719902941 /nfs/dbraw/zinc/90/29/41/719902941.db2.gz FSEINHVEJNOBRA-UHFFFAOYSA-N 1 2 379.468 0.946 20 30 GCEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(CC#N)n1)CC2 ZINC001164708217 719918938 /nfs/dbraw/zinc/91/89/38/719918938.db2.gz FLIOIJLNZHOJRG-UHFFFAOYSA-N 1 2 380.456 0.226 20 30 GCEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3C#N)C2)C1 ZINC001164720598 720239786 /nfs/dbraw/zinc/23/97/86/720239786.db2.gz YTQWKDCTWJJSBR-SFHVURJKSA-N 1 2 388.428 0.526 20 30 GCEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3C#N)C2)C1 ZINC001164720598 720239797 /nfs/dbraw/zinc/23/97/97/720239797.db2.gz YTQWKDCTWJJSBR-SFHVURJKSA-N 1 2 388.428 0.526 20 30 GCEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccnc1C#N)C2 ZINC001164822483 720429917 /nfs/dbraw/zinc/42/99/17/720429917.db2.gz CHLJJTWAZPWNER-HNNXBMFYSA-N 1 2 383.456 0.534 20 30 GCEDLO Cc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cnc1C#N ZINC001164833053 720467150 /nfs/dbraw/zinc/46/71/50/720467150.db2.gz XMHBTAZXVCRGSJ-INIZCTEOSA-N 1 2 397.483 0.843 20 30 GCEDLO C#CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC[NH+](Cc2ncccn2)CC1 ZINC001573282558 946692737 /nfs/dbraw/zinc/69/27/37/946692737.db2.gz KIUSQVWOIKWFSH-UHFFFAOYSA-N 1 2 391.439 0.725 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001573286172 946797809 /nfs/dbraw/zinc/79/78/09/946797809.db2.gz VORCWHCDIBYGTG-DOMZBBRYSA-N 1 2 383.460 0.369 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNc1nc(C)cc(-c2nn[nH]n2)n1 ZINC001573286172 946797811 /nfs/dbraw/zinc/79/78/11/946797811.db2.gz VORCWHCDIBYGTG-DOMZBBRYSA-N 1 2 383.460 0.369 20 30 GCEDLO C#CCO[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573286979 946822589 /nfs/dbraw/zinc/82/25/89/946822589.db2.gz JPUXFOJIUAPTSV-ZBFHGGJFSA-N 1 2 384.440 0.222 20 30 GCEDLO C#CCO[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573286979 946822599 /nfs/dbraw/zinc/82/25/99/946822599.db2.gz JPUXFOJIUAPTSV-ZBFHGGJFSA-N 1 2 384.440 0.222 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)cn1 ZINC001573290227 946900898 /nfs/dbraw/zinc/90/08/98/946900898.db2.gz HFJQITXBBSCAIB-HUUCEWRRSA-N 1 2 395.448 0.280 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)cn1 ZINC001573290227 946900904 /nfs/dbraw/zinc/90/09/04/946900904.db2.gz HFJQITXBBSCAIB-HUUCEWRRSA-N 1 2 395.448 0.280 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573294079 946977162 /nfs/dbraw/zinc/97/71/62/946977162.db2.gz SWMLZHSNHZVKKF-CYBMUJFWSA-N 1 2 386.460 0.424 20 30 GCEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573294079 946977173 /nfs/dbraw/zinc/97/71/73/946977173.db2.gz SWMLZHSNHZVKKF-CYBMUJFWSA-N 1 2 386.460 0.424 20 30 GCEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C2)CC1 ZINC001573570776 947094661 /nfs/dbraw/zinc/09/46/61/947094661.db2.gz TXGSOARYLFGWJH-DZGCQCFKSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001573571063 947099471 /nfs/dbraw/zinc/09/94/71/947099471.db2.gz YDZRZZRIJQBBDS-KGLIPLIRSA-N 1 2 381.444 0.144 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573573105 947119215 /nfs/dbraw/zinc/11/92/15/947119215.db2.gz MPHVXUBQRTVTIT-KZULUSFZSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573573105 947119220 /nfs/dbraw/zinc/11/92/20/947119220.db2.gz MPHVXUBQRTVTIT-KZULUSFZSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573574661 947132223 /nfs/dbraw/zinc/13/22/23/947132223.db2.gz SJVYJZPRMCHXFB-SGTLLEGYSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@@H](C#N)C(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573574661 947132227 /nfs/dbraw/zinc/13/22/27/947132227.db2.gz SJVYJZPRMCHXFB-SGTLLEGYSA-N 1 2 387.419 0.609 20 30 GCEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC2(C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C2)O1 ZINC001573577141 947161365 /nfs/dbraw/zinc/16/13/65/947161365.db2.gz MQEZXLWILPOWJB-XJKSGUPXSA-N 1 2 381.440 0.876 20 30 GCEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C#N ZINC000826344671 948011601 /nfs/dbraw/zinc/01/16/01/948011601.db2.gz OFJUHMZNEMPGSF-UHFFFAOYSA-N 1 2 392.423 0.922 20 30 GCEDLO CC(C)[NH+]1CCN(C2CCN(c3cnc(-c4nn[nH]n4)c(C#N)n3)CC2)CC1 ZINC001571218415 953115067 /nfs/dbraw/zinc/11/50/67/953115067.db2.gz MWTMBIUUVGLZAC-UHFFFAOYSA-N 1 2 382.476 0.523 20 30 GCEDLO CC(C)N1CC[NH+](C2CCN(c3cnc(-c4nn[nH]n4)c(C#N)n3)CC2)CC1 ZINC001571218415 953115068 /nfs/dbraw/zinc/11/50/68/953115068.db2.gz MWTMBIUUVGLZAC-UHFFFAOYSA-N 1 2 382.476 0.523 20 30 GCEDLO C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)CC2)CC1 ZINC001598586778 993395041 /nfs/dbraw/zinc/39/50/41/993395041.db2.gz WGGCAQDVMVAWSM-UHFFFAOYSA-N 1 2 377.489 0.945 20 30 GCEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000298676049 530173746 /nfs/dbraw/zinc/17/37/46/530173746.db2.gz MGKONYZYBLYRGR-UHFFFAOYSA-N 1 2 385.873 0.864 20 30 GCEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000298676049 530173748 /nfs/dbraw/zinc/17/37/48/530173748.db2.gz MGKONYZYBLYRGR-UHFFFAOYSA-N 1 2 385.873 0.864 20 30 GCEDLO CN(CCCNC(=O)CO[NH+]=C(N)Cc1ccccc1Cl)S(C)(=O)=O ZINC000268620044 530230245 /nfs/dbraw/zinc/23/02/45/530230245.db2.gz KBHALUHXUBVORU-UHFFFAOYSA-N 1 2 390.893 0.569 20 30 GCEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000287876117 530258048 /nfs/dbraw/zinc/25/80/48/530258048.db2.gz SNYHDLLQRDALIY-UHFFFAOYSA-N 1 2 387.303 0.727 20 30 GCEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C(C)(C)C1 ZINC000574926540 530328222 /nfs/dbraw/zinc/32/82/22/530328222.db2.gz GDPVUTOXYROIGL-UHFFFAOYSA-N 1 2 386.499 0.203 20 30 GCEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C(C)(C)C1 ZINC000574926540 530328225 /nfs/dbraw/zinc/32/82/25/530328225.db2.gz GDPVUTOXYROIGL-UHFFFAOYSA-N 1 2 386.499 0.203 20 30 GCEDLO N#Cc1cc(F)c(N2CC[NH+](CCS(N)(=O)=O)CC2)cc1Br ZINC000564352024 530350840 /nfs/dbraw/zinc/35/08/40/530350840.db2.gz WWZKZQFGTSJBHZ-UHFFFAOYSA-N 1 2 391.266 0.870 20 30 GCEDLO C[NH+](C)Cc1csc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000580287726 530351121 /nfs/dbraw/zinc/35/11/21/530351121.db2.gz LLGFHEMHALJCAX-UHFFFAOYSA-N 1 2 379.467 0.993 20 30 GCEDLO C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000518796144 530494867 /nfs/dbraw/zinc/49/48/67/530494867.db2.gz TZRBIQCYFKIDFP-ZDUSSCGKSA-N 1 2 386.499 0.203 20 30 GCEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330379793 530519432 /nfs/dbraw/zinc/51/94/32/530519432.db2.gz UAFNMGLXGZGYGV-CABCVRRESA-N 1 2 376.548 0.510 20 30 GCEDLO CCS(=O)(=O)NC1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000330643768 530522312 /nfs/dbraw/zinc/52/23/12/530522312.db2.gz SFMSFZZWRGLFEA-KGLIPLIRSA-N 1 2 376.523 0.413 20 30 GCEDLO CCN(C1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000330683044 530523565 /nfs/dbraw/zinc/52/35/65/530523565.db2.gz IGSYZUCDLMRSNI-AWEZNQCLSA-N 1 2 376.523 0.367 20 30 GCEDLO CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1 ZINC000568252555 530555627 /nfs/dbraw/zinc/55/56/27/530555627.db2.gz XATYJVMKKIAWMM-UHFFFAOYSA-N 1 2 383.455 0.006 20 30 GCEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1=O ZINC000267629856 530589958 /nfs/dbraw/zinc/58/99/58/530589958.db2.gz SBYUPCFIGXVJJT-WCQYABFASA-N 1 2 383.499 0.230 20 30 GCEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)C1=O ZINC000267629856 530589961 /nfs/dbraw/zinc/58/99/61/530589961.db2.gz SBYUPCFIGXVJJT-WCQYABFASA-N 1 2 383.499 0.230 20 30 GCEDLO C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)c2[nH+]ccn21 ZINC000580570539 530614962 /nfs/dbraw/zinc/61/49/62/530614962.db2.gz BYTNYYSOHYQEHC-NWDGAFQWSA-N 1 2 389.503 0.420 20 30 GCEDLO CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000349458034 530638414 /nfs/dbraw/zinc/63/84/14/530638414.db2.gz TVVWVTKNTFCPGU-UHFFFAOYSA-N 1 2 386.499 0.728 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000349466892 530642785 /nfs/dbraw/zinc/64/27/85/530642785.db2.gz RGSLRIUKRPDAGC-RRFJBIMHSA-N 1 2 394.563 0.198 20 30 GCEDLO CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000349466892 530642787 /nfs/dbraw/zinc/64/27/87/530642787.db2.gz RGSLRIUKRPDAGC-RRFJBIMHSA-N 1 2 394.563 0.198 20 30 GCEDLO C=CCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480927522 530774022 /nfs/dbraw/zinc/77/40/22/530774022.db2.gz NKIQUZXYVIRZSP-UHFFFAOYSA-N 1 2 388.515 0.029 20 30 GCEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C#N)CC2)CC1 ZINC000301292149 530815445 /nfs/dbraw/zinc/81/54/45/530815445.db2.gz VEMZBDCNBSZVDG-UHFFFAOYSA-N 1 2 383.905 0.826 20 30 GCEDLO CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000349445497 530872553 /nfs/dbraw/zinc/87/25/53/530872553.db2.gz GALZKEPMMKHCPH-CQSZACIVSA-N 1 2 386.499 0.728 20 30 GCEDLO CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000349505618 530884943 /nfs/dbraw/zinc/88/49/43/530884943.db2.gz JINUNAWRBUWKEY-ZNMIVQPWSA-N 1 2 394.563 0.294 20 30 GCEDLO CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000349505618 530884946 /nfs/dbraw/zinc/88/49/46/530884946.db2.gz JINUNAWRBUWKEY-ZNMIVQPWSA-N 1 2 394.563 0.294 20 30 GCEDLO C=C(C)CS(=O)(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000276581679 531008927 /nfs/dbraw/zinc/00/89/27/531008927.db2.gz OQTCSCGQYBBBOJ-UHFFFAOYSA-N 1 2 387.527 0.618 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2[nH]nc(CC)c2Br)CC1 ZINC000279236110 531009700 /nfs/dbraw/zinc/00/97/00/531009700.db2.gz NMHGOYYENCSUPJ-UHFFFAOYSA-N 1 2 396.289 0.632 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2[nH]nc(CC)c2Br)CC1 ZINC000279236110 531009703 /nfs/dbraw/zinc/00/97/03/531009703.db2.gz NMHGOYYENCSUPJ-UHFFFAOYSA-N 1 2 396.289 0.632 20 30 GCEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC000737675742 598582034 /nfs/dbraw/zinc/58/20/34/598582034.db2.gz RGXYUTBHMYYTRX-UHFFFAOYSA-N 1 2 381.440 0.831 20 30 GCEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819734357 606744744 /nfs/dbraw/zinc/74/47/44/606744744.db2.gz NAMHHKQTWCZOHU-OAHLLOKOSA-N 1 2 392.485 0.500 20 30 GCEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000819740456 606776782 /nfs/dbraw/zinc/77/67/82/606776782.db2.gz ZWXDXPXNMUHNLE-CQSZACIVSA-N 1 2 383.460 0.368 20 30 GCEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000819740456 606776784 /nfs/dbraw/zinc/77/67/84/606776784.db2.gz ZWXDXPXNMUHNLE-CQSZACIVSA-N 1 2 383.460 0.368 20 30 GCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000821169723 606783105 /nfs/dbraw/zinc/78/31/05/606783105.db2.gz BYUULMPCMHTDLN-ZIAGYGMSSA-N 1 2 398.475 0.175 20 30 GCEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000821169723 606783107 /nfs/dbraw/zinc/78/31/07/606783107.db2.gz BYUULMPCMHTDLN-ZIAGYGMSSA-N 1 2 398.475 0.175 20 30 GCEDLO C#CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1)C1CCCC1 ZINC000819698148 606784390 /nfs/dbraw/zinc/78/43/90/606784390.db2.gz SPCXVEWZRQCXHU-UHFFFAOYSA-N 1 2 398.471 0.690 20 30 GCEDLO C#CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1)C1CCCC1 ZINC000819698148 606784391 /nfs/dbraw/zinc/78/43/91/606784391.db2.gz SPCXVEWZRQCXHU-UHFFFAOYSA-N 1 2 398.471 0.690 20 30 GCEDLO N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000826382890 609176520 /nfs/dbraw/zinc/17/65/20/609176520.db2.gz ZHXUKYKCSLFDKK-UHFFFAOYSA-N 1 2 399.444 0.208 20 30 GCEDLO N#CC1(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000826380115 609399430 /nfs/dbraw/zinc/39/94/30/609399430.db2.gz NQEQMZQVNILEOD-UHFFFAOYSA-N 1 2 392.427 0.133 20 30 GCEDLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913517873 639581576 /nfs/dbraw/zinc/58/15/76/639581576.db2.gz SZPKBQWSSGFYJF-UHFFFAOYSA-N 1 2 381.483 0.577 20 30 GCEDLO CCOC(=O)CO/N=C(/C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1)c1cc[nH]n1 ZINC000278876405 1192319599 /nfs/dbraw/zinc/31/95/99/1192319599.db2.gz YDDQAQZVTCKVEZ-OHXNRXLASA-N 1 2 383.474 0.198 20 30 GCEDLO N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000585683049 1192365778 /nfs/dbraw/zinc/36/57/78/1192365778.db2.gz NRNDHQSFOUGYCN-UHFFFAOYSA-N 1 2 397.439 0.475 20 30 GCEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000609485222 1192378574 /nfs/dbraw/zinc/37/85/74/1192378574.db2.gz LIDGEXCYPCPGRE-ZWKOTPCHSA-N 1 2 385.516 0.679 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000279263095 1192497182 /nfs/dbraw/zinc/49/71/82/1192497182.db2.gz IONBMLPTFYJHGB-UHFFFAOYSA-N 1 2 393.509 0.781 20 30 GCEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000279263095 1192497183 /nfs/dbraw/zinc/49/71/83/1192497183.db2.gz IONBMLPTFYJHGB-UHFFFAOYSA-N 1 2 393.509 0.781 20 30 GCEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000279287323 1192500523 /nfs/dbraw/zinc/50/05/23/1192500523.db2.gz LECVDNHTGAUMBV-CABCVRRESA-N 1 2 394.497 0.404 20 30 GCEDLO C=CCN1CC[C@H](N(C)c2cc[nH+]c(N(C)[C@H]3CCN(CC=C)C3=O)n2)C1=O ZINC000893668772 1192510352 /nfs/dbraw/zinc/51/03/52/1192510352.db2.gz OXUPKGFWBJDBGA-HOTGVXAUSA-N 1 2 384.484 0.923 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H](C)CCC)C2)CC1 ZINC000112904723 1192716589 /nfs/dbraw/zinc/71/65/89/1192716589.db2.gz QVDYSTNQMFZHQF-IAGOWNOFSA-N 1 2 376.501 0.307 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H](C)CCC)C2)CC1 ZINC000112904723 1192716593 /nfs/dbraw/zinc/71/65/93/1192716593.db2.gz QVDYSTNQMFZHQF-IAGOWNOFSA-N 1 2 376.501 0.307 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@H](C)CCC)C2)CC1 ZINC000112904727 1192716676 /nfs/dbraw/zinc/71/66/76/1192716676.db2.gz QVDYSTNQMFZHQF-SJORKVTESA-N 1 2 376.501 0.307 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@H](C)CCC)C2)CC1 ZINC000112904727 1192716677 /nfs/dbraw/zinc/71/66/77/1192716677.db2.gz QVDYSTNQMFZHQF-SJORKVTESA-N 1 2 376.501 0.307 20 30 GCEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CCN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001745700731 1192718726 /nfs/dbraw/zinc/71/87/26/1192718726.db2.gz NMFFZFLRDJBEDT-PDOICOKGSA-N 1 2 379.501 0.484 20 30 GCEDLO C#CCSCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000888944042 1192783213 /nfs/dbraw/zinc/78/32/13/1192783213.db2.gz QFCVDWRXAQBWIA-OAHLLOKOSA-N 1 2 375.498 0.765 20 30 GCEDLO C#CCSCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000888944042 1192783221 /nfs/dbraw/zinc/78/32/21/1192783221.db2.gz QFCVDWRXAQBWIA-OAHLLOKOSA-N 1 2 375.498 0.765 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]2O)cc1 ZINC000969478311 1184324513 /nfs/dbraw/zinc/32/45/13/1184324513.db2.gz YKVAHCWRUGRJKW-MTNOOBJLSA-N 1 2 378.432 0.507 20 30 GCEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083194497 1184516161 /nfs/dbraw/zinc/51/61/61/1184516161.db2.gz RDAWMMAARCVHBZ-LTIDMASMSA-N 1 2 388.493 0.756 20 30 GCEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001083194497 1184516168 /nfs/dbraw/zinc/51/61/68/1184516168.db2.gz RDAWMMAARCVHBZ-LTIDMASMSA-N 1 2 388.493 0.756 20 30 GCEDLO COc1ccc(CN2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1OCCCC#N ZINC000275489740 1184688342 /nfs/dbraw/zinc/68/83/42/1184688342.db2.gz BLQJWIXJHIHUAY-QGZVFWFLSA-N 1 2 390.484 0.996 20 30 GCEDLO COc1ccc(CN2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1OCCCC#N ZINC000275489740 1184688347 /nfs/dbraw/zinc/68/83/47/1184688347.db2.gz BLQJWIXJHIHUAY-QGZVFWFLSA-N 1 2 390.484 0.996 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001111488497 1185223891 /nfs/dbraw/zinc/22/38/91/1185223891.db2.gz LXWUKNABMYCTOS-JJXSEGSLSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001111488497 1185223892 /nfs/dbraw/zinc/22/38/92/1185223892.db2.gz LXWUKNABMYCTOS-JJXSEGSLSA-N 1 2 380.489 0.781 20 30 GCEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000580745975 1185332120 /nfs/dbraw/zinc/33/21/20/1185332120.db2.gz DCOIOTMVPSSLLG-GDBMZVCRSA-N 1 2 392.481 0.158 20 30 GCEDLO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275977340 1185354260 /nfs/dbraw/zinc/35/42/60/1185354260.db2.gz JPPMOGVUETUFQL-UHFFFAOYSA-N 1 2 390.488 0.942 20 30 GCEDLO Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001707891843 1185497263 /nfs/dbraw/zinc/49/72/63/1185497263.db2.gz DGXOZQSSLMYJFP-CYBMUJFWSA-N 1 2 383.456 0.842 20 30 GCEDLO CCCNC(=O)C[N@H+](CCC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000126695933 1185807601 /nfs/dbraw/zinc/80/76/01/1185807601.db2.gz JYAGKZNZVDYQGE-UHFFFAOYSA-N 1 2 390.488 0.742 20 30 GCEDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000126695933 1185807606 /nfs/dbraw/zinc/80/76/06/1185807606.db2.gz JYAGKZNZVDYQGE-UHFFFAOYSA-N 1 2 390.488 0.742 20 30 GCEDLO CCOC(=O)CO/N=C(/C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc[nH]n1 ZINC000276644133 1185933737 /nfs/dbraw/zinc/93/37/37/1185933737.db2.gz VLUREDNIBIWJMC-MIIVRJSTSA-N 1 2 386.412 0.484 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)C1 ZINC000891607717 1185937922 /nfs/dbraw/zinc/93/79/22/1185937922.db2.gz QPKZCBPFUMPWII-YOEHRIQHSA-N 1 2 386.452 0.812 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)C1 ZINC000891607717 1185937926 /nfs/dbraw/zinc/93/79/26/1185937926.db2.gz QPKZCBPFUMPWII-YOEHRIQHSA-N 1 2 386.452 0.812 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000891607540 1185938269 /nfs/dbraw/zinc/93/82/69/1185938269.db2.gz UBFXQZFAADETOX-CYBMUJFWSA-N 1 2 375.425 0.865 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000891607540 1185938270 /nfs/dbraw/zinc/93/82/70/1185938270.db2.gz UBFXQZFAADETOX-CYBMUJFWSA-N 1 2 375.425 0.865 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)C1 ZINC000891607633 1185938390 /nfs/dbraw/zinc/93/83/90/1185938390.db2.gz OYBHTNBHYOBPGA-KRWDZBQOSA-N 1 2 384.436 0.791 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)C1 ZINC000891607633 1185938393 /nfs/dbraw/zinc/93/83/93/1185938393.db2.gz OYBHTNBHYOBPGA-KRWDZBQOSA-N 1 2 384.436 0.791 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)C1 ZINC000891605404 1185939132 /nfs/dbraw/zinc/93/91/32/1185939132.db2.gz FENLABPBCGUXAU-INIZCTEOSA-N 1 2 396.447 0.801 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)C1 ZINC000891605404 1185939133 /nfs/dbraw/zinc/93/91/33/1185939133.db2.gz FENLABPBCGUXAU-INIZCTEOSA-N 1 2 396.447 0.801 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 ZINC000891607723 1185939242 /nfs/dbraw/zinc/93/92/42/1185939242.db2.gz QSCJMGGNLANHIZ-ZWKOTPCHSA-N 1 2 398.463 0.956 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 ZINC000891607723 1185939244 /nfs/dbraw/zinc/93/92/44/1185939244.db2.gz QSCJMGGNLANHIZ-ZWKOTPCHSA-N 1 2 398.463 0.956 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000891605611 1185939262 /nfs/dbraw/zinc/93/92/62/1185939262.db2.gz HLTOEDBSLYZKGH-HNNXBMFYSA-N 1 2 377.466 0.633 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000891605611 1185939265 /nfs/dbraw/zinc/93/92/65/1185939265.db2.gz HLTOEDBSLYZKGH-HNNXBMFYSA-N 1 2 377.466 0.633 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000891606603 1185940304 /nfs/dbraw/zinc/94/03/04/1185940304.db2.gz NNLSDSNJDRZEJX-MRXNPFEDSA-N 1 2 377.466 0.384 20 30 GCEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000891606603 1185940308 /nfs/dbraw/zinc/94/03/08/1185940308.db2.gz NNLSDSNJDRZEJX-MRXNPFEDSA-N 1 2 377.466 0.384 20 30 GCEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000891608385 1185942148 /nfs/dbraw/zinc/94/21/48/1185942148.db2.gz VVOLOEJRKISNIA-INIZCTEOSA-N 1 2 386.452 0.306 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000891608385 1185942150 /nfs/dbraw/zinc/94/21/50/1185942150.db2.gz VVOLOEJRKISNIA-INIZCTEOSA-N 1 2 386.452 0.306 20 30 GCEDLO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000472154599 1186401166 /nfs/dbraw/zinc/40/11/66/1186401166.db2.gz KGSBRXNEGZMCMI-HLLBOEOZSA-N 1 2 376.505 0.192 20 30 GCEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000551397947 1186415316 /nfs/dbraw/zinc/41/53/16/1186415316.db2.gz YBITWZKWOQWWML-AWEZNQCLSA-N 1 2 384.415 0.747 20 30 GCEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)nn1 ZINC000657353931 1186434293 /nfs/dbraw/zinc/43/42/93/1186434293.db2.gz XEZBQNXBLGBXPI-ZDUSSCGKSA-N 1 2 392.485 0.879 20 30 GCEDLO C=CCCn1cc(C[NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)nn1 ZINC000657353929 1186434650 /nfs/dbraw/zinc/43/46/50/1186434650.db2.gz XEZBQNXBLGBXPI-CYBMUJFWSA-N 1 2 392.485 0.879 20 30 GCEDLO CCOC(=O)CON=C(C(=O)NCCCCn1cc[nH+]c1C)c1ccn[nH]1 ZINC000277948786 1186717249 /nfs/dbraw/zinc/71/72/49/1186717249.db2.gz JNALXMBNXBWKGB-CJLVFECKSA-N 1 2 376.417 0.795 20 30 GCEDLO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000162229924 1186746772 /nfs/dbraw/zinc/74/67/72/1186746772.db2.gz JXLRCRFPZGYAFA-SFHVURJKSA-N 1 2 390.509 0.570 20 30 GCEDLO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000162229924 1186746774 /nfs/dbraw/zinc/74/67/74/1186746774.db2.gz JXLRCRFPZGYAFA-SFHVURJKSA-N 1 2 390.509 0.570 20 30 GCEDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000583203186 1186794694 /nfs/dbraw/zinc/79/46/94/1186794694.db2.gz UOMMDZKOVZTPSG-HNNXBMFYSA-N 1 2 393.451 0.614 20 30 GCEDLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 ZINC001708263395 1186828341 /nfs/dbraw/zinc/82/83/41/1186828341.db2.gz VDHVEYPUNMMTKV-BRWVUGGUSA-N 1 2 390.488 0.622 20 30 GCEDLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 ZINC001708263395 1186828343 /nfs/dbraw/zinc/82/83/43/1186828343.db2.gz VDHVEYPUNMMTKV-BRWVUGGUSA-N 1 2 390.488 0.622 20 30 GCEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCCc3cc(OC)ccc3C2)c1=O ZINC000728563526 1186842983 /nfs/dbraw/zinc/84/29/83/1186842983.db2.gz JXXPZAMTMYSMPL-UHFFFAOYSA-N 1 2 398.463 0.958 20 30 GCEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCCc3cc(OC)ccc3C2)c1=O ZINC000728563526 1186842988 /nfs/dbraw/zinc/84/29/88/1186842988.db2.gz JXXPZAMTMYSMPL-UHFFFAOYSA-N 1 2 398.463 0.958 20 30 GCEDLO N#Cc1cccc2c1CCN2C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000583498709 1186871022 /nfs/dbraw/zinc/87/10/22/1186871022.db2.gz LYRJFVUSHOMLAH-UHFFFAOYSA-N 1 2 394.435 0.615 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583915592 1186961799 /nfs/dbraw/zinc/96/17/99/1186961799.db2.gz WVHWSMSUQPUTRE-CWRNSKLLSA-N 1 2 392.481 0.204 20 30 GCEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583915592 1186961800 /nfs/dbraw/zinc/96/18/00/1186961800.db2.gz WVHWSMSUQPUTRE-CWRNSKLLSA-N 1 2 392.481 0.204 20 30 GCEDLO CCOC(=O)CON=C(C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccn[nH]1 ZINC000278661927 1187010565 /nfs/dbraw/zinc/01/05/65/1187010565.db2.gz OBWBPSLNIXMCJB-HLOYVEQYSA-N 1 2 388.428 1.000 20 30 GCEDLO N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000584337192 1187034884 /nfs/dbraw/zinc/03/48/84/1187034884.db2.gz ZWWDUXKCQLFCOG-KRWDZBQOSA-N 1 2 393.451 0.490 20 30 GCEDLO N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000584337193 1187035278 /nfs/dbraw/zinc/03/52/78/1187035278.db2.gz ZWWDUXKCQLFCOG-QGZVFWFLSA-N 1 2 393.451 0.490 20 30 GCEDLO N#C[C@@H]1CN(C(=O)C(=O)NCCCn2cc[nH+]c2)CCN1Cc1ccccc1 ZINC000584458229 1187076743 /nfs/dbraw/zinc/07/67/43/1187076743.db2.gz ZCBZGMRNADBOQE-GOSISDBHSA-N 1 2 380.452 0.626 20 30 GCEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1O ZINC001023915908 1187168889 /nfs/dbraw/zinc/16/88/89/1187168889.db2.gz JFRCWPYHCBTLJV-LHHMISFZSA-N 1 2 376.457 0.022 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1O ZINC001023962144 1187195462 /nfs/dbraw/zinc/19/54/62/1187195462.db2.gz PSHCSCOEDRKLJL-PILAGYSTSA-N 1 2 384.436 0.846 20 30 GCEDLO CO[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CCS(=O)(=O)C1 ZINC000892417080 1187221205 /nfs/dbraw/zinc/22/12/05/1187221205.db2.gz GPDGWSYGHSCTKY-IBGZPJMESA-N 1 2 391.493 0.843 20 30 GCEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024492070 1187416743 /nfs/dbraw/zinc/41/67/43/1187416743.db2.gz BLLRGVCFCYYKEU-PILAGYSTSA-N 1 2 384.436 0.846 20 30 GCEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)n1 ZINC000375931998 1187495930 /nfs/dbraw/zinc/49/59/30/1187495930.db2.gz KOJZYQZRMARLNS-UHFFFAOYSA-N 1 2 387.444 0.817 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001024625856 1187549725 /nfs/dbraw/zinc/54/97/25/1187549725.db2.gz BVNBBGKSTBYVRG-MMNPAVHPSA-N 1 2 384.436 0.617 20 30 GCEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413955385 1187609966 /nfs/dbraw/zinc/60/99/66/1187609966.db2.gz KJWQUYUIXQUBTA-AWEZNQCLSA-N 1 2 394.497 0.452 20 30 GCEDLO CN(CC(=O)NC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000413965506 1187618610 /nfs/dbraw/zinc/61/86/10/1187618610.db2.gz HQZNPHGQXYTQSR-UHFFFAOYSA-N 1 2 394.497 0.406 20 30 GCEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000413969989 1187620373 /nfs/dbraw/zinc/62/03/73/1187620373.db2.gz WENVBLBNBLOTRO-UHFFFAOYSA-N 1 2 381.498 0.992 20 30 GCEDLO N#Cc1ncn(CCNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)n1 ZINC000580851003 1187701159 /nfs/dbraw/zinc/70/11/59/1187701159.db2.gz ZQQSJNVHOJKHCO-OAHLLOKOSA-N 1 2 384.444 0.297 20 30 GCEDLO N#Cc1ncn(CCNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)n1 ZINC000580851003 1187701161 /nfs/dbraw/zinc/70/11/61/1187701161.db2.gz ZQQSJNVHOJKHCO-OAHLLOKOSA-N 1 2 384.444 0.297 20 30 GCEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000414104521 1187717188 /nfs/dbraw/zinc/71/71/88/1187717188.db2.gz GAKCEJPJLXRZTH-KUHUBIRLSA-N 1 2 388.424 0.475 20 30 GCEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000414104521 1187717192 /nfs/dbraw/zinc/71/71/92/1187717192.db2.gz GAKCEJPJLXRZTH-KUHUBIRLSA-N 1 2 388.424 0.475 20 30 GCEDLO Cn1c2nc(C(F)(F)F)ccc2c(=O)n(C[C@@H](O)C[N@H+](C)CCC#N)c1=O ZINC000414115595 1187721736 /nfs/dbraw/zinc/72/17/36/1187721736.db2.gz VFMGSBIDZMLCND-JTQLQIEISA-N 1 2 385.346 0.320 20 30 GCEDLO Cn1c2nc(C(F)(F)F)ccc2c(=O)n(C[C@@H](O)C[N@@H+](C)CCC#N)c1=O ZINC000414115595 1187721740 /nfs/dbraw/zinc/72/17/40/1187721740.db2.gz VFMGSBIDZMLCND-JTQLQIEISA-N 1 2 385.346 0.320 20 30 GCEDLO COc1ccc(OC)c(-n2nnnc2SC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414122925 1187726186 /nfs/dbraw/zinc/72/61/86/1187726186.db2.gz BHNLXUYZAMZWKG-LBPRGKRZSA-N 1 2 378.458 0.978 20 30 GCEDLO COc1ccc(OC)c(-n2nnnc2SC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414122925 1187726187 /nfs/dbraw/zinc/72/61/87/1187726187.db2.gz BHNLXUYZAMZWKG-LBPRGKRZSA-N 1 2 378.458 0.978 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(-c3cccc(OC)c3)n[nH]2)CC1 ZINC000163831544 1189398954 /nfs/dbraw/zinc/39/89/54/1189398954.db2.gz KQYWRELXIJDRMN-UHFFFAOYSA-N 1 2 395.463 0.983 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(-c3cccc(OC)c3)n[nH]2)CC1 ZINC000163831544 1189398958 /nfs/dbraw/zinc/39/89/58/1189398958.db2.gz KQYWRELXIJDRMN-UHFFFAOYSA-N 1 2 395.463 0.983 20 30 GCEDLO C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378478500 1189516002 /nfs/dbraw/zinc/51/60/02/1189516002.db2.gz YOHLZFVHUZKQAN-UHFFFAOYSA-N 1 2 379.420 0.959 20 30 GCEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000925602950 1189661010 /nfs/dbraw/zinc/66/10/10/1189661010.db2.gz YGMLFXOVARCVOF-CVEARBPZSA-N 1 2 387.488 0.679 20 30 GCEDLO C#CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)nn1 ZINC001105243835 1189723829 /nfs/dbraw/zinc/72/38/29/1189723829.db2.gz JGNSUJBOSHBFFK-RVKKMQEKSA-N 1 2 382.468 0.103 20 30 GCEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001026625516 1189753943 /nfs/dbraw/zinc/75/39/43/1189753943.db2.gz JOIWANGSBWFUFT-OWYHZJEWSA-N 1 2 389.496 0.243 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2ccc3cc(OC)ccc32)CC1 ZINC000729282107 1193910463 /nfs/dbraw/zinc/91/04/63/1193910463.db2.gz YBVOUWGGRJLLDK-UHFFFAOYSA-N 1 2 382.464 0.934 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2ccc3cc(OC)ccc32)CC1 ZINC000729282107 1193910465 /nfs/dbraw/zinc/91/04/65/1193910465.db2.gz YBVOUWGGRJLLDK-UHFFFAOYSA-N 1 2 382.464 0.934 20 30 GCEDLO CCCCC[N@H+](CC(N)=O)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000183023294 1193969190 /nfs/dbraw/zinc/96/91/90/1193969190.db2.gz FTLKXXLDVUQOKA-UHFFFAOYSA-N 1 2 376.461 0.481 20 30 GCEDLO CCCCC[N@@H+](CC(N)=O)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000183023294 1193969193 /nfs/dbraw/zinc/96/91/93/1193969193.db2.gz FTLKXXLDVUQOKA-UHFFFAOYSA-N 1 2 376.461 0.481 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OCC ZINC000983012975 1194295597 /nfs/dbraw/zinc/29/55/97/1194295597.db2.gz LQYFUKNPIYAOHP-NRSFXHEJSA-N 1 2 390.484 0.913 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1OCC ZINC000983012975 1194295601 /nfs/dbraw/zinc/29/56/01/1194295601.db2.gz LQYFUKNPIYAOHP-NRSFXHEJSA-N 1 2 390.484 0.913 20 30 GCEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367084828 1194366369 /nfs/dbraw/zinc/36/63/69/1194366369.db2.gz NZJUQZBRTNEZSS-KDOFPFPSSA-N 1 2 399.476 0.793 20 30 GCEDLO Cn1c[nH+]c(CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000422313398 1194610923 /nfs/dbraw/zinc/61/09/23/1194610923.db2.gz VCXYPSIFADYJNZ-MRXNPFEDSA-N 1 2 398.442 0.875 20 30 GCEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000422527283 1194662447 /nfs/dbraw/zinc/66/24/47/1194662447.db2.gz LOFYUSMEADPSKY-RTBURBONSA-N 1 2 389.496 0.442 20 30 GCEDLO CN(CC[NH+]1CCOCC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505433450 1194853022 /nfs/dbraw/zinc/85/30/22/1194853022.db2.gz HFYJJUBIIBGPRE-QGZVFWFLSA-N 1 2 399.451 0.554 20 30 GCEDLO C[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)CCS)C[C@H]2c2cn(C)c[nH+]2)C[C@@H](C)O1 ZINC001269883897 1194879625 /nfs/dbraw/zinc/87/96/25/1194879625.db2.gz XFRIIVAGSDPHPQ-KBUPBQIOSA-N 1 2 380.514 0.918 20 30 GCEDLO CN(CC(=O)NCC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000505592678 1194884954 /nfs/dbraw/zinc/88/49/54/1194884954.db2.gz HDQCJNQKVQWMQD-UHFFFAOYSA-N 1 2 394.497 0.406 20 30 GCEDLO CN(CC(=O)NCC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000505592678 1194884956 /nfs/dbraw/zinc/88/49/56/1194884956.db2.gz HDQCJNQKVQWMQD-UHFFFAOYSA-N 1 2 394.497 0.406 20 30 GCEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000516111911 1195024659 /nfs/dbraw/zinc/02/46/59/1195024659.db2.gz KRRPASUEOXYXFT-QGZVFWFLSA-N 1 2 390.509 0.968 20 30 GCEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000516111911 1195024663 /nfs/dbraw/zinc/02/46/63/1195024663.db2.gz KRRPASUEOXYXFT-QGZVFWFLSA-N 1 2 390.509 0.968 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1OCC ZINC000983372742 1195032716 /nfs/dbraw/zinc/03/27/16/1195032716.db2.gz KQLDFXSQOCTJSU-XZKMEQPCSA-N 1 2 390.484 0.913 20 30 GCEDLO Cc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1S(=O)(=O)NCC#N ZINC000518690489 1195319941 /nfs/dbraw/zinc/31/99/41/1195319941.db2.gz MOYRLCXACAHKKX-UHFFFAOYSA-N 1 2 394.497 0.638 20 30 GCEDLO Cc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1S(=O)(=O)NCC#N ZINC000518690489 1195319944 /nfs/dbraw/zinc/31/99/44/1195319944.db2.gz MOYRLCXACAHKKX-UHFFFAOYSA-N 1 2 394.497 0.638 20 30 GCEDLO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000017843463 1195343126 /nfs/dbraw/zinc/34/31/26/1195343126.db2.gz ZOOOMOXURDQEBL-OAQYLSRUSA-N 1 2 395.463 0.923 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000440084228 1195383414 /nfs/dbraw/zinc/38/34/14/1195383414.db2.gz VYHRRHZHVHBTNQ-CABCVRRESA-N 1 2 381.498 0.678 20 30 GCEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000440084228 1195383419 /nfs/dbraw/zinc/38/34/19/1195383419.db2.gz VYHRRHZHVHBTNQ-CABCVRRESA-N 1 2 381.498 0.678 20 30 GCEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000440283186 1195404538 /nfs/dbraw/zinc/40/45/38/1195404538.db2.gz OAWQZDBUELEADA-GFCCVEGCSA-N 1 2 386.843 1.498 20 30 GCEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000440283186 1195404540 /nfs/dbraw/zinc/40/45/40/1195404540.db2.gz OAWQZDBUELEADA-GFCCVEGCSA-N 1 2 386.843 1.498 20 30 GCEDLO C[C@H]([C@H](C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000729444296 1195419393 /nfs/dbraw/zinc/41/93/93/1195419393.db2.gz JPFDEXHWZLKQJD-UONOGXRCSA-N 1 2 394.497 0.341 20 30 GCEDLO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nn1-c1cccc(C#N)c1 ZINC000507092946 1195491151 /nfs/dbraw/zinc/49/11/51/1195491151.db2.gz CWHOZFOVNRIDJS-GOSISDBHSA-N 1 2 383.452 0.818 20 30 GCEDLO COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427042559 1195501766 /nfs/dbraw/zinc/50/17/66/1195501766.db2.gz DKDZEEHXXJCOMQ-CQSZACIVSA-N 1 2 383.408 0.850 20 30 GCEDLO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000328813807 1195666510 /nfs/dbraw/zinc/66/65/10/1195666510.db2.gz BYPUPBQFUWSNDC-DLBZAZTESA-N 1 2 381.498 0.309 20 30 GCEDLO O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000328813807 1195666511 /nfs/dbraw/zinc/66/65/11/1195666511.db2.gz BYPUPBQFUWSNDC-DLBZAZTESA-N 1 2 381.498 0.309 20 30 GCEDLO CC(=O)N1CC[C@H](CN(C)C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000328824750 1195667075 /nfs/dbraw/zinc/66/70/75/1195667075.db2.gz ISYRLWFADDBCOU-SJLPKXTDSA-N 1 2 384.546 0.909 20 30 GCEDLO CCCS(=O)(=O)NC1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000330448958 1195690845 /nfs/dbraw/zinc/69/08/45/1195690845.db2.gz SLVYIEUPQYLPHL-UHFFFAOYSA-N 1 2 390.550 0.805 20 30 GCEDLO CCCS(=O)(=O)NC1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000330448958 1195690848 /nfs/dbraw/zinc/69/08/48/1195690848.db2.gz SLVYIEUPQYLPHL-UHFFFAOYSA-N 1 2 390.550 0.805 20 30 GCEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000330646834 1195698546 /nfs/dbraw/zinc/69/85/46/1195698546.db2.gz MSGPGHJWINUUFP-KRWDZBQOSA-N 1 2 399.561 0.035 20 30 GCEDLO CCN(C1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000330675031 1195703427 /nfs/dbraw/zinc/70/34/27/1195703427.db2.gz RKEPMWRWCSGXEU-OAHLLOKOSA-N 1 2 389.566 0.282 20 30 GCEDLO CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001111523437 1195765259 /nfs/dbraw/zinc/76/52/59/1195765259.db2.gz ZITSIRSAYVJAKD-TWMKSMIVSA-N 1 2 377.489 0.289 20 30 GCEDLO CC(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001111523437 1195765263 /nfs/dbraw/zinc/76/52/63/1195765263.db2.gz ZITSIRSAYVJAKD-TWMKSMIVSA-N 1 2 377.489 0.289 20 30 GCEDLO C=CCn1cc(-c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)nn1 ZINC000351361776 1195782684 /nfs/dbraw/zinc/78/26/84/1195782684.db2.gz VHOJDKFWZKHMSO-UHFFFAOYSA-N 1 2 380.412 0.964 20 30 GCEDLO C[C@H](c1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1)[NH+]1CCOCC1 ZINC000508307719 1195915321 /nfs/dbraw/zinc/91/53/21/1195915321.db2.gz VRRFCXPCKJRLHR-CQSZACIVSA-N 1 2 397.439 0.298 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCN(C(=O)CCC)C2)CC1 ZINC000104007707 1196054376 /nfs/dbraw/zinc/05/43/76/1196054376.db2.gz VLKCBTZWRVRCBQ-KRWDZBQOSA-N 1 2 376.501 0.309 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCN(C(=O)CCC)C2)CC1 ZINC000104007707 1196054378 /nfs/dbraw/zinc/05/43/78/1196054378.db2.gz VLKCBTZWRVRCBQ-KRWDZBQOSA-N 1 2 376.501 0.309 20 30 GCEDLO CC#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000550491674 1196055432 /nfs/dbraw/zinc/05/54/32/1196055432.db2.gz SPBLNWYBKDLYND-UHFFFAOYSA-N 1 2 391.493 0.677 20 30 GCEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000550491674 1196055433 /nfs/dbraw/zinc/05/54/33/1196055433.db2.gz SPBLNWYBKDLYND-UHFFFAOYSA-N 1 2 391.493 0.677 20 30 GCEDLO C=CCN1CCN(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)C1=O ZINC000840145961 1196089088 /nfs/dbraw/zinc/08/90/88/1196089088.db2.gz HVEPLRKSUOESCQ-UHFFFAOYSA-N 1 2 386.449 0.665 20 30 GCEDLO C=CCN1CCN(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)C1=O ZINC000840145961 1196089090 /nfs/dbraw/zinc/08/90/90/1196089090.db2.gz HVEPLRKSUOESCQ-UHFFFAOYSA-N 1 2 386.449 0.665 20 30 GCEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[NH+](CCO)CC3)C2)C1 ZINC000895583626 1196102347 /nfs/dbraw/zinc/10/23/47/1196102347.db2.gz NNTIEEVJKZGKCT-LFDOHDQPSA-N 1 2 392.500 0.910 20 30 GCEDLO C#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000895722451 1196110129 /nfs/dbraw/zinc/11/01/29/1196110129.db2.gz VVMKNMRNMFCGMR-UHFFFAOYSA-N 1 2 398.488 0.945 20 30 GCEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000280863265 1196113812 /nfs/dbraw/zinc/11/38/12/1196113812.db2.gz KXXCDDKNILLUEN-RTBURBONSA-N 1 2 395.463 0.290 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000895915615 1196118051 /nfs/dbraw/zinc/11/80/51/1196118051.db2.gz DPPLJIBANFKUMA-UHFFFAOYSA-N 1 2 377.445 0.801 20 30 GCEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000895920221 1196118463 /nfs/dbraw/zinc/11/84/63/1196118463.db2.gz GVDRJJIABNZODX-QGZVFWFLSA-N 1 2 392.525 0.497 20 30 GCEDLO C#CCNc1nc(N[C@H](C)C(=O)NC(C)C)[nH+]c(N[C@H](C)C(=O)NC(C)C)n1 ZINC000840383024 1196124887 /nfs/dbraw/zinc/12/48/87/1196124887.db2.gz VORXWLUNOMELPQ-CHWSQXEVSA-N 1 2 390.492 0.567 20 30 GCEDLO C#CCNc1nc(N[C@H](C)C(=O)NC(C)C)nc(N[C@H](C)C(=O)NC(C)C)[nH+]1 ZINC000840383024 1196124890 /nfs/dbraw/zinc/12/48/90/1196124890.db2.gz VORXWLUNOMELPQ-CHWSQXEVSA-N 1 2 390.492 0.567 20 30 GCEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1 ZINC000329148914 1196168459 /nfs/dbraw/zinc/16/84/59/1196168459.db2.gz YNKALPNBPXXRKM-ZBFHGGJFSA-N 1 2 391.520 0.785 20 30 GCEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000329198046 1196175254 /nfs/dbraw/zinc/17/52/54/1196175254.db2.gz WMSOHEJXUJPHQG-INIZCTEOSA-N 1 2 395.529 0.460 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCc3nnc4n3CCCC4)ccn2)CC1 ZINC000329272069 1196181936 /nfs/dbraw/zinc/18/19/36/1196181936.db2.gz IKAADZJYHKCZNJ-UHFFFAOYSA-N 1 2 398.471 0.923 20 30 GCEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C[C@@H]21 ZINC000329348869 1196187610 /nfs/dbraw/zinc/18/76/10/1196187610.db2.gz DPCUVVBDMSZAAM-VNQPRFMTSA-N 1 2 386.518 0.262 20 30 GCEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C[C@@H]21 ZINC000329348869 1196187613 /nfs/dbraw/zinc/18/76/13/1196187613.db2.gz DPCUVVBDMSZAAM-VNQPRFMTSA-N 1 2 386.518 0.262 20 30 GCEDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)cc[nH+]1 ZINC000329357367 1196188100 /nfs/dbraw/zinc/18/81/00/1196188100.db2.gz WPUNRZPAADIUQK-RDTXWAMCSA-N 1 2 398.471 0.527 20 30 GCEDLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@]12CCOC2 ZINC000329544300 1196204438 /nfs/dbraw/zinc/20/44/38/1196204438.db2.gz FXLQPAGIUCKLJO-YJBOKZPZSA-N 1 2 394.497 0.917 20 30 GCEDLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000329617622 1196210592 /nfs/dbraw/zinc/21/05/92/1196210592.db2.gz QFZPWJNWYVCBPH-BBRMVZONSA-N 1 2 392.485 0.869 20 30 GCEDLO C[C@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000329631397 1196213298 /nfs/dbraw/zinc/21/32/98/1196213298.db2.gz WOMZSVCEHYWLJG-KRWDZBQOSA-N 1 2 382.486 0.917 20 30 GCEDLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000329788854 1196231486 /nfs/dbraw/zinc/23/14/86/1196231486.db2.gz BOWUHGDDTMOZFS-UHFFFAOYSA-N 1 2 396.513 0.905 20 30 GCEDLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329805519 1196232337 /nfs/dbraw/zinc/23/23/37/1196232337.db2.gz MZAHUCOZNJSTBA-CHWSQXEVSA-N 1 2 378.395 0.860 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN4CCOC[C@@H]4C3)ccn2)CC1 ZINC000329815438 1196232646 /nfs/dbraw/zinc/23/26/46/1196232646.db2.gz FBRRQTZNESXAHD-INIZCTEOSA-N 1 2 388.472 0.031 20 30 GCEDLO Cc1nc2n(n1)C[C@@H](NC(=O)Nc1ccnc(C(=O)N3CC[NH+](C)CC3)c1)CC2 ZINC000329819805 1196232995 /nfs/dbraw/zinc/23/29/95/1196232995.db2.gz GORHAKDABJBMKI-HNNXBMFYSA-N 1 2 398.471 0.519 20 30 GCEDLO CCC(=O)N1CC[C@H](NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329848224 1196234187 /nfs/dbraw/zinc/23/41/87/1196234187.db2.gz PNVHJXREVREWER-HNNXBMFYSA-N 1 2 388.472 0.615 20 30 GCEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3(O)CCOCC3)ccn2)CC1 ZINC000329855880 1196234665 /nfs/dbraw/zinc/23/46/65/1196234665.db2.gz UKKVTDHAODQKKR-UHFFFAOYSA-N 1 2 377.445 0.337 20 30 GCEDLO CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000329864041 1196234786 /nfs/dbraw/zinc/23/47/86/1196234786.db2.gz SKAFCXYISWCLKQ-ZWKOTPCHSA-N 1 2 390.532 0.908 20 30 GCEDLO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000329864041 1196234788 /nfs/dbraw/zinc/23/47/88/1196234788.db2.gz SKAFCXYISWCLKQ-ZWKOTPCHSA-N 1 2 390.532 0.908 20 30 GCEDLO Cc1c([C@@H]2[C@H](C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)CC(=O)N2C)cnn1C ZINC000329865459 1196234871 /nfs/dbraw/zinc/23/48/71/1196234871.db2.gz AGUKHXSDAZSMPS-SIIHOXLZSA-N 1 2 376.505 0.840 20 30 GCEDLO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329939585 1196241044 /nfs/dbraw/zinc/24/10/44/1196241044.db2.gz BCHCAQHQJWBQSH-GJZGRUSLSA-N 1 2 378.477 0.970 20 30 GCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000330120331 1196254034 /nfs/dbraw/zinc/25/40/34/1196254034.db2.gz IWXWRMVDYYKLHY-GGPKGHCWSA-N 1 2 378.517 0.949 20 30 GCEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000330120331 1196254038 /nfs/dbraw/zinc/25/40/38/1196254038.db2.gz IWXWRMVDYYKLHY-GGPKGHCWSA-N 1 2 378.517 0.949 20 30 GCEDLO C[C@H]([C@H](C)NC(=O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1)[NH+]1CCOCC1 ZINC000330326844 1196284653 /nfs/dbraw/zinc/28/46/53/1196284653.db2.gz KKLYRHDHDAIRBO-MJBXVCDLSA-N 1 2 379.465 0.037 20 30 GCEDLO C=CCN1CC[C@@H](N(C)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1=O ZINC000281417442 1196296162 /nfs/dbraw/zinc/29/61/62/1196296162.db2.gz QCGDZKUSHCPEJJ-MRXNPFEDSA-N 1 2 376.461 0.466 20 30 GCEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000281728143 1196326303 /nfs/dbraw/zinc/32/63/03/1196326303.db2.gz JSXJQWUSJGQEDP-DOTOQJQBSA-N 1 2 391.472 0.251 20 30 GCEDLO C=CCN1CC[C@@H](N(C)c2cc(N(C)[C@H]3CCN(CC=C)C3=O)nc[nH+]2)C1=O ZINC000281988850 1196356821 /nfs/dbraw/zinc/35/68/21/1196356821.db2.gz VLOJRQQCIUJICV-IYBDPMFKSA-N 1 2 384.484 0.923 20 30 GCEDLO C=CCN1CC[C@@H](N(C)c2cc(N(C)[C@H]3CCN(CC=C)C3=O)[nH+]cn2)C1=O ZINC000281988850 1196356825 /nfs/dbraw/zinc/35/68/25/1196356825.db2.gz VLOJRQQCIUJICV-IYBDPMFKSA-N 1 2 384.484 0.923 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C(CC)CC)C2)CC1 ZINC000112904437 1196493796 /nfs/dbraw/zinc/49/37/96/1196493796.db2.gz CYVUVYLQZOAYQU-INIZCTEOSA-N 1 2 376.501 0.307 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C(CC)CC)C2)CC1 ZINC000112904437 1196493799 /nfs/dbraw/zinc/49/37/99/1196493799.db2.gz CYVUVYLQZOAYQU-INIZCTEOSA-N 1 2 376.501 0.307 20 30 GCEDLO Cc1cn2cc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)ccc2[nH+]1 ZINC000527090019 1196763157 /nfs/dbraw/zinc/76/31/57/1196763157.db2.gz MTCQQQUIIHASDG-UHFFFAOYSA-N 1 2 380.412 0.849 20 30 GCEDLO O=C(C[NH+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1)N1CCCC1 ZINC000528342220 1196849119 /nfs/dbraw/zinc/84/91/19/1196849119.db2.gz YVGYXAYQJMIJDA-UHFFFAOYSA-N 1 2 394.475 0.526 20 30 GCEDLO COCc1noc(CN2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)n1 ZINC000528467274 1196862123 /nfs/dbraw/zinc/86/21/23/1196862123.db2.gz TYABYTSVBFHZJV-INIZCTEOSA-N 1 2 387.440 0.645 20 30 GCEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000449914510 1196905352 /nfs/dbraw/zinc/90/53/52/1196905352.db2.gz VHSLELLWAXAJDB-UHFFFAOYSA-N 1 2 381.440 0.784 20 30 GCEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000449914510 1196905354 /nfs/dbraw/zinc/90/53/54/1196905354.db2.gz VHSLELLWAXAJDB-UHFFFAOYSA-N 1 2 381.440 0.784 20 30 GCEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000985828218 1196910477 /nfs/dbraw/zinc/91/04/77/1196910477.db2.gz BKQYAPYWPQOKNK-OKZBNKHCSA-N 1 2 376.501 0.869 20 30 GCEDLO CC(C)(CC#N)CS(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000451148655 1196975814 /nfs/dbraw/zinc/97/58/14/1196975814.db2.gz RAHWCYMTUYVMTC-UHFFFAOYSA-N 1 2 393.513 0.980 20 30 GCEDLO Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)CC2)c1C#N ZINC000530408308 1196985828 /nfs/dbraw/zinc/98/58/28/1196985828.db2.gz TWSURKOWWYJZJT-GOEBONIOSA-N 1 2 389.504 0.541 20 30 GCEDLO CC1CC(C#N)(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000532068873 1197109766 /nfs/dbraw/zinc/10/97/66/1197109766.db2.gz YZBVESYHWJPSNR-UHFFFAOYSA-N 1 2 391.497 0.589 20 30 GCEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000130195129 1197392766 /nfs/dbraw/zinc/39/27/66/1197392766.db2.gz NGSZDCUZUQGDCE-IEBWSBKVSA-N 1 2 386.496 0.926 20 30 GCEDLO C=C(CC)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000454344261 1197407490 /nfs/dbraw/zinc/40/74/90/1197407490.db2.gz UFQVQAAMKFJBPI-UHFFFAOYSA-N 1 2 381.502 0.799 20 30 GCEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCN(Cc2ccccc2)C(C)=O)CC1 ZINC000079049113 1197519670 /nfs/dbraw/zinc/51/96/70/1197519670.db2.gz KTIVGVTXDKDTMA-UHFFFAOYSA-N 1 2 398.507 0.709 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCN(Cc2ccccc2)C(C)=O)CC1 ZINC000079049113 1197519674 /nfs/dbraw/zinc/51/96/74/1197519674.db2.gz KTIVGVTXDKDTMA-UHFFFAOYSA-N 1 2 398.507 0.709 20 30 GCEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000272244888 1197561380 /nfs/dbraw/zinc/56/13/80/1197561380.db2.gz HDJWBKUWWIYDSG-UHFFFAOYSA-N 1 2 376.413 0.684 20 30 GCEDLO C=CC[N@H+](CCc1ccco1)CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000272244888 1197561386 /nfs/dbraw/zinc/56/13/86/1197561386.db2.gz HDJWBKUWWIYDSG-UHFFFAOYSA-N 1 2 376.413 0.684 20 30 GCEDLO C#CCOc1ncccc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC000999734596 1198966600 /nfs/dbraw/zinc/96/66/00/1198966600.db2.gz NWXLPKSXXCTCHS-KBMXLJTQSA-N 1 2 379.420 0.921 20 30 GCEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)CC(=O)NCc1ccc(C#N)cc1 ZINC000273807599 1199067697 /nfs/dbraw/zinc/06/76/97/1199067697.db2.gz CESRKKJUNYJHOH-QGZVFWFLSA-N 1 2 387.484 0.657 20 30 GCEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)CC(=O)NCc1ccc(C#N)cc1 ZINC000273807599 1199067699 /nfs/dbraw/zinc/06/76/99/1199067699.db2.gz CESRKKJUNYJHOH-QGZVFWFLSA-N 1 2 387.484 0.657 20 30 GCEDLO C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000508916721 1199788892 /nfs/dbraw/zinc/78/88/92/1199788892.db2.gz HWVGGTLTZYLXAU-AWEZNQCLSA-N 1 2 384.488 0.654 20 30 GCEDLO Cc1nc(C#N)c(N2CCN(C(=O)CSCC[NH+]3CCOCC3)CC2)o1 ZINC000328913641 1199827217 /nfs/dbraw/zinc/82/72/17/1199827217.db2.gz PQAFRNJGHYQUIY-UHFFFAOYSA-N 1 2 379.486 0.569 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001083853353 1200146454 /nfs/dbraw/zinc/14/64/54/1200146454.db2.gz PRKGGLOKKJWPFA-RDGPPVDQSA-N 1 2 387.480 0.689 20 30 GCEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C(=O)NC)c2)C[C@@H]1O ZINC001083853353 1200146456 /nfs/dbraw/zinc/14/64/56/1200146456.db2.gz PRKGGLOKKJWPFA-RDGPPVDQSA-N 1 2 387.480 0.689 20 30 GCEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H](OC)C2)nc1 ZINC000946818753 1200174865 /nfs/dbraw/zinc/17/48/65/1200174865.db2.gz LYEBHCJMBUHCSH-FXRXJOCMSA-N 1 2 393.447 0.556 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1OC ZINC000946819078 1200176352 /nfs/dbraw/zinc/17/63/52/1200176352.db2.gz XIRYQTLLEBTXFG-LVQVYYBASA-N 1 2 376.457 0.286 20 30 GCEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1OC ZINC000946819980 1200268078 /nfs/dbraw/zinc/26/80/78/1200268078.db2.gz KUUTYDFBHZFMSG-XLMAVXFVSA-N 1 2 389.452 0.566 20 30 GCEDLO C#CCOc1ncccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001005521746 1200333815 /nfs/dbraw/zinc/33/38/15/1200333815.db2.gz NWXLPKSXXCTCHS-BMFZPTHFSA-N 1 2 379.420 0.921 20 30 GCEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C)cc1=O)C2 ZINC001005809263 1200612728 /nfs/dbraw/zinc/61/27/28/1200612728.db2.gz OSSDLNFXVKOADN-BGTYHANMSA-N 1 2 382.464 0.643 20 30 GCEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C)cc1=O)C2 ZINC001005809263 1200612735 /nfs/dbraw/zinc/61/27/35/1200612735.db2.gz OSSDLNFXVKOADN-BGTYHANMSA-N 1 2 382.464 0.643 20 30 GCEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000374678833 1200659301 /nfs/dbraw/zinc/65/93/01/1200659301.db2.gz KXTNDAJDVYVYJT-UHFFFAOYSA-N 1 2 395.398 1.567 20 30 GCEDLO Cc1c(C#N)cccc1NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000581195417 1200724354 /nfs/dbraw/zinc/72/43/54/1200724354.db2.gz KUHVQTPOMJNKJK-UHFFFAOYSA-N 1 2 382.424 0.973 20 30 GCEDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)N(C)C[C@H](C)C#N ZINC000282542431 1200958920 /nfs/dbraw/zinc/95/89/20/1200958920.db2.gz DIPLPWXIFPOWPB-HZPDHXFCSA-N 1 2 380.518 0.518 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)[C@H](C)[C@H](C)C(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563666 1201134912 /nfs/dbraw/zinc/13/49/12/1201134912.db2.gz JMBJLCZTPNCZRQ-JVSBHGNQSA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@H](NC(=O)[C@H](C)[C@H](C)C(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563666 1201134914 /nfs/dbraw/zinc/13/49/14/1201134914.db2.gz JMBJLCZTPNCZRQ-JVSBHGNQSA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@@H](NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923563666 1201134918 /nfs/dbraw/zinc/13/49/18/1201134918.db2.gz JMBJLCZTPNCZRQ-JVSBHGNQSA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@@H](NC(=O)[C@@H](C)[C@@H](C)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923563666 1201134922 /nfs/dbraw/zinc/13/49/22/1201134922.db2.gz JMBJLCZTPNCZRQ-JVSBHGNQSA-N 1 2 386.540 0.686 20 30 GCEDLO C#CCN1CCC[C@@H](NC(=O)c2ccc(C(=O)N[C@@H]3CCC[N@H+](CC#C)C3)o2)C1 ZINC000923568991 1201141702 /nfs/dbraw/zinc/14/17/02/1201141702.db2.gz JVTLVTOIIALINL-QZTJIDSGSA-N 1 2 396.491 0.934 20 30 GCEDLO C#CCN1CCC[C@@H](NC(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+](CC#C)C3)o2)C1 ZINC000923568991 1201141705 /nfs/dbraw/zinc/14/17/05/1201141705.db2.gz JVTLVTOIIALINL-QZTJIDSGSA-N 1 2 396.491 0.934 20 30 GCEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000923588887 1201169390 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C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3c1cccc3OC)C2 ZINC001109357426 1202023585 /nfs/dbraw/zinc/02/35/85/1202023585.db2.gz HELMKFJLHAZRQO-KMFMINBZSA-N 1 2 381.436 0.427 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3c1cccc3OC)C2 ZINC001109357426 1202023589 /nfs/dbraw/zinc/02/35/89/1202023589.db2.gz HELMKFJLHAZRQO-KMFMINBZSA-N 1 2 381.436 0.427 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]c(C)nc3c1)C2 ZINC001109387534 1202035972 /nfs/dbraw/zinc/03/59/72/1202035972.db2.gz RNLIFZIAPJBMGE-UTNFCUCBSA-N 1 2 380.452 0.739 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]c(C)nc3c1)C2 ZINC001109387534 1202035975 /nfs/dbraw/zinc/03/59/75/1202035975.db2.gz RNLIFZIAPJBMGE-UTNFCUCBSA-N 1 2 380.452 0.739 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)NC(=O)C3)C2 ZINC001109412576 1202040205 /nfs/dbraw/zinc/04/02/05/1202040205.db2.gz DEOYHKZDKLQNBX-NJAFHUGGSA-N 1 2 380.448 0.195 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc3c(c1)NC(=O)C3)C2 ZINC001109412576 1202040208 /nfs/dbraw/zinc/04/02/08/1202040208.db2.gz DEOYHKZDKLQNBX-NJAFHUGGSA-N 1 2 380.448 0.195 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC)C2 ZINC001109416758 1202042890 /nfs/dbraw/zinc/04/28/90/1202042890.db2.gz VYZKJBUEVWZTOQ-GFAJBQDWSA-N 1 2 399.495 0.452 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC)C2 ZINC001109416758 1202042894 /nfs/dbraw/zinc/04/28/94/1202042894.db2.gz VYZKJBUEVWZTOQ-GFAJBQDWSA-N 1 2 399.495 0.452 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(c3ccccc3)C1)C2 ZINC001109437697 1202050145 /nfs/dbraw/zinc/05/01/45/1202050145.db2.gz IOCQECVIVUFBIW-LMCOJAPRSA-N 1 2 380.492 0.984 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCN(c3ccccc3)C1)C2 ZINC001109437697 1202050147 /nfs/dbraw/zinc/05/01/47/1202050147.db2.gz IOCQECVIVUFBIW-LMCOJAPRSA-N 1 2 380.492 0.984 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(cc[nH]c3=O)n1)C2 ZINC001109463896 1202056821 /nfs/dbraw/zinc/05/68/21/1202056821.db2.gz BRRRRRSGKVMQKU-DQYPLSBCSA-N 1 2 379.420 0.420 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(cc[nH]c3=O)n1)C2 ZINC001109463896 1202056823 /nfs/dbraw/zinc/05/68/23/1202056823.db2.gz BRRRRRSGKVMQKU-DQYPLSBCSA-N 1 2 379.420 0.420 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C2 ZINC001109491266 1202061531 /nfs/dbraw/zinc/06/15/31/1202061531.db2.gz NUOHYABVOZECQE-QYZOEREBSA-N 1 2 382.464 0.658 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(NC(C)=O)cc1)C2 ZINC001109491266 1202061533 /nfs/dbraw/zinc/06/15/33/1202061533.db2.gz NUOHYABVOZECQE-QYZOEREBSA-N 1 2 382.464 0.658 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1N1CCCC1)C2 ZINC001109491216 1202061559 /nfs/dbraw/zinc/06/15/59/1202061559.db2.gz MFDHHKYVVODRMZ-NJAFHUGGSA-N 1 2 381.480 0.766 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1N1CCCC1)C2 ZINC001109491216 1202061561 /nfs/dbraw/zinc/06/15/61/1202061561.db2.gz MFDHHKYVVODRMZ-NJAFHUGGSA-N 1 2 381.480 0.766 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncc3cc(C)cnc31)C2 ZINC001109528984 1202072514 /nfs/dbraw/zinc/07/25/14/1202072514.db2.gz UTZQROBTTJLHGI-IKGGRYGDSA-N 1 2 380.452 0.211 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncc3cc(C)cnc31)C2 ZINC001109528984 1202072515 /nfs/dbraw/zinc/07/25/15/1202072515.db2.gz UTZQROBTTJLHGI-IKGGRYGDSA-N 1 2 380.452 0.211 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001109538550 1202076116 /nfs/dbraw/zinc/07/61/16/1202076116.db2.gz HPUBIRLGYXIQCG-NRKMAOIBSA-N 1 2 388.468 0.143 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001109538550 1202076119 /nfs/dbraw/zinc/07/61/19/1202076119.db2.gz HPUBIRLGYXIQCG-NRKMAOIBSA-N 1 2 388.468 0.143 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)c3cccnc31)C2 ZINC001109544627 1202077252 /nfs/dbraw/zinc/07/72/52/1202077252.db2.gz FEGIHNJYIVPRGZ-PVAVHDDUSA-N 1 2 382.468 0.763 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1nc(C)c3cccnc31)C2 ZINC001109544627 1202077255 /nfs/dbraw/zinc/07/72/55/1202077255.db2.gz FEGIHNJYIVPRGZ-PVAVHDDUSA-N 1 2 382.468 0.763 20 30 GCEDLO Cc1nn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)c2ncccc12 ZINC001109545014 1202077522 /nfs/dbraw/zinc/07/75/22/1202077522.db2.gz WOOPWZGEGIBCLI-KBMXLJTQSA-N 1 2 381.440 0.101 20 30 GCEDLO Cc1nn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)c2ncccc12 ZINC001109545014 1202077524 /nfs/dbraw/zinc/07/75/24/1202077524.db2.gz WOOPWZGEGIBCLI-KBMXLJTQSA-N 1 2 381.440 0.101 20 30 GCEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000769952897 1202078390 /nfs/dbraw/zinc/07/83/90/1202078390.db2.gz GKRVUVLHBYITFI-OAHLLOKOSA-N 1 2 379.482 0.908 20 30 GCEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000769952897 1202078393 /nfs/dbraw/zinc/07/83/93/1202078393.db2.gz GKRVUVLHBYITFI-OAHLLOKOSA-N 1 2 379.482 0.908 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(-n3ccnn3)c1)C2 ZINC001109560676 1202079303 /nfs/dbraw/zinc/07/93/03/1202079303.db2.gz LYTBSCDOGNIOHO-PVAVHDDUSA-N 1 2 381.440 0.300 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(-n3ccnn3)c1)C2 ZINC001109560676 1202079305 /nfs/dbraw/zinc/07/93/05/1202079305.db2.gz LYTBSCDOGNIOHO-PVAVHDDUSA-N 1 2 381.440 0.300 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)COC)C2 ZINC001109552927 1202079784 /nfs/dbraw/zinc/07/97/84/1202079784.db2.gz ZYKHOXOTJFYZNV-ILXRZTDVSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)COC)C2 ZINC001109552927 1202079788 /nfs/dbraw/zinc/07/97/88/1202079788.db2.gz ZYKHOXOTJFYZNV-ILXRZTDVSA-N 1 2 380.489 0.782 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC001109571429 1202082820 /nfs/dbraw/zinc/08/28/20/1202082820.db2.gz ZIKBBOPSWFERKJ-QYZOEREBSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC001109571429 1202082823 /nfs/dbraw/zinc/08/28/23/1202082823.db2.gz ZIKBBOPSWFERKJ-QYZOEREBSA-N 1 2 377.448 0.957 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc(C)nn3c1C)C2 ZINC001109577942 1202083291 /nfs/dbraw/zinc/08/32/91/1202083291.db2.gz BRBARSAPSOOGHE-PVAVHDDUSA-N 1 2 380.452 0.431 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3cc(C)nn3c1C)C2 ZINC001109577942 1202083292 /nfs/dbraw/zinc/08/32/92/1202083292.db2.gz BRBARSAPSOOGHE-PVAVHDDUSA-N 1 2 380.452 0.431 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3c1nc(C)cc3C)C2 ZINC001109586346 1202085856 /nfs/dbraw/zinc/08/58/56/1202085856.db2.gz UFAAUFQSZJYYIW-PVAVHDDUSA-N 1 2 380.452 0.431 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3c1nc(C)cc3C)C2 ZINC001109586346 1202085860 /nfs/dbraw/zinc/08/58/60/1202085860.db2.gz UFAAUFQSZJYYIW-PVAVHDDUSA-N 1 2 380.452 0.431 20 30 GCEDLO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000746500906 1202092422 /nfs/dbraw/zinc/09/24/22/1202092422.db2.gz GYHATIZZACPJOV-HNNXBMFYSA-N 1 2 378.498 0.104 20 30 GCEDLO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000746500906 1202092423 /nfs/dbraw/zinc/09/24/23/1202092423.db2.gz GYHATIZZACPJOV-HNNXBMFYSA-N 1 2 378.498 0.104 20 30 GCEDLO C#CCN1CCN(C(=O)CN2CC[NH+](Cc3ccc(OCC)cc3)CC2)CC1 ZINC000746499908 1202092459 /nfs/dbraw/zinc/09/24/59/1202092459.db2.gz OEVPFJSAOFHWRR-UHFFFAOYSA-N 1 2 384.524 0.980 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3cccnc3)on1)C2 ZINC001109653992 1202098938 /nfs/dbraw/zinc/09/89/38/1202098938.db2.gz QLCWDTVPLRQITJ-VYDXJSESSA-N 1 2 379.420 0.821 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3cccnc3)on1)C2 ZINC001109653992 1202098941 /nfs/dbraw/zinc/09/89/41/1202098941.db2.gz QLCWDTVPLRQITJ-VYDXJSESSA-N 1 2 379.420 0.821 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]cc1F)C2 ZINC001109688427 1202104847 /nfs/dbraw/zinc/10/48/47/1202104847.db2.gz OLCBCWOAQVTLTK-LFSVMHDDSA-N 1 2 378.408 0.284 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1n[nH]cc1F)C2 ZINC001109688427 1202104849 /nfs/dbraw/zinc/10/48/49/1202104849.db2.gz OLCBCWOAQVTLTK-LFSVMHDDSA-N 1 2 378.408 0.284 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ncn(C)c3n1)C2 ZINC001109715819 1202108148 /nfs/dbraw/zinc/10/81/48/1202108148.db2.gz FNOOXJNRGMXVSB-OMNBBPDLSA-N 1 2 380.452 0.441 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3ncn(C)c3n1)C2 ZINC001109715819 1202108149 /nfs/dbraw/zinc/10/81/49/1202108149.db2.gz FNOOXJNRGMXVSB-OMNBBPDLSA-N 1 2 380.452 0.441 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2 ZINC001109826525 1202130233 /nfs/dbraw/zinc/13/02/33/1202130233.db2.gz MFYRKUWZHHQNQX-QLCXLMDBSA-N 1 2 387.484 0.312 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2 ZINC001109826525 1202130234 /nfs/dbraw/zinc/13/02/34/1202130234.db2.gz MFYRKUWZHHQNQX-QLCXLMDBSA-N 1 2 387.484 0.312 20 30 GCEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)c2cnn(C)c2n1 ZINC001109884417 1202141431 /nfs/dbraw/zinc/14/14/31/1202141431.db2.gz SAIPPIPNKTUWET-KCXAZCMYSA-N 1 2 381.440 0.252 20 30 GCEDLO Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)c2cnn(C)c2n1 ZINC001109884417 1202141433 /nfs/dbraw/zinc/14/14/33/1202141433.db2.gz SAIPPIPNKTUWET-KCXAZCMYSA-N 1 2 381.440 0.252 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCCOC)C2 ZINC001109941192 1202155303 /nfs/dbraw/zinc/15/53/03/1202155303.db2.gz ODWZLEJACSVAMB-FZKCQIBNSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCCOC)C2 ZINC001109941192 1202155304 /nfs/dbraw/zinc/15/53/04/1202155304.db2.gz ODWZLEJACSVAMB-FZKCQIBNSA-N 1 2 380.489 0.782 20 30 GCEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)cn1)C2 ZINC001109969947 1202163130 /nfs/dbraw/zinc/16/31/30/1202163130.db2.gz HKHZRPLOYXFBBU-JLSDUUJJSA-N 1 2 380.452 0.905 20 30 GCEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3ccnc3)cn1)C2 ZINC001109969947 1202163131 /nfs/dbraw/zinc/16/31/31/1202163131.db2.gz HKHZRPLOYXFBBU-JLSDUUJJSA-N 1 2 380.452 0.905 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1C(F)F)C2 ZINC001109966410 1202164030 /nfs/dbraw/zinc/16/40/30/1202164030.db2.gz PKBNZHQMOFWAOA-RFHZTLPTSA-N 1 2 379.411 0.831 20 30 GCEDLO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1C(F)F)C2 ZINC001109966410 1202164031 /nfs/dbraw/zinc/16/40/31/1202164031.db2.gz PKBNZHQMOFWAOA-RFHZTLPTSA-N 1 2 379.411 0.831 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1C(F)F)C2 ZINC001109966411 1202164123 /nfs/dbraw/zinc/16/41/23/1202164123.db2.gz PKBNZHQMOFWAOA-XCCSTKFXSA-N 1 2 379.411 0.831 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C)c1C(F)F)C2 ZINC001109966411 1202164129 /nfs/dbraw/zinc/16/41/29/1202164129.db2.gz PKBNZHQMOFWAOA-XCCSTKFXSA-N 1 2 379.411 0.831 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(=O)NC2CC2)cn1 ZINC001109999480 1202170941 /nfs/dbraw/zinc/17/09/41/1202170941.db2.gz GXIMZNULLODPMP-IKGGRYGDSA-N 1 2 381.436 0.386 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(=O)NC2CC2)cn1 ZINC001109999480 1202170945 /nfs/dbraw/zinc/17/09/45/1202170945.db2.gz GXIMZNULLODPMP-IKGGRYGDSA-N 1 2 381.436 0.386 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1Cc3ccccc3C1=O)C2 ZINC001109997855 1202171082 /nfs/dbraw/zinc/17/10/82/1202171082.db2.gz FPQRJENXWRLNKQ-NJAFHUGGSA-N 1 2 380.448 0.113 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1Cc3ccccc3C1=O)C2 ZINC001109997855 1202171083 /nfs/dbraw/zinc/17/10/83/1202171083.db2.gz FPQRJENXWRLNKQ-NJAFHUGGSA-N 1 2 380.448 0.113 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@H]2CCCO2)nc1 ZINC001109998080 1202171201 /nfs/dbraw/zinc/17/12/01/1202171201.db2.gz LSYHYGYUZPRXER-FPAYPSAMSA-N 1 2 382.464 0.693 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@H]2CCCO2)nc1 ZINC001109998080 1202171203 /nfs/dbraw/zinc/17/12/03/1202171203.db2.gz LSYHYGYUZPRXER-FPAYPSAMSA-N 1 2 382.464 0.693 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC[C@@H]2CCOC2)cn1 ZINC001110001181 1202171638 /nfs/dbraw/zinc/17/16/38/1202171638.db2.gz QGCRDOGWOAGWJA-VLQPXKRTSA-N 1 2 382.464 0.551 20 30 GCEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC[C@@H]2CCOC2)cn1 ZINC001110001181 1202171640 /nfs/dbraw/zinc/17/16/40/1202171640.db2.gz QGCRDOGWOAGWJA-VLQPXKRTSA-N 1 2 382.464 0.551 20 30 GCEDLO N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000787777213 1205402650 /nfs/dbraw/zinc/40/26/50/1205402650.db2.gz ZDGHOJIUTRRRTR-UHFFFAOYSA-N 1 2 379.424 0.225 20 30 GCEDLO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)n1 ZINC000789601016 1205444877 /nfs/dbraw/zinc/44/48/77/1205444877.db2.gz KFIXMQOFUKAKGQ-UHFFFAOYSA-N 1 2 377.796 0.816 20 30 GCEDLO COCCN(C)c1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cn1 ZINC000790147497 1205457535 /nfs/dbraw/zinc/45/75/35/1205457535.db2.gz GOAGIDVJSUEEDP-UHFFFAOYSA-N 1 2 394.545 0.685 20 30 GCEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1=O ZINC000790455709 1205465231 /nfs/dbraw/zinc/46/52/31/1205465231.db2.gz KOFOUHHFSPYNLE-UZLBHIALSA-N 1 2 381.436 0.979 20 30 GCEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)C1=O ZINC000790455709 1205465233 /nfs/dbraw/zinc/46/52/33/1205465233.db2.gz KOFOUHHFSPYNLE-UZLBHIALSA-N 1 2 381.436 0.979 20 30 GCEDLO C=CC[N@@H+](CCOC)CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000792406561 1205487163 /nfs/dbraw/zinc/48/71/63/1205487163.db2.gz MBTUSAGSCIDSJT-IBGZPJMESA-N 1 2 390.440 0.628 20 30 GCEDLO C=CC[N@H+](CCOC)CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000792406561 1205487164 /nfs/dbraw/zinc/48/71/64/1205487164.db2.gz MBTUSAGSCIDSJT-IBGZPJMESA-N 1 2 390.440 0.628 20 30 GCEDLO N#Cc1cccnc1NCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747095215 1205495216 /nfs/dbraw/zinc/49/52/16/1205495216.db2.gz HQSARCQWVDMDFD-UHFFFAOYSA-N 1 2 384.444 0.716 20 30 GCEDLO C#CCNc1nc(N[C@H]2CCCCNC2=O)[nH+]c(N[C@H]2CCCCNC2=O)n1 ZINC000804373179 1205514326 /nfs/dbraw/zinc/51/43/26/1205514326.db2.gz QFKHMEZVTHNEKC-STQMWFEESA-N 1 2 386.460 0.078 20 30 GCEDLO C#CCNc1nc(N[C@H]2CCCCNC2=O)nc(N[C@H]2CCCCNC2=O)[nH+]1 ZINC000804373179 1205514329 /nfs/dbraw/zinc/51/43/29/1205514329.db2.gz QFKHMEZVTHNEKC-STQMWFEESA-N 1 2 386.460 0.078 20 30 GCEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Cn3cnc(C#N)n3)C2)CC1 ZINC000804761603 1205525533 /nfs/dbraw/zinc/52/55/33/1205525533.db2.gz JVINDRKSWZCMFG-AWEZNQCLSA-N 1 2 389.460 0.303 20 30 GCEDLO CCC[C@@H]1C[C@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)n1 ZINC001130240103 1205538484 /nfs/dbraw/zinc/53/84/84/1205538484.db2.gz ISAFPINSHDDKLQ-TWMKSMIVSA-N 1 2 389.500 0.969 20 30 GCEDLO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC001130242413 1205539483 /nfs/dbraw/zinc/53/94/83/1205539483.db2.gz VXIDZCQAFGIWDU-NXOAAHMSSA-N 1 2 387.484 0.579 20 30 GCEDLO C=CC[C@H](NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)c1ccncc1 ZINC000805806732 1205544638 /nfs/dbraw/zinc/54/46/38/1205544638.db2.gz UMMTVYHCPQSGOQ-RDJZCZTQSA-N 1 2 388.468 0.911 20 30 GCEDLO C=CC[C@H](NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)c1ccncc1 ZINC000805806732 1205544639 /nfs/dbraw/zinc/54/46/39/1205544639.db2.gz UMMTVYHCPQSGOQ-RDJZCZTQSA-N 1 2 388.468 0.911 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCCO1 ZINC000806399313 1205556925 /nfs/dbraw/zinc/55/69/25/1205556925.db2.gz KGVMILXRTDOLRC-FGTMMUONSA-N 1 2 399.495 0.005 20 30 GCEDLO C#C[C@H](NC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[C@H]1CCCO1 ZINC000809310789 1205622061 /nfs/dbraw/zinc/62/20/61/1205622061.db2.gz DGUQQEYXXWTEAA-DLBZAZTESA-N 1 2 399.495 0.854 20 30 GCEDLO COc1ccc(CNC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1C#N ZINC000809502615 1205626351 /nfs/dbraw/zinc/62/63/51/1205626351.db2.gz PTMPBJLEVBZEDK-UHFFFAOYSA-N 1 2 388.468 0.752 20 30 GCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000810087081 1205633561 /nfs/dbraw/zinc/63/35/61/1205633561.db2.gz MZUQHLDJRZJBLZ-MRXNPFEDSA-N 1 2 383.456 0.978 20 30 GCEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000810087081 1205633563 /nfs/dbraw/zinc/63/35/63/1205633563.db2.gz MZUQHLDJRZJBLZ-MRXNPFEDSA-N 1 2 383.456 0.978 20 30 GCEDLO C#C[C@H](C)N(C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000812004414 1205660408 /nfs/dbraw/zinc/66/04/08/1205660408.db2.gz SGPKCTRRHRIQKY-HNNXBMFYSA-N 1 2 379.486 0.197 20 30 GCEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000747823184 1205669596 /nfs/dbraw/zinc/66/95/96/1205669596.db2.gz OEINYVPTJSDMGW-UHFFFAOYSA-N 1 2 388.493 0.664 20 30 GCEDLO C#CCNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000815010498 1205697277 /nfs/dbraw/zinc/69/72/77/1205697277.db2.gz YWCPMCDDOVHLBP-UHFFFAOYSA-N 1 2 375.494 0.621 20 30 GCEDLO C#CC1(O)CC[NH+](CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CC1 ZINC001174883311 1205732687 /nfs/dbraw/zinc/73/26/87/1205732687.db2.gz XGTQGZLQLVMQCW-HXUWFJFHSA-N 1 2 384.436 0.335 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NCC(C)C ZINC001110185784 1205737535 /nfs/dbraw/zinc/73/75/35/1205737535.db2.gz LXWUKNABMYCTOS-FZKCQIBNSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NCC(C)C ZINC001110185784 1205737537 /nfs/dbraw/zinc/73/75/37/1205737537.db2.gz LXWUKNABMYCTOS-FZKCQIBNSA-N 1 2 380.489 0.781 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(COC)n1)C2 ZINC001110190877 1205742689 /nfs/dbraw/zinc/74/26/89/1205742689.db2.gz VURNWNVMNCVVBX-XFMPKHEZSA-N 1 2 376.482 0.763 20 30 GCEDLO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(COC)n1)C2 ZINC001110190877 1205742690 /nfs/dbraw/zinc/74/26/90/1205742690.db2.gz VURNWNVMNCVVBX-XFMPKHEZSA-N 1 2 376.482 0.763 20 30 GCEDLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC001176609537 1205751433 /nfs/dbraw/zinc/75/14/33/1205751433.db2.gz DIDRNHLEIRBHOS-ZDUSSCGKSA-N 1 2 393.465 0.999 20 30 GCEDLO N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c1N ZINC001176958657 1205758772 /nfs/dbraw/zinc/75/87/72/1205758772.db2.gz RQJVKLZWLUQGHL-LBPRGKRZSA-N 1 2 378.440 0.934 20 30 GCEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1ccnn1)C2 ZINC001110202597 1205764702 /nfs/dbraw/zinc/76/47/02/1205764702.db2.gz JHWSSQFVJBBYNL-HFTRVMKXSA-N 1 2 378.436 0.352 20 30 GCEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1-n1ccnn1)C2 ZINC001110202597 1205764703 /nfs/dbraw/zinc/76/47/03/1205764703.db2.gz JHWSSQFVJBBYNL-HFTRVMKXSA-N 1 2 378.436 0.352 20 30 GCEDLO CCOC(=O)CO/N=C(\C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1)c1cc[nH]n1 ZINC001177263560 1205765666 /nfs/dbraw/zinc/76/56/66/1205765666.db2.gz VSIVZLCDDRTDJF-NNLSSIJJSA-N 1 2 393.444 0.017 20 30 GCEDLO C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001179590059 1205812184 /nfs/dbraw/zinc/81/21/84/1205812184.db2.gz NGRNKNWVCRTJGA-GJZGRUSLSA-N 1 2 392.456 0.927 20 30 GCEDLO COCCOc1cc(C#N)c(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1OCCOC ZINC001180763077 1205832470 /nfs/dbraw/zinc/83/24/70/1205832470.db2.gz XDELYZPLWXCAES-GOSISDBHSA-N 1 2 393.440 0.878 20 30 GCEDLO COCCOc1cc(C#N)c(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1OCCOC ZINC001180763077 1205832472 /nfs/dbraw/zinc/83/24/72/1205832472.db2.gz XDELYZPLWXCAES-GOSISDBHSA-N 1 2 393.440 0.878 20 30 GCEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCCN1CCCC1=O ZINC001110371701 1205930895 /nfs/dbraw/zinc/93/08/95/1205930895.db2.gz WPMKAMMRONVCJY-ZACQAIPSSA-N 1 2 376.501 0.803 20 30 GCEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCCN1CCCC1=O ZINC001110371701 1205930896 /nfs/dbraw/zinc/93/08/96/1205930896.db2.gz WPMKAMMRONVCJY-ZACQAIPSSA-N 1 2 376.501 0.803 20 30 GCEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNS(=O)(=O)c1cnn(C)c1 ZINC001110379003 1205937811 /nfs/dbraw/zinc/93/78/11/1205937811.db2.gz RCNOEULQONFSRD-BMFZPTHFSA-N 1 2 381.502 0.386 20 30 GCEDLO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNS(=O)(=O)c1cnn(C)c1 ZINC001110379003 1205937812 /nfs/dbraw/zinc/93/78/12/1205937812.db2.gz RCNOEULQONFSRD-BMFZPTHFSA-N 1 2 381.502 0.386 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001110380477 1205938923 /nfs/dbraw/zinc/93/89/23/1205938923.db2.gz WPOIODZCEHQYTH-BYNQJWBRSA-N 1 2 377.470 0.879 20 30 GCEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001110380477 1205938926 /nfs/dbraw/zinc/93/89/26/1205938926.db2.gz WPOIODZCEHQYTH-BYNQJWBRSA-N 1 2 377.470 0.879 20 30 GCEDLO Cn1c(=O)[nH]c(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c(C#N)c1=O ZINC001186706190 1205945886 /nfs/dbraw/zinc/94/58/86/1205945886.db2.gz OXRSFQWGPFMIKN-UHFFFAOYSA-N 1 2 396.451 0.255 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001110384870 1205949811 /nfs/dbraw/zinc/94/98/11/1205949811.db2.gz BGJHBAHCAXHGNA-JJXSEGSLSA-N 1 2 380.489 0.781 20 30 GCEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001110384870 1205949813 /nfs/dbraw/zinc/94/98/13/1205949813.db2.gz BGJHBAHCAXHGNA-JJXSEGSLSA-N 1 2 380.489 0.781 20 30 GCEDLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NS(=O)(=O)c1cc(C#N)ccc1F ZINC001190677302 1206043150 /nfs/dbraw/zinc/04/31/50/1206043150.db2.gz QICAVWBDIHSOEJ-AWEZNQCLSA-N 1 2 380.401 0.884 20 30 GCEDLO