smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ncc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1C#N ZINC001164707882 719899791 /nfs/dbraw/zinc/89/97/91/719899791.db2.gz YCLHBSUYUBHREK-UHFFFAOYSA-N 0 1 380.477 2.153 20 30 GEEDMN CC(C)c1ccc(C#N)c(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)n1 ZINC001164868947 721264522 /nfs/dbraw/zinc/26/45/22/721264522.db2.gz GSVFCGAHGRLHHX-UHFFFAOYSA-N 0 1 399.539 2.084 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C#N)cc(Cl)n4)C3)O2)CC1 ZINC001164886188 721378216 /nfs/dbraw/zinc/37/82/16/721378216.db2.gz DPLBDDRBZNAJDP-FXAWDEMLSA-N 0 1 389.931 2.372 20 30 GEEDMN Cc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc(C#N)n1 ZINC001164963800 722056543 /nfs/dbraw/zinc/05/65/43/722056543.db2.gz LKSCBBAZYZBCED-UHFFFAOYSA-N 0 1 378.480 2.171 20 30 GEEDMN COc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164977395 722110606 /nfs/dbraw/zinc/11/06/06/722110606.db2.gz MVCRJAKCBCCVLP-YLJYHZDGSA-N 0 1 379.464 2.084 20 30 GEEDMN CC[C@H](CC#N)NS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000163501251 531859510 /nfs/dbraw/zinc/85/95/10/531859510.db2.gz KRHRYZCDOQABKW-SSDOTTSWSA-N 0 1 381.273 2.268 20 30 GEEDMN C=CCC[C@@H](O)CN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000165370021 531871329 /nfs/dbraw/zinc/87/13/29/531871329.db2.gz XHCOGXCACFOFDN-QGZVFWFLSA-N 0 1 396.329 2.332 20 30 GEEDMN COC(=O)C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccs1 ZINC000124149503 532116144 /nfs/dbraw/zinc/11/61/44/532116144.db2.gz SYPNAEWPIWGOED-LBPRGKRZSA-N 0 1 386.401 2.481 20 30 GEEDMN COC(=O)c1cc(Br)c(S(=O)(=O)NCCCCC#N)s1 ZINC000186901697 532342488 /nfs/dbraw/zinc/34/24/88/532342488.db2.gz RAMWUGCTASBLNQ-UHFFFAOYSA-N 0 1 381.273 2.269 20 30 GEEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000463527420 532375900 /nfs/dbraw/zinc/37/59/00/532375900.db2.gz PIBLUAXNRJWHGG-UHFFFAOYSA-N 0 1 375.431 2.412 20 30 GEEDMN COC(=O)CCN1CCN(Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000191822289 532368839 /nfs/dbraw/zinc/36/88/39/532368839.db2.gz ABNXWCHRQYIZIK-ZDUSSCGKSA-N 0 1 380.286 2.390 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc3c2CNC3=O)cc1Br ZINC000517257374 532411996 /nfs/dbraw/zinc/41/19/96/532411996.db2.gz MBODYXPPNLEVND-UHFFFAOYSA-N 0 1 392.234 2.365 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000626584510 532440789 /nfs/dbraw/zinc/44/07/89/532440789.db2.gz FNEWXNSPWRWAQK-CYBMUJFWSA-N 0 1 384.274 2.202 20 30 GEEDMN CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(F)(F)F ZINC000594699866 532520657 /nfs/dbraw/zinc/52/06/57/532520657.db2.gz MLLCBOMACXVVIG-NSHDSACASA-N 0 1 384.763 2.374 20 30 GEEDMN CCN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433010646 532553594 /nfs/dbraw/zinc/55/35/94/532553594.db2.gz YKZVSDQNYXVGGR-CYBMUJFWSA-N 0 1 386.315 2.473 20 30 GEEDMN CN(C)C(=O)CCN1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000565230082 532554219 /nfs/dbraw/zinc/55/42/19/532554219.db2.gz WLYCQAPUBXHOMF-UHFFFAOYSA-N 0 1 383.265 2.060 20 30 GEEDMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000595345443 532558441 /nfs/dbraw/zinc/55/84/41/532558441.db2.gz PEDPODOLBSSVQT-CYBMUJFWSA-N 0 1 386.315 2.426 20 30 GEEDMN CC1CCN(CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000432882794 532549289 /nfs/dbraw/zinc/54/92/89/532549289.db2.gz DAHGCQFYXKSSRQ-UHFFFAOYSA-N 0 1 386.315 2.331 20 30 GEEDMN C=CCCc1noc(CNS(=O)(=O)c2ccc(Br)s2)n1 ZINC000297340604 532583205 /nfs/dbraw/zinc/58/32/05/532583205.db2.gz OKWVBBLJFSDUBY-UHFFFAOYSA-N 0 1 378.273 2.491 20 30 GEEDMN COC(=O)[C@]1(C(F)(F)F)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000375752660 532581487 /nfs/dbraw/zinc/58/14/87/532581487.db2.gz FMGGRYWBDOICCH-AWEZNQCLSA-N 0 1 375.372 2.376 20 30 GEEDMN CN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436542223 532637670 /nfs/dbraw/zinc/63/76/70/532637670.db2.gz AOEFONUOBHPKIG-UHFFFAOYSA-N 0 1 379.825 2.442 20 30 GEEDMN COc1ncc(Br)cc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000600756527 532681143 /nfs/dbraw/zinc/68/11/43/532681143.db2.gz QYAHAQSQRJEKGX-OAHLLOKOSA-N 0 1 392.253 2.254 20 30 GEEDMN CC(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000487373463 532696163 /nfs/dbraw/zinc/69/61/63/532696163.db2.gz QCGIRXIKCRDVGZ-UHFFFAOYSA-N 0 1 379.463 2.077 20 30 GEEDMN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000487393083 532698215 /nfs/dbraw/zinc/69/82/15/532698215.db2.gz MUCBQMNHZIEIJT-ZDUSSCGKSA-N 0 1 388.511 2.186 20 30 GEEDMN COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000503423342 532747484 /nfs/dbraw/zinc/74/74/84/532747484.db2.gz CRKDQOUCQLLNFM-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccc(OC)c(Cl)c1 ZINC000578684018 532738630 /nfs/dbraw/zinc/73/86/30/532738630.db2.gz MBNNUFMWYBMXBG-AWEZNQCLSA-N 0 1 384.797 2.006 20 30 GEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000286727369 532765159 /nfs/dbraw/zinc/76/51/59/532765159.db2.gz XPBYXICKZGYKMH-SUMWQHHRSA-N 0 1 382.302 2.254 20 30 GEEDMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000287060849 532782061 /nfs/dbraw/zinc/78/20/61/532782061.db2.gz ASAFGTAJSIQLQW-RYUDHWBXSA-N 0 1 381.274 2.240 20 30 GEEDMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287050408 532781220 /nfs/dbraw/zinc/78/12/20/532781220.db2.gz ABRNRUSVLKXJSB-LBPRGKRZSA-N 0 1 380.290 2.078 20 30 GEEDMN C[C@H](NC(=O)CN1CCn2c(=O)[nH]nc2C1)c1ccc(Br)cc1 ZINC000330029336 532813718 /nfs/dbraw/zinc/81/37/18/532813718.db2.gz PVCFPWGRHAACQG-JTQLQIEISA-N 0 1 380.246 2.280 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1N(C)C ZINC000330374260 532817385 /nfs/dbraw/zinc/81/73/85/532817385.db2.gz MNVUJJKNMAEEFL-KBPBESRZSA-N 0 1 393.456 2.243 20 30 GEEDMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000331231751 532836467 /nfs/dbraw/zinc/83/64/67/532836467.db2.gz QQZCNCFPOBWFKA-CQSZACIVSA-N 0 1 386.315 2.472 20 30 GEEDMN C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1CC(C)(C)O ZINC000331289724 532837422 /nfs/dbraw/zinc/83/74/22/532837422.db2.gz AXGMKTVPJRNYES-LBPRGKRZSA-N 0 1 380.286 2.238 20 30 GEEDMN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000288954272 532842812 /nfs/dbraw/zinc/84/28/12/532842812.db2.gz PLAJZNJYCNZUSD-UHFFFAOYSA-N 0 1 383.271 2.263 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000415571738 532850421 /nfs/dbraw/zinc/85/04/21/532850421.db2.gz UENVTWRGXHQEHE-NWDGAFQWSA-N 0 1 396.285 2.161 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NC2CCN(CCc3ccncc3)CC2)s1 ZINC000366648867 532920022 /nfs/dbraw/zinc/92/00/22/532920022.db2.gz JLFVCQAPVGNSNL-UHFFFAOYSA-N 0 1 376.507 2.000 20 30 GEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735419726 598248583 /nfs/dbraw/zinc/24/85/83/598248583.db2.gz ZGRWACDOGJTYNH-MRXNPFEDSA-N 0 1 396.495 2.299 20 30 GEEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NCc2nccn2CC(F)(F)F)o1 ZINC000735850283 598496525 /nfs/dbraw/zinc/49/65/25/598496525.db2.gz ANPSPKMXXRLEKQ-UHFFFAOYSA-N 0 1 383.338 2.258 20 30 GEEDMN CN(C)c1ccc(C(N)=NOCCCOc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736773448 598698734 /nfs/dbraw/zinc/69/87/34/598698734.db2.gz MOSWMCBEDCTUQL-UHFFFAOYSA-N 0 1 381.440 2.039 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000738425971 599976944 /nfs/dbraw/zinc/97/69/44/599976944.db2.gz QSAZRJJHTBBOHA-CQSZACIVSA-N 0 1 377.466 2.003 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000738425971 599976946 /nfs/dbraw/zinc/97/69/46/599976946.db2.gz QSAZRJJHTBBOHA-CQSZACIVSA-N 0 1 377.466 2.003 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1C#N ZINC000738252683 600139108 /nfs/dbraw/zinc/13/91/08/600139108.db2.gz HOZLEVDRHCRAMW-OAHLLOKOSA-N 0 1 384.436 2.353 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1C#N ZINC000738252683 600139109 /nfs/dbraw/zinc/13/91/09/600139109.db2.gz HOZLEVDRHCRAMW-OAHLLOKOSA-N 0 1 384.436 2.353 20 30 GEEDMN N#Cc1ccccc1-c1ccc(C[N@H+](CCN2CCOCC2)CC(=O)[O-])cc1 ZINC000739139471 600147365 /nfs/dbraw/zinc/14/73/65/600147365.db2.gz HIGNKMZIQRHIMO-UHFFFAOYSA-N 0 1 379.460 2.444 20 30 GEEDMN N#Cc1cccc(CNC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000739133838 600326251 /nfs/dbraw/zinc/32/62/51/600326251.db2.gz PWVMKINJQNQTRS-UHFFFAOYSA-N 0 1 387.386 2.430 20 30 GEEDMN N#Cc1cccc(CNC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000739133838 600326253 /nfs/dbraw/zinc/32/62/53/600326253.db2.gz PWVMKINJQNQTRS-UHFFFAOYSA-N 0 1 387.386 2.430 20 30 GEEDMN COc1cc(C(=O)N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)ccc1C ZINC000737844742 600564929 /nfs/dbraw/zinc/56/49/29/600564929.db2.gz SUINOXADAALSIK-HXUWFJFHSA-N 0 1 393.443 2.459 20 30 GEEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000739106729 600567357 /nfs/dbraw/zinc/56/73/57/600567357.db2.gz TYDSZOAPDHXIER-IBGZPJMESA-N 0 1 399.472 2.081 20 30 GEEDMN N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000739106729 600567360 /nfs/dbraw/zinc/56/73/60/600567360.db2.gz TYDSZOAPDHXIER-IBGZPJMESA-N 0 1 399.472 2.081 20 30 GEEDMN CN(C(=O)CN1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000737322516 600568612 /nfs/dbraw/zinc/56/86/12/600568612.db2.gz OAXQEKVBUIFLIO-NRFANRHFSA-N 0 1 398.507 2.093 20 30 GEEDMN C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830706014 601900770 /nfs/dbraw/zinc/90/07/70/601900770.db2.gz AACHMVSLTVNHPL-ACJLOTCBSA-N 0 1 394.349 2.473 20 30 GEEDMN Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)ccc1Cl ZINC000740076808 601947963 /nfs/dbraw/zinc/94/79/63/601947963.db2.gz DLSWEBGHJXQEFS-CQSZACIVSA-N 0 1 378.860 2.485 20 30 GEEDMN Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CNC(=O)[O-])C2)ccc1Cl ZINC000740076808 601947964 /nfs/dbraw/zinc/94/79/64/601947964.db2.gz DLSWEBGHJXQEFS-CQSZACIVSA-N 0 1 378.860 2.485 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)sc2c1CCCC2 ZINC000740311477 601958125 /nfs/dbraw/zinc/95/81/25/601958125.db2.gz QFFWQMPWCZHROK-LBPRGKRZSA-N 0 1 376.482 2.417 20 30 GEEDMN C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000738598335 602480032 /nfs/dbraw/zinc/48/00/32/602480032.db2.gz YCUSZEYVVVJPDJ-GHTZIAJQSA-N 0 1 384.480 2.439 20 30 GEEDMN C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000738598335 602480035 /nfs/dbraw/zinc/48/00/35/602480035.db2.gz YCUSZEYVVVJPDJ-GHTZIAJQSA-N 0 1 384.480 2.439 20 30 GEEDMN COc1cccc(OCC[NH+]2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832573106 604505602 /nfs/dbraw/zinc/50/56/02/604505602.db2.gz QDJZUAGLCVXZPY-OAQYLSRUSA-N 0 1 395.459 2.389 20 30 GEEDMN C=CCc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)cc(OC)c1OC ZINC000833378078 605113607 /nfs/dbraw/zinc/11/36/07/605113607.db2.gz IPVURZXGBULUGF-CQSZACIVSA-N 0 1 376.453 2.053 20 30 GEEDMN N#Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)ccc1F ZINC000833970369 605513812 /nfs/dbraw/zinc/51/38/12/605513812.db2.gz NBBMFXSYAOMOEW-CRAIPNDOSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833963261 605780929 /nfs/dbraw/zinc/78/09/29/605780929.db2.gz KLGWMSFCLKQSHZ-HZPDHXFCSA-N 0 1 391.431 2.440 20 30 GEEDMN COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)Nc1cc(C#N)ccc1O ZINC000821701287 606195088 /nfs/dbraw/zinc/19/50/88/606195088.db2.gz JQJLRSSTXAQQAW-UHFFFAOYSA-N 0 1 394.391 2.250 20 30 GEEDMN Cc1cc(C)n(N=C2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c(=O)c1-c1nnn[n-]1 ZINC000822198554 606861305 /nfs/dbraw/zinc/86/13/05/606861305.db2.gz AFLGKZOIZTWAEP-CQSZACIVSA-N 0 1 377.452 2.144 20 30 GEEDMN Cc1cc(C)n(N=C2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(=O)c1-c1nnn[n-]1 ZINC000822198554 606861307 /nfs/dbraw/zinc/86/13/07/606861307.db2.gz AFLGKZOIZTWAEP-CQSZACIVSA-N 0 1 377.452 2.144 20 30 GEEDMN N#Cc1cccc(OCCCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000822836919 606892398 /nfs/dbraw/zinc/89/23/98/606892398.db2.gz ACJLGAJWVUTUGQ-UHFFFAOYSA-N 0 1 389.463 2.329 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c(Cl)c1 ZINC000826386213 609528843 /nfs/dbraw/zinc/52/88/43/609528843.db2.gz ULQJNCLFFUBINC-UHFFFAOYSA-N 0 1 378.776 2.332 20 30 GEEDMN N#Cc1ccc(N2CCC[C@H](NCc3cc(-c4nn[nH]n4)cs3)C2=O)cc1 ZINC000826385261 609600068 /nfs/dbraw/zinc/60/00/68/609600068.db2.gz DNOXIHGFWUNBLS-INIZCTEOSA-N 0 1 379.449 2.085 20 30 GEEDMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000452102228 650173704 /nfs/dbraw/zinc/17/37/04/650173704.db2.gz HLRIQPOFYRSWEE-CQSZACIVSA-N 0 1 386.315 2.424 20 30 GEEDMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000500431025 650376906 /nfs/dbraw/zinc/37/69/06/650376906.db2.gz WSTXQNKSKOWKOW-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN C=CCOC[C@@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC ZINC000481566127 650648888 /nfs/dbraw/zinc/64/88/88/650648888.db2.gz AJVHHAOEPPTZGY-CYBMUJFWSA-N 0 1 382.265 2.157 20 30 GEEDMN O=C(CNC(=O)c1ccc(Br)o1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000047343038 642630348 /nfs/dbraw/zinc/63/03/48/642630348.db2.gz RMDUZNVJECWBBD-UHFFFAOYSA-N 0 1 391.185 2.240 20 30 GEEDMN N#C[C@@H](C(=O)Cn1cnc2ccc(Br)cc2c1=O)c1ccccn1 ZINC000049457465 642667928 /nfs/dbraw/zinc/66/79/28/642667928.db2.gz QVZXUEQGUXKBQV-CYBMUJFWSA-N 0 1 383.205 2.430 20 30 GEEDMN N#CC(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)C(=O)NC1CC1 ZINC000117083508 643483253 /nfs/dbraw/zinc/48/32/53/643483253.db2.gz PRQRSXOFUUDHHN-PSLXWICFSA-N 0 1 397.294 2.324 20 30 GEEDMN CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000126031340 643719565 /nfs/dbraw/zinc/71/95/65/643719565.db2.gz WLEGVGZLJGQSKH-HDODXQBNSA-N 0 1 376.450 2.195 20 30 GEEDMN N#CC(C(=O)CSc1nncn1-c1cccc(Cl)c1)C(=O)NC1CC1 ZINC000129315217 643820065 /nfs/dbraw/zinc/82/00/65/643820065.db2.gz NHUPLPVCMZMDPL-CYBMUJFWSA-N 0 1 375.841 2.000 20 30 GEEDMN CCN1CCC(N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000155102800 644064162 /nfs/dbraw/zinc/06/41/62/644064162.db2.gz LVBGQOLXRNFQQR-UHFFFAOYSA-N 0 1 386.315 2.426 20 30 GEEDMN COc1ccc(CNCCNS(=O)(=O)c2cccc(Cl)c2)cc1C#N ZINC000174314406 644373248 /nfs/dbraw/zinc/37/32/48/644373248.db2.gz OQSVEYNSLPZHOC-UHFFFAOYSA-N 0 1 379.869 2.288 20 30 GEEDMN Cc1nsc(N2CCCN(CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000174801397 644382915 /nfs/dbraw/zinc/38/29/15/644382915.db2.gz XPZYVLYVSZDIPD-UHFFFAOYSA-N 0 1 376.511 2.321 20 30 GEEDMN CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cncc(Cl)c1 ZINC000269968018 646077919 /nfs/dbraw/zinc/07/79/19/646077919.db2.gz KIEVTIVTWANCNJ-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN CCc1nc([C@@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)n[nH]1 ZINC000270585887 646122776 /nfs/dbraw/zinc/12/27/76/646122776.db2.gz RMWNJBRRAAEKKZ-MRVPVSSYSA-N 0 1 384.259 2.041 20 30 GEEDMN Cc1nc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(Br)cn3)CCO2)n[nH]1 ZINC000329982298 647327283 /nfs/dbraw/zinc/32/72/83/647327283.db2.gz ACZLISLETIUJOE-ZANVPECISA-N 0 1 395.261 2.319 20 30 GEEDMN COc1ccc(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000330711361 647347987 /nfs/dbraw/zinc/34/79/87/647347987.db2.gz UUMGZSQFDUMMOX-NWDGAFQWSA-N 0 1 386.290 2.390 20 30 GEEDMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331208855 647370645 /nfs/dbraw/zinc/37/06/45/647370645.db2.gz GGMJJLGPBZMPKN-CYBMUJFWSA-N 0 1 386.315 2.426 20 30 GEEDMN CO[C@H]1C[C@@H](CN2CCCC2)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000331373310 647382980 /nfs/dbraw/zinc/38/29/80/647382980.db2.gz FTKPAUHPQQIVEL-GJZGRUSLSA-N 0 1 383.901 2.085 20 30 GEEDMN N#CCN1CCC(CNC(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000331722220 647396562 /nfs/dbraw/zinc/39/65/62/647396562.db2.gz JXMFFRCEVNPCAC-UHFFFAOYSA-N 0 1 376.258 2.291 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000376275403 647840962 /nfs/dbraw/zinc/84/09/62/647840962.db2.gz PJOVFMUKRJBBRR-GFCCVEGCSA-N 0 1 384.299 2.180 20 30 GEEDMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)CCN1C ZINC000408112808 647927556 /nfs/dbraw/zinc/92/75/56/647927556.db2.gz OBCMIBKPYCRRLB-RYUDHWBXSA-N 0 1 386.315 2.424 20 30 GEEDMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CN1C1CC1 ZINC000419677348 648363175 /nfs/dbraw/zinc/36/31/75/648363175.db2.gz NZCOQVAWEPWPJG-PWSUYJOCSA-N 0 1 391.269 2.001 20 30 GEEDMN CN(C)[C@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCSC1 ZINC000443375629 648874965 /nfs/dbraw/zinc/87/49/65/648874965.db2.gz UCUBSAARNFTMOW-AWEZNQCLSA-N 0 1 393.456 2.293 20 30 GEEDMN C[C@@H](CN1CCCCC1)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000550829028 651115491 /nfs/dbraw/zinc/11/54/91/651115491.db2.gz QHRCXMXYGILJER-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN CCN1CCCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000557823091 651273974 /nfs/dbraw/zinc/27/39/74/651273974.db2.gz SOQARZGTYXQQPY-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN Fc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)ccc1N1CCOCC1 ZINC000727253978 651517005 /nfs/dbraw/zinc/51/70/05/651517005.db2.gz KJVSADIRHXFMIA-UHFFFAOYSA-N 0 1 375.351 2.444 20 30 GEEDMN CC(N=Nc1ccc(S(C)(=O)=O)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000729815983 651580807 /nfs/dbraw/zinc/58/08/07/651580807.db2.gz CBYOCQUSIPWRDZ-UHFFFAOYSA-N 0 1 381.479 2.298 20 30 GEEDMN N#C[C@]1(NC(=O)c2n[nH]c3ccc(I)cc32)CCSC1 ZINC000610291542 651654712 /nfs/dbraw/zinc/65/47/12/651654712.db2.gz VCMDBXXGJDWMLQ-CYBMUJFWSA-N 0 1 398.229 2.297 20 30 GEEDMN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)C(C)C#N ZINC000569613831 651720736 /nfs/dbraw/zinc/72/07/36/651720736.db2.gz UUMGBFDVWXFEKG-YMTOWFKASA-N 0 1 378.226 2.290 20 30 GEEDMN Cc1nc(CN2CCN(Cc3ccc(C#N)cc3Br)CC2)n[nH]1 ZINC000611500716 651726785 /nfs/dbraw/zinc/72/67/85/651726785.db2.gz SVKBGJCPDUAZPP-UHFFFAOYSA-N 0 1 375.274 2.065 20 30 GEEDMN N#Cc1c(NC(=O)c2cnc3ccc(Br)cc3c2O)n[nH]c1C1CC1 ZINC000571236814 651819620 /nfs/dbraw/zinc/81/96/20/651819620.db2.gz ASCXXTXGSINETA-UHFFFAOYSA-N 0 1 398.220 3.015 20 30 GEEDMN C=CCn1c(-c2cccs2)nnc1S(=O)(=O)[C@@H](C)c1n[nH]c(CC)n1 ZINC000656556770 652038904 /nfs/dbraw/zinc/03/89/04/652038904.db2.gz NFUPGZXEUGFPDG-JTQLQIEISA-N 0 1 378.483 2.408 20 30 GEEDMN N#CCC[C@@H](C#N)CNC[C@@H](O)COc1ccc(I)cc1 ZINC000575123531 652063688 /nfs/dbraw/zinc/06/36/88/652063688.db2.gz LSKDMHYKNXDVLO-GXTWGEPZSA-N 0 1 399.232 2.064 20 30 GEEDMN C=CC[C@H]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000625701787 652368136 /nfs/dbraw/zinc/36/81/36/652368136.db2.gz AZYYJXLWPANEGS-ZDUSSCGKSA-N 0 1 380.286 2.402 20 30 GEEDMN COc1nc(Cl)c(CN=Nc2ccc(S(=O)(=O)NC(C)C)cn2)s1 ZINC000755645314 652471289 /nfs/dbraw/zinc/47/12/89/652471289.db2.gz OBEZQFXOBMLMER-UHFFFAOYSA-N 0 1 389.890 2.333 20 30 GEEDMN C=CCc1ccccc1OC[C@@H](O)CNCc1ccc(S(C)(=O)=O)s1 ZINC000583807840 652498138 /nfs/dbraw/zinc/49/81/38/652498138.db2.gz DCNYFUXUWUJFNM-HNNXBMFYSA-N 0 1 381.519 2.410 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000756554348 652500845 /nfs/dbraw/zinc/50/08/45/652500845.db2.gz YVLCWEKCDQATHO-NWDGAFQWSA-N 0 1 399.310 2.270 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)NCCCCN1CCOCC1 ZINC000593408976 652620496 /nfs/dbraw/zinc/62/04/96/652620496.db2.gz NIRNQOCGVAXUAK-UHFFFAOYSA-N 0 1 380.286 2.092 20 30 GEEDMN Cc1cc(C[C@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000601426254 653093978 /nfs/dbraw/zinc/09/39/78/653093978.db2.gz VWSDNUMOMDGXTM-JTQLQIEISA-N 0 1 383.271 2.262 20 30 GEEDMN C=C(Br)CNC(=O)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000806548730 653168257 /nfs/dbraw/zinc/16/82/57/653168257.db2.gz HQBYOBQUHZTAKI-UHFFFAOYSA-N 0 1 395.345 2.354 20 30 GEEDMN C#C[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)[C@@H]1CCCO1 ZINC000773057968 653177558 /nfs/dbraw/zinc/17/75/58/653177558.db2.gz RZQSYLYIDGVYIN-RYUDHWBXSA-N 0 1 380.210 2.186 20 30 GEEDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@@H](C)N1CC#N ZINC000603098889 653227375 /nfs/dbraw/zinc/22/73/75/653227375.db2.gz IRHQPVRHCBFTTQ-GHMZBOCLSA-N 0 1 376.258 2.384 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000808718272 653234205 /nfs/dbraw/zinc/23/42/05/653234205.db2.gz RYFXSLCJIMNMJJ-CYBMUJFWSA-N 0 1 388.693 2.084 20 30 GEEDMN C#CCOc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000775298257 653310171 /nfs/dbraw/zinc/31/01/71/653310171.db2.gz MPABQUKXDVBNSA-UHFFFAOYSA-N 0 1 379.459 2.293 20 30 GEEDMN C#CCN1CCN(C(=O)CN[C@@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000776837210 653379317 /nfs/dbraw/zinc/37/93/17/653379317.db2.gz GAISXFYISAPMBD-KRWDZBQOSA-N 0 1 396.304 2.406 20 30 GEEDMN C[C@]1(Br)C[C@@H]1C(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000860694783 653634253 /nfs/dbraw/zinc/63/42/53/653634253.db2.gz PCOGKJOLOPPQKD-JMSVASOKSA-N 0 1 380.198 2.093 20 30 GEEDMN CN(C)S(=O)(=O)n1ccnc1C=NNc1cc(C(F)(F)F)ccc1F ZINC000814886053 653640728 /nfs/dbraw/zinc/64/07/28/653640728.db2.gz PVQPWMZCJXRCDC-UHFFFAOYSA-N 0 1 379.339 2.142 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000840951620 653703196 /nfs/dbraw/zinc/70/31/96/653703196.db2.gz CNQUMFJPNADDKO-UHFFFAOYSA-N 0 1 396.310 2.087 20 30 GEEDMN CN1CCC(C#N)(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865198067 653756846 /nfs/dbraw/zinc/75/68/46/653756846.db2.gz HARGRIHXFRVGSL-UHFFFAOYSA-N 0 1 381.230 2.004 20 30 GEEDMN C#C[C@H](NC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000820611569 653777983 /nfs/dbraw/zinc/77/79/83/653777983.db2.gz LTNFXVAJQMLBNV-ZQIUZPCESA-N 0 1 394.313 2.220 20 30 GEEDMN C[C@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)CCN1CC(C)(C)O ZINC000883103831 653827369 /nfs/dbraw/zinc/82/73/69/653827369.db2.gz HCTFYELKKBZIJI-NSHDSACASA-N 0 1 396.289 2.025 20 30 GEEDMN C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000792660173 653848433 /nfs/dbraw/zinc/84/84/33/653848433.db2.gz AWINCYNBOCTBMQ-SNVBAGLBSA-N 0 1 385.854 2.222 20 30 GEEDMN COc1cc(C#N)cc(Br)c1OS(=O)(=O)CC1(N(C)C)CC1 ZINC000866975611 653858978 /nfs/dbraw/zinc/85/89/78/653858978.db2.gz XPBUAAOCMPVJOC-UHFFFAOYSA-N 0 1 389.271 2.132 20 30 GEEDMN CC[C@@H](CC#N)NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC000867108319 653879973 /nfs/dbraw/zinc/87/99/73/653879973.db2.gz MYTOMGSEGMKLDC-PRWKNARSSA-N 0 1 394.316 2.432 20 30 GEEDMN C#CCN(C(=O)c1ccc(I)cc1[O-])C1CC[NH+](C)CC1 ZINC000886572605 653992181 /nfs/dbraw/zinc/99/21/81/653992181.db2.gz STDKMWCYPIOCCI-UHFFFAOYSA-N 0 1 398.244 2.166 20 30 GEEDMN C#CCN1CCC[C@H](N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000886662498 653994282 /nfs/dbraw/zinc/99/42/82/653994282.db2.gz FOAHSCOQMAECNQ-RYUDHWBXSA-N 0 1 390.336 2.389 20 30 GEEDMN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)S(=O)(=O)C1CCOCC1 ZINC000796752851 654007465 /nfs/dbraw/zinc/00/74/65/654007465.db2.gz KEHVASVLKBROSO-YPMHNXCESA-N 0 1 378.475 2.455 20 30 GEEDMN CC(=NNc1cc(C)ncn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797402745 654030322 /nfs/dbraw/zinc/03/03/22/654030322.db2.gz MQNNNKYHVCZSBU-UHFFFAOYSA-N 0 1 384.259 2.031 20 30 GEEDMN N#C[C@]1(C(=O)Nc2nc3ccc(I)cc3[nH]2)CCCOC1 ZINC000869293999 654084643 /nfs/dbraw/zinc/08/46/43/654084643.db2.gz DFSCAKYHBKZHQK-CQSZACIVSA-N 0 1 396.188 2.426 20 30 GEEDMN C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000799123271 654085176 /nfs/dbraw/zinc/08/51/76/654085176.db2.gz RRFQVEOGTVVKFO-UHFFFAOYSA-N 0 1 382.800 2.391 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000903150995 654221956 /nfs/dbraw/zinc/22/19/56/654221956.db2.gz ZTOKBHWIIYXPNE-UHFFFAOYSA-N 0 1 389.290 2.354 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000834494947 654330251 /nfs/dbraw/zinc/33/02/51/654330251.db2.gz REVFCFLPIZPEPL-SMDDNHRTSA-N 0 1 389.253 2.264 20 30 GEEDMN CCOc1cc(Br)c(CC(=O)N[C@H]2CNC[C@H]2C#N)cc1OCC ZINC000834512577 654331224 /nfs/dbraw/zinc/33/12/24/654331224.db2.gz YVXSJPCCNMJGTH-OCCSQVGLSA-N 0 1 396.285 2.017 20 30 GEEDMN Cc1nn(-c2ccc(C(=O)N[C@H]3CNC[C@@H]3C#N)cc2)c(C)c1Br ZINC000834516699 654331713 /nfs/dbraw/zinc/33/17/13/654331713.db2.gz KVUUWIVJDDMTQR-ZFWWWQNUSA-N 0 1 388.269 2.093 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)Cc1cccc(Br)c1 ZINC000922022085 654356039 /nfs/dbraw/zinc/35/60/39/654356039.db2.gz HFGBFYJGNGUCBE-UHFFFAOYSA-N 0 1 385.327 2.308 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000905569912 654366609 /nfs/dbraw/zinc/36/66/09/654366609.db2.gz YFXPVQUHOOZAFB-ZFWWWQNUSA-N 0 1 376.400 2.422 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000905569901 654366642 /nfs/dbraw/zinc/36/66/42/654366642.db2.gz YFXPVQUHOOZAFB-HIFRSBDPSA-N 0 1 376.400 2.422 20 30 GEEDMN N#Cc1ccc(Br)c(CN[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c1 ZINC000922135452 654370847 /nfs/dbraw/zinc/37/08/47/654370847.db2.gz RFISOBBUAASEPK-HLLBOEOZSA-N 0 1 378.270 2.237 20 30 GEEDMN Cc1c(Br)cncc1CNc1n[nH]c(N2CCOCC2)c1C#N ZINC000922362770 654387054 /nfs/dbraw/zinc/38/70/54/654387054.db2.gz QEAFFFKLMRBESV-UHFFFAOYSA-N 0 1 377.246 2.196 20 30 GEEDMN Cc1c(C)c(NC(=O)N[C@@H]2CNC[C@@H]2C#N)ccc1I ZINC000926204420 654563202 /nfs/dbraw/zinc/56/32/02/654563202.db2.gz UXCNMNCBYUDQKO-GXFFZTMASA-N 0 1 384.221 2.141 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000928653457 654654366 /nfs/dbraw/zinc/65/43/66/654654366.db2.gz MWFMLNOAAOXNST-UHFFFAOYSA-N 0 1 380.242 2.493 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccc(I)cc2NC)CC1 ZINC000928649510 654654445 /nfs/dbraw/zinc/65/44/45/654654445.db2.gz OFWDIQWXVKOJQI-UHFFFAOYSA-N 0 1 397.260 2.160 20 30 GEEDMN COC(=O)[C@](C)(O)CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942403 654794969 /nfs/dbraw/zinc/79/49/69/654794969.db2.gz HDMNSXLZDHIBHD-ACLDMZEESA-N 0 1 385.251 2.013 20 30 GEEDMN COC(=O)[C@@](C)(O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942409 654794977 /nfs/dbraw/zinc/79/49/77/654794977.db2.gz HDMNSXLZDHIBHD-OOZYFLPDSA-N 0 1 385.251 2.013 20 30 GEEDMN Cc1c(C(=O)NCC#CCN(C)C)cnn1-c1ccc(Br)cc1 ZINC000913516498 654796825 /nfs/dbraw/zinc/79/68/25/654796825.db2.gz SEZVIEKRVVIIRS-UHFFFAOYSA-N 0 1 375.270 2.238 20 30 GEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000913516948 654797038 /nfs/dbraw/zinc/79/70/38/654797038.db2.gz MKVWRJIDFGOKHX-INIZCTEOSA-N 0 1 382.291 2.279 20 30 GEEDMN CN(C)CC#CCNC(=O)c1ccc(I)cc1Cl ZINC000913518501 654797081 /nfs/dbraw/zinc/79/70/81/654797081.db2.gz RLBDEDNVCYZYNK-UHFFFAOYSA-N 0 1 376.625 2.239 20 30 GEEDMN CN(C)CC#CCNC(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000913517456 654797094 /nfs/dbraw/zinc/79/70/94/654797094.db2.gz BGVYKZDUKIWFNL-UHFFFAOYSA-N 0 1 397.298 2.174 20 30 GEEDMN CN(C)c1ccc(CN=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)s1 ZINC000914698865 654856546 /nfs/dbraw/zinc/85/65/46/654856546.db2.gz QXEDXNMPXLVMIX-UHFFFAOYSA-N 0 1 379.511 2.440 20 30 GEEDMN N#Cc1cc(Cl)c(Cl)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739727 720696704 /nfs/dbraw/zinc/69/67/04/720696704.db2.gz PAVBJKNFDVECMT-STQMWFEESA-N 0 1 391.262 2.392 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C#N)cc(Cl)n4)C3)O2)CC1 ZINC001164886194 721377981 /nfs/dbraw/zinc/37/79/81/721377981.db2.gz DPLBDDRBZNAJDP-XLIONFOSSA-N 0 1 389.931 2.372 20 30 GEEDMN COc1ccnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1C#N ZINC001164962564 722054641 /nfs/dbraw/zinc/05/46/41/722054641.db2.gz FOAVHZNIIHRDDI-UHFFFAOYSA-N 0 1 393.491 2.476 20 30 GEEDMN C=CCOc1cc(C)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979056 722119853 /nfs/dbraw/zinc/11/98/53/722119853.db2.gz OUSUYZROBLHGPB-PMACEKPBSA-N 0 1 395.507 2.472 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000155204371 531663291 /nfs/dbraw/zinc/66/32/91/531663291.db2.gz BQBZXKPYSDMMDM-CQSZACIVSA-N 0 1 384.299 2.083 20 30 GEEDMN C=CCN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000171796788 531919519 /nfs/dbraw/zinc/91/95/19/531919519.db2.gz HQSCWNHLEFHPDI-LLVKDONJSA-N 0 1 398.282 2.141 20 30 GEEDMN Cn1cc(C#N)cc1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000175951017 532120172 /nfs/dbraw/zinc/12/01/72/532120172.db2.gz ZHGNLVZHTAFALI-UHFFFAOYSA-N 0 1 385.225 2.374 20 30 GEEDMN Cn1cc(C#N)cc1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000175951017 532120176 /nfs/dbraw/zinc/12/01/76/532120176.db2.gz ZHGNLVZHTAFALI-UHFFFAOYSA-N 0 1 385.225 2.374 20 30 GEEDMN CC[C@H](C#N)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179935478 532250971 /nfs/dbraw/zinc/25/09/71/532250971.db2.gz ZBUHLCLEMZUHMX-SECBINFHSA-N 0 1 381.173 2.165 20 30 GEEDMN CCCCn1c(=O)[nH]nc1S(=O)(=O)Cc1cc(C#N)ccc1Br ZINC000191722849 532365325 /nfs/dbraw/zinc/36/53/25/532365325.db2.gz OFKWGMBQCBEWGW-UHFFFAOYSA-N 0 1 399.270 2.392 20 30 GEEDMN N#CC(C(=O)c1cc(Br)c[nH]c1=O)c1nnc2n1CCCCC2 ZINC000621706812 532366591 /nfs/dbraw/zinc/36/65/91/532366591.db2.gz COIUQSTVBQYIGK-LLVKDONJSA-N 0 1 376.214 2.358 20 30 GEEDMN C[C@@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000192128175 532387801 /nfs/dbraw/zinc/38/78/01/532387801.db2.gz PFSZPZKNAPWFHK-JTQLQIEISA-N 0 1 386.401 2.451 20 30 GEEDMN CCCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCN(C)C1 ZINC000592300288 532446933 /nfs/dbraw/zinc/44/69/33/532446933.db2.gz JNTVRKCLLCILRR-AWEZNQCLSA-N 0 1 393.285 2.202 20 30 GEEDMN CCCN(C(=O)C(=O)Nc1cccc(C#N)c1Br)[C@H]1CCN(C)C1 ZINC000592300009 532446300 /nfs/dbraw/zinc/44/63/00/532446300.db2.gz GKLZBCBTAOXERX-ZDUSSCGKSA-N 0 1 393.285 2.202 20 30 GEEDMN C[C@H]1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[N@H+]1C ZINC000592767273 532462401 /nfs/dbraw/zinc/46/24/01/532462401.db2.gz SGXSAXXQADWEDG-LRDDRELGSA-N 0 1 391.313 2.356 20 30 GEEDMN CSc1n[nH]c(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 ZINC000592757930 532460227 /nfs/dbraw/zinc/46/02/27/532460227.db2.gz UGQFMHDASJOQNC-UHFFFAOYSA-N 0 1 393.270 2.236 20 30 GEEDMN CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000595075130 532542646 /nfs/dbraw/zinc/54/26/46/532542646.db2.gz WILPCGJEDZWOHQ-CYBMUJFWSA-N 0 1 393.285 2.248 20 30 GEEDMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000595346322 532558065 /nfs/dbraw/zinc/55/80/65/532558065.db2.gz UIOXWJXTIZJUEQ-AWEZNQCLSA-N 0 1 386.315 2.426 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000284884127 532629060 /nfs/dbraw/zinc/62/90/60/532629060.db2.gz TWWWPVCHNTTXBK-YGRLFVJLSA-N 0 1 381.274 2.285 20 30 GEEDMN Cc1ccc(I)cc1C(=O)NC1(C#N)CCN(C)CC1 ZINC000531911111 532639354 /nfs/dbraw/zinc/63/93/54/532639354.db2.gz ZFZYTBUNWGLTAH-UHFFFAOYSA-N 0 1 383.233 2.317 20 30 GEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000285587196 532692900 /nfs/dbraw/zinc/69/29/00/532692900.db2.gz XGMWHNPITIZLEL-DLBZAZTESA-N 0 1 382.302 2.301 20 30 GEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000285587199 532693632 /nfs/dbraw/zinc/69/36/32/532693632.db2.gz XGMWHNPITIZLEL-SJORKVTESA-N 0 1 382.302 2.301 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCNCCOc2ccc(F)c(Cl)c2)nc1 ZINC000574392944 532713950 /nfs/dbraw/zinc/71/39/50/532713950.db2.gz IQEKYDONWQSQHB-UHFFFAOYSA-N 0 1 383.832 2.188 20 30 GEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000462075764 532800516 /nfs/dbraw/zinc/80/05/16/532800516.db2.gz SVRKUIBFTJYEMZ-GFCCVEGCSA-N 0 1 391.902 2.168 20 30 GEEDMN C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331430351 532839116 /nfs/dbraw/zinc/83/91/16/532839116.db2.gz CAZRYNCMKPBEOZ-BMIGLBTASA-N 0 1 384.299 2.082 20 30 GEEDMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331430366 532839131 /nfs/dbraw/zinc/83/91/31/532839131.db2.gz CAZRYNCMKPBEOZ-ZUZCIYMTSA-N 0 1 384.299 2.082 20 30 GEEDMN CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288943651 532842898 /nfs/dbraw/zinc/84/28/98/532842898.db2.gz XWEKSKXQJXSGJK-LBPRGKRZSA-N 0 1 395.301 2.496 20 30 GEEDMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000420730060 532886106 /nfs/dbraw/zinc/88/61/06/532886106.db2.gz CXKCBNNCOXLVDQ-LLVKDONJSA-N 0 1 390.278 2.175 20 30 GEEDMN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1OCCc2sccc21 ZINC000292386451 532915729 /nfs/dbraw/zinc/91/57/29/532915729.db2.gz KAQYDEIPLHYMGX-SJCJKPOMSA-N 0 1 377.491 2.081 20 30 GEEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000367791691 532927331 /nfs/dbraw/zinc/92/73/31/532927331.db2.gz MDLOIIIYIYHUPN-CYBMUJFWSA-N 0 1 382.306 2.118 20 30 GEEDMN C#CCN(C)CCCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000293969442 532933940 /nfs/dbraw/zinc/93/39/40/532933940.db2.gz LXRRWUZKLNZUES-HSZRJFAPSA-N 0 1 399.354 2.408 20 30 GEEDMN N#Cc1cccc([C@@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CCO2)c1 ZINC000371359413 532947721 /nfs/dbraw/zinc/94/77/21/532947721.db2.gz JGRZEJRYNXREIX-LBPRGKRZSA-N 0 1 378.504 2.391 20 30 GEEDMN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000819375019 597089457 /nfs/dbraw/zinc/08/94/57/597089457.db2.gz KVSDKWAPMBAPCX-HNNXBMFYSA-N 0 1 382.382 2.360 20 30 GEEDMN C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819824124 597646921 /nfs/dbraw/zinc/64/69/21/597646921.db2.gz XTQPVFOTZAZISX-PBHICJAKSA-N 0 1 383.370 2.400 20 30 GEEDMN CC(C)Oc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1-c1nn[nH]n1 ZINC000820178171 607376801 /nfs/dbraw/zinc/37/68/01/607376801.db2.gz JBRMTBJJQRAYQA-UHFFFAOYSA-N 0 1 384.421 2.326 20 30 GEEDMN O=C1N/C(=N/C2CCCCC2)SC1=Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000738315395 599462407 /nfs/dbraw/zinc/46/24/07/599462407.db2.gz HQVXHTXKIGVCOJ-ZSOIEALJSA-N 0 1 394.464 2.407 20 30 GEEDMN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000739103879 600566500 /nfs/dbraw/zinc/56/65/00/600566500.db2.gz CYUUNQSHMWFURB-FQEVSTJZSA-N 0 1 381.407 2.210 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2C(=O)[O-])c1C#N ZINC000818758863 601113315 /nfs/dbraw/zinc/11/33/15/601113315.db2.gz XSWBZPUADAIMDV-QGZVFWFLSA-N 0 1 384.436 2.496 20 30 GEEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000833074245 601313198 /nfs/dbraw/zinc/31/31/98/601313198.db2.gz SMOGPMJDDATJPC-LJQANCHMSA-N 0 1 399.472 2.081 20 30 GEEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000833074245 601313199 /nfs/dbraw/zinc/31/31/99/601313199.db2.gz SMOGPMJDDATJPC-LJQANCHMSA-N 0 1 399.472 2.081 20 30 GEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000833417125 604931534 /nfs/dbraw/zinc/93/15/34/604931534.db2.gz MOKPYOASGSXUOA-UKRRQHHQSA-N 0 1 396.447 2.334 20 30 GEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000833417125 604931539 /nfs/dbraw/zinc/93/15/39/604931539.db2.gz MOKPYOASGSXUOA-UKRRQHHQSA-N 0 1 396.447 2.334 20 30 GEEDMN C=CCSc1ccccc1NC(=O)CN1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC000833377725 605186677 /nfs/dbraw/zinc/18/66/77/605186677.db2.gz AFQDQZRTADYJLP-OAHLLOKOSA-N 0 1 377.510 2.384 20 30 GEEDMN N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000833967576 605370219 /nfs/dbraw/zinc/37/02/19/605370219.db2.gz RMSIEDHXAZJLOX-DOTOQJQBSA-N 0 1 385.468 2.208 20 30 GEEDMN CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826911952 605468002 /nfs/dbraw/zinc/46/80/02/605468002.db2.gz JXMTYBSOZUIWNX-UHFFFAOYSA-N 0 1 379.482 2.186 20 30 GEEDMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000834025577 605519341 /nfs/dbraw/zinc/51/93/41/605519341.db2.gz FLKICIMSOOBTHW-IEBWSBKVSA-N 0 1 387.455 2.148 20 30 GEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000833829452 605895435 /nfs/dbraw/zinc/89/54/35/605895435.db2.gz GCIJHMPKGOLOIY-UMVBOHGHSA-N 0 1 379.420 2.202 20 30 GEEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832582 605902576 /nfs/dbraw/zinc/90/25/76/605902576.db2.gz UFBNBHJLQBFCRH-IJLUTSLNSA-N 0 1 376.482 2.413 20 30 GEEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832582 605902580 /nfs/dbraw/zinc/90/25/80/605902580.db2.gz UFBNBHJLQBFCRH-IJLUTSLNSA-N 0 1 376.482 2.413 20 30 GEEDMN C=CCN1C(=O)N=NC1SCc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000819764086 607118248 /nfs/dbraw/zinc/11/82/48/607118248.db2.gz DWWRVWRDOWYQST-UHFFFAOYSA-N 0 1 395.452 2.136 20 30 GEEDMN C=CCn1c(=O)[nH]nc1SCc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000819764714 607118284 /nfs/dbraw/zinc/11/82/84/607118284.db2.gz KKHJHZNBEJUSPS-UHFFFAOYSA-N 0 1 381.368 2.244 20 30 GEEDMN CC(C)(C#N)c1ccccc1CN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000819892055 607146311 /nfs/dbraw/zinc/14/63/11/607146311.db2.gz RVDVGEDXVGMAQG-UHFFFAOYSA-N 0 1 388.479 2.385 20 30 GEEDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccccc1C(C)(C)C#N ZINC000825933427 608035961 /nfs/dbraw/zinc/03/59/61/608035961.db2.gz DJAZECFKSDKNBS-UHFFFAOYSA-N 0 1 379.472 2.038 20 30 GEEDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ccccc1C(C)(C)C#N ZINC000825933427 608035962 /nfs/dbraw/zinc/03/59/62/608035962.db2.gz DJAZECFKSDKNBS-UHFFFAOYSA-N 0 1 379.472 2.038 20 30 GEEDMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccccc1C(C)(C)C#N ZINC000825933427 608035963 /nfs/dbraw/zinc/03/59/63/608035963.db2.gz DJAZECFKSDKNBS-UHFFFAOYSA-N 0 1 379.472 2.038 20 30 GEEDMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccccc1C(C)(C)C#N ZINC000825933427 608035964 /nfs/dbraw/zinc/03/59/64/608035964.db2.gz DJAZECFKSDKNBS-UHFFFAOYSA-N 0 1 379.472 2.038 20 30 GEEDMN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553270 608464572 /nfs/dbraw/zinc/46/45/72/608464572.db2.gz AVSYEEBVTXHXGH-OAHLLOKOSA-N 0 1 375.436 2.464 20 30 GEEDMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(C#N)ccc2NC)c1 ZINC000507938153 650470105 /nfs/dbraw/zinc/47/01/05/650470105.db2.gz OAWYISSJIIIRCK-UHFFFAOYSA-N 0 1 379.463 2.194 20 30 GEEDMN CC(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000509613074 650497282 /nfs/dbraw/zinc/49/72/82/650497282.db2.gz IBVUZLIBPJINGL-UHFFFAOYSA-N 0 1 379.463 2.077 20 30 GEEDMN C=CCSCCNC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000513629132 650566629 /nfs/dbraw/zinc/56/66/29/650566629.db2.gz FIWYZHZHXYFXMD-UHFFFAOYSA-N 0 1 379.551 2.209 20 30 GEEDMN COc1ccc(CCC(=O)NC2(C#N)CCN(C)CC2)cc1Br ZINC000518535351 650606186 /nfs/dbraw/zinc/60/61/86/650606186.db2.gz KRVLXBXLNVDESO-UHFFFAOYSA-N 0 1 380.286 2.494 20 30 GEEDMN N#CC1(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCOCC1 ZINC000522984169 650630726 /nfs/dbraw/zinc/63/07/26/650630726.db2.gz HINLCKJSPIIGIB-UHFFFAOYSA-N 0 1 376.214 2.493 20 30 GEEDMN CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@]2(C)Br)cc1 ZINC000528925623 650699221 /nfs/dbraw/zinc/69/92/21/650699221.db2.gz VTWXIAJTWJTZAX-IIYDPXPESA-N 0 1 392.253 2.209 20 30 GEEDMN CC(C)(O)CN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487847299 650738753 /nfs/dbraw/zinc/73/87/53/650738753.db2.gz ZVOYDVUCOISRLF-UHFFFAOYSA-N 0 1 381.274 2.241 20 30 GEEDMN COc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1I ZINC000532422038 650747570 /nfs/dbraw/zinc/74/75/70/650747570.db2.gz UPPCQSKTIQKDGP-UHFFFAOYSA-N 0 1 399.232 2.018 20 30 GEEDMN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(Cl)c1O ZINC000532628768 650751250 /nfs/dbraw/zinc/75/12/50/650751250.db2.gz QUYGGGUMTCGODY-SNVBAGLBSA-N 0 1 379.825 2.223 20 30 GEEDMN CN1N=C(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)CCC1=O ZINC000063497260 642859300 /nfs/dbraw/zinc/85/93/00/642859300.db2.gz LEODAHPPAWVTKV-UHFFFAOYSA-N 0 1 377.202 2.430 20 30 GEEDMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000107308589 643254007 /nfs/dbraw/zinc/25/40/07/643254007.db2.gz GEKSKMVPFBCAFX-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H](C)S1 ZINC000539368897 650843351 /nfs/dbraw/zinc/84/33/51/650843351.db2.gz WMFBRRHSVQEAMV-XHSDSOJGSA-N 0 1 378.567 2.283 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)CNC(=O)c2ccc(Br)s2)c1 ZINC000176817774 644406360 /nfs/dbraw/zinc/40/63/60/644406360.db2.gz QFJAQERBIHCJIZ-UHFFFAOYSA-N 0 1 380.223 2.456 20 30 GEEDMN C[C@H]1CCCCN1CC(N)=NOCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000177593002 644420059 /nfs/dbraw/zinc/42/00/59/644420059.db2.gz CEYUIMIMXCOUAN-LBPRGKRZSA-N 0 1 375.441 2.346 20 30 GEEDMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(C#N)cc2OC)c1 ZINC000546707881 651007349 /nfs/dbraw/zinc/00/73/49/651007349.db2.gz ZSABYFXWBKAHDP-UHFFFAOYSA-N 0 1 380.447 2.161 20 30 GEEDMN C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000264513640 645687681 /nfs/dbraw/zinc/68/76/81/645687681.db2.gz JGHGRDXTPVROQT-LLVKDONJSA-N 0 1 378.479 2.177 20 30 GEEDMN CC(C)c1nc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)n[nH]1 ZINC000295445813 647232265 /nfs/dbraw/zinc/23/22/65/647232265.db2.gz YTNUXSUMTILAAA-UHFFFAOYSA-N 0 1 384.259 2.041 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1N(C)C ZINC000330578693 647346342 /nfs/dbraw/zinc/34/63/42/647346342.db2.gz JNOBEMMJEZZOCG-OLZOCXBDSA-N 0 1 393.456 2.243 20 30 GEEDMN N#Cc1ccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000367577616 647739455 /nfs/dbraw/zinc/73/94/55/647739455.db2.gz CZCGACBOWJNVPX-JKSUJKDBSA-N 0 1 393.285 2.384 20 30 GEEDMN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2NS(C)(=O)=O)ccc1C#N ZINC000435716433 648785967 /nfs/dbraw/zinc/78/59/67/648785967.db2.gz VHDCLNOWLHTXET-UHFFFAOYSA-N 0 1 383.426 2.178 20 30 GEEDMN N#CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436821480 648795124 /nfs/dbraw/zinc/79/51/24/648795124.db2.gz XESYLFKOAZLBGR-UHFFFAOYSA-N 0 1 379.825 2.490 20 30 GEEDMN COC1CCN(C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443066813 648858910 /nfs/dbraw/zinc/85/89/10/648858910.db2.gz IAZBOGQLOYJWBR-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN CN(C)[C@@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CCSC1 ZINC000443375630 648874947 /nfs/dbraw/zinc/87/49/47/648874947.db2.gz UCUBSAARNFTMOW-CQSZACIVSA-N 0 1 393.456 2.293 20 30 GEEDMN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC)CC1 ZINC000558455054 651280149 /nfs/dbraw/zinc/28/01/49/651280149.db2.gz QYOSWXNEYFLQHQ-UHFFFAOYSA-N 0 1 379.306 2.374 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1Br ZINC000725727608 651478852 /nfs/dbraw/zinc/47/88/52/651478852.db2.gz XRQWBIBQAKZOTL-UHFFFAOYSA-N 0 1 392.232 2.454 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cc(C)[nH]n1 ZINC000609594733 651625960 /nfs/dbraw/zinc/62/59/60/651625960.db2.gz FKSMSIGQYKHXAG-UHFFFAOYSA-N 0 1 393.241 2.446 20 30 GEEDMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000618998171 652041508 /nfs/dbraw/zinc/04/15/08/652041508.db2.gz IMGIXWNMNIRXEF-CYBMUJFWSA-N 0 1 386.315 2.473 20 30 GEEDMN COC(=O)c1cc(NS(=O)(=O)c2cncc(C#N)c2)ccc1Br ZINC000576320613 652105576 /nfs/dbraw/zinc/10/55/76/652105576.db2.gz DVAWEFBBWCKJEM-UHFFFAOYSA-N 0 1 396.222 2.303 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000748672594 652210777 /nfs/dbraw/zinc/21/07/77/652210777.db2.gz YEOJXTFHKJFZOW-UHFFFAOYSA-N 0 1 376.400 2.351 20 30 GEEDMN COC1CCN(C2(CNS(=O)(=O)c3ccc(C#N)s3)CCCC2)CC1 ZINC000578516496 652276089 /nfs/dbraw/zinc/27/60/89/652276089.db2.gz IALBJAMFQSSAQM-UHFFFAOYSA-N 0 1 383.539 2.322 20 30 GEEDMN N#Cc1cnn2c1NC[C@@H](CN1CCN(Cc3ccc(Cl)s3)CC1)C2 ZINC000580565071 652383939 /nfs/dbraw/zinc/38/39/39/652383939.db2.gz TZRLAPKVAMUNAT-ZDUSSCGKSA-N 0 1 376.917 2.329 20 30 GEEDMN C[N@H+]1CCCC(N=Nc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)CC1 ZINC000758117096 652530891 /nfs/dbraw/zinc/53/08/91/652530891.db2.gz JHMJECYXSPMUOO-UHFFFAOYSA-N 0 1 380.499 2.223 20 30 GEEDMN N#Cc1csc(CNC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000589313576 652565448 /nfs/dbraw/zinc/56/54/48/652565448.db2.gz AZEQFHDEZIXHEQ-UHFFFAOYSA-N 0 1 376.507 2.099 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000759322876 652569218 /nfs/dbraw/zinc/56/92/18/652569218.db2.gz ASYHADNNDBLLGG-AWEZNQCLSA-N 0 1 389.253 2.284 20 30 GEEDMN N#CC[C@]1(O)CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592150959 652589447 /nfs/dbraw/zinc/58/94/47/652589447.db2.gz KYOKEWJFJIXWNB-DOMZBBRYSA-N 0 1 389.677 2.193 20 30 GEEDMN COCCN1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593421669 652620882 /nfs/dbraw/zinc/62/08/82/652620882.db2.gz WRWMHYYQJGKVTR-UHFFFAOYSA-N 0 1 380.286 2.044 20 30 GEEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000637376071 652854100 /nfs/dbraw/zinc/85/41/00/652854100.db2.gz DLZDMPZPWQUCNN-AWEZNQCLSA-N 0 1 384.933 2.439 20 30 GEEDMN Cc1cc(OS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)ccc1C#N ZINC000766179594 652870036 /nfs/dbraw/zinc/87/00/36/652870036.db2.gz VFMDKRJMTYJQBZ-UHFFFAOYSA-N 0 1 384.410 2.145 20 30 GEEDMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000601427732 653094290 /nfs/dbraw/zinc/09/42/90/653094290.db2.gz FVDUSYNDIHRJDF-UHFFFAOYSA-N 0 1 386.315 2.426 20 30 GEEDMN C=C(Br)CNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000769077886 653142530 /nfs/dbraw/zinc/14/25/30/653142530.db2.gz SVZOCBOFLUHFSM-JKSUJKDBSA-N 0 1 382.302 2.077 20 30 GEEDMN C=C(Cl)COc1ccc([C@@H](C)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000772948421 653173497 /nfs/dbraw/zinc/17/34/97/653173497.db2.gz WOFWBQPOIAMHSF-OAHLLOKOSA-N 0 1 388.917 2.131 20 30 GEEDMN N#CCCn1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807512858 653197190 /nfs/dbraw/zinc/19/71/90/653197190.db2.gz MHONLIWFNSIVCF-UHFFFAOYSA-N 0 1 382.207 2.064 20 30 GEEDMN COc1ncc(C=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)s1 ZINC000812225035 653418013 /nfs/dbraw/zinc/41/80/13/653418013.db2.gz PGFYPCPQZNIXCL-UHFFFAOYSA-N 0 1 381.483 2.167 20 30 GEEDMN C#CC[C@H](CCOC)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000859425171 653462986 /nfs/dbraw/zinc/46/29/86/653462986.db2.gz ZSGWDNHETPIXEZ-SECBINFHSA-N 0 1 382.226 2.434 20 30 GEEDMN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000878010850 653626327 /nfs/dbraw/zinc/62/63/27/653626327.db2.gz NINVZEIKVDNNMY-CQSZACIVSA-N 0 1 380.242 2.491 20 30 GEEDMN COC(=O)[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)O1 ZINC000860472666 653627930 /nfs/dbraw/zinc/62/79/30/653627930.db2.gz CEWNAPUUHXAZSM-WQAKAFBOSA-N 0 1 385.203 2.361 20 30 GEEDMN CN(C)S(=O)(=O)n1ccnc1C=NNc1c(Cl)cc(F)cc1Cl ZINC000814890858 653640881 /nfs/dbraw/zinc/64/08/81/653640881.db2.gz CKPLVXDSMZFGCL-UHFFFAOYSA-N 0 1 380.232 2.430 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000840951643 653703159 /nfs/dbraw/zinc/70/31/59/653703159.db2.gz DAPNEXWFJJTDMA-UHFFFAOYSA-N 0 1 389.290 2.354 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000841031730 653705597 /nfs/dbraw/zinc/70/55/97/653705597.db2.gz VYZUCKQOPWVYQL-HQJQHLMTSA-N 0 1 390.612 2.178 20 30 GEEDMN CCOc1cc(Br)c(NC(=O)N[C@H]2CNC[C@@H]2C#N)cc1OCC ZINC000841082419 653706078 /nfs/dbraw/zinc/70/60/78/653706078.db2.gz KXZDDWYEBVJUNY-GWCFXTLKSA-N 0 1 397.273 2.480 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CN(C)CCN2C)s1 ZINC000819271920 653747820 /nfs/dbraw/zinc/74/78/20/653747820.db2.gz XRRDEJVHGTWEMZ-ZDUSSCGKSA-N 0 1 388.990 2.201 20 30 GEEDMN C#CCNC(=O)CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000788821871 653764992 /nfs/dbraw/zinc/76/49/92/653764992.db2.gz XHLQBIPEZPRMSD-UHFFFAOYSA-N 0 1 381.255 2.084 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000789404484 653774282 /nfs/dbraw/zinc/77/42/82/653774282.db2.gz VZDHLKJHGYJVGE-CYBMUJFWSA-N 0 1 382.258 2.035 20 30 GEEDMN C#C[C@H](NC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000820612712 653778452 /nfs/dbraw/zinc/77/84/52/653778452.db2.gz ZYGUMJMVEWENBA-ZQIUZPCESA-N 0 1 394.313 2.220 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000844194377 653802997 /nfs/dbraw/zinc/80/29/97/653802997.db2.gz FWHZRZMICDMSPV-IAQYHMDHSA-N 0 1 376.869 2.146 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000844194054 653803094 /nfs/dbraw/zinc/80/30/94/653803094.db2.gz VTYJDYDHHWYWFH-BXUZGUMPSA-N 0 1 391.294 2.343 20 30 GEEDMN COCCN1[C@H](C)CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000846279203 653894468 /nfs/dbraw/zinc/89/44/68/653894468.db2.gz XCPJIWIRENUHSH-OKILXGFUSA-N 0 1 394.313 2.431 20 30 GEEDMN CCc1[nH]nc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1Br ZINC000846329410 653895717 /nfs/dbraw/zinc/89/57/17/653895717.db2.gz OHZDNWLCNFGCJN-ZDUSSCGKSA-N 0 1 377.242 2.412 20 30 GEEDMN N#Cc1ccc(NCCNCc2sc(N3CCOCC3)nc2Cl)nc1 ZINC000897396587 653919197 /nfs/dbraw/zinc/91/91/97/653919197.db2.gz NYWPAIKMUMTQOZ-UHFFFAOYSA-N 0 1 378.889 2.101 20 30 GEEDMN C#CCN1CCC[C@@H](N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000886662708 653994284 /nfs/dbraw/zinc/99/42/84/653994284.db2.gz KGVQRULRMWPJJI-ZBFHGGJFSA-N 0 1 397.338 2.355 20 30 GEEDMN N#CC(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1 ZINC000796770616 654008133 /nfs/dbraw/zinc/00/81/33/654008133.db2.gz DVNMVEHWZZJEKH-HNNXBMFYSA-N 0 1 382.869 2.225 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCCc3[nH]ncc32)c(=O)c1C#N ZINC000798130427 654051259 /nfs/dbraw/zinc/05/12/59/654051259.db2.gz RCJWQPYDFSKJAI-SNVBAGLBSA-N 0 1 390.241 2.013 20 30 GEEDMN COC(=O)CCN(CC#N)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000871340488 654227993 /nfs/dbraw/zinc/22/79/93/654227993.db2.gz AQKYDLGCOIWLQK-UHFFFAOYSA-N 0 1 391.225 2.368 20 30 GEEDMN N#CCSCCCN1CCC(n2nncc2I)CC1 ZINC000852533105 654246927 /nfs/dbraw/zinc/24/69/27/654246927.db2.gz UQWWTEMNKRZCHS-UHFFFAOYSA-N 0 1 391.282 2.166 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000834479446 654328774 /nfs/dbraw/zinc/32/87/74/654328774.db2.gz DNJVHPXEKDAZGB-SKDRFNHKSA-N 0 1 379.283 2.219 20 30 GEEDMN C[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)N1CCCCC1 ZINC000804961101 654328921 /nfs/dbraw/zinc/32/89/21/654328921.db2.gz IELDXBYNIUGCMV-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000834505672 654330783 /nfs/dbraw/zinc/33/07/83/654330783.db2.gz MQOWDSKMCQAIIS-JSGCOSHPSA-N 0 1 378.263 2.388 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000834505764 654330848 /nfs/dbraw/zinc/33/08/48/654330848.db2.gz NQJHZAABAWUKEX-WPRPVWTQSA-N 0 1 378.148 2.189 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC000922023153 654355975 /nfs/dbraw/zinc/35/59/75/654355975.db2.gz AEDFMMDNGJHWGT-UHFFFAOYSA-N 0 1 385.873 2.275 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000922021706 654356080 /nfs/dbraw/zinc/35/60/80/654356080.db2.gz DBULSFVEZQTDLP-UHFFFAOYSA-N 0 1 389.836 2.105 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1Br ZINC000922025362 654356833 /nfs/dbraw/zinc/35/68/33/654356833.db2.gz GTKCIJLUIFKRMP-UHFFFAOYSA-N 0 1 385.327 2.476 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)Cc1ccsc1Br ZINC000922025835 654356945 /nfs/dbraw/zinc/35/69/45/654356945.db2.gz OWIIQXZYVXPWHK-UHFFFAOYSA-N 0 1 391.356 2.370 20 30 GEEDMN C#CCO[C@@H](C)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000835291667 654378351 /nfs/dbraw/zinc/37/83/51/654378351.db2.gz ZLFRFNGDUDIUSY-NSHDSACASA-N 0 1 378.226 2.240 20 30 GEEDMN C#CCO[C@@H](C)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000835291667 654378353 /nfs/dbraw/zinc/37/83/53/654378353.db2.gz ZLFRFNGDUDIUSY-NSHDSACASA-N 0 1 378.226 2.240 20 30 GEEDMN C#CCN1CCC(NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000922360769 654386496 /nfs/dbraw/zinc/38/64/96/654386496.db2.gz NFAARCIDNBLOIW-OAHLLOKOSA-N 0 1 396.260 2.419 20 30 GEEDMN CN1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000872663568 654387304 /nfs/dbraw/zinc/38/73/04/654387304.db2.gz KJUOYOPQBMSRQS-LSDHHAIUSA-N 0 1 384.299 2.178 20 30 GEEDMN C#CCN1CCC(NC(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000923508846 654458454 /nfs/dbraw/zinc/45/84/54/654458454.db2.gz XFCJXNASHHEMGM-CGTJXYLNSA-N 0 1 388.309 2.484 20 30 GEEDMN C#CCN1CCC(NC(=O)N[C@H]2[C@@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 ZINC000923617890 654472395 /nfs/dbraw/zinc/47/23/95/654472395.db2.gz PZRIPNXSJOLZJD-SQNIBIBYSA-N 0 1 388.309 2.484 20 30 GEEDMN C#CCN1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000923935213 654489659 /nfs/dbraw/zinc/48/96/59/654489659.db2.gz BOBVXCBGJSIPJF-FGTMMUONSA-N 0 1 388.309 2.484 20 30 GEEDMN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)c2[nH]c(C)nc2C)n1 ZINC000856864556 654498406 /nfs/dbraw/zinc/49/84/06/654498406.db2.gz GEULRUIGLGXPIS-UHFFFAOYSA-N 0 1 375.483 2.392 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219512 654563576 /nfs/dbraw/zinc/56/35/76/654563576.db2.gz POIOKUYOWSGWMG-WRWORJQWSA-N 0 1 390.612 2.178 20 30 GEEDMN C#CCN1CCC(NC(=O)COc2ccc(Br)cc2C(C)=O)CC1 ZINC000928653394 654654386 /nfs/dbraw/zinc/65/43/86/654654386.db2.gz KYWPGIRMDQWANJ-UHFFFAOYSA-N 0 1 393.281 2.244 20 30 GEEDMN C#CCN1CCC(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000928657020 654654835 /nfs/dbraw/zinc/65/48/35/654654835.db2.gz MLLOVFIHSHZABN-LBPRGKRZSA-N 0 1 382.291 2.326 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccc(I)cc2OC)CC1 ZINC000928659846 654655117 /nfs/dbraw/zinc/65/51/17/654655117.db2.gz AIHNAWLQGNPXFI-UHFFFAOYSA-N 0 1 398.244 2.127 20 30 GEEDMN N#CC[C@@H](O)CN1CCC(Oc2ccccc2I)CC1 ZINC000929801710 654692246 /nfs/dbraw/zinc/69/22/46/654692246.db2.gz XSKSGKLZANONNJ-GFCCVEGCSA-N 0 1 386.233 2.409 20 30 GEEDMN N#Cc1cc(C#N)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164865777 721086708 /nfs/dbraw/zinc/08/67/08/721086708.db2.gz PLAGITLFKMTQLQ-ZWKOTPCHSA-N 0 1 394.866 2.353 20 30 GEEDMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)c(C#N)cc4C#N)C[C@@H]3C2)cn1 ZINC001164769883 721128736 /nfs/dbraw/zinc/12/87/36/721128736.db2.gz PXTGGJFGQONMHB-YOEHRIQHSA-N 0 1 381.871 2.170 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(C#N)c[nH]c5n4)C3)O2)CC1 ZINC001164889836 721418238 /nfs/dbraw/zinc/41/82/38/721418238.db2.gz RQEVOBHHEUFGNS-AVRDEDQJSA-N 0 1 394.523 2.200 20 30 GEEDMN N#Cc1nc(Cl)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C#N ZINC001164903850 721534423 /nfs/dbraw/zinc/53/44/23/721534423.db2.gz DGWYYRBOWSPNJI-ZFWWWQNUSA-N 0 1 398.829 2.354 20 30 GEEDMN N#CCc1cncc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164961706 722058851 /nfs/dbraw/zinc/05/88/51/722058851.db2.gz OKTOYTWRWVHAJJ-UHFFFAOYSA-N 0 1 378.480 2.057 20 30 GEEDMN N#Cc1cnc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981753 722106655 /nfs/dbraw/zinc/10/66/55/722106655.db2.gz MFPUMOHTQGPUTM-NVXWUHKLSA-N 0 1 384.871 2.124 20 30 GEEDMN CNC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000153969459 531614952 /nfs/dbraw/zinc/61/49/52/531614952.db2.gz VLYYEJLLBBNWME-UHFFFAOYSA-N 0 1 394.250 2.481 20 30 GEEDMN C=CCNC(=O)NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000060385122 531840706 /nfs/dbraw/zinc/84/07/06/531840706.db2.gz RWILMOOFMJQCIX-UHFFFAOYSA-N 0 1 381.845 2.238 20 30 GEEDMN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1cccs1 ZINC000173324196 532004305 /nfs/dbraw/zinc/00/43/05/532004305.db2.gz JUNKLCJIFFKIQE-SUMWQHHRSA-N 0 1 376.507 2.376 20 30 GEEDMN N#Cc1ccc(CNC[C@H](O)COc2ccc(I)cc2)o1 ZINC000174340989 532061449 /nfs/dbraw/zinc/06/14/49/532061449.db2.gz NIZXCWIAEFQUBE-LBPRGKRZSA-N 0 1 398.200 2.285 20 30 GEEDMN CN(CCC#N)C(=O)CCN(CCO)Cc1cc(Br)ccc1F ZINC000131475965 532198036 /nfs/dbraw/zinc/19/80/36/532198036.db2.gz RLUOOMUPTTVJRJ-UHFFFAOYSA-N 0 1 386.265 2.145 20 30 GEEDMN Cc1cccc(S(=O)(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)c1C#N ZINC000137654161 532290454 /nfs/dbraw/zinc/29/04/54/532290454.db2.gz ZHNSJTHMGQXMSR-UHFFFAOYSA-N 0 1 382.438 2.351 20 30 GEEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(S(C)(=O)=O)c2)n1 ZINC000516795287 532391155 /nfs/dbraw/zinc/39/11/55/532391155.db2.gz CJMNPPOJGVQYIR-LBPRGKRZSA-N 0 1 378.431 2.213 20 30 GEEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(S(C)(=O)=O)c2)n1 ZINC000516795287 532391160 /nfs/dbraw/zinc/39/11/60/532391160.db2.gz CJMNPPOJGVQYIR-LBPRGKRZSA-N 0 1 378.431 2.213 20 30 GEEDMN C[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1 ZINC000192179810 532391875 /nfs/dbraw/zinc/39/18/75/532391875.db2.gz DOSKWOSYWGJFIV-HOTGVXAUSA-N 0 1 378.567 2.284 20 30 GEEDMN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)C1 ZINC000625349978 532419514 /nfs/dbraw/zinc/41/95/14/532419514.db2.gz IPLBZQZRECSTJM-ZDUSSCGKSA-N 0 1 388.511 2.044 20 30 GEEDMN CN1CCC[C@H](CNS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1cccs1 ZINC000518843017 532446669 /nfs/dbraw/zinc/44/66/69/532446669.db2.gz QDFOINXITSDNBN-PBHICJAKSA-N 0 1 376.507 2.376 20 30 GEEDMN N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2CC=CCC2)C1 ZINC000592796445 532466640 /nfs/dbraw/zinc/46/66/40/532466640.db2.gz XDCBDHXWILBMMM-UHFFFAOYSA-N 0 1 389.297 2.135 20 30 GEEDMN N#Cc1ccc(OCC(=O)NCc2n[nH]c(C3CC3)n2)cc1Br ZINC000520341458 532490645 /nfs/dbraw/zinc/49/06/45/532490645.db2.gz CWMMZNSKHDQEFR-UHFFFAOYSA-N 0 1 376.214 2.011 20 30 GEEDMN C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN1CC(C)(C)O ZINC000593638313 532491348 /nfs/dbraw/zinc/49/13/48/532491348.db2.gz QQJLWVJOISKYMP-ZDUSSCGKSA-N 0 1 394.313 2.167 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCOc2c(Br)cccc21 ZINC000283573908 532545537 /nfs/dbraw/zinc/54/55/37/532545537.db2.gz QODYOGNWFJSUMT-GXFFZTMASA-N 0 1 382.258 2.263 20 30 GEEDMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000296467455 532522739 /nfs/dbraw/zinc/52/27/39/532522739.db2.gz XRBKSBLPJGXWTL-NSHDSACASA-N 0 1 390.278 2.175 20 30 GEEDMN Cn1cc(-c2nn(C)cc2NS(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000432352199 532534764 /nfs/dbraw/zinc/53/47/64/532534764.db2.gz WIQJMRYTDBXCQT-UHFFFAOYSA-N 0 1 376.829 2.146 20 30 GEEDMN C[C@H](NC[C@@H](O)CN(C)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000566673754 532623836 /nfs/dbraw/zinc/62/38/36/532623836.db2.gz ZHOUQCIVLKYNAU-QWHCGFSZSA-N 0 1 398.301 2.077 20 30 GEEDMN C=CCCSCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000597971068 532635426 /nfs/dbraw/zinc/63/54/26/532635426.db2.gz PSSPDYJPTKLHQE-UHFFFAOYSA-N 0 1 384.523 2.216 20 30 GEEDMN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1O ZINC000532015626 532643119 /nfs/dbraw/zinc/64/31/19/532643119.db2.gz HVUJYBIOIFMUTI-JTQLQIEISA-N 0 1 379.825 2.223 20 30 GEEDMN N#Cc1ccc(CNCCS(=O)(=O)NCC2CCC2)c(C(F)(F)F)c1 ZINC000569512153 532696927 /nfs/dbraw/zinc/69/69/27/532696927.db2.gz BXEDSROAJKEKEH-UHFFFAOYSA-N 0 1 375.416 2.386 20 30 GEEDMN C[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CCN1CCO ZINC000440656911 532719524 /nfs/dbraw/zinc/71/95/24/532719524.db2.gz CMEUZOOGXWTNOV-GFCCVEGCSA-N 0 1 375.270 2.372 20 30 GEEDMN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000582810890 532762112 /nfs/dbraw/zinc/76/21/12/532762112.db2.gz XWCZFGKCGRJPDN-UHFFFAOYSA-N 0 1 392.294 2.326 20 30 GEEDMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cccc(C#N)c2Br)C1 ZINC000451612935 532766315 /nfs/dbraw/zinc/76/63/15/532766315.db2.gz QMHAJVRXPLNMMC-YPMHNXCESA-N 0 1 390.241 2.350 20 30 GEEDMN N#CCCCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000542381498 532770498 /nfs/dbraw/zinc/77/04/98/532770498.db2.gz BUWBRIRURDCGLJ-UHFFFAOYSA-N 0 1 381.173 2.166 20 30 GEEDMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287050406 532780883 /nfs/dbraw/zinc/78/08/83/532780883.db2.gz ABRNRUSVLKXJSB-GFCCVEGCSA-N 0 1 380.290 2.078 20 30 GEEDMN O=C(CN1CCSC[C@@H]1CO)Nc1cccc(CN2CCSCC2)c1 ZINC000329610143 532809528 /nfs/dbraw/zinc/80/95/28/532809528.db2.gz BYNUFMRQLLMAOJ-KRWDZBQOSA-N 0 1 381.567 2.233 20 30 GEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000462069975 532800135 /nfs/dbraw/zinc/80/01/35/532800135.db2.gz JEUDGFSNBGOVTQ-LBPRGKRZSA-N 0 1 393.918 2.414 20 30 GEEDMN C[C@@H](CN1CCCCC1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000330481656 532819356 /nfs/dbraw/zinc/81/93/56/532819356.db2.gz RZZNOJMSKHVSOF-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cc(Br)ncc1F ZINC000273824926 532835267 /nfs/dbraw/zinc/83/52/67/532835267.db2.gz DSLROTIUJQZAPT-IRUFBXEESA-N 0 1 383.221 2.160 20 30 GEEDMN C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000331600590 532841708 /nfs/dbraw/zinc/84/17/08/532841708.db2.gz ZEFMPTZJBMQHBR-YGRLFVJLSA-N 0 1 384.299 2.082 20 30 GEEDMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CN1C1CC1 ZINC000294052020 532935189 /nfs/dbraw/zinc/93/51/89/532935189.db2.gz JNSHDOYVTFTKDK-ZWNOBZJWSA-N 0 1 391.269 2.001 20 30 GEEDMN Cn1cc(-c2cc(NS(=O)(=O)c3cccc(Cl)c3C#N)n(C)n2)cn1 ZINC000368468950 532932820 /nfs/dbraw/zinc/93/28/20/532932820.db2.gz GOPFRLFHVPIQOR-UHFFFAOYSA-N 0 1 376.829 2.146 20 30 GEEDMN CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000819772952 607254785 /nfs/dbraw/zinc/25/47/85/607254785.db2.gz NKCGUAOQVHBKQC-UHFFFAOYSA-N 0 1 377.452 2.217 20 30 GEEDMN N#Cc1ccc(-c2nnc(Cn3cc(-c4nn[nH]n4)c(=O)c4ccccc43)o2)cc1 ZINC000737707892 599167709 /nfs/dbraw/zinc/16/77/09/599167709.db2.gz ABIMKXHJMUAGCM-UHFFFAOYSA-N 0 1 396.370 2.152 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2cnc3ccc(Br)cn23)o1 ZINC000737467997 599367952 /nfs/dbraw/zinc/36/79/52/599367952.db2.gz VMUDGCUVJGSXEZ-UHFFFAOYSA-N 0 1 388.189 2.019 20 30 GEEDMN Brc1ccc(NN=Cc2cnc3ccc(-c4nn[nH]n4)cn23)nc1 ZINC000735368084 599457283 /nfs/dbraw/zinc/45/72/83/599457283.db2.gz FCQLIQZJGOVVSD-UHFFFAOYSA-N 0 1 384.201 2.118 20 30 GEEDMN N#C[C@H](C(=O)C[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1nc2ccccc2c(=O)[nH]1 ZINC000739074788 599711957 /nfs/dbraw/zinc/71/19/57/599711957.db2.gz LRHMQCCYFIYUHB-YVVXQTMVSA-N 0 1 394.431 2.229 20 30 GEEDMN C[C@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)N1CC[NH+](C)CC1 ZINC000736218793 599807256 /nfs/dbraw/zinc/80/72/56/599807256.db2.gz SPWVLXXJPXQDEH-QGZVFWFLSA-N 0 1 391.471 2.359 20 30 GEEDMN COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC000737882075 600261840 /nfs/dbraw/zinc/26/18/40/600261840.db2.gz XFQMRPNCKCUOAF-MSOLQXFVSA-N 0 1 382.416 2.166 20 30 GEEDMN COc1cc(C[N@H+]2C[C@H](O)C[C@H]2C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC000737882075 600261843 /nfs/dbraw/zinc/26/18/43/600261843.db2.gz XFQMRPNCKCUOAF-MSOLQXFVSA-N 0 1 382.416 2.166 20 30 GEEDMN Cc1ccc(OCC(=O)N2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738637919 600566450 /nfs/dbraw/zinc/56/64/50/600566450.db2.gz BPPVOAJISVCFCW-NRFANRHFSA-N 0 1 393.443 2.216 20 30 GEEDMN CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC000829781223 600879678 /nfs/dbraw/zinc/87/96/78/600879678.db2.gz RNYSAJUDWLPXKF-HXUWFJFHSA-N 0 1 378.428 2.444 20 30 GEEDMN CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC000829781223 600879680 /nfs/dbraw/zinc/87/96/80/600879680.db2.gz RNYSAJUDWLPXKF-HXUWFJFHSA-N 0 1 378.428 2.444 20 30 GEEDMN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000832877235 601016770 /nfs/dbraw/zinc/01/67/70/601016770.db2.gz SFZACEHRSREHDP-KRWDZBQOSA-N 0 1 375.494 2.442 20 30 GEEDMN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000832877235 601016773 /nfs/dbraw/zinc/01/67/73/601016773.db2.gz SFZACEHRSREHDP-KRWDZBQOSA-N 0 1 375.494 2.442 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1C#N ZINC000738252681 601033135 /nfs/dbraw/zinc/03/31/35/601033135.db2.gz HOZLEVDRHCRAMW-HNNXBMFYSA-N 0 1 384.436 2.353 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1C#N ZINC000738252681 601033138 /nfs/dbraw/zinc/03/31/38/601033138.db2.gz HOZLEVDRHCRAMW-HNNXBMFYSA-N 0 1 384.436 2.353 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC000833063746 601049043 /nfs/dbraw/zinc/04/90/43/601049043.db2.gz AEYNROLUKPQZDE-MRXNPFEDSA-N 0 1 394.431 2.179 20 30 GEEDMN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000739584765 601969425 /nfs/dbraw/zinc/96/94/25/601969425.db2.gz MLQIAOQAHQNLQQ-LSDHHAIUSA-N 0 1 379.420 2.298 20 30 GEEDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000739584765 601969427 /nfs/dbraw/zinc/96/94/27/601969427.db2.gz MLQIAOQAHQNLQQ-LSDHHAIUSA-N 0 1 379.420 2.298 20 30 GEEDMN N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CCC(NC(=O)[O-])CC3)CC2)cc1 ZINC000740312345 602358881 /nfs/dbraw/zinc/35/88/81/602358881.db2.gz FSPRUPPMFUJEFB-UHFFFAOYSA-N 0 1 384.480 2.419 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CCC(NC(=O)[O-])CC3)CC2)cc1 ZINC000740312345 602358883 /nfs/dbraw/zinc/35/88/83/602358883.db2.gz FSPRUPPMFUJEFB-UHFFFAOYSA-N 0 1 384.480 2.419 20 30 GEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000833419626 604862828 /nfs/dbraw/zinc/86/28/28/604862828.db2.gz IHANWZSWCQVVNB-KRWDZBQOSA-N 0 1 398.463 2.103 20 30 GEEDMN Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833923505 605322603 /nfs/dbraw/zinc/32/26/03/605322603.db2.gz ZXINMOOPRDEVTJ-OKZBNKHCSA-N 0 1 380.452 2.451 20 30 GEEDMN N#CCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000833966663 605364934 /nfs/dbraw/zinc/36/49/34/605364934.db2.gz CGROTEHXANASIV-RBUKOAKNSA-N 0 1 384.480 2.223 20 30 GEEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832581 605902869 /nfs/dbraw/zinc/90/28/69/605902869.db2.gz UFBNBHJLQBFCRH-GRYCIOLGSA-N 0 1 376.482 2.413 20 30 GEEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832581 605902871 /nfs/dbraw/zinc/90/28/71/605902871.db2.gz UFBNBHJLQBFCRH-GRYCIOLGSA-N 0 1 376.482 2.413 20 30 GEEDMN COC(=O)[C@@H](C)Oc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[nH]n2)cc1 ZINC000821641012 606918317 /nfs/dbraw/zinc/91/83/17/606918317.db2.gz UEIGGMZMZUZSOT-LLVKDONJSA-N 0 1 399.411 2.364 20 30 GEEDMN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821586239 607114407 /nfs/dbraw/zinc/11/44/07/607114407.db2.gz PNITXJPFNQITPL-UHFFFAOYSA-N 0 1 382.859 2.355 20 30 GEEDMN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821586239 607114410 /nfs/dbraw/zinc/11/44/10/607114410.db2.gz PNITXJPFNQITPL-UHFFFAOYSA-N 0 1 382.859 2.355 20 30 GEEDMN CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2cn(-c3ccccc3)nn2)o1 ZINC000824141973 607887452 /nfs/dbraw/zinc/88/74/52/607887452.db2.gz PVBFVQZSBHFFAX-UHFFFAOYSA-N 0 1 378.400 2.179 20 30 GEEDMN Cc1c(C=NO[C@@H]2CCCCO2)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1 ZINC000826235047 607890484 /nfs/dbraw/zinc/89/04/84/607890484.db2.gz AJOXDOHADIJFER-OAHLLOKOSA-N 0 1 393.407 2.146 20 30 GEEDMN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000826340746 607997395 /nfs/dbraw/zinc/99/73/95/607997395.db2.gz JGFGEEWIGGWVEG-UHFFFAOYSA-N 0 1 375.348 2.388 20 30 GEEDMN N#Cc1cccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1F ZINC000826386389 608402976 /nfs/dbraw/zinc/40/29/76/608402976.db2.gz BTXGDIOGDMWHSR-UHFFFAOYSA-N 0 1 394.414 2.065 20 30 GEEDMN C=CCN(Cc1cccc(NS(C)(=O)=O)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823919809 608633517 /nfs/dbraw/zinc/63/35/17/608633517.db2.gz RRYMIBCIIVDLGM-UHFFFAOYSA-N 0 1 398.492 2.426 20 30 GEEDMN N#CC1(NC(=O)c2cccc(-c3nn[nH]n3)c2)CCN(Cc2ccccc2)CC1 ZINC000826379926 609345139 /nfs/dbraw/zinc/34/51/39/609345139.db2.gz HBFHZWIQSXRCLO-UHFFFAOYSA-N 0 1 387.447 2.155 20 30 GEEDMN N#CC1(NC(=O)c2ccc(-c3nn[nH]n3)cc2)CCN(Cc2ccccc2)CC1 ZINC000826379934 609345290 /nfs/dbraw/zinc/34/52/90/609345290.db2.gz HGTDPOXZIIBDST-UHFFFAOYSA-N 0 1 387.447 2.155 20 30 GEEDMN CCN(C[C@H](C)C#N)S(=O)(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000452096967 650173067 /nfs/dbraw/zinc/17/30/67/650173067.db2.gz PJNXWCPWPSLKNJ-CYBMUJFWSA-N 0 1 384.468 2.061 20 30 GEEDMN N#C[C@H](c1ccc(Br)cc1)N1CCN(CC2(O)CCOCC2)CC1 ZINC000501043684 650386670 /nfs/dbraw/zinc/38/66/70/650386670.db2.gz DJAMVKBXTNVQTF-QGZVFWFLSA-N 0 1 394.313 2.173 20 30 GEEDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1C ZINC000502413223 650405842 /nfs/dbraw/zinc/40/58/42/650405842.db2.gz CHKLPSXCEAYWLR-UHFFFAOYSA-N 0 1 399.881 2.229 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(OCCC(N)=O)cc2)c(Cl)c1 ZINC000502777266 650411541 /nfs/dbraw/zinc/41/15/41/650411541.db2.gz MTAIZOKTEFAURC-UHFFFAOYSA-N 0 1 379.825 2.267 20 30 GEEDMN C=CCOC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)OC ZINC000481603598 650650592 /nfs/dbraw/zinc/65/05/92/650650592.db2.gz JEFNNGAGOWOMRP-CYBMUJFWSA-N 0 1 382.265 2.157 20 30 GEEDMN C=CCN(CCOC)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000482388303 650664880 /nfs/dbraw/zinc/66/48/80/650664880.db2.gz DJLOGDLRMSLSEJ-UHFFFAOYSA-N 0 1 385.205 2.442 20 30 GEEDMN CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@@]2(C)Br)cc1 ZINC000528925625 650699250 /nfs/dbraw/zinc/69/92/50/650699250.db2.gz VTWXIAJTWJTZAX-PBFPGSCMSA-N 0 1 392.253 2.209 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2ccc(F)c(I)c2)CC1 ZINC000532166857 650745578 /nfs/dbraw/zinc/74/55/78/650745578.db2.gz MOOFBGAJNYYKGD-UHFFFAOYSA-N 0 1 387.196 2.148 20 30 GEEDMN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@H]2CC2(Cl)Cl)cc1OC ZINC000105263367 643202240 /nfs/dbraw/zinc/20/22/40/643202240.db2.gz SDFZPPCSKPLQKN-NWDGAFQWSA-N 0 1 385.247 2.265 20 30 GEEDMN CC[S@](=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000126030942 643719048 /nfs/dbraw/zinc/71/90/48/643719048.db2.gz WLEGVGZLJGQSKH-AQXOFRPNSA-N 0 1 376.450 2.195 20 30 GEEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000499269040 650877873 /nfs/dbraw/zinc/87/78/73/650877873.db2.gz XXZNDEROTYEWEC-UHFFFAOYSA-N 0 1 379.825 2.185 20 30 GEEDMN C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1 ZINC000248973761 645544949 /nfs/dbraw/zinc/54/49/49/645544949.db2.gz DOSKWOSYWGJFIV-HZPDHXFCSA-N 0 1 378.567 2.284 20 30 GEEDMN CS(=O)(=O)[C@H]1CCCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000277725627 646467189 /nfs/dbraw/zinc/46/71/89/646467189.db2.gz JOENNIIVINMMTF-HNNXBMFYSA-N 0 1 383.901 2.439 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)cc1Br ZINC000278857882 646558169 /nfs/dbraw/zinc/55/81/69/646558169.db2.gz QXBKZSNGYCIIKO-ZDUSSCGKSA-N 0 1 381.255 2.400 20 30 GEEDMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CCN1C ZINC000278877022 646560197 /nfs/dbraw/zinc/56/01/97/646560197.db2.gz SHEJFXCQLFROCG-AAEUAGOBSA-N 0 1 386.315 2.424 20 30 GEEDMN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000330384867 647333757 /nfs/dbraw/zinc/33/37/57/647333757.db2.gz KWKRBPQWNHOGBD-BFYDXBDKSA-N 0 1 384.571 2.447 20 30 GEEDMN CC(C)N1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331215156 647372097 /nfs/dbraw/zinc/37/20/97/647372097.db2.gz CLGXIVRAYZIJCU-ZDUSSCGKSA-N 0 1 386.315 2.472 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1N1CCCC1 ZINC000332107933 647411906 /nfs/dbraw/zinc/41/19/06/647411906.db2.gz ZZURHMMRYITYAR-JKSUJKDBSA-N 0 1 385.942 2.412 20 30 GEEDMN N#CCSCCCN1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000378543435 647883512 /nfs/dbraw/zinc/88/35/12/647883512.db2.gz WPQCTNXESAMRRT-KRWDZBQOSA-N 0 1 379.551 2.490 20 30 GEEDMN C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416429532 648125320 /nfs/dbraw/zinc/12/53/20/648125320.db2.gz ZCUHSQHOJULSKG-HZMBPMFUSA-N 0 1 384.299 2.082 20 30 GEEDMN Cc1c(NC(=O)C(=O)N[C@H]2CCCN(C)[C@@H]2C)ccc(Br)c1C#N ZINC000425740693 648692814 /nfs/dbraw/zinc/69/28/14/648692814.db2.gz ISIXNQMEYDXNKB-ABAIWWIYSA-N 0 1 393.285 2.167 20 30 GEEDMN COc1cc(CNCCNS(=O)(=O)c2cccc(Cl)c2)ccc1C#N ZINC000440809080 648814666 /nfs/dbraw/zinc/81/46/66/648814666.db2.gz RPUUCWDHSJBJSJ-UHFFFAOYSA-N 0 1 379.869 2.288 20 30 GEEDMN C[C@@H]1CCCN(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000443523450 648880929 /nfs/dbraw/zinc/88/09/29/648880929.db2.gz SSVUPNHWGCNVQV-GFCCVEGCSA-N 0 1 386.315 2.331 20 30 GEEDMN CC1CCN(CCNS(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000550824640 651115394 /nfs/dbraw/zinc/11/53/94/651115394.db2.gz NDEXZIKIKJEYRU-UHFFFAOYSA-N 0 1 386.315 2.331 20 30 GEEDMN C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000556412296 651243465 /nfs/dbraw/zinc/24/34/65/651243465.db2.gz QDCIEDMMMLEGHO-UHFFFAOYSA-N 0 1 380.813 2.452 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)cc1Cl ZINC000603980806 651506377 /nfs/dbraw/zinc/50/63/77/651506377.db2.gz BMNZZIKGDVUGAE-UHFFFAOYSA-N 0 1 379.825 2.267 20 30 GEEDMN COc1ccc(-c2nc(SCCCS(C)(=O)=O)[nH]c(=O)c2C#N)cc1 ZINC000728441916 651543775 /nfs/dbraw/zinc/54/37/75/651543775.db2.gz RQAGNQCJESLCKJ-UHFFFAOYSA-N 0 1 379.463 2.256 20 30 GEEDMN CNC(=O)CCCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000569985853 651738397 /nfs/dbraw/zinc/73/83/97/651738397.db2.gz UGGGAKLVUCEKCA-MRXNPFEDSA-N 0 1 379.302 2.158 20 30 GEEDMN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(Cl)c1O ZINC000734357848 651742525 /nfs/dbraw/zinc/74/25/25/651742525.db2.gz FIZHRSDTDTYKQO-UHFFFAOYSA-N 0 1 379.825 2.113 20 30 GEEDMN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccc(C#N)c1C ZINC000570178769 651751662 /nfs/dbraw/zinc/75/16/62/651751662.db2.gz DJSZNEROIQKLIT-UHFFFAOYSA-N 0 1 380.447 2.080 20 30 GEEDMN N#C[C@H](c1ccc(Br)cc1)N1CCN(CC[C@@H]2CCNC2=O)CC1 ZINC000571937289 651862586 /nfs/dbraw/zinc/86/25/86/651862586.db2.gz QWSOEEPZZPSUSL-DOTOQJQBSA-N 0 1 391.313 2.158 20 30 GEEDMN N#CCOc1cccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1 ZINC000743252640 652015301 /nfs/dbraw/zinc/01/53/01/652015301.db2.gz AMTKUQVMVYJPCJ-UHFFFAOYSA-N 0 1 379.781 2.478 20 30 GEEDMN COC(=O)CSCc1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000578379342 652267531 /nfs/dbraw/zinc/26/75/31/652267531.db2.gz JVJFITRMCPQNTH-UHFFFAOYSA-N 0 1 377.447 2.160 20 30 GEEDMN N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000751104731 652323857 /nfs/dbraw/zinc/32/38/57/652323857.db2.gz GJVVMSAFCIKNMU-INIZCTEOSA-N 0 1 383.901 2.133 20 30 GEEDMN O=C([O-])COc1ccc(Br)cc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753933809 652421057 /nfs/dbraw/zinc/42/10/57/652421057.db2.gz FLUKUKVGHCCUKK-STQMWFEESA-N 0 1 395.257 2.106 20 30 GEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000767431836 652924892 /nfs/dbraw/zinc/92/48/92/652924892.db2.gz JOBHQMAIYMBMHI-NSHDSACASA-N 0 1 378.431 2.121 20 30 GEEDMN Cc1ccc(Br)c2ncc(C#N)c(NC[C@H]3CN(C)CCN3C)c12 ZINC000601115797 652955138 /nfs/dbraw/zinc/95/51/38/652955138.db2.gz KUKGMELLRZXMAI-AWEZNQCLSA-N 0 1 388.313 2.257 20 30 GEEDMN NS(=O)(=O)c1ccccc1N=NCc1cnc2ccc(Br)cn12 ZINC000773122181 653182489 /nfs/dbraw/zinc/18/24/89/653182489.db2.gz ZPYQJIBNFJMIQL-UHFFFAOYSA-N 0 1 394.254 2.190 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000774078225 653223475 /nfs/dbraw/zinc/22/34/75/653223475.db2.gz JBMDMUNXLLPRPD-CQSZACIVSA-N 0 1 394.265 2.404 20 30 GEEDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@H](C)N1CC#N ZINC000603098890 653227406 /nfs/dbraw/zinc/22/74/06/653227406.db2.gz IRHQPVRHCBFTTQ-PHIMTYICSA-N 0 1 376.258 2.384 20 30 GEEDMN C#C[C@@H](NC(=O)NCCN1CCCOCC1)c1ccc(Br)cc1 ZINC000836475089 653355124 /nfs/dbraw/zinc/35/51/24/653355124.db2.gz XMWKEFKLVODAMI-MRXNPFEDSA-N 0 1 380.286 2.145 20 30 GEEDMN Cc1cc(Br)c(C(=O)N[C@H]2CNC[C@H]2C#N)cc1Br ZINC000876801772 653448586 /nfs/dbraw/zinc/44/85/86/653448586.db2.gz INPXOGLBSZNEJS-PELKAZGASA-N 0 1 387.075 2.361 20 30 GEEDMN O=S(=O)(c1ccccc1NN=Cc1ncc(Cl)s1)N1CCOCC1 ZINC000814860581 653640597 /nfs/dbraw/zinc/64/05/97/653640597.db2.gz FCMHTSRIOBFWJW-UHFFFAOYSA-N 0 1 386.886 2.263 20 30 GEEDMN CC(=NNc1cnnn1C)c1nnn(-c2cccc(Br)c2)c1C ZINC000814984095 653641763 /nfs/dbraw/zinc/64/17/63/653641763.db2.gz USCPATKDTZAHBM-UHFFFAOYSA-N 0 1 375.234 2.303 20 30 GEEDMN N#CC(C(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000815908947 653668429 /nfs/dbraw/zinc/66/84/29/653668429.db2.gz NMZGFTFXQYAHFE-ZYHUDNBSSA-N 0 1 386.832 2.341 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000841028171 653705349 /nfs/dbraw/zinc/70/53/49/653705349.db2.gz CEPTVFZYSWLFSJ-RDDDGLTNSA-N 0 1 388.063 2.445 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241419 653712064 /nfs/dbraw/zinc/71/20/64/653712064.db2.gz NDUSTDQUPJJFJL-HTRCEHHLSA-N 0 1 378.152 2.096 20 30 GEEDMN O=C1NCCCN1N=Cc1ccc(Cl)c(I)c1O ZINC000788724838 653764010 /nfs/dbraw/zinc/76/40/10/653764010.db2.gz GQLWJIWSXONJKX-UHFFFAOYSA-N 0 1 379.585 2.399 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000843462058 653787587 /nfs/dbraw/zinc/78/75/87/653787587.db2.gz ZKKATZHWFFXYRF-OTYXRUKQSA-N 0 1 381.219 2.402 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000844194379 653802965 /nfs/dbraw/zinc/80/29/65/653802965.db2.gz FWHZRZMICDMSPV-XHDPSFHLSA-N 0 1 376.869 2.146 20 30 GEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(C)c2Br)cc1 ZINC000791773805 653823806 /nfs/dbraw/zinc/82/38/06/653823806.db2.gz PJRSHXJMVKNLPQ-NSHDSACASA-N 0 1 377.198 2.152 20 30 GEEDMN Cn1ncc(I)c1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000895468372 653836998 /nfs/dbraw/zinc/83/69/98/653836998.db2.gz UBZYQEOTHNGLKA-ZDUSSCGKSA-N 0 1 378.217 2.153 20 30 GEEDMN Cc1cnc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c(C)c1 ZINC000848374989 653972866 /nfs/dbraw/zinc/97/28/66/653972866.db2.gz FGTQFRZZRIGXPV-UHFFFAOYSA-N 0 1 375.226 2.495 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(Br)c(Br)c1 ZINC000868202866 654023004 /nfs/dbraw/zinc/02/30/04/654023004.db2.gz FRGUOGPDKBSZBG-CPCISQLKSA-N 0 1 388.063 2.445 20 30 GEEDMN C=C(Br)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000900396885 654062273 /nfs/dbraw/zinc/06/22/73/654062273.db2.gz CABUDJKUAMTLRO-AWEZNQCLSA-N 0 1 383.290 2.042 20 30 GEEDMN C=CCC[C@H](CO)NS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916153396 654085828 /nfs/dbraw/zinc/08/58/28/654085828.db2.gz FKLZFLQMCKLHGZ-QVQLBTGDSA-N 0 1 386.417 2.195 20 30 GEEDMN C#CCN1CCC(C(=O)NCC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000869567247 654105440 /nfs/dbraw/zinc/10/54/40/654105440.db2.gz HTFISQXZDOPRGW-UHFFFAOYSA-N 0 1 381.245 2.232 20 30 GEEDMN C#CCNC(=O)CCNCc1ccc(I)cc1Cl ZINC000800232404 654138672 /nfs/dbraw/zinc/13/86/72/654138672.db2.gz VELXUCPGYNUKRC-UHFFFAOYSA-N 0 1 376.625 2.174 20 30 GEEDMN COc1ccc(Br)c(CS(=O)(=O)Nc2c(C#N)c(C)nn2C)c1 ZINC000903173924 654224494 /nfs/dbraw/zinc/22/44/94/654224494.db2.gz ZSQHVRFFWODVKP-UHFFFAOYSA-N 0 1 399.270 2.313 20 30 GEEDMN CCc1ncc(C=NNc2nccc3sccc32)n1S(=O)(=O)N(C)C ZINC000872343554 654324216 /nfs/dbraw/zinc/32/42/16/654324216.db2.gz GCZZHHAJYVAAIP-UHFFFAOYSA-N 0 1 378.483 2.156 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000834479444 654329042 /nfs/dbraw/zinc/32/90/42/654329042.db2.gz DNJVHPXEKDAZGB-CABZTGNLSA-N 0 1 379.283 2.219 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000834490304 654329782 /nfs/dbraw/zinc/32/97/82/654329782.db2.gz UDFXVDYOZJSUBU-JGVFFNPUSA-N 0 1 383.296 2.475 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000834505761 654330809 /nfs/dbraw/zinc/33/08/09/654330809.db2.gz NQJHZAABAWUKEX-PSASIEDQSA-N 0 1 378.148 2.189 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000922027561 654357266 /nfs/dbraw/zinc/35/72/66/654357266.db2.gz XKPOMUGYWCXDHT-UHFFFAOYSA-N 0 1 387.908 2.185 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000905569892 654366659 /nfs/dbraw/zinc/36/66/59/654366659.db2.gz YFXPVQUHOOZAFB-DZGCQCFKSA-N 0 1 376.400 2.422 20 30 GEEDMN Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NCc1cc(C#N)ccc1Br ZINC000922222258 654376737 /nfs/dbraw/zinc/37/67/37/654376737.db2.gz FXJBAXZFRAQPCD-RHSMWYFYSA-N 0 1 388.269 2.164 20 30 GEEDMN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000906986174 654496456 /nfs/dbraw/zinc/49/64/56/654496456.db2.gz HTRQHXKAICLAQV-YOEHRIQHSA-N 0 1 376.507 2.376 20 30 GEEDMN CN1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907328959 654532521 /nfs/dbraw/zinc/53/25/21/654532521.db2.gz JXCXCQATTBKULF-GJZGRUSLSA-N 0 1 384.299 2.178 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccc(I)cc2F)CC1 ZINC000928651594 654654311 /nfs/dbraw/zinc/65/43/11/654654311.db2.gz WVVJMJKQEHKTLV-UHFFFAOYSA-N 0 1 386.208 2.258 20 30 GEEDMN C#CCN1CCC(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000928659504 654655190 /nfs/dbraw/zinc/65/51/90/654655190.db2.gz OSYSTOGPHXGSRT-INIZCTEOSA-N 0 1 377.897 2.357 20 30 GEEDMN CN(C)CC#CCNC(=O)Nc1ccc(F)cc1I ZINC000930270542 654703748 /nfs/dbraw/zinc/70/37/48/654703748.db2.gz NJCCNPOSTZRBLJ-UHFFFAOYSA-N 0 1 375.185 2.117 20 30 GEEDMN COC(=O)c1c(Br)ccc(NC(=O)NCC#CCN(C)C)c1C ZINC000931081514 654728484 /nfs/dbraw/zinc/72/84/84/654728484.db2.gz RVVUXBCGIKWIIW-UHFFFAOYSA-N 0 1 382.258 2.231 20 30 GEEDMN C#CCN1CCC(NC(=O)Nc2cccc(C(=O)NC)c2Br)CC1 ZINC000931405284 654741386 /nfs/dbraw/zinc/74/13/86/654741386.db2.gz IFMUTZQCWLAWHU-UHFFFAOYSA-N 0 1 393.285 2.028 20 30 GEEDMN CCOC(=O)c1nc(NC(=O)NCC#CCN(C)C)sc1C(F)(F)F ZINC000931600924 654748837 /nfs/dbraw/zinc/74/88/37/654748837.db2.gz QPXXVMMPALLUQM-UHFFFAOYSA-N 0 1 378.376 2.025 20 30 GEEDMN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](N3CCC3)C2)C1 ZINC000912904061 654773699 /nfs/dbraw/zinc/77/36/99/654773699.db2.gz VIMZIOKVMNPYDR-INIZCTEOSA-N 0 1 389.297 2.064 20 30 GEEDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2 ZINC001164687531 719719917 /nfs/dbraw/zinc/71/99/17/719719917.db2.gz ZCMBEVALOVALSK-UHFFFAOYSA-N 0 1 397.857 2.332 20 30 GEEDMN N#Cc1ccc(-c2ccncc2)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739370 720754593 /nfs/dbraw/zinc/75/45/93/720754593.db2.gz IJHYPKFBAIYHQE-RBUKOAKNSA-N 0 1 399.458 2.147 20 30 GEEDMN N#Cc1ccc([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907312 721532315 /nfs/dbraw/zinc/53/23/15/721532315.db2.gz MXSBXKRMSXTTCZ-DOTOQJQBSA-N 0 1 383.383 2.342 20 30 GEEDMN N#Cc1ncc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1C#N ZINC001164913089 721726612 /nfs/dbraw/zinc/72/66/12/721726612.db2.gz SKZLZMKHPBXPGW-LJQANCHMSA-N 0 1 395.417 2.353 20 30 GEEDMN N#Cc1ncc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1C#N ZINC001164913088 721727203 /nfs/dbraw/zinc/72/72/03/721727203.db2.gz SKZLZMKHPBXPGW-IBGZPJMESA-N 0 1 395.417 2.353 20 30 GEEDMN COc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(F)cc1C#N ZINC001164983345 722137891 /nfs/dbraw/zinc/13/78/91/722137891.db2.gz UMWWNOOTBDLDMA-QFBILLFUSA-N 0 1 397.454 2.223 20 30 GEEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccccc1Br ZINC000125470934 532135966 /nfs/dbraw/zinc/13/59/66/532135966.db2.gz BQFFQFCPNICGCD-UHFFFAOYSA-N 0 1 391.273 2.129 20 30 GEEDMN CCN1CCN([C@@H]2CCN(C(=O)c3ccc(Br)cc3C#N)C2)CC1 ZINC000294641615 532374323 /nfs/dbraw/zinc/37/43/23/532374323.db2.gz OZICMHDQJNTCLS-MRXNPFEDSA-N 0 1 391.313 2.173 20 30 GEEDMN C#CCNC(=O)CCN(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000294777068 532382566 /nfs/dbraw/zinc/38/25/66/532382566.db2.gz ZOUXGVWRTMATCS-UHFFFAOYSA-N 0 1 397.313 2.170 20 30 GEEDMN N#Cc1ccncc1N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000517192090 532408590 /nfs/dbraw/zinc/40/85/90/532408590.db2.gz CZPHHUDREREBMI-UHFFFAOYSA-N 0 1 387.237 2.384 20 30 GEEDMN CC[N@@H+](CCNC(=O)c1cc(C#N)c(SC)[n-]c1=O)CCC(F)(F)F ZINC000427268827 532418395 /nfs/dbraw/zinc/41/83/95/532418395.db2.gz ZPMWCQAGZAZHBC-UHFFFAOYSA-N 0 1 376.404 2.385 20 30 GEEDMN CCCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CCN(C)C1 ZINC000592300521 532446418 /nfs/dbraw/zinc/44/64/18/532446418.db2.gz QQGAVZDJAVSFOT-CQSZACIVSA-N 0 1 393.285 2.202 20 30 GEEDMN CC(C)(C)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000594799662 532532131 /nfs/dbraw/zinc/53/21/31/532532131.db2.gz OSBJYBSGXUMHLT-LBPRGKRZSA-N 0 1 386.315 2.472 20 30 GEEDMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000595345206 532558247 /nfs/dbraw/zinc/55/82/47/532558247.db2.gz NSVCHVPJSRFLGC-LBPRGKRZSA-N 0 1 386.315 2.426 20 30 GEEDMN C#CC[N@H+](C)CCCNC(=O)N(C)C[C@@H](O)c1ccccc1Br ZINC000297181830 532571721 /nfs/dbraw/zinc/57/17/21/532571721.db2.gz BJAOJTXHGAKYCR-MRXNPFEDSA-N 0 1 382.302 2.079 20 30 GEEDMN C#CC[N@H+](C)CCCNC(=O)N(C)C[C@H](O)c1ccccc1Br ZINC000297181823 532571914 /nfs/dbraw/zinc/57/19/14/532571914.db2.gz BJAOJTXHGAKYCR-INIZCTEOSA-N 0 1 382.302 2.079 20 30 GEEDMN COc1cccc(CN(CCN(C)C)S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435432946 532616872 /nfs/dbraw/zinc/61/68/72/532616872.db2.gz PGLFOQKSNYFJNV-UHFFFAOYSA-N 0 1 379.507 2.381 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000376313130 532605411 /nfs/dbraw/zinc/60/54/11/532605411.db2.gz BMAUXIYWKHROFW-UHFFFAOYSA-N 0 1 396.270 2.007 20 30 GEEDMN C[C@@H](NC[C@@H](O)CN(C)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000566673752 532623563 /nfs/dbraw/zinc/62/35/63/532623563.db2.gz ZHOUQCIVLKYNAU-CHWSQXEVSA-N 0 1 398.301 2.077 20 30 GEEDMN C[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)CCN1CC(C)(C)O ZINC000451220915 532762321 /nfs/dbraw/zinc/76/23/21/532762321.db2.gz SJMDOZMXPNGRPH-LBPRGKRZSA-N 0 1 380.286 2.238 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NCCN1CCCC1 ZINC000411248578 532751708 /nfs/dbraw/zinc/75/17/08/532751708.db2.gz XLTDBBXZVAFDGI-UHFFFAOYSA-N 0 1 396.285 2.164 20 30 GEEDMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000329821637 532812310 /nfs/dbraw/zinc/81/23/10/532812310.db2.gz GVICDVXMELJYSX-TZMCWYRMSA-N 0 1 383.539 2.320 20 30 GEEDMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000330619166 532823090 /nfs/dbraw/zinc/82/30/90/532823090.db2.gz ZAMLHKVKGMNULA-CABCVRRESA-N 0 1 386.315 2.271 20 30 GEEDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000331467918 532840145 /nfs/dbraw/zinc/84/01/45/532840145.db2.gz HVFWLHJQKBGKBU-ZYHUDNBSSA-N 0 1 384.299 2.224 20 30 GEEDMN CN(CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[C@@H]1CCSC1 ZINC000333124985 532864097 /nfs/dbraw/zinc/86/40/97/532864097.db2.gz HUFNAGYTABXINN-OAHLLOKOSA-N 0 1 378.929 2.298 20 30 GEEDMN C=CCS(=O)(=O)CCNCc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000289956487 532868798 /nfs/dbraw/zinc/86/87/98/532868798.db2.gz CFESUPCVRJUHHM-UHFFFAOYSA-N 0 1 379.425 2.038 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2cnn(-c3ccc(C#N)cc3)c2C)o1 ZINC000735451215 599148453 /nfs/dbraw/zinc/14/84/53/599148453.db2.gz UIRKRYFZTMPNRC-UHFFFAOYSA-N 0 1 388.395 2.365 20 30 GEEDMN N#Cc1ccc(Oc2ccc(C(=O)OC[C@H]3CCC[N@@H+]3CC(=O)[O-])cc2)nc1 ZINC000821335921 598065075 /nfs/dbraw/zinc/06/50/75/598065075.db2.gz BMBDIERRSVMJQH-MRXNPFEDSA-N 0 1 381.388 2.451 20 30 GEEDMN COc1cccc(CC(=O)N2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738096051 600566816 /nfs/dbraw/zinc/56/68/16/600566816.db2.gz MCCVXXCJHWIKOM-NRFANRHFSA-N 0 1 393.443 2.079 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2CC(=O)[O-])sc2c1CCC2 ZINC000833067366 601020005 /nfs/dbraw/zinc/02/00/05/601020005.db2.gz BAMBHMGUPRFJOG-LLVKDONJSA-N 0 1 379.507 2.329 20 30 GEEDMN CC(C)c1nc(CN(C)[C@@H]2CC[N@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000827152148 601027753 /nfs/dbraw/zinc/02/77/53/601027753.db2.gz AXARBZWNXNXIIS-SJLPKXTDSA-N 0 1 383.452 2.397 20 30 GEEDMN N#Cc1c2c(sc1NC(=O)CC[N@H+](CCC(=O)[O-])C1CCOCC1)CCC2 ZINC000833067927 601048999 /nfs/dbraw/zinc/04/89/99/601048999.db2.gz JCGUXFMMNCQARW-UHFFFAOYSA-N 0 1 391.493 2.393 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N ZINC000832849975 601518027 /nfs/dbraw/zinc/51/80/27/601518027.db2.gz VHYBSGFRNIFLLR-SJCJKPOMSA-N 0 1 384.436 2.209 20 30 GEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738611111 602529713 /nfs/dbraw/zinc/52/97/13/602529713.db2.gz BVWWHZJBIXSRJY-CABCVRRESA-N 0 1 376.432 2.393 20 30 GEEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738605766 602647655 /nfs/dbraw/zinc/64/76/55/602647655.db2.gz XRHUFKRWVIBOOI-KGLIPLIRSA-N 0 1 376.482 2.466 20 30 GEEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738605766 602647656 /nfs/dbraw/zinc/64/76/56/602647656.db2.gz XRHUFKRWVIBOOI-KGLIPLIRSA-N 0 1 376.482 2.466 20 30 GEEDMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[C@@H]1NC(=O)[O-] ZINC000739178973 602781104 /nfs/dbraw/zinc/78/11/04/602781104.db2.gz AFGKYZWWOAZBGN-RISCZKNCSA-N 0 1 376.482 2.415 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739975679 602793803 /nfs/dbraw/zinc/79/38/03/602793803.db2.gz IWDYBQQHIKRJCP-HRCADAONSA-N 0 1 388.468 2.308 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739975679 602793806 /nfs/dbraw/zinc/79/38/06/602793806.db2.gz IWDYBQQHIKRJCP-HRCADAONSA-N 0 1 388.468 2.308 20 30 GEEDMN C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000833628911 604607333 /nfs/dbraw/zinc/60/73/33/604607333.db2.gz CBWHAUQPAGOILJ-IIBYNOLFSA-N 0 1 379.460 2.496 20 30 GEEDMN N#CCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000833966659 605364878 /nfs/dbraw/zinc/36/48/78/605364878.db2.gz CGROTEHXANASIV-MOPGFXCFSA-N 0 1 384.480 2.223 20 30 GEEDMN N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833974626 605521193 /nfs/dbraw/zinc/52/11/93/605521193.db2.gz URBUKBYHTOIBOV-KBXCAEBGSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833974626 605521195 /nfs/dbraw/zinc/52/11/95/605521195.db2.gz URBUKBYHTOIBOV-KBXCAEBGSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1F ZINC000833978550 605952142 /nfs/dbraw/zinc/95/21/42/605952142.db2.gz ONOABEGKKFQADD-YOEHRIQHSA-N 0 1 388.443 2.168 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1N1CCCC1 ZINC000445709801 649963830 /nfs/dbraw/zinc/96/38/30/649963830.db2.gz OZOKXJQPZTWSFF-HUUCEWRRSA-N 0 1 385.942 2.412 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCC2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000822423343 606624097 /nfs/dbraw/zinc/62/40/97/606624097.db2.gz JVEQGWOVUYNCEO-UHFFFAOYSA-N 0 1 376.421 2.208 20 30 GEEDMN N#Cc1ccccc1N1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000822842383 606892514 /nfs/dbraw/zinc/89/25/14/606892514.db2.gz GAVYYNNYMAMFSE-UHFFFAOYSA-N 0 1 389.463 2.329 20 30 GEEDMN N#Cc1ccc(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c(Cl)c1 ZINC000822832865 607123104 /nfs/dbraw/zinc/12/31/04/607123104.db2.gz HCQDFRJZFYGNGF-UHFFFAOYSA-N 0 1 396.766 2.471 20 30 GEEDMN COc1cc(CN=Nc2oc(CC(C)C)nc2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826178874 608883124 /nfs/dbraw/zinc/88/31/24/608883124.db2.gz PJZRNBBUYLWKRY-UHFFFAOYSA-N 0 1 386.372 2.416 20 30 GEEDMN CC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1C[C@@H](C)O ZINC000450028639 650058645 /nfs/dbraw/zinc/05/86/45/650058645.db2.gz RSQCYJMZVICDDU-OCCSQVGLSA-N 0 1 380.286 2.238 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CN(C)CCN1C ZINC000459648853 650429804 /nfs/dbraw/zinc/42/98/04/650429804.db2.gz ATUNUCPUNKCZFH-CQSZACIVSA-N 0 1 397.317 2.381 20 30 GEEDMN COC(=O)CSCc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000485025046 650692294 /nfs/dbraw/zinc/69/22/94/650692294.db2.gz NTPZRVFTVMICDV-UHFFFAOYSA-N 0 1 377.447 2.160 20 30 GEEDMN COc1cc(C#N)ccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000546707024 651007357 /nfs/dbraw/zinc/00/73/57/651007357.db2.gz CGRMBGFOCKDAFW-UHFFFAOYSA-N 0 1 380.447 2.080 20 30 GEEDMN C=CCCS(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C ZINC000269280024 646024739 /nfs/dbraw/zinc/02/47/39/646024739.db2.gz DUTGCCCBXBBMQI-UHFFFAOYSA-N 0 1 376.500 2.042 20 30 GEEDMN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000271717713 646224254 /nfs/dbraw/zinc/22/42/54/646224254.db2.gz CMYBQNHDYRYRGA-SHACYNPGSA-N 0 1 376.503 2.420 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1N1CCCC1 ZINC000275487720 646356949 /nfs/dbraw/zinc/35/69/49/646356949.db2.gz ORIGRSZJIAZQOU-GJZGRUSLSA-N 0 1 385.942 2.412 20 30 GEEDMN CN1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@H]2C1 ZINC000278602582 646529643 /nfs/dbraw/zinc/52/96/43/646529643.db2.gz BEDPBQYARYFOLZ-ABAIWWIYSA-N 0 1 384.299 2.035 20 30 GEEDMN C=CCOc1c(Br)cc(CNCC(=O)NCC(F)F)cc1OC ZINC000280317698 646671157 /nfs/dbraw/zinc/67/11/57/646671157.db2.gz OZQNUZIWDBHSJT-UHFFFAOYSA-N 0 1 393.228 2.493 20 30 GEEDMN COc1ccc(NC(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000330538103 647343475 /nfs/dbraw/zinc/34/34/75/647343475.db2.gz KXUVGXXUOUKNHB-NWDGAFQWSA-N 0 1 386.290 2.390 20 30 GEEDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(C#N)c1Br ZINC000331309121 647379455 /nfs/dbraw/zinc/37/94/55/647379455.db2.gz GYFIVAGBUIRYSZ-GFCCVEGCSA-N 0 1 380.286 2.238 20 30 GEEDMN N#Cc1ccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000367577614 647739366 /nfs/dbraw/zinc/73/93/66/647739366.db2.gz CZCGACBOWJNVPX-HOTGVXAUSA-N 0 1 393.285 2.384 20 30 GEEDMN CCn1ncc(C#N)c1NS(=O)(=O)Cc1cc(OC)ccc1Br ZINC000410343861 648002481 /nfs/dbraw/zinc/00/24/81/648002481.db2.gz SYPJQYAIACJYLS-UHFFFAOYSA-N 0 1 399.270 2.488 20 30 GEEDMN COc1cc(C#N)ccc1S(=O)(=O)N(CCN(C)C)Cc1ccsc1 ZINC000416555704 648170354 /nfs/dbraw/zinc/17/03/54/648170354.db2.gz KWUXAFHMUROAGZ-UHFFFAOYSA-N 0 1 379.507 2.381 20 30 GEEDMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2Br)n[nH]1 ZINC000419672403 648361761 /nfs/dbraw/zinc/36/17/61/648361761.db2.gz HLSYUPVAUBCCNT-SECBINFHSA-N 0 1 390.241 2.038 20 30 GEEDMN N#Cc1ccc(Br)cc1S(=O)(=O)NC1CCN(C2CC2)CC1 ZINC000563664372 651535872 /nfs/dbraw/zinc/53/58/72/651535872.db2.gz VKGOCAQNSWASJX-UHFFFAOYSA-N 0 1 384.299 2.226 20 30 GEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(N)=O)s2)cc1Cl ZINC000728147522 651538960 /nfs/dbraw/zinc/53/89/60/651538960.db2.gz HTHCFGQBKKCIAF-VIFPVBQESA-N 0 1 377.809 2.470 20 30 GEEDMN CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2ccc(CC#N)cc2)c(F)c1 ZINC000728292678 651541426 /nfs/dbraw/zinc/54/14/26/651541426.db2.gz ROQLZLYZNKYETR-UHFFFAOYSA-N 0 1 384.410 2.031 20 30 GEEDMN N#Cc1cc(F)c(N2CCN([C@H]3CCNC(=O)CC3)CC2)cc1Br ZINC000565609468 651593326 /nfs/dbraw/zinc/59/33/26/651593326.db2.gz OOYLROCTGCKHEQ-CYBMUJFWSA-N 0 1 395.276 2.251 20 30 GEEDMN N#CCN1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610263179 651652280 /nfs/dbraw/zinc/65/22/80/651652280.db2.gz SGVFFARUJZAABK-UHFFFAOYSA-N 0 1 393.252 2.168 20 30 GEEDMN CC(C)(CO)[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccs1 ZINC000568683480 651676286 /nfs/dbraw/zinc/67/62/86/651676286.db2.gz LMZLRZVVZICMTQ-MRXNPFEDSA-N 0 1 379.507 2.138 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)NCC(F)(F)C(F)F ZINC000572045405 651869816 /nfs/dbraw/zinc/86/98/16/651869816.db2.gz TXOIVLXTJCZIMV-UHFFFAOYSA-N 0 1 375.141 2.499 20 30 GEEDMN COc1c(NS(=O)(=O)c2ccc(C#N)cc2C)cc(Cl)cc1C(N)=O ZINC000573029245 651929960 /nfs/dbraw/zinc/92/99/60/651929960.db2.gz HUXKXWPKBSTJKQ-UHFFFAOYSA-N 0 1 379.825 2.428 20 30 GEEDMN C#CCN(CC#CC)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000745838408 652087131 /nfs/dbraw/zinc/08/71/31/652087131.db2.gz DRJNWTQCNIRVPO-UHFFFAOYSA-N 0 1 386.253 2.402 20 30 GEEDMN C#CCN(CC#CC)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000745838408 652087138 /nfs/dbraw/zinc/08/71/38/652087138.db2.gz DRJNWTQCNIRVPO-UHFFFAOYSA-N 0 1 386.253 2.402 20 30 GEEDMN CS(=O)(=O)c1ccccc1N=NCc1cnc2cnc(Br)cn12 ZINC000746371484 652102241 /nfs/dbraw/zinc/10/22/41/652102241.db2.gz DTVKKQOFVAKSDP-UHFFFAOYSA-N 0 1 394.254 2.341 20 30 GEEDMN C#CCN1CCN(C(=O)CN(Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000748813607 652217814 /nfs/dbraw/zinc/21/78/14/652217814.db2.gz OBRPNXBVNGCULH-UHFFFAOYSA-N 0 1 392.341 2.437 20 30 GEEDMN O=C([O-])COc1ccc(Br)cc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753933801 652420868 /nfs/dbraw/zinc/42/08/68/652420868.db2.gz FLUKUKVGHCCUKK-BETUJISGSA-N 0 1 395.257 2.106 20 30 GEEDMN N#CC[C@@]1(O)CCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592150960 652589270 /nfs/dbraw/zinc/58/92/70/652589270.db2.gz KYOKEWJFJIXWNB-IUODEOHRSA-N 0 1 389.677 2.193 20 30 GEEDMN N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccncn1 ZINC000760345294 652604426 /nfs/dbraw/zinc/60/44/26/652604426.db2.gz LDYQUVCCFGJKPU-NWDGAFQWSA-N 0 1 385.221 2.468 20 30 GEEDMN Oc1cc(C=NNc2ccc(-n3ccnc3)nn2)cc(Br)c1O ZINC000761857772 652659480 /nfs/dbraw/zinc/65/94/80/652659480.db2.gz NMZKAIZTALPZMS-UHFFFAOYSA-N 0 1 375.186 2.282 20 30 GEEDMN C[C@H](CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[NH+](C)C ZINC000594820323 652688321 /nfs/dbraw/zinc/68/83/21/652688321.db2.gz BFXXBRFENPXUCV-SECBINFHSA-N 0 1 378.267 2.078 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c(F)c1 ZINC000762532791 652700174 /nfs/dbraw/zinc/70/01/74/652700174.db2.gz ZGONQPMQDPJHHK-AGIUHOORSA-N 0 1 376.475 2.494 20 30 GEEDMN N#Cc1cc(Br)ccc1C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000597621892 652784160 /nfs/dbraw/zinc/78/41/60/652784160.db2.gz BJTJAPRVDHJWFO-UHFFFAOYSA-N 0 1 377.198 2.429 20 30 GEEDMN Cc1nc(CN2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)n[nH]1 ZINC000597941432 652793888 /nfs/dbraw/zinc/79/38/88/652793888.db2.gz PPZJQSBSEWRAHX-UHFFFAOYSA-N 0 1 379.251 2.250 20 30 GEEDMN CSCc1noc(CCC(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)n1 ZINC000767685598 652941924 /nfs/dbraw/zinc/94/19/24/652941924.db2.gz VXKSXEPWHWYIAV-JTQLQIEISA-N 0 1 380.451 2.050 20 30 GEEDMN CSCc1noc(CCC(=O)OCC(=O)C(C#N)c2nc(C)cs2)n1 ZINC000767685598 652941929 /nfs/dbraw/zinc/94/19/29/652941929.db2.gz VXKSXEPWHWYIAV-JTQLQIEISA-N 0 1 380.451 2.050 20 30 GEEDMN Cc1cc(C[C@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)n[nH]1 ZINC000601426354 653094038 /nfs/dbraw/zinc/09/40/38/653094038.db2.gz ZARHNOWEEBWGMO-JTQLQIEISA-N 0 1 383.271 2.262 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CCC(N3CCCOCC3)CC2)c(Cl)c1 ZINC000601439021 653095355 /nfs/dbraw/zinc/09/53/55/653095355.db2.gz AOFLAWROVABVEE-UHFFFAOYSA-N 0 1 383.901 2.087 20 30 GEEDMN C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)N(C)C ZINC000602094463 653146762 /nfs/dbraw/zinc/14/67/62/653146762.db2.gz UIOKTTKTLUECJG-CJNGLKHVSA-N 0 1 379.302 2.108 20 30 GEEDMN C=CCOCCNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000679613575 653150648 /nfs/dbraw/zinc/15/06/48/653150648.db2.gz MGTHZHPHQBZBPA-UHFFFAOYSA-N 0 1 380.246 2.236 20 30 GEEDMN C=CCOCCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000679613575 653150652 /nfs/dbraw/zinc/15/06/52/653150652.db2.gz MGTHZHPHQBZBPA-UHFFFAOYSA-N 0 1 380.246 2.236 20 30 GEEDMN CCN(CC)S(=O)(=O)c1ccc(NN=Cc2cnc([C@H](C)O)s2)nc1 ZINC000773016599 653176804 /nfs/dbraw/zinc/17/68/04/653176804.db2.gz BLVLOXRVEJDVOB-NSHDSACASA-N 0 1 383.499 2.068 20 30 GEEDMN NS(=O)(=O)c1ccccc1NN=Cc1nc2ccccn2c1Br ZINC000773120300 653182581 /nfs/dbraw/zinc/18/25/81/653182581.db2.gz HADMFOPQMJHYMK-UHFFFAOYSA-N 0 1 394.254 2.190 20 30 GEEDMN CCS(=O)(=O)c1c(Cl)cccc1C=NNc1ncnc2c1cnn2C ZINC000774368183 653235756 /nfs/dbraw/zinc/23/57/56/653235756.db2.gz AYPHPSTZLUCTCP-UHFFFAOYSA-N 0 1 378.845 2.256 20 30 GEEDMN CN1c2cc(NS(=O)(=O)c3cc(C#N)ccc3Cl)ccc2OCC1=O ZINC000775283608 653307831 /nfs/dbraw/zinc/30/78/31/653307831.db2.gz ZZNVCMUCGDGSMB-UHFFFAOYSA-N 0 1 377.809 2.368 20 30 GEEDMN C#CCCN1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000809967841 653315429 /nfs/dbraw/zinc/31/54/29/653315429.db2.gz IZDOXDQKARTWFL-UHFFFAOYSA-N 0 1 399.232 2.340 20 30 GEEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)c1 ZINC000811687391 653401722 /nfs/dbraw/zinc/40/17/22/653401722.db2.gz OKGQSSPISLGCIZ-HSZRJFAPSA-N 0 1 375.353 2.381 20 30 GEEDMN Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)c(I)cc1Cl ZINC000876801377 653448576 /nfs/dbraw/zinc/44/85/76/653448576.db2.gz BSBUPMRQELXQPZ-PRHODGIISA-N 0 1 389.624 2.094 20 30 GEEDMN Cc1cc(Br)c(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1Br ZINC000876801773 653448733 /nfs/dbraw/zinc/44/87/33/653448733.db2.gz INPXOGLBSZNEJS-PRHODGIISA-N 0 1 387.075 2.361 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000876802662 653449048 /nfs/dbraw/zinc/44/90/48/653449048.db2.gz RMQHEFRMNUYLIX-BXKDBHETSA-N 0 1 377.267 2.414 20 30 GEEDMN C[C@@H]1C[NH+]=C(NN=Cc2cc(Br)c([O-])c(Br)c2)N1 ZINC000779798785 653610981 /nfs/dbraw/zinc/61/09/81/653610981.db2.gz HINCPODARNEGEL-ZCFIWIBFSA-N 0 1 376.052 2.188 20 30 GEEDMN C#CCNC(=O)CCN(CC#C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000815049104 653648126 /nfs/dbraw/zinc/64/81/26/653648126.db2.gz WYVVBICIVHGTDS-MRXNPFEDSA-N 0 1 375.266 2.347 20 30 GEEDMN C#CCN1CCC(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)CC1 ZINC000816705095 653690812 /nfs/dbraw/zinc/69/08/12/653690812.db2.gz SPPBBMREEWQPMA-INIZCTEOSA-N 0 1 392.297 2.169 20 30 GEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880219124 653700957 /nfs/dbraw/zinc/70/09/57/653700957.db2.gz WOVHGOCXRBNWNK-QANKJYHBSA-N 0 1 394.313 2.397 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000841145837 653707686 /nfs/dbraw/zinc/70/76/86/653707686.db2.gz WJTYKTVNQUVPPA-CPCISQLKSA-N 0 1 390.612 2.178 20 30 GEEDMN COC(=O)c1cc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000819897009 653761054 /nfs/dbraw/zinc/76/10/54/653761054.db2.gz ANFSPGGNDADXAL-JGVFFNPUSA-N 0 1 393.284 2.268 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)[C@@H](C)N2CCCCCC2)c(=O)c1C#N ZINC000791170732 653804371 /nfs/dbraw/zinc/80/43/71/653804371.db2.gz BGSHJSXDUXXNDT-CYBMUJFWSA-N 0 1 395.301 2.434 20 30 GEEDMN C[S@](=O)(=NS(=O)(=O)NCC1(C#N)CC1)c1cccc(Br)c1 ZINC000867221627 653897647 /nfs/dbraw/zinc/89/76/47/653897647.db2.gz BWHNBBTUVOKPRK-HXUWFJFHSA-N 0 1 392.300 2.044 20 30 GEEDMN CC(=O)c1cc(Br)ccc1OCC(=O)C(C#N)C(=O)NC1CC1 ZINC000796793964 654008283 /nfs/dbraw/zinc/00/82/83/654008283.db2.gz RKHHDINNZMKWFM-ZDUSSCGKSA-N 0 1 379.210 2.018 20 30 GEEDMN C[C@@]1(C#N)CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCO1 ZINC000887679251 654044666 /nfs/dbraw/zinc/04/46/66/654044666.db2.gz UCIYEFFPPPWCJM-MRXNPFEDSA-N 0 1 376.210 2.045 20 30 GEEDMN Cc1c(Br)c(C)n([N-]C(=O)c2ccc3[nH+]ccn3c2)c(=O)c1C#N ZINC000798130120 654051095 /nfs/dbraw/zinc/05/10/95/654051095.db2.gz ITIBCOFHSVZCFP-UHFFFAOYSA-N 0 1 386.209 2.131 20 30 GEEDMN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916483570 654096939 /nfs/dbraw/zinc/09/69/39/654096939.db2.gz PPZPJUXRMNODKD-XKZQISBESA-N 0 1 398.428 2.459 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000870941701 654210438 /nfs/dbraw/zinc/21/04/38/654210438.db2.gz YTCQZWAOCVEMGH-CPCISQLKSA-N 0 1 378.148 2.189 20 30 GEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000852101236 654218152 /nfs/dbraw/zinc/21/81/52/654218152.db2.gz OWFRWVXDRUZWGT-SJCJKPOMSA-N 0 1 385.917 2.309 20 30 GEEDMN O=S(=O)(c1ncc[nH]1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000921825552 654328101 /nfs/dbraw/zinc/32/81/01/654328101.db2.gz UZCFXCIJRQESHO-WDSKDSINSA-N 0 1 399.263 2.201 20 30 GEEDMN CCOc1cc(Br)c(CC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1OCC ZINC000834512575 654331287 /nfs/dbraw/zinc/33/12/87/654331287.db2.gz YVXSJPCCNMJGTH-GXTWGEPZSA-N 0 1 396.285 2.017 20 30 GEEDMN Cc1nn(-c2ccc(C(=O)N[C@@H]3CNC[C@@H]3C#N)cc2)c(C)c1Br ZINC000834516696 654331766 /nfs/dbraw/zinc/33/17/66/654331766.db2.gz KVUUWIVJDDMTQR-DZGCQCFKSA-N 0 1 388.269 2.093 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000922023349 654356034 /nfs/dbraw/zinc/35/60/34/654356034.db2.gz HBXAVLFJKDBZOU-UHFFFAOYSA-N 0 1 396.310 2.039 20 30 GEEDMN N#CC(C(=O)CS(=O)(=O)C1CC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000835060971 654360211 /nfs/dbraw/zinc/36/02/11/654360211.db2.gz HNTOZYPJCZOBBQ-GFCCVEGCSA-N 0 1 388.417 2.226 20 30 GEEDMN CN1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000872665426 654387964 /nfs/dbraw/zinc/38/79/64/654387964.db2.gz YBCWKKMVAIYCFR-GJZGRUSLSA-N 0 1 384.299 2.178 20 30 GEEDMN CC(C)(C)OC(=O)N1C[C@H](NCc2ncc(Br)cc2O)[C@@H](C#N)C1 ZINC000893575891 654408964 /nfs/dbraw/zinc/40/89/64/654408964.db2.gz KVOGFJZWUQZCTM-GWCFXTLKSA-N 0 1 397.273 2.398 20 30 GEEDMN CCn1ncc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c1Br ZINC000873491832 654431585 /nfs/dbraw/zinc/43/15/85/654431585.db2.gz QNIAKQNLOSKIPV-SECBINFHSA-N 0 1 397.254 2.464 20 30 GEEDMN CCn1ncc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)c1Br ZINC000873491832 654431590 /nfs/dbraw/zinc/43/15/90/654431590.db2.gz QNIAKQNLOSKIPV-SECBINFHSA-N 0 1 397.254 2.464 20 30 GEEDMN C#CCCN(CCOC)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000856388785 654479195 /nfs/dbraw/zinc/47/91/95/654479195.db2.gz OHLQDSRYXSLIGH-UHFFFAOYSA-N 0 1 377.238 2.403 20 30 GEEDMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000906873746 654481955 /nfs/dbraw/zinc/48/19/55/654481955.db2.gz SBOLAEHGENZYTE-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000906986163 654496488 /nfs/dbraw/zinc/49/64/88/654496488.db2.gz HTRQHXKAICLAQV-PBHICJAKSA-N 0 1 376.507 2.376 20 30 GEEDMN Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907187825 654519055 /nfs/dbraw/zinc/51/90/55/654519055.db2.gz PBIRIXDVHYZAPS-UHFFFAOYSA-N 0 1 383.271 2.263 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccc(F)c(I)c2)CC1 ZINC000928656308 654654842 /nfs/dbraw/zinc/65/48/42/654654842.db2.gz RNOCCBIEITWGOD-UHFFFAOYSA-N 0 1 386.208 2.258 20 30 GEEDMN C#CCN1CCC(NC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000928660933 654655167 /nfs/dbraw/zinc/65/51/67/654655167.db2.gz JXLOJZSZIDIXBA-XQRVVYSFSA-N 0 1 384.217 2.111 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000932177685 654769201 /nfs/dbraw/zinc/76/92/01/654769201.db2.gz CMQBEOSCVWQJKE-UHFFFAOYSA-N 0 1 390.237 2.273 20 30 GEEDMN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N=NCc3csnn3)nc2)C1 ZINC000915949325 654883183 /nfs/dbraw/zinc/88/31/83/654883183.db2.gz HDLVCZNNSTWIOV-RYUDHWBXSA-N 0 1 380.499 2.046 20 30 GEEDMN N#Cc1nc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C#N ZINC001164903847 721534083 /nfs/dbraw/zinc/53/40/83/721534083.db2.gz DGWYYRBOWSPNJI-UKRRQHHQSA-N 0 1 398.829 2.354 20 30 GEEDMN COc1cc(C#N)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164798567 721558628 /nfs/dbraw/zinc/55/86/28/721558628.db2.gz BLCPYPQAWOCBRU-ZJOUEHCJSA-N 0 1 379.464 2.225 20 30 GEEDMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc(C#N)c(C#N)n2)CC1 ZINC001165023177 721843914 /nfs/dbraw/zinc/84/39/14/721843914.db2.gz YJCCRURDGMWWKN-UHFFFAOYSA-N 0 1 392.463 2.338 20 30 GEEDMN CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000007054868 531536279 /nfs/dbraw/zinc/53/62/79/531536279.db2.gz CRHCGMVYPIQTRH-UHFFFAOYSA-N 0 1 379.463 2.046 20 30 GEEDMN N#Cc1ccc(CNC[C@@H](O)COc2ccc(I)cc2)o1 ZINC000174340975 532061175 /nfs/dbraw/zinc/06/11/75/532061175.db2.gz NIZXCWIAEFQUBE-GFCCVEGCSA-N 0 1 398.200 2.285 20 30 GEEDMN CCNC(=O)CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181440065 532298781 /nfs/dbraw/zinc/29/87/81/532298781.db2.gz GOKOWCZXBXEMGC-INIZCTEOSA-N 0 1 379.302 2.158 20 30 GEEDMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccc(Br)cc1 ZINC000557811679 532374254 /nfs/dbraw/zinc/37/42/54/532374254.db2.gz GYCVIYKFVHLYQE-CYBMUJFWSA-N 0 1 399.222 2.106 20 30 GEEDMN CN(Cc1cc(C#N)ccc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000191808028 532368489 /nfs/dbraw/zinc/36/84/89/532368489.db2.gz XHGBUZOSHRGLME-UHFFFAOYSA-N 0 1 386.315 2.177 20 30 GEEDMN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000282337919 532458703 /nfs/dbraw/zinc/45/87/03/532458703.db2.gz QUTJHHNZMZTJTG-QWRGUYRKSA-N 0 1 379.408 2.087 20 30 GEEDMN COCC(C)(C)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593176388 532473265 /nfs/dbraw/zinc/47/32/65/532473265.db2.gz FMYAJSREUUNOSG-UHFFFAOYSA-N 0 1 394.313 2.432 20 30 GEEDMN COc1cc(C(=O)NC2(C#N)CCN(C)CC2)cc(OC)c1Br ZINC000521603482 532515967 /nfs/dbraw/zinc/51/59/67/532515967.db2.gz XGCOXNMBBMGEKB-UHFFFAOYSA-N 0 1 382.258 2.184 20 30 GEEDMN C=CCN1C(=O)N=NC1SCC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000470832018 532536585 /nfs/dbraw/zinc/53/65/85/532536585.db2.gz PLLUEVMCLUEJTD-UHFFFAOYSA-N 0 1 382.873 2.453 20 30 GEEDMN CN(CC#Cc1ccc(Cl)cc1)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433045292 532553293 /nfs/dbraw/zinc/55/32/93/532553293.db2.gz MCAMSUSAXYVTKG-UHFFFAOYSA-N 0 1 378.881 2.350 20 30 GEEDMN C=CCCSCCNC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000597968662 532635645 /nfs/dbraw/zinc/63/56/45/532635645.db2.gz YKRJFHUNXCPEEB-UHFFFAOYSA-N 0 1 388.511 2.114 20 30 GEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000285587198 532693036 /nfs/dbraw/zinc/69/30/36/532693036.db2.gz XGMWHNPITIZLEL-IRXDYDNUSA-N 0 1 382.302 2.301 20 30 GEEDMN COc1cc(CNCCNS(=O)(=O)c2ccc(Cl)s2)ccc1C#N ZINC000440631705 532718917 /nfs/dbraw/zinc/71/89/17/532718917.db2.gz AOPDBJDBMDGJIC-UHFFFAOYSA-N 0 1 385.898 2.350 20 30 GEEDMN CO[C@H]1C[C@@H](CN2CCCC2)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000286327876 532740561 /nfs/dbraw/zinc/74/05/61/532740561.db2.gz JPUBZZXNDQHKIG-GJZGRUSLSA-N 0 1 383.901 2.085 20 30 GEEDMN C[C@@H]1CCCCN1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443518389 532748309 /nfs/dbraw/zinc/74/83/09/532748309.db2.gz GBEWJJHOXSJJAT-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN CN1CC[C@@H](N2CCC(NC(=O)c3csc(C(F)(F)F)n3)CC2)C1=O ZINC000329164803 532803138 /nfs/dbraw/zinc/80/31/38/532803138.db2.gz HEAZVQFSNJRBPS-LLVKDONJSA-N 0 1 376.404 2.162 20 30 GEEDMN CC(C)(O)CN1CCN(C(=O)NCc2ccsc2Br)CC1 ZINC000330417219 532817864 /nfs/dbraw/zinc/81/78/64/532817864.db2.gz BHLHMSSOZZMXAU-UHFFFAOYSA-N 0 1 376.320 2.313 20 30 GEEDMN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cc(Br)ncc1F ZINC000273824924 532835357 /nfs/dbraw/zinc/83/53/57/532835357.db2.gz DSLROTIUJQZAPT-FZPGPQOYSA-N 0 1 383.221 2.160 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1N1CCCC1 ZINC000332096282 532848926 /nfs/dbraw/zinc/84/89/26/532848926.db2.gz XIZGQWJITUDCMC-HUUCEWRRSA-N 0 1 385.942 2.412 20 30 GEEDMN N#Cc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1Br ZINC000332389843 532854294 /nfs/dbraw/zinc/85/42/94/532854294.db2.gz ZANZNSWDSQNFCP-SNVBAGLBSA-N 0 1 377.198 2.429 20 30 GEEDMN C#CCN(C(=O)CCc1nc[nH]n1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365860457 532912573 /nfs/dbraw/zinc/91/25/73/532912573.db2.gz IPBVKJGGMXJMDG-CQSZACIVSA-N 0 1 389.253 2.485 20 30 GEEDMN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1OCCc2sccc21 ZINC000292386456 532915829 /nfs/dbraw/zinc/91/58/29/532915829.db2.gz KAQYDEIPLHYMGX-YVEFUNNKSA-N 0 1 377.491 2.081 20 30 GEEDMN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000819375020 597089424 /nfs/dbraw/zinc/08/94/24/597089424.db2.gz KVSDKWAPMBAPCX-OAHLLOKOSA-N 0 1 382.382 2.360 20 30 GEEDMN N#Cc1cnc(N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(Cl)c1 ZINC000737728276 598388877 /nfs/dbraw/zinc/38/88/77/598388877.db2.gz KTUZXFDFNXUSQO-UHFFFAOYSA-N 0 1 394.870 2.499 20 30 GEEDMN COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)[O-] ZINC000737779828 600396282 /nfs/dbraw/zinc/39/62/82/600396282.db2.gz VDZXOVVLDMXJQD-UHFFFAOYSA-N 0 1 379.482 2.250 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000830079883 601020563 /nfs/dbraw/zinc/02/05/63/601020563.db2.gz BJWIQPLBDFSVMB-INIZCTEOSA-N 0 1 391.493 2.224 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000830079883 601020566 /nfs/dbraw/zinc/02/05/66/601020566.db2.gz BJWIQPLBDFSVMB-INIZCTEOSA-N 0 1 391.493 2.224 20 30 GEEDMN CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000830290302 601028425 /nfs/dbraw/zinc/02/84/25/601028425.db2.gz LBOIEMFKSSXILO-XLIONFOSSA-N 0 1 396.447 2.357 20 30 GEEDMN N#CCSc1ccccc1NC(=O)C[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC000833069193 601049128 /nfs/dbraw/zinc/04/91/28/601049128.db2.gz PAKVSAJZUZIAND-UHFFFAOYSA-N 0 1 377.466 2.196 20 30 GEEDMN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000825702701 601100484 /nfs/dbraw/zinc/10/04/84/601100484.db2.gz VTTZNDSMOAARDJ-MRXNPFEDSA-N 0 1 398.463 2.058 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](C(=O)[O-])C2)c1C#N ZINC000818758802 601113119 /nfs/dbraw/zinc/11/31/19/601113119.db2.gz JUZHHBIAJARKNJ-HNNXBMFYSA-N 0 1 384.436 2.353 20 30 GEEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](CC(=O)[O-])C3)sc2C1 ZINC000828309497 601572197 /nfs/dbraw/zinc/57/21/97/601572197.db2.gz DMPAZFHXERWNNO-CHWSQXEVSA-N 0 1 391.493 2.249 20 30 GEEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](CC(=O)[O-])C3)sc2C1 ZINC000828309497 601572199 /nfs/dbraw/zinc/57/21/99/601572199.db2.gz DMPAZFHXERWNNO-CHWSQXEVSA-N 0 1 391.493 2.249 20 30 GEEDMN N#CCCN(C(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000833065414 601894858 /nfs/dbraw/zinc/89/48/58/601894858.db2.gz BDOBTAUPWAZQGH-OAHLLOKOSA-N 0 1 381.885 2.479 20 30 GEEDMN N#CCCN(C(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000833065414 601894860 /nfs/dbraw/zinc/89/48/60/601894860.db2.gz BDOBTAUPWAZQGH-OAHLLOKOSA-N 0 1 381.885 2.479 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000832618316 601922143 /nfs/dbraw/zinc/92/21/43/601922143.db2.gz RNQHGSVQNDCZKZ-CABCVRRESA-N 0 1 391.493 2.222 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000832618316 601922146 /nfs/dbraw/zinc/92/21/46/601922146.db2.gz RNQHGSVQNDCZKZ-CABCVRRESA-N 0 1 391.493 2.222 20 30 GEEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738641117 602530679 /nfs/dbraw/zinc/53/06/79/602530679.db2.gz XKCWPLWXQSQKFN-NWDGAFQWSA-N 0 1 376.482 2.367 20 30 GEEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738641117 602530681 /nfs/dbraw/zinc/53/06/81/602530681.db2.gz XKCWPLWXQSQKFN-NWDGAFQWSA-N 0 1 376.482 2.367 20 30 GEEDMN CC(C)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)NC(=O)[O-] ZINC000738784932 602849663 /nfs/dbraw/zinc/84/96/63/602849663.db2.gz MICLBGODUYSZCG-SFHVURJKSA-N 0 1 387.484 2.068 20 30 GEEDMN CCOc1ccnc(N2CCC[N@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1 ZINC000830117213 604682539 /nfs/dbraw/zinc/68/25/39/604682539.db2.gz UFSJUVLXBBWBJM-GOSISDBHSA-N 0 1 381.436 2.085 20 30 GEEDMN COC(=O)c1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(C(=O)[O-])c1 ZINC000833712283 605200575 /nfs/dbraw/zinc/20/05/75/605200575.db2.gz DHDVQVXWYNYFJS-UHFFFAOYSA-N 0 1 393.443 2.361 20 30 GEEDMN C=CCCCC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000819734083 606252242 /nfs/dbraw/zinc/25/22/42/606252242.db2.gz HTKPDQKXMXIAKB-UHFFFAOYSA-N 0 1 383.412 2.120 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2ccc(NC(=O)OC(C)(C)C)nc2)o1 ZINC000822424574 606703028 /nfs/dbraw/zinc/70/30/28/606703028.db2.gz XFWCXLRUDUCNIQ-UHFFFAOYSA-N 0 1 385.388 2.351 20 30 GEEDMN CC(C)(C#N)c1ccccc1CN1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000819891984 607146265 /nfs/dbraw/zinc/14/62/65/607146265.db2.gz OPRPGVQLLLMSMC-UHFFFAOYSA-N 0 1 388.479 2.385 20 30 GEEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000819743344 607213885 /nfs/dbraw/zinc/21/38/85/607213885.db2.gz HDYKZEKIFXFTJP-ZDUSSCGKSA-N 0 1 380.456 2.227 20 30 GEEDMN Cc1cc(C)n2c(CN=Nc3oc(CC(C)C)nc3-c3nn[nH]n3)cnc2n1 ZINC000826265692 607886784 /nfs/dbraw/zinc/88/67/84/607886784.db2.gz JJYKMVLJMWZLCE-UHFFFAOYSA-N 0 1 380.416 2.159 20 30 GEEDMN COc1cc(O)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[nH]n2)cc1OC ZINC000826181131 608534478 /nfs/dbraw/zinc/53/44/78/608534478.db2.gz LYMFIONABJUSHO-UHFFFAOYSA-N 0 1 387.400 2.321 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2c(Cl)n(C)nc2C(F)(F)F)o1 ZINC000826323322 609374445 /nfs/dbraw/zinc/37/44/45/609374445.db2.gz ZQPDXZVWQNQCDY-UHFFFAOYSA-N 0 1 375.702 2.015 20 30 GEEDMN Cc1noc([C@H](C)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)n1 ZINC000451143341 650090000 /nfs/dbraw/zinc/09/00/00/650090000.db2.gz FKRSHOSYXVEGJD-LURJTMIESA-N 0 1 389.206 2.191 20 30 GEEDMN CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1C ZINC000475784841 650538093 /nfs/dbraw/zinc/53/80/93/650538093.db2.gz AXHQXWFEMHDJEI-UHFFFAOYSA-N 0 1 399.881 2.229 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2cc(F)ccc2I)CC1 ZINC000536789516 650807776 /nfs/dbraw/zinc/80/77/76/650807776.db2.gz HBMCTDPNQSMGDG-UHFFFAOYSA-N 0 1 387.196 2.148 20 30 GEEDMN CNC(=O)C(C#N)C(=O)CCCCc1ccc(I)cc1 ZINC000070033548 643047505 /nfs/dbraw/zinc/04/75/05/643047505.db2.gz HPJOVZXVCRMPNZ-CYBMUJFWSA-N 0 1 384.217 2.459 20 30 GEEDMN N#Cc1ccc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)nc1 ZINC000107586519 643258568 /nfs/dbraw/zinc/25/85/68/643258568.db2.gz JAAPUCREFHCLIS-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN N#Cc1ccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)nc1 ZINC000107586519 643258570 /nfs/dbraw/zinc/25/85/70/643258570.db2.gz JAAPUCREFHCLIS-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN N#CC(C(=O)CCC[S@](=O)c1ccc(Br)cc1)C(=O)NC1CC1 ZINC000117083500 643483337 /nfs/dbraw/zinc/48/33/37/643483337.db2.gz PRQRSXOFUUDHHN-QKFKETGDSA-N 0 1 397.294 2.324 20 30 GEEDMN C#CCOc1ccc(Br)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151287749 643935229 /nfs/dbraw/zinc/93/52/29/643935229.db2.gz KDLBOECNXLDWJQ-UHFFFAOYSA-N 0 1 379.214 2.356 20 30 GEEDMN C[C@@H]1[C@H](C)SCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000245839712 645470360 /nfs/dbraw/zinc/47/03/60/645470360.db2.gz JMQWOQWPOQRGMD-OWCLPIDISA-N 0 1 378.567 2.283 20 30 GEEDMN C=C(Cl)CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000265613359 645781661 /nfs/dbraw/zinc/78/16/61/645781661.db2.gz CUGNZBXAVQKWOJ-UHFFFAOYSA-N 0 1 385.295 2.289 20 30 GEEDMN C=CCOc1ccc(CNCCNS(=O)(=O)c2cccs2)cc1OC ZINC000269515828 646044086 /nfs/dbraw/zinc/04/40/86/646044086.db2.gz UOFXFQNUHNVOEB-UHFFFAOYSA-N 0 1 382.507 2.390 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1N(C)C ZINC000271092169 646172864 /nfs/dbraw/zinc/17/28/64/646172864.db2.gz KMHUZCWHXKPYLM-QWHCGFSZSA-N 0 1 393.456 2.243 20 30 GEEDMN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)n[nH]1 ZINC000278779319 646548817 /nfs/dbraw/zinc/54/88/17/646548817.db2.gz LOUUFFTXYIIVIK-MRVPVSSYSA-N 0 1 384.259 2.041 20 30 GEEDMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CCN1C ZINC000278877029 646560840 /nfs/dbraw/zinc/56/08/40/646560840.db2.gz SHEJFXCQLFROCG-YPMHNXCESA-N 0 1 386.315 2.424 20 30 GEEDMN Cc1c(NC(=O)C(=O)NCCN2CCCCC2)ccc(Br)c1C#N ZINC000425719697 648690566 /nfs/dbraw/zinc/69/05/66/648690566.db2.gz AGLSXCXVFHEXQB-UHFFFAOYSA-N 0 1 393.285 2.170 20 30 GEEDMN CC(C)(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000442858279 648851144 /nfs/dbraw/zinc/85/11/44/648851144.db2.gz VBQRFWNXIVHDIA-UHFFFAOYSA-N 0 1 379.463 2.326 20 30 GEEDMN COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443063515 648858540 /nfs/dbraw/zinc/85/85/40/648858540.db2.gz ARJYMIKVXVWDAQ-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000548985698 651090771 /nfs/dbraw/zinc/09/07/71/651090771.db2.gz HHABPTRHTOGNOH-CQSZACIVSA-N 0 1 382.917 2.260 20 30 GEEDMN N#CC1(CNC(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 ZINC000555862257 651231644 /nfs/dbraw/zinc/23/16/44/651231644.db2.gz ZUKGZHHVFKXVAO-UHFFFAOYSA-N 0 1 393.184 2.166 20 30 GEEDMN C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)C(C)C ZINC000557833680 651274493 /nfs/dbraw/zinc/27/44/93/651274493.db2.gz UFQXVAQBPLJXCH-AWEZNQCLSA-N 0 1 386.543 2.078 20 30 GEEDMN N#Cc1cccnc1N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000609287351 651615000 /nfs/dbraw/zinc/61/50/00/651615000.db2.gz HBYHXOUPZPOCCF-UHFFFAOYSA-N 0 1 387.237 2.384 20 30 GEEDMN CN1CCC(C#N)(NC(=O)/C=C\c2ccc(I)o2)CC1 ZINC000731636428 651629736 /nfs/dbraw/zinc/62/97/36/651629736.db2.gz DVKHQRHBHRBADW-HYXAFXHYSA-N 0 1 385.205 2.002 20 30 GEEDMN CN(CC(=O)Nc1cccc(Cl)c1O)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609921614 651636959 /nfs/dbraw/zinc/63/69/59/651636959.db2.gz SUVVBBGTNDWZAG-UHFFFAOYSA-N 0 1 379.825 2.176 20 30 GEEDMN CC(C)(CO)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccs1 ZINC000568683476 651676183 /nfs/dbraw/zinc/67/61/83/651676183.db2.gz LMZLRZVVZICMTQ-INIZCTEOSA-N 0 1 379.507 2.138 20 30 GEEDMN C#CCN(C[C@H](O)Cn1cccn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733198209 651693358 /nfs/dbraw/zinc/69/33/58/651693358.db2.gz YXGIWBXDTJRDML-DOTOQJQBSA-N 0 1 390.281 2.466 20 30 GEEDMN C=CCCCCCNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000569355541 651708895 /nfs/dbraw/zinc/70/88/95/651708895.db2.gz QBKPQLYOPYHIOC-UHFFFAOYSA-N 0 1 390.527 2.482 20 30 GEEDMN C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000741657076 651955220 /nfs/dbraw/zinc/95/52/20/651955220.db2.gz IVUSUHOLNDZFLT-UHFFFAOYSA-N 0 1 383.422 2.042 20 30 GEEDMN CC(N=Nc1ccccc1S(C)(=O)=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000741763438 651958629 /nfs/dbraw/zinc/95/86/29/651958629.db2.gz NQZSAQQKLZZQKR-UHFFFAOYSA-N 0 1 384.454 2.469 20 30 GEEDMN C#CCN(CC#CC)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000742711979 651998162 /nfs/dbraw/zinc/99/81/62/651998162.db2.gz AUVHUPLHAQQBHY-UHFFFAOYSA-N 0 1 377.185 2.266 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)cc1Br ZINC000618992050 652041068 /nfs/dbraw/zinc/04/10/68/652041068.db2.gz CXXGNVZQTJCZOX-ZDUSSCGKSA-N 0 1 384.299 2.083 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCNCCOCc2ccc(Cl)cc2)nc1 ZINC000581484244 652415264 /nfs/dbraw/zinc/41/52/64/652415264.db2.gz YTRSKDBRSIJXGH-UHFFFAOYSA-N 0 1 379.869 2.187 20 30 GEEDMN Cn1nc(Br)c2c1ncnc2NN=C1C(=O)Nc2c1cccc2F ZINC000753959537 652421742 /nfs/dbraw/zinc/42/17/42/652421742.db2.gz KTVUSAMRGQUGIN-UHFFFAOYSA-N 0 1 390.176 2.033 20 30 GEEDMN C#C[C@@H](CC)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000754682235 652442245 /nfs/dbraw/zinc/44/22/45/652442245.db2.gz CUYVNEVWDWNLEN-JTQLQIEISA-N 0 1 380.185 2.274 20 30 GEEDMN CN(C)c1ncc(C=[NH+][N-]c2ncnc3c2c(Br)nn3C)s1 ZINC000755682437 652472264 /nfs/dbraw/zinc/47/22/64/652472264.db2.gz GBVBIFIVOFKNHG-UHFFFAOYSA-N 0 1 381.263 2.094 20 30 GEEDMN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)Cc2cc(C)[nH]n2)n1 ZINC000755688603 652472274 /nfs/dbraw/zinc/47/22/74/652472274.db2.gz HHXFHZJQUCVENG-UHFFFAOYSA-N 0 1 375.483 2.013 20 30 GEEDMN Cn1nc(Br)c2c1ncnc2N=NCc1[nH]nnc1-c1ccccc1 ZINC000755684092 652472350 /nfs/dbraw/zinc/47/23/50/652472350.db2.gz ZSLPMDIQILEZQV-UHFFFAOYSA-N 0 1 398.228 2.357 20 30 GEEDMN N#CC[C@]1(O)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000592842658 652604428 /nfs/dbraw/zinc/60/44/28/652604428.db2.gz JCFWVJAOJAHUNQ-INIZCTEOSA-N 0 1 375.226 2.330 20 30 GEEDMN N#Cc1sccc1S(=O)(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000594831649 652690901 /nfs/dbraw/zinc/69/09/01/652690901.db2.gz UXJQVNFYENBALU-UHFFFAOYSA-N 0 1 376.507 2.205 20 30 GEEDMN CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCN1 ZINC000595412931 652724996 /nfs/dbraw/zinc/72/49/96/652724996.db2.gz PHBYRKNIEPWIJS-CYBMUJFWSA-N 0 1 390.278 2.078 20 30 GEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000767433841 652924931 /nfs/dbraw/zinc/92/49/31/652924931.db2.gz XVCSCNVZCZRGBD-ZDUSSCGKSA-N 0 1 378.431 2.121 20 30 GEEDMN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000767433841 652924936 /nfs/dbraw/zinc/92/49/36/652924936.db2.gz XVCSCNVZCZRGBD-ZDUSSCGKSA-N 0 1 378.431 2.121 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1N1CCCC1 ZINC000601396682 653090960 /nfs/dbraw/zinc/09/09/60/653090960.db2.gz GONYDWDIROCBSP-HZPDHXFCSA-N 0 1 383.514 2.206 20 30 GEEDMN C#CCOc1ccccc1CNCCNS(=O)(=O)c1cc(C)sc1C ZINC000771983554 653136038 /nfs/dbraw/zinc/13/60/38/653136038.db2.gz YTRKEFJHEHMKPL-UHFFFAOYSA-N 0 1 378.519 2.445 20 30 GEEDMN C#CCN1CCC(C(=O)O[C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000772110206 653139554 /nfs/dbraw/zinc/13/95/54/653139554.db2.gz OPBMPYIGIJZEMB-OAHLLOKOSA-N 0 1 397.244 2.003 20 30 GEEDMN C=CCN1CC[C@@H](n2cc([C@@H](N)c3ccc(Br)cc3)nn2)C1=O ZINC000641109118 653157987 /nfs/dbraw/zinc/15/79/87/653157987.db2.gz PMQVLARHDKDYKT-CABCVRRESA-N 0 1 376.258 2.048 20 30 GEEDMN NS(=O)(=O)c1ccccc1N=NCc1cc(Br)cc2c1OCC2 ZINC000773121801 653182328 /nfs/dbraw/zinc/18/23/28/653182328.db2.gz UIMAPKCRZIJCGS-UHFFFAOYSA-N 0 1 396.266 2.477 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000774078224 653223430 /nfs/dbraw/zinc/22/34/30/653223430.db2.gz JBMDMUNXLLPRPD-AWEZNQCLSA-N 0 1 394.265 2.404 20 30 GEEDMN Cn1nnc(C/N=C/c2cc(Br)cc(Br)c2O)n1 ZINC000775740701 653328097 /nfs/dbraw/zinc/32/80/97/653328097.db2.gz NGCIQAIKDBJKEP-YIXHJXPBSA-N 0 1 375.024 2.060 20 30 GEEDMN C#CCN1CCN(C(=O)CN[C@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000776837213 653379215 /nfs/dbraw/zinc/37/92/15/653379215.db2.gz GAISXFYISAPMBD-QGZVFWFLSA-N 0 1 396.304 2.406 20 30 GEEDMN CCn1ncn(N=Cc2cc(Br)cc(Br)c2O)c1=O ZINC000814235130 653625580 /nfs/dbraw/zinc/62/55/80/653625580.db2.gz WDEKUNLGHMVPDL-UHFFFAOYSA-N 0 1 390.035 2.178 20 30 GEEDMN O=C(CCNC(=O)C1N=CC=CC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682255 653609950 /nfs/dbraw/zinc/60/99/50/653609950.db2.gz AGKWSIWRIPPARQ-PEZBUJJGSA-N 0 1 384.219 2.232 20 30 GEEDMN CN1c2cc(NS(=O)(=O)c3ccc(C#N)cc3Cl)ccc2OCC1=O ZINC000779839209 653612161 /nfs/dbraw/zinc/61/21/61/653612161.db2.gz OHIOIRFXJUCGRK-UHFFFAOYSA-N 0 1 377.809 2.368 20 30 GEEDMN NS(=O)(=O)c1ccc(NN=C2CCc3sc(Br)cc32)nc1 ZINC000814799221 653639606 /nfs/dbraw/zinc/63/96/06/653639606.db2.gz ZLBDWKYESKHWLA-UHFFFAOYSA-N 0 1 387.284 2.315 20 30 GEEDMN Cn1nncc1NN=Cc1ccc(Cl)c(I)c1O ZINC000814982159 653641771 /nfs/dbraw/zinc/64/17/71/653641771.db2.gz PPBBKCCQYCKRJH-UHFFFAOYSA-N 0 1 377.573 2.225 20 30 GEEDMN COCC(COC)NN=Cc1ccc(Cl)c(I)c1O ZINC000863194497 653703304 /nfs/dbraw/zinc/70/33/04/653703304.db2.gz KRKVYIYILAWGKA-UHFFFAOYSA-N 0 1 398.628 2.235 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000841145838 653707796 /nfs/dbraw/zinc/70/77/96/653707796.db2.gz WJTYKTVNQUVPPA-HQJQHLMTSA-N 0 1 390.612 2.178 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000841199098 653710245 /nfs/dbraw/zinc/71/02/45/653710245.db2.gz BATFEXHXHMRHEV-AAEUAGOBSA-N 0 1 379.251 2.471 20 30 GEEDMN C#CCN(C(=O)CCc1c[nH]nn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000865826314 653776528 /nfs/dbraw/zinc/77/65/28/653776528.db2.gz RXKBZMDVKJUEEL-OAHLLOKOSA-N 0 1 389.253 2.485 20 30 GEEDMN C#CCN(C(=O)CCc1cnn[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000865826314 653776532 /nfs/dbraw/zinc/77/65/32/653776532.db2.gz RXKBZMDVKJUEEL-OAHLLOKOSA-N 0 1 389.253 2.485 20 30 GEEDMN C#CCN(C(=O)c1[nH]nnc1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000789951345 653783423 /nfs/dbraw/zinc/78/34/23/653783423.db2.gz YNUGVVZFXOUZNS-CYBMUJFWSA-N 0 1 375.226 2.475 20 30 GEEDMN CCN(C)c1ccc(CN=Nc2ncnc3c2c(Br)nn3C)cn1 ZINC000790165975 653787708 /nfs/dbraw/zinc/78/77/08/653787708.db2.gz ZZYGSQTYEWWGPR-UHFFFAOYSA-N 0 1 389.261 2.423 20 30 GEEDMN Brc1n[nH]c(Br)c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000793033483 653863232 /nfs/dbraw/zinc/86/32/32/653863232.db2.gz BSUKZLNDWUELQH-OCAPTIKFSA-N 0 1 390.083 2.129 20 30 GEEDMN C#CCN1CCC[C@@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000886662705 653994288 /nfs/dbraw/zinc/99/42/88/653994288.db2.gz KGVQRULRMWPJJI-GDBMZVCRSA-N 0 1 397.338 2.355 20 30 GEEDMN C#CC[C@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000829794093 654080169 /nfs/dbraw/zinc/08/01/69/654080169.db2.gz REGZLQXBSVWEKT-AWEZNQCLSA-N 0 1 392.297 2.239 20 30 GEEDMN N#CC(C(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916928066 654111414 /nfs/dbraw/zinc/11/14/14/654111414.db2.gz GRCIVJRBCYIDQK-GXSJLCMTSA-N 0 1 389.260 2.466 20 30 GEEDMN Cc1nn(-c2ccc(C(=O)N[C@@H]3CNC[C@H]3C#N)cc2)c(C)c1Br ZINC000834516698 654331794 /nfs/dbraw/zinc/33/17/94/654331794.db2.gz KVUUWIVJDDMTQR-UKRRQHHQSA-N 0 1 388.269 2.093 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000922024014 654356301 /nfs/dbraw/zinc/35/63/01/654356301.db2.gz ZGWSQOPKRIHYTB-UHFFFAOYSA-N 0 1 376.400 2.145 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000905569709 654366594 /nfs/dbraw/zinc/36/65/94/654366594.db2.gz XIUPYRGRVAYXEU-DZGCQCFKSA-N 0 1 376.400 2.422 20 30 GEEDMN CC(C)N1CCO[C@H](COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000835297989 654378305 /nfs/dbraw/zinc/37/83/05/654378305.db2.gz RDIVPEXYVKZZGW-HNNXBMFYSA-N 0 1 397.269 2.352 20 30 GEEDMN N#Cc1cccc(CN2CCC(NC(=O)c3cc(Br)n[nH]3)CC2)c1 ZINC000855034149 654394546 /nfs/dbraw/zinc/39/45/46/654394546.db2.gz UDUIHBRAJYQNKJ-UHFFFAOYSA-N 0 1 388.269 2.438 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000928653244 654654305 /nfs/dbraw/zinc/65/43/05/654654305.db2.gz FPZDPKOZVVPMTQ-UHFFFAOYSA-N 0 1 378.263 2.402 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccc(I)c(F)c2)CC1 ZINC000928658095 654654738 /nfs/dbraw/zinc/65/47/38/654654738.db2.gz LIRVLFJYZIQGRX-UHFFFAOYSA-N 0 1 386.208 2.258 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccc(OC)cc2I)CC1 ZINC000928656315 654654802 /nfs/dbraw/zinc/65/48/02/654654802.db2.gz RXJKKCVTCQGYTQ-UHFFFAOYSA-N 0 1 398.244 2.127 20 30 GEEDMN C#CCN1CCC(NC(=O)/C=C/c2ccc(I)o2)CC1 ZINC000928660931 654655138 /nfs/dbraw/zinc/65/51/38/654655138.db2.gz JXLOJZSZIDIXBA-GQCTYLIASA-N 0 1 384.217 2.111 20 30 GEEDMN C#CC1(O)CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000931144707 654730851 /nfs/dbraw/zinc/73/08/51/654730851.db2.gz BWWUKHJCMKHMBL-AWEZNQCLSA-N 0 1 379.298 2.256 20 30 GEEDMN Cn1cc(CCN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 ZINC000932945369 654795499 /nfs/dbraw/zinc/79/54/99/654795499.db2.gz WFDDRZCEJYJCEB-DTORHVGOSA-N 0 1 378.267 2.460 20 30 GEEDMN Cn1cc(CCN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 ZINC000932945371 654795530 /nfs/dbraw/zinc/79/55/30/654795530.db2.gz WFDDRZCEJYJCEB-RKDXNWHRSA-N 0 1 378.267 2.460 20 30 GEEDMN N#Cc1cc(C#N)c(N2CCc3ncc(CN4CCCC4)n3CC2)nc1Cl ZINC001164727136 720563290 /nfs/dbraw/zinc/56/32/90/720563290.db2.gz BKYPWMBZWGBCHM-UHFFFAOYSA-N 0 1 381.871 2.333 20 30 GEEDMN Cc1nc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)c(C#N)c(C)c1Cl ZINC001164795965 721508841 /nfs/dbraw/zinc/50/88/41/721508841.db2.gz OYWKEWBUQMYIPE-UHFFFAOYSA-N 0 1 399.930 2.188 20 30 GEEDMN N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902820 721528962 /nfs/dbraw/zinc/52/89/62/721528962.db2.gz BHWYGVBRBHNQQX-SJLPKXTDSA-N 0 1 383.383 2.342 20 30 GEEDMN N#Cc1cnc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981760 722106464 /nfs/dbraw/zinc/10/64/64/722106464.db2.gz MFPUMOHTQGPUTM-WBVHZDCISA-N 0 1 384.871 2.124 20 30 GEEDMN COc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(F)cc1C#N ZINC001164983344 722137688 /nfs/dbraw/zinc/13/76/88/722137688.db2.gz UMWWNOOTBDLDMA-LPHOPBHVSA-N 0 1 397.454 2.223 20 30 GEEDMN CCN(C)C(=O)CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120981928 532005634 /nfs/dbraw/zinc/00/56/34/532005634.db2.gz VBEQFIGVGYQWQH-KRWDZBQOSA-N 0 1 393.329 2.500 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)Nc2ccc3nncn3c2)c1 ZINC000181078697 532290665 /nfs/dbraw/zinc/29/06/65/532290665.db2.gz MXWWPGCSTXTHMM-UHFFFAOYSA-N 0 1 378.211 2.164 20 30 GEEDMN CC(C)OCCN1CCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000185024924 532336602 /nfs/dbraw/zinc/33/66/02/532336602.db2.gz RINUUBSGIREHSF-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN C#CCNC(=O)[C@H](C)Sc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191312507 532360403 /nfs/dbraw/zinc/36/04/03/532360403.db2.gz JSPSMGBGHOXGTN-VIFPVBQESA-N 0 1 395.282 2.473 20 30 GEEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)n1 ZINC000187522979 532344662 /nfs/dbraw/zinc/34/46/62/532344662.db2.gz VFIUZBNQLDLBSL-GFCCVEGCSA-N 0 1 378.479 2.402 20 30 GEEDMN CO[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1Cl ZINC000591754141 532421194 /nfs/dbraw/zinc/42/11/94/532421194.db2.gz FGKRQVWNRCOEOJ-MRXNPFEDSA-N 0 1 379.869 2.358 20 30 GEEDMN CN1CCC[C@@H](CNS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1cccs1 ZINC000518843020 532447889 /nfs/dbraw/zinc/44/78/89/532447889.db2.gz QDFOINXITSDNBN-YOEHRIQHSA-N 0 1 376.507 2.376 20 30 GEEDMN CCN(CCC#N)C(=O)CN1CCC(Cn2cc(Br)cn2)CC1 ZINC000374694471 532514201 /nfs/dbraw/zinc/51/42/01/532514201.db2.gz PGJKFOMWBNXBEV-UHFFFAOYSA-N 0 1 382.306 2.120 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1Br ZINC000296362319 532515379 /nfs/dbraw/zinc/51/53/79/532515379.db2.gz WTMUFRQEFXECJA-ZDUSSCGKSA-N 0 1 396.270 2.355 20 30 GEEDMN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000374399383 532500965 /nfs/dbraw/zinc/50/09/65/532500965.db2.gz BHRZJRWLPJADQM-HZPDHXFCSA-N 0 1 384.571 2.276 20 30 GEEDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cn1C ZINC000432780508 532544655 /nfs/dbraw/zinc/54/46/55/532544655.db2.gz OANZZHDIXZZGSD-UHFFFAOYSA-N 0 1 398.238 2.247 20 30 GEEDMN CC[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1 ZINC000245909081 532526530 /nfs/dbraw/zinc/52/65/30/532526530.db2.gz UWNBIBIDRNFKRS-JKSUJKDBSA-N 0 1 378.567 2.284 20 30 GEEDMN CC(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000564552958 532527145 /nfs/dbraw/zinc/52/71/45/532527145.db2.gz FCZQPLMEIBZDGF-UHFFFAOYSA-N 0 1 379.463 2.077 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)cc1Br ZINC000432770977 532545834 /nfs/dbraw/zinc/54/58/34/532545834.db2.gz ZAGBCYDSNCBZDW-UHFFFAOYSA-N 0 1 398.213 2.360 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)cc1Br ZINC000375746898 532581432 /nfs/dbraw/zinc/58/14/32/532581432.db2.gz XXBHBCFWYPLCCB-ZDUSSCGKSA-N 0 1 384.299 2.180 20 30 GEEDMN COc1ccc(CCC(=O)NC2(C#N)CCN(C)CC2)c(Br)c1 ZINC000597165481 532613975 /nfs/dbraw/zinc/61/39/75/532613975.db2.gz JMOWIUMIDMLUJS-UHFFFAOYSA-N 0 1 380.286 2.494 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000284884124 532629941 /nfs/dbraw/zinc/62/99/41/532629941.db2.gz TWWWPVCHNTTXBK-QMTHXVAHSA-N 0 1 381.274 2.285 20 30 GEEDMN C#CCNC(=O)[C@H](C)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263723754 532637153 /nfs/dbraw/zinc/63/71/53/532637153.db2.gz OYHMORPFEZDASS-ZDUSSCGKSA-N 0 1 392.297 2.238 20 30 GEEDMN CN(C)[C@@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCSC1 ZINC000410159880 532736001 /nfs/dbraw/zinc/73/60/01/532736001.db2.gz WJVGKDIQGHLVRW-CQSZACIVSA-N 0 1 393.456 2.293 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCN1C ZINC000411243504 532751458 /nfs/dbraw/zinc/75/14/58/532751458.db2.gz LRFXGDJDISDXMG-ZDUSSCGKSA-N 0 1 396.285 2.163 20 30 GEEDMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000329073416 532802295 /nfs/dbraw/zinc/80/22/95/532802295.db2.gz OTYUAZDQHLLFGM-RYUDHWBXSA-N 0 1 386.543 2.060 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1N(C)C ZINC000330374269 532817609 /nfs/dbraw/zinc/81/76/09/532817609.db2.gz MNVUJJKNMAEEFL-KGLIPLIRSA-N 0 1 393.456 2.243 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H]1N1CCCC1 ZINC000332096278 532848785 /nfs/dbraw/zinc/84/87/85/532848785.db2.gz XIZGQWJITUDCMC-CABCVRRESA-N 0 1 385.942 2.412 20 30 GEEDMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000289864341 532866745 /nfs/dbraw/zinc/86/67/45/532866745.db2.gz NIHRBQGGJMGTQP-CYBMUJFWSA-N 0 1 386.315 2.426 20 30 GEEDMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000420730061 532885972 /nfs/dbraw/zinc/88/59/72/532885972.db2.gz CXKCBNNCOXLVDQ-NSHDSACASA-N 0 1 390.278 2.175 20 30 GEEDMN N#Cc1cccc([C@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CCO2)c1 ZINC000371359412 532947767 /nfs/dbraw/zinc/94/77/67/532947767.db2.gz JGRZEJRYNXREIX-GFCCVEGCSA-N 0 1 378.504 2.391 20 30 GEEDMN CCC(CC)NN=Cc1c(C)c(-c2nn[nH]n2)c2[nH]c3ccccc3n2c1=O ZINC000736345071 599010878 /nfs/dbraw/zinc/01/08/78/599010878.db2.gz DSUUVWOVCHQNMM-UHFFFAOYSA-N 0 1 378.440 2.381 20 30 GEEDMN C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000735381622 599097673 /nfs/dbraw/zinc/09/76/73/599097673.db2.gz WWOIKDMJQVWYBA-UHFFFAOYSA-N 0 1 387.396 2.127 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000737467729 599128702 /nfs/dbraw/zinc/12/87/02/599128702.db2.gz RPFQOOQZNTXLQP-JTQLQIEISA-N 0 1 376.421 2.256 20 30 GEEDMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1C#N ZINC000818763230 597534801 /nfs/dbraw/zinc/53/48/01/597534801.db2.gz QBEHZBQHKHQABY-QGZVFWFLSA-N 0 1 380.448 2.370 20 30 GEEDMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1C#N ZINC000818763230 597534802 /nfs/dbraw/zinc/53/48/02/597534802.db2.gz QBEHZBQHKHQABY-QGZVFWFLSA-N 0 1 380.448 2.370 20 30 GEEDMN C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819824125 597647002 /nfs/dbraw/zinc/64/70/02/597647002.db2.gz XTQPVFOTZAZISX-RHSMWYFYSA-N 0 1 383.370 2.400 20 30 GEEDMN COC(=O)c1ccc(O)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[nH]n2)c1 ZINC000736949952 598363284 /nfs/dbraw/zinc/36/32/84/598363284.db2.gz WMMWICOMHOULTQ-UHFFFAOYSA-N 0 1 385.384 2.090 20 30 GEEDMN C#CCOc1cccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000735381559 598495762 /nfs/dbraw/zinc/49/57/62/598495762.db2.gz VVOJYAQPWPBDGG-UHFFFAOYSA-N 0 1 389.824 2.333 20 30 GEEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NCc2cc(-c3cccnc3)n[nH]2)o1 ZINC000820108030 599336199 /nfs/dbraw/zinc/33/61/99/599336199.db2.gz FTSUQLZQYYZWTE-UHFFFAOYSA-N 0 1 378.400 2.284 20 30 GEEDMN Cc1cc(CN=Nc2oc(CC(C)C)nc2-c2nn[nH]n2)ccc1-n1cncn1 ZINC000822198690 599337394 /nfs/dbraw/zinc/33/73/94/599337394.db2.gz GRIPUQIEGQNXRO-UHFFFAOYSA-N 0 1 392.427 2.388 20 30 GEEDMN N#C[C@H](C(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1nc2ccccc2c(=O)[nH]1 ZINC000739074784 599711910 /nfs/dbraw/zinc/71/19/10/599711910.db2.gz LRHMQCCYFIYUHB-WNOSKKOXSA-N 0 1 394.431 2.229 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000738425969 599976668 /nfs/dbraw/zinc/97/66/68/599976668.db2.gz QSAZRJJHTBBOHA-AWEZNQCLSA-N 0 1 377.466 2.003 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000738425969 599976671 /nfs/dbraw/zinc/97/66/71/599976671.db2.gz QSAZRJJHTBBOHA-AWEZNQCLSA-N 0 1 377.466 2.003 20 30 GEEDMN Cc1ccccc1CC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738770242 600566782 /nfs/dbraw/zinc/56/67/82/600566782.db2.gz YFEFIFICJAHKRN-OAQYLSRUSA-N 0 1 377.444 2.379 20 30 GEEDMN C[NH+]1CCN(C(=O)Cc2ccc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)CC1 ZINC000830946496 601302267 /nfs/dbraw/zinc/30/22/67/601302267.db2.gz OTIMKJWNHOAHIP-OAQYLSRUSA-N 0 1 392.459 2.113 20 30 GEEDMN C[N@@H+](CCN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000830781331 601315122 /nfs/dbraw/zinc/31/51/22/601315122.db2.gz XCGMKZMWHFSJQE-JOCHJYFZSA-N 0 1 392.503 2.434 20 30 GEEDMN C[N@@H+](CCN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000830781332 601315318 /nfs/dbraw/zinc/31/53/18/601315318.db2.gz XCGMKZMWHFSJQE-QFIPXVFZSA-N 0 1 392.503 2.434 20 30 GEEDMN COc1sc(CN=Nc2oc(C)nc2-c2nn[nH]n2)cc1Br ZINC000826222285 607531080 /nfs/dbraw/zinc/53/10/80/607531080.db2.gz QMTUUZCRYNEFPS-UHFFFAOYSA-N 0 1 384.219 2.442 20 30 GEEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738605767 602647905 /nfs/dbraw/zinc/64/79/05/602647905.db2.gz XRHUFKRWVIBOOI-UONOGXRCSA-N 0 1 376.482 2.466 20 30 GEEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738605767 602647906 /nfs/dbraw/zinc/64/79/06/602647906.db2.gz XRHUFKRWVIBOOI-UONOGXRCSA-N 0 1 376.482 2.466 20 30 GEEDMN C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[C@H]1NC(=O)[O-] ZINC000739178974 602781030 /nfs/dbraw/zinc/78/10/30/602781030.db2.gz AFGKYZWWOAZBGN-SMDDNHRTSA-N 0 1 376.482 2.415 20 30 GEEDMN COc1ccc(Br)c(CN=Nc2oc(C)nc2-c2nn[nH]n2)c1 ZINC000826186979 607652847 /nfs/dbraw/zinc/65/28/47/607652847.db2.gz SZCXOJRCDLEGIZ-UHFFFAOYSA-N 0 1 378.190 2.380 20 30 GEEDMN C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCN(C(=O)[O-])CC1 ZINC000828168239 603993589 /nfs/dbraw/zinc/99/35/89/603993589.db2.gz GCXOKUIDNFITSR-HNNXBMFYSA-N 0 1 379.420 2.298 20 30 GEEDMN C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000833628909 604607354 /nfs/dbraw/zinc/60/73/54/604607354.db2.gz CBWHAUQPAGOILJ-IERDGZPVSA-N 0 1 379.460 2.496 20 30 GEEDMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000833626675 605115881 /nfs/dbraw/zinc/11/58/81/605115881.db2.gz RARKGIVCKRJTIH-OAHLLOKOSA-N 0 1 397.431 2.351 20 30 GEEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000833626675 605115885 /nfs/dbraw/zinc/11/58/85/605115885.db2.gz RARKGIVCKRJTIH-OAHLLOKOSA-N 0 1 397.431 2.351 20 30 GEEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000833623789 605158457 /nfs/dbraw/zinc/15/84/57/605158457.db2.gz GGWNAGKFOQVGOL-OAHLLOKOSA-N 0 1 394.431 2.367 20 30 GEEDMN N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833974634 605521401 /nfs/dbraw/zinc/52/14/01/605521401.db2.gz URBUKBYHTOIBOV-RDTXWAMCSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833974634 605521404 /nfs/dbraw/zinc/52/14/04/605521404.db2.gz URBUKBYHTOIBOV-RDTXWAMCSA-N 0 1 388.443 2.168 20 30 GEEDMN CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc(C#N)ccc1O ZINC000824207369 607999070 /nfs/dbraw/zinc/99/90/70/607999070.db2.gz VGHVFFOCQJGSAI-QGZVFWFLSA-N 0 1 378.392 2.486 20 30 GEEDMN N#Cc1cccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1Br ZINC000450056577 650059106 /nfs/dbraw/zinc/05/91/06/650059106.db2.gz LNXPEMPHUYWJOT-ZDUSSCGKSA-N 0 1 378.270 2.115 20 30 GEEDMN CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2CC#N)cn1C ZINC000451059451 650082816 /nfs/dbraw/zinc/08/28/16/650082816.db2.gz WNBFWXJVOINXEZ-UHFFFAOYSA-N 0 1 380.857 2.247 20 30 GEEDMN Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)cc2n(C)c1=O ZINC000502795955 650412306 /nfs/dbraw/zinc/41/23/06/650412306.db2.gz MUHOZBZMEYIFDV-UHFFFAOYSA-N 0 1 376.825 2.203 20 30 GEEDMN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCN(C)CC1 ZINC000522171961 650623204 /nfs/dbraw/zinc/62/32/04/650623204.db2.gz YQVDHTZLIUNPOM-NSHDSACASA-N 0 1 383.279 2.216 20 30 GEEDMN C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000066813970 642940022 /nfs/dbraw/zinc/94/00/22/642940022.db2.gz ZACGINGGTASJLW-NSHDSACASA-N 0 1 378.479 2.319 20 30 GEEDMN C#CCOc1ccccc1CNCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000127818202 643786155 /nfs/dbraw/zinc/78/61/55/643786155.db2.gz RSHHJVIMYQZBMK-UHFFFAOYSA-N 0 1 384.910 2.482 20 30 GEEDMN N#CC(C(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130485184 643840470 /nfs/dbraw/zinc/84/04/70/643840470.db2.gz RIQNQSVSKJKBFC-NOZJJQNGSA-N 0 1 389.260 2.466 20 30 GEEDMN C=CC[NH+]1CCC(NC(=O)c2cc(I)ccc2[O-])CC1 ZINC000171566446 644327273 /nfs/dbraw/zinc/32/72/73/644327273.db2.gz VOSAJZNLSUEUSY-UHFFFAOYSA-N 0 1 386.233 2.377 20 30 GEEDMN COc1ccc(NC(=O)N2CCN(CC(C)(C)O)CC2)cc1Br ZINC000330708521 647347815 /nfs/dbraw/zinc/34/78/15/647347815.db2.gz NPFAYOJJZFSQAM-UHFFFAOYSA-N 0 1 386.290 2.392 20 30 GEEDMN CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000330835987 647355123 /nfs/dbraw/zinc/35/51/23/647355123.db2.gz RHKFUNWZGHNDBP-LLVKDONJSA-N 0 1 390.278 2.222 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1N1CCCC1 ZINC000332107932 647411970 /nfs/dbraw/zinc/41/19/70/647411970.db2.gz ZZURHMMRYITYAR-HZPDHXFCSA-N 0 1 385.942 2.412 20 30 GEEDMN C=CCNC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)OC)c2)cc1 ZINC000438783122 648803955 /nfs/dbraw/zinc/80/39/55/648803955.db2.gz BFXALHQULCKZAG-UHFFFAOYSA-N 0 1 380.447 2.251 20 30 GEEDMN CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443479628 648878891 /nfs/dbraw/zinc/87/88/91/648878891.db2.gz ZYZPMKDUNUKXMJ-AWEZNQCLSA-N 0 1 386.315 2.473 20 30 GEEDMN CC(C)(C)c1nnc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1 ZINC000443493634 648880283 /nfs/dbraw/zinc/88/02/83/648880283.db2.gz XIGHCVZBPSFTGA-UHFFFAOYSA-N 0 1 381.439 2.094 20 30 GEEDMN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cc(C#N)ccc1C ZINC000549934705 651103704 /nfs/dbraw/zinc/10/37/04/651103704.db2.gz BMPCQWKRZUSQKT-UHFFFAOYSA-N 0 1 380.447 2.080 20 30 GEEDMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)nn1CCC#N ZINC000550436527 651111362 /nfs/dbraw/zinc/11/13/62/651111362.db2.gz FTFFRGOUCFLZBS-UHFFFAOYSA-N 0 1 382.829 2.346 20 30 GEEDMN Cn1nc(Br)c2c1ncnc2NN=C1C(=O)Nc2ccc(F)cc21 ZINC000726740924 651500789 /nfs/dbraw/zinc/50/07/89/651500789.db2.gz IZSZEGFHHXSWTK-UHFFFAOYSA-N 0 1 390.176 2.033 20 30 GEEDMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000610657979 651676352 /nfs/dbraw/zinc/67/63/52/651676352.db2.gz XRALDVHKXNDHEX-CQSZACIVSA-N 0 1 386.315 2.473 20 30 GEEDMN Cc1nnc([C@H](C)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)o1 ZINC000573535998 651962981 /nfs/dbraw/zinc/96/29/81/651962981.db2.gz LIOUQVQJCODDJD-LURJTMIESA-N 0 1 389.206 2.191 20 30 GEEDMN C#CCSCCNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000742699289 651998419 /nfs/dbraw/zinc/99/84/19/651998419.db2.gz RKFFCWYVLYKOJN-UHFFFAOYSA-N 0 1 385.230 2.264 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)cc1Br ZINC000618992049 652041111 /nfs/dbraw/zinc/04/11/11/652041111.db2.gz CXXGNVZQTJCZOX-CYBMUJFWSA-N 0 1 384.299 2.083 20 30 GEEDMN N#CCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000746592335 652115912 /nfs/dbraw/zinc/11/59/12/652115912.db2.gz WGHDNFQERKGMPV-UHFFFAOYSA-N 0 1 375.288 2.134 20 30 GEEDMN O=C([O-])COc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1Br ZINC000753941147 652420832 /nfs/dbraw/zinc/42/08/32/652420832.db2.gz XRLSYBPIXDKTRD-CHWSQXEVSA-N 0 1 395.257 2.106 20 30 GEEDMN C[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)N1CCc2sccc2C1 ZINC000754977986 652454327 /nfs/dbraw/zinc/45/43/27/652454327.db2.gz BXYIEQVKZFGIEE-GFCCVEGCSA-N 0 1 376.507 2.126 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCN(C)C1 ZINC000662517519 652465665 /nfs/dbraw/zinc/46/56/65/652465665.db2.gz ICHQOEWRHJDRGZ-ZDUSSCGKSA-N 0 1 396.285 2.163 20 30 GEEDMN C=CCc1ccccc1OC[C@H](O)CNCc1ccc(S(C)(=O)=O)s1 ZINC000583807841 652498070 /nfs/dbraw/zinc/49/80/70/652498070.db2.gz DCNYFUXUWUJFNM-OAHLLOKOSA-N 0 1 381.519 2.410 20 30 GEEDMN COC(=O)c1ccc(NN=C(C)c2ccc(Cl)c(S(N)(=O)=O)c2)nc1 ZINC000758126562 652531273 /nfs/dbraw/zinc/53/12/73/652531273.db2.gz IXZSXPOHLZVHGE-UHFFFAOYSA-N 0 1 382.829 2.005 20 30 GEEDMN CN1CCN(C(C)(C)CNC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000588312981 652551803 /nfs/dbraw/zinc/55/18/03/652551803.db2.gz XZDLRWVNKQBANH-UHFFFAOYSA-N 0 1 394.317 2.468 20 30 GEEDMN N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1ccncn1 ZINC000760345298 652604555 /nfs/dbraw/zinc/60/45/55/652604555.db2.gz LDYQUVCCFGJKPU-RYUDHWBXSA-N 0 1 385.221 2.468 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)N1CCN(C2CCOCC2)CC1 ZINC000593084555 652614106 /nfs/dbraw/zinc/61/41/06/652614106.db2.gz RUATYYXAAWSRCL-UHFFFAOYSA-N 0 1 392.297 2.186 20 30 GEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000766622371 652889114 /nfs/dbraw/zinc/88/91/14/652889114.db2.gz HBDKPLJENNPERV-CYBMUJFWSA-N 0 1 378.431 2.121 20 30 GEEDMN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000766622371 652889116 /nfs/dbraw/zinc/88/91/16/652889116.db2.gz HBDKPLJENNPERV-CYBMUJFWSA-N 0 1 378.431 2.121 20 30 GEEDMN Cc1[nH]n(-c2cc(C#N)ccc2Br)c(=O)c1[C@H]1CCS(=O)(=O)C1 ZINC000601945706 653132038 /nfs/dbraw/zinc/13/20/38/653132038.db2.gz AGSMOMZOXXBACZ-FZMZJTMJSA-N 0 1 396.266 2.094 20 30 GEEDMN C[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)N(C)C ZINC000602094466 653147442 /nfs/dbraw/zinc/14/74/42/653147442.db2.gz UIOKTTKTLUECJG-CZUORRHYSA-N 0 1 379.302 2.108 20 30 GEEDMN CC(=NNCC(C)(C)S(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000774478934 653239296 /nfs/dbraw/zinc/23/92/96/653239296.db2.gz IUKROEDOCDUHFA-UHFFFAOYSA-N 0 1 381.267 2.431 20 30 GEEDMN Cn1cc(C=NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)c(Cl)n1 ZINC000857207615 653298519 /nfs/dbraw/zinc/29/85/19/653298519.db2.gz YXMZTYMPILETNI-UHFFFAOYSA-N 0 1 382.877 2.135 20 30 GEEDMN C=C(C)COCCNS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000777997419 653417563 /nfs/dbraw/zinc/41/75/63/653417563.db2.gz SLBVBNMBRKJTEW-UHFFFAOYSA-N 0 1 398.300 2.168 20 30 GEEDMN CC(=[NH+][N-]c1ccc(S(=O)(=O)N2CCCCC2)cn1)c1csc(N)n1 ZINC000812436794 653427794 /nfs/dbraw/zinc/42/77/94/653427794.db2.gz KIOASSRJIZESSZ-UHFFFAOYSA-N 0 1 380.499 2.131 20 30 GEEDMN Oc1c(C=NN[C@@H]2CCC[C@H]2O)ccc(Cl)c1I ZINC000817336938 653708442 /nfs/dbraw/zinc/70/84/42/653708442.db2.gz PPRPUJSNUFOQKA-NXEZZACHSA-N 0 1 380.613 2.487 20 30 GEEDMN C#CCN(C(=O)[C@H](O)c1c[nH]cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000865825767 653776443 /nfs/dbraw/zinc/77/64/43/653776443.db2.gz GJYIIQVBOVOEAQ-GDBMZVCRSA-N 0 1 390.237 2.191 20 30 GEEDMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000843459496 653787380 /nfs/dbraw/zinc/78/73/80/653787380.db2.gz FKPRDHLHAZRIOM-IUODEOHRSA-N 0 1 388.269 2.093 20 30 GEEDMN C=C(C)C[C@H](NS(=O)(=O)Cc1ncsc1Br)C(=O)OCC ZINC000882644831 653794286 /nfs/dbraw/zinc/79/42/86/653794286.db2.gz COUPDXOQZPEGFX-VIFPVBQESA-N 0 1 397.316 2.223 20 30 GEEDMN COc1cccc(NC(=O)C(C#N)C(=O)c2cnn(C)c2Br)c1 ZINC000791771571 653823681 /nfs/dbraw/zinc/82/36/81/653823681.db2.gz OHILSJFMYHPAJQ-NSHDSACASA-N 0 1 377.198 2.152 20 30 GEEDMN C[C@@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)CCN1CC(C)(C)O ZINC000883103830 653827314 /nfs/dbraw/zinc/82/73/14/653827314.db2.gz HCTFYELKKBZIJI-LLVKDONJSA-N 0 1 396.289 2.025 20 30 GEEDMN N#Cc1ccc(Br)c(CN2CC(CNC(=O)C(F)(F)F)C2)c1 ZINC000895879234 653854825 /nfs/dbraw/zinc/85/48/25/653854825.db2.gz JZGIQXMJZXOMGP-UHFFFAOYSA-N 0 1 376.176 2.431 20 30 GEEDMN CC(C)(C#N)CNS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC000867081169 653876168 /nfs/dbraw/zinc/87/61/68/653876168.db2.gz WGMDJZROTFZKTC-HXUWFJFHSA-N 0 1 394.316 2.290 20 30 GEEDMN C=CCOCCCNS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000849459259 654040220 /nfs/dbraw/zinc/04/02/20/654040220.db2.gz OALMXBWRWCFZKX-UHFFFAOYSA-N 0 1 398.300 2.168 20 30 GEEDMN CN1CC[C@@H](CNS(=O)(=O)Cc2csc(C#N)c2)[C@@H]1c1cccnc1 ZINC000916309635 654091385 /nfs/dbraw/zinc/09/13/85/654091385.db2.gz XNAMGKYTUGKNEZ-RDJZCZTQSA-N 0 1 376.507 2.127 20 30 GEEDMN Brc1cc(C=NNc2ncnc3nc[nH]c32)cc2c1OCCO2 ZINC000917555466 654127462 /nfs/dbraw/zinc/12/74/62/654127462.db2.gz LCTBHZDHLOKQAB-UHFFFAOYSA-N 0 1 375.186 2.333 20 30 GEEDMN N#CC(C(=O)COc1ccc(Br)cn1)C(=O)NC1CCCCC1 ZINC000870139631 654146396 /nfs/dbraw/zinc/14/63/96/654146396.db2.gz WEJWOJSLHBYDQK-ZDUSSCGKSA-N 0 1 380.242 2.381 20 30 GEEDMN C#CC[C@@H](CCOC)NS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000918463126 654151566 /nfs/dbraw/zinc/15/15/66/654151566.db2.gz NSVWMGJFEIVCNM-MCFWBGNESA-N 0 1 398.428 2.296 20 30 GEEDMN C#C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCOCC1 ZINC000851827870 654185295 /nfs/dbraw/zinc/18/52/95/654185295.db2.gz RXEAGFJHHWINIW-LBPRGKRZSA-N 0 1 376.793 2.094 20 30 GEEDMN C[C@H]1CCN(S(=O)(=O)CC(C)(C)CC#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000831538411 654190349 /nfs/dbraw/zinc/19/03/49/654190349.db2.gz CGTHNZAQWAWIHJ-SRVKXCTJSA-N 0 1 383.436 2.033 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000870941706 654210410 /nfs/dbraw/zinc/21/04/10/654210410.db2.gz YTCQZWAOCVEMGH-RDDDGLTNSA-N 0 1 378.148 2.189 20 30 GEEDMN CC(C)(C)OC(=O)NCC[C@@H](NS(=O)(=O)CC1(C#N)CCC1)C(F)F ZINC000831970871 654220758 /nfs/dbraw/zinc/22/07/58/654220758.db2.gz HBGBSKHTERUGJV-LLVKDONJSA-N 0 1 381.445 2.148 20 30 GEEDMN COc1cccc(Br)c1CS(=O)(=O)Nc1c(C#N)c(C)nn1C ZINC000903173229 654223814 /nfs/dbraw/zinc/22/38/14/654223814.db2.gz MMUZMPPLDLNCAH-UHFFFAOYSA-N 0 1 399.270 2.313 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CCC(N3CCC3)CC2)cc1Br ZINC000903204495 654226612 /nfs/dbraw/zinc/22/66/12/654226612.db2.gz QRNUFKMYRWZJPQ-UHFFFAOYSA-N 0 1 384.299 2.180 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)CCCCc1ccc(I)cc1 ZINC000834495737 654330397 /nfs/dbraw/zinc/33/03/97/654330397.db2.gz YSOQMGVRNVIISL-DZGCQCFKSA-N 0 1 397.260 2.232 20 30 GEEDMN CO[C@]1(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCS(=O)(=O)C1 ZINC000892538145 654350395 /nfs/dbraw/zinc/35/03/95/654350395.db2.gz ISXKWPGYOPNTOR-MEBBXXQBSA-N 0 1 384.866 2.330 20 30 GEEDMN N#Cc1ccc(Br)c(CN[C@@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000922283638 654381386 /nfs/dbraw/zinc/38/13/86/654381386.db2.gz FVRYJZNADLVHLY-CQSZACIVSA-N 0 1 398.268 2.127 20 30 GEEDMN Cc1nc(CNc2n[nH]c(N3CCOCC3)c2C#N)sc1Br ZINC000922359690 654386262 /nfs/dbraw/zinc/38/62/62/654386262.db2.gz AGFBENQYFUBLOM-UHFFFAOYSA-N 0 1 383.275 2.258 20 30 GEEDMN N#C[C@]1(c2ccccn2)CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000855303548 654411082 /nfs/dbraw/zinc/41/10/82/654411082.db2.gz FPRPGQDCLNGFAY-OAHLLOKOSA-N 0 1 377.520 2.398 20 30 GEEDMN C#CCN1CCC[C@H]1C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC000856203896 654469826 /nfs/dbraw/zinc/46/98/26/654469826.db2.gz TYNPPNUFGAWESN-ZDUSSCGKSA-N 0 1 394.216 2.204 20 30 GEEDMN N#Cc1cc(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)ccc1Br ZINC000907054862 654504793 /nfs/dbraw/zinc/50/47/93/654504793.db2.gz VYCGPMRQOULGBO-ZDUSSCGKSA-N 0 1 381.255 2.400 20 30 GEEDMN C#CC[N@@H+](C)CCCNC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000909038518 654650909 /nfs/dbraw/zinc/65/09/09/654650909.db2.gz XEAGJPCXJPAZCX-QGZVFWFLSA-N 0 1 396.285 2.003 20 30 GEEDMN C#CCN1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CC1 ZINC000928653489 654654360 /nfs/dbraw/zinc/65/43/60/654654360.db2.gz OBZIZINVWVVFCE-MRXNPFEDSA-N 0 1 381.929 2.370 20 30 GEEDMN C#CCN1CCC(NC(=O)c2c(F)cccc2I)CC1 ZINC000928656116 654654796 /nfs/dbraw/zinc/65/47/96/654654796.db2.gz LTEFJCPBPCSGTP-UHFFFAOYSA-N 0 1 386.208 2.258 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC1 ZINC000928659868 654655172 /nfs/dbraw/zinc/65/51/72/654655172.db2.gz BVDFLXNXZZCPQZ-UHFFFAOYSA-N 0 1 378.263 2.402 20 30 GEEDMN C[C@](O)(C[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC000930519627 654712269 /nfs/dbraw/zinc/71/22/69/654712269.db2.gz KONWOMQIIJTCLO-WPRPVWTQSA-N 0 1 386.283 2.326 20 30 GEEDMN C[C@@](O)(C[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC000930519626 654712319 /nfs/dbraw/zinc/71/23/19/654712319.db2.gz KONWOMQIIJTCLO-WCBMZHEXSA-N 0 1 386.283 2.326 20 30 GEEDMN Cc1cc(I)cc(C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000932177984 654769147 /nfs/dbraw/zinc/76/91/47/654769147.db2.gz GXQSJBFDEGPGBT-UHFFFAOYSA-N 0 1 383.233 2.317 20 30 GEEDMN CN(C)CC#CCNC(=O)c1c(Cl)ccc(I)c1F ZINC000913524283 654797085 /nfs/dbraw/zinc/79/70/85/654797085.db2.gz GVZMQWWVCCJNDP-UHFFFAOYSA-N 0 1 394.615 2.379 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)N1CCN(CCCCCO)CC1 ZINC000913695228 654804852 /nfs/dbraw/zinc/80/48/52/654804852.db2.gz WTQOIHDKBVJCST-UHFFFAOYSA-N 0 1 394.313 2.170 20 30 GEEDMN CN(C)S(=O)(=O)c1ccc(OCCN(C)Cc2cc(C#N)cs2)cc1 ZINC000933779845 654827453 /nfs/dbraw/zinc/82/74/53/654827453.db2.gz IAVUWECBAUSFRT-UHFFFAOYSA-N 0 1 379.507 2.381 20 30 GEEDMN COCCOc1ccc(NC(=O)NCC#CCN(C)C)cc1Br ZINC000933989766 654833402 /nfs/dbraw/zinc/83/34/02/654833402.db2.gz RKHXMYNBEHYWFP-UHFFFAOYSA-N 0 1 384.274 2.161 20 30 GEEDMN C=CC[C@H](CO)CNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914328566 654845513 /nfs/dbraw/zinc/84/55/13/654845513.db2.gz CZRHJKOYVMSBKG-BSNNYGBQSA-N 0 1 386.417 2.052 20 30 GEEDMN COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC000914376013 654849479 /nfs/dbraw/zinc/84/94/79/654849479.db2.gz RIQYYOUMULOVTG-ZDUSSCGKSA-N 0 1 378.372 2.089 20 30 GEEDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2 ZINC001164684218 719700494 /nfs/dbraw/zinc/70/04/94/719700494.db2.gz NPFQVOMYCZKXSK-UHFFFAOYSA-N 0 1 397.857 2.332 20 30 GEEDMN N#Cc1ccc(-c2ccncc2)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739368 720753164 /nfs/dbraw/zinc/75/31/64/720753164.db2.gz IJHYPKFBAIYHQE-OALUTQOASA-N 0 1 399.458 2.147 20 30 GEEDMN N#Cc1cc(C#N)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164865775 721085704 /nfs/dbraw/zinc/08/57/04/721085704.db2.gz PLAGITLFKMTQLQ-QZTJIDSGSA-N 0 1 394.866 2.353 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(C#N)cc4Cl)C3)O2)CC1 ZINC001164890992 721386232 /nfs/dbraw/zinc/38/62/32/721386232.db2.gz PZBBVCAYJXEVHN-YLJYHZDGSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(Cl)c(C#N)n4)C3)O2)CC1 ZINC001164893547 721386863 /nfs/dbraw/zinc/38/68/63/721386863.db2.gz VBPCMDZKSSZIAC-OXJNMPFZSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(Cl)c(C#N)n4)C3)O2)CC1 ZINC001164893546 721387056 /nfs/dbraw/zinc/38/70/56/721387056.db2.gz VBPCMDZKSSZIAC-JXFKEZNVSA-N 0 1 389.931 2.372 20 30 GEEDMN CN(C)C(=O)CN1CCC2(CCCN2c2ncc3c(c2C#N)CCCC3)CC1 ZINC001165012851 721750046 /nfs/dbraw/zinc/75/00/46/721750046.db2.gz OYPMOQBNFUTGFJ-UHFFFAOYSA-N 0 1 381.524 2.355 20 30 GEEDMN Cc1ccc(CN2CCOC3(CCN(c4cnc(C#N)c(C#N)n4)CC3)C2)cc1 ZINC001164938634 721932096 /nfs/dbraw/zinc/93/20/96/721932096.db2.gz CAKQCMRXTRLRPC-UHFFFAOYSA-N 0 1 388.475 2.400 20 30 GEEDMN N#Cc1ncc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982835 722105986 /nfs/dbraw/zinc/10/59/86/722105986.db2.gz PHIPQZADAAKYHI-WBVHZDCISA-N 0 1 384.871 2.124 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000153966052 531615137 /nfs/dbraw/zinc/61/51/37/531615137.db2.gz DBWFHXPVOLACGB-UHFFFAOYSA-N 0 1 380.223 2.220 20 30 GEEDMN COc1ccsc1S(=O)(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000155099907 531656557 /nfs/dbraw/zinc/65/65/57/531656557.db2.gz RMDKIEFVZKREHG-UHFFFAOYSA-N 0 1 379.507 2.381 20 30 GEEDMN O=C(NCCNCc1cc(Br)cc2c1OCC2)C1N=CC=CC1=O ZINC000155923171 531704504 /nfs/dbraw/zinc/70/45/04/531704504.db2.gz XLIPVYOCQMQBQW-BMRADRMJSA-N 0 1 392.253 2.000 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(I)c2)cn1 ZINC000164963146 531871843 /nfs/dbraw/zinc/87/18/43/531871843.db2.gz XGVHNDSDZYOISO-UHFFFAOYSA-N 0 1 385.186 2.359 20 30 GEEDMN COC(=O)C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccs1 ZINC000124149731 532115732 /nfs/dbraw/zinc/11/57/32/532115732.db2.gz SYPNAEWPIWGOED-GFCCVEGCSA-N 0 1 386.401 2.481 20 30 GEEDMN C[C@H](CC#N)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179896151 532249181 /nfs/dbraw/zinc/24/91/81/532249181.db2.gz GYHPJGUSGJVYOP-MRVPVSSYSA-N 0 1 381.173 2.165 20 30 GEEDMN N#Cc1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c(Br)c1 ZINC000180927416 532285533 /nfs/dbraw/zinc/28/55/33/532285533.db2.gz HGVVJRVDAMHRQU-INIZCTEOSA-N 0 1 392.297 2.392 20 30 GEEDMN COC(=O)CCN1CCN(Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000181232290 532293739 /nfs/dbraw/zinc/29/37/39/532293739.db2.gz NYMMRTDIAUJROO-ZDUSSCGKSA-N 0 1 380.286 2.390 20 30 GEEDMN C[C@@H]1[C@H](C)SCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000182790009 532317372 /nfs/dbraw/zinc/31/73/72/532317372.db2.gz JMQWOQWPOQRGMD-PMPSAXMXSA-N 0 1 378.567 2.283 20 30 GEEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2NCCC(N)=O)c1 ZINC000187003372 532342924 /nfs/dbraw/zinc/34/29/24/532342924.db2.gz GMZLPKAJMXAIMI-UHFFFAOYSA-N 0 1 378.841 2.300 20 30 GEEDMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccc(Br)cc1 ZINC000557811681 532374239 /nfs/dbraw/zinc/37/42/39/532374239.db2.gz GYCVIYKFVHLYQE-ZDUSSCGKSA-N 0 1 399.222 2.106 20 30 GEEDMN N#CC(C(=O)c1cc(Br)c[nH]c1=O)c1nnc2n1CCCCC2 ZINC000621706813 532366045 /nfs/dbraw/zinc/36/60/45/532366045.db2.gz COIUQSTVBQYIGK-NSHDSACASA-N 0 1 376.214 2.358 20 30 GEEDMN C#CCO[C@@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000294834469 532386353 /nfs/dbraw/zinc/38/63/53/532386353.db2.gz XQHQONODKNBGGQ-ZDUSSCGKSA-N 0 1 380.286 2.178 20 30 GEEDMN Cc1ncc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc1C#N ZINC000427102921 532410884 /nfs/dbraw/zinc/41/08/84/532410884.db2.gz UNCBTIOGYXTBOA-UHFFFAOYSA-N 0 1 378.841 2.418 20 30 GEEDMN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)o2)c1Br ZINC000517616202 532421564 /nfs/dbraw/zinc/42/15/64/532421564.db2.gz GOJGHCYENLMODY-UHFFFAOYSA-N 0 1 384.211 2.074 20 30 GEEDMN N#Cc1cnc2c(Br)cccc2c1N1CCN(CCCO)CC1 ZINC000281589819 532424733 /nfs/dbraw/zinc/42/47/33/532424733.db2.gz GVNSPFWAVBZBBU-UHFFFAOYSA-N 0 1 375.270 2.373 20 30 GEEDMN C[C@H]1CC[N@@H+](CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592767973 532461402 /nfs/dbraw/zinc/46/14/02/532461402.db2.gz CHVQRKDAIVMKHV-ZDUSSCGKSA-N 0 1 391.313 2.215 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000562690930 532477626 /nfs/dbraw/zinc/47/76/26/532477626.db2.gz CFHCGZWXABDNRG-JTQLQIEISA-N 0 1 375.226 2.096 20 30 GEEDMN CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(F)(F)F ZINC000594701172 532520982 /nfs/dbraw/zinc/52/09/82/532520982.db2.gz VMWKCRYHDIRDHE-LLVKDONJSA-N 0 1 384.763 2.374 20 30 GEEDMN CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000594799661 532531669 /nfs/dbraw/zinc/53/16/69/532531669.db2.gz OSBJYBSGXUMHLT-GFCCVEGCSA-N 0 1 386.315 2.472 20 30 GEEDMN CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433010647 532553388 /nfs/dbraw/zinc/55/33/88/532553388.db2.gz YKZVSDQNYXVGGR-ZDUSSCGKSA-N 0 1 386.315 2.473 20 30 GEEDMN CCCN1CC[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000595353965 532559102 /nfs/dbraw/zinc/55/91/02/532559102.db2.gz KPZJYSWKMFZOOM-NSHDSACASA-N 0 1 390.278 2.222 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000284884121 532630038 /nfs/dbraw/zinc/63/00/38/532630038.db2.gz TWWWPVCHNTTXBK-IINYFYTJSA-N 0 1 381.274 2.285 20 30 GEEDMN C=CCNC(=O)CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263682322 532634238 /nfs/dbraw/zinc/63/42/38/532634238.db2.gz IMQGVYYKEFEIBG-UHFFFAOYSA-N 0 1 380.286 2.402 20 30 GEEDMN N#CCC1CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 ZINC000598033370 532637680 /nfs/dbraw/zinc/63/76/80/532637680.db2.gz WUNBAZMUVPEJOP-UHFFFAOYSA-N 0 1 393.184 2.118 20 30 GEEDMN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1O ZINC000532015627 532643097 /nfs/dbraw/zinc/64/30/97/532643097.db2.gz HVUJYBIOIFMUTI-SNVBAGLBSA-N 0 1 379.825 2.223 20 30 GEEDMN C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cc1 ZINC000532846805 532658030 /nfs/dbraw/zinc/65/80/30/532658030.db2.gz UYBHQFTWRGAUML-UHFFFAOYSA-N 0 1 381.845 2.426 20 30 GEEDMN CC[C@H](CC#N)NCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000568763380 532685936 /nfs/dbraw/zinc/68/59/36/532685936.db2.gz HXVBCKOSNPZTOF-GFCCVEGCSA-N 0 1 386.905 2.201 20 30 GEEDMN Cc1cc(C(=O)N2CCN(c3cc(C#N)c(Br)cn3)[C@H](C)C2)n[nH]1 ZINC000603396626 532693177 /nfs/dbraw/zinc/69/31/77/532693177.db2.gz SGRQNALWSLSQOT-LLVKDONJSA-N 0 1 389.257 2.098 20 30 GEEDMN C[C@H]1CCCCN1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443518391 532748409 /nfs/dbraw/zinc/74/84/09/532748409.db2.gz GBEWJJHOXSJJAT-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000331428378 532839315 /nfs/dbraw/zinc/83/93/15/532839315.db2.gz BUELBIQAGSMXBT-ZUZCIYMTSA-N 0 1 384.299 2.082 20 30 GEEDMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000367675760 532926583 /nfs/dbraw/zinc/92/65/83/532926583.db2.gz ZXCUWZQEVCPKEO-LBPRGKRZSA-N 0 1 386.315 2.426 20 30 GEEDMN COc1ccc(C=NNc2nnc(-c3ccccc3)n2C)cc1-c1nn[nH]n1 ZINC000737082938 599129429 /nfs/dbraw/zinc/12/94/29/599129429.db2.gz MVIJQBGUNNJIDV-UHFFFAOYSA-N 0 1 375.396 2.117 20 30 GEEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000822814264 607326887 /nfs/dbraw/zinc/32/68/87/607326887.db2.gz DQCUDSUVINLJFK-UHFFFAOYSA-N 0 1 376.355 2.497 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000739066189 600512536 /nfs/dbraw/zinc/51/25/36/600512536.db2.gz GYMAJJIZJHVBBY-HZPDHXFCSA-N 0 1 394.431 2.179 20 30 GEEDMN Cc1c(C(=O)C=Cc2cc(O)ccc2[N+](=O)[O-])c(-c2nn[nH]n2)c2n1CCC2 ZINC000822016038 607460239 /nfs/dbraw/zinc/46/02/39/607460239.db2.gz UHLVEITVYRTIGY-QPJJXVBHSA-N 0 1 380.364 2.433 20 30 GEEDMN C#CCNC(=O)C1CC[NH+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000825618459 600820452 /nfs/dbraw/zinc/82/04/52/600820452.db2.gz CCUBNOJMRQVXEE-UHFFFAOYSA-N 0 1 383.473 2.470 20 30 GEEDMN C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830706020 601900613 /nfs/dbraw/zinc/90/06/13/601900613.db2.gz AACHMVSLTVNHPL-SCLBCKFNSA-N 0 1 394.349 2.473 20 30 GEEDMN Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)ccc1Cl ZINC000740076807 601948335 /nfs/dbraw/zinc/94/83/35/601948335.db2.gz DLSWEBGHJXQEFS-AWEZNQCLSA-N 0 1 378.860 2.485 20 30 GEEDMN Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)ccc1Cl ZINC000740076807 601948336 /nfs/dbraw/zinc/94/83/36/601948336.db2.gz DLSWEBGHJXQEFS-AWEZNQCLSA-N 0 1 378.860 2.485 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737886520 602536394 /nfs/dbraw/zinc/53/63/94/602536394.db2.gz NUSUOIUEWLQRPN-UHFFFAOYSA-N 0 1 388.468 2.406 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000739509236 602792333 /nfs/dbraw/zinc/79/23/33/602792333.db2.gz XXJOEIJUNGZSFP-QAPCUYQASA-N 0 1 388.468 2.310 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000739509236 602792334 /nfs/dbraw/zinc/79/23/34/602792334.db2.gz XXJOEIJUNGZSFP-QAPCUYQASA-N 0 1 388.468 2.310 20 30 GEEDMN C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000833376773 605025400 /nfs/dbraw/zinc/02/54/00/605025400.db2.gz BMHOBGGKJAPHFN-UHFFFAOYSA-N 0 1 392.399 2.332 20 30 GEEDMN C=CCc1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)cc(OC)c1OC ZINC000833378077 605112906 /nfs/dbraw/zinc/11/29/06/605112906.db2.gz IPVURZXGBULUGF-AWEZNQCLSA-N 0 1 376.453 2.053 20 30 GEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000833835414 605893962 /nfs/dbraw/zinc/89/39/62/605893962.db2.gz YZWMGNLNKJTWHW-NWDGAFQWSA-N 0 1 376.482 2.415 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1N1CCCC1 ZINC000445709800 649963917 /nfs/dbraw/zinc/96/39/17/649963917.db2.gz OZOKXJQPZTWSFF-GJZGRUSLSA-N 0 1 385.942 2.412 20 30 GEEDMN C[C@@H](N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc(C#N)c1 ZINC000820420238 606309138 /nfs/dbraw/zinc/30/91/38/606309138.db2.gz NVOUFEXPGDJCMA-IAQYHMDHSA-N 0 1 379.449 2.256 20 30 GEEDMN C[C@H](N[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc(C#N)c1 ZINC000820420239 606309224 /nfs/dbraw/zinc/30/92/24/606309224.db2.gz NVOUFEXPGDJCMA-NHYWBVRUSA-N 0 1 379.449 2.256 20 30 GEEDMN Cc1nc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)oc1-c1ccc(Cl)cc1 ZINC000822449575 606793574 /nfs/dbraw/zinc/79/35/74/606793574.db2.gz FCXOUWMIWDJUIY-UHFFFAOYSA-N 0 1 381.787 2.182 20 30 GEEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NCc2ccc(N3CCCC3)nc2)o1 ZINC000820108781 606916904 /nfs/dbraw/zinc/91/69/04/606916904.db2.gz SKHLTIQVBYDUNI-UHFFFAOYSA-N 0 1 381.444 2.494 20 30 GEEDMN COc1ccc(-c2nn[nH]n2)cc1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000826185077 608151281 /nfs/dbraw/zinc/15/12/81/608151281.db2.gz XMTYKLKCGWGCIH-UHFFFAOYSA-N 0 1 394.435 2.263 20 30 GEEDMN N#Cc1cc(F)ccc1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826384261 608366291 /nfs/dbraw/zinc/36/62/91/608366291.db2.gz NPNNLDLSSXRUJN-UHFFFAOYSA-N 0 1 380.387 2.069 20 30 GEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449915257 650055741 /nfs/dbraw/zinc/05/57/41/650055741.db2.gz XNJSZGZBJGMAJZ-MRXNPFEDSA-N 0 1 380.286 2.498 20 30 GEEDMN CS(=O)(=O)c1c(F)cc(NS(=O)(=O)c2ccccc2CC#N)cc1F ZINC000475818318 650540496 /nfs/dbraw/zinc/54/04/96/650540496.db2.gz SEKIGYPBZLXYRB-UHFFFAOYSA-N 0 1 386.401 2.235 20 30 GEEDMN CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@]2(C)Br)cc1 ZINC000528925620 650699190 /nfs/dbraw/zinc/69/91/90/650699190.db2.gz VTWXIAJTWJTZAX-IGCXYCKISA-N 0 1 392.253 2.209 20 30 GEEDMN C=CCN1C(=O)N=NC1SCc1cc(=O)n2cc(Br)ccc2n1 ZINC000531596752 650741570 /nfs/dbraw/zinc/74/15/70/650741570.db2.gz IAJVERRWWHMHNT-UHFFFAOYSA-N 0 1 394.254 2.232 20 30 GEEDMN N#CC(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccccn1 ZINC000046439423 642612043 /nfs/dbraw/zinc/61/20/43/642612043.db2.gz VJGLMTURRNRGHL-AWEZNQCLSA-N 0 1 375.475 2.347 20 30 GEEDMN CCN(CC#N)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000536782100 650807670 /nfs/dbraw/zinc/80/76/70/650807670.db2.gz DDUHJUJJSHCGCT-UHFFFAOYSA-N 0 1 381.173 2.118 20 30 GEEDMN CS(=O)(=O)CCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000108938140 643285797 /nfs/dbraw/zinc/28/57/97/643285797.db2.gz LEINCHDUAKOHPU-GFCCVEGCSA-N 0 1 377.249 2.466 20 30 GEEDMN CS(=O)(=O)CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000108938083 643285937 /nfs/dbraw/zinc/28/59/37/643285937.db2.gz YQKXUUHZCSIPRP-JTQLQIEISA-N 0 1 377.249 2.466 20 30 GEEDMN CCn1c(SCC(=O)C(C#N)C(=O)NC2CC2)nnc1-c1cccs1 ZINC000129396252 643822424 /nfs/dbraw/zinc/82/24/24/643822424.db2.gz YLILMPOTPIHFRA-LLVKDONJSA-N 0 1 375.479 2.106 20 30 GEEDMN COCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(F)c(C#N)c1Cl ZINC000277102515 646376864 /nfs/dbraw/zinc/37/68/64/646376864.db2.gz WZFJJBWNKRTBQZ-CQSZACIVSA-N 0 1 383.832 2.333 20 30 GEEDMN C=CC[C@H](CC)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000281703250 646790317 /nfs/dbraw/zinc/79/03/17/646790317.db2.gz ZVBDSIUNHSXTPC-LBPRGKRZSA-N 0 1 376.500 2.090 20 30 GEEDMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)n[nH]1 ZINC000293619435 647216127 /nfs/dbraw/zinc/21/61/27/647216127.db2.gz HQCUBIXNEZCNOR-VIFPVBQESA-N 0 1 390.241 2.038 20 30 GEEDMN COc1ccc(NC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c(Br)c1 ZINC000330538105 647343319 /nfs/dbraw/zinc/34/33/19/647343319.db2.gz KXUVGXXUOUKNHB-VXGBXAGGSA-N 0 1 386.290 2.390 20 30 GEEDMN C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000370284741 647783875 /nfs/dbraw/zinc/78/38/75/647783875.db2.gz GJKBEKRSALEHET-UHFFFAOYSA-N 0 1 380.813 2.452 20 30 GEEDMN C#CCN1CCC(C(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000375816174 647834853 /nfs/dbraw/zinc/83/48/53/647834853.db2.gz QPJZRQSAHQKPAO-UHFFFAOYSA-N 0 1 379.302 2.154 20 30 GEEDMN CCN(C[C@H](C)C#N)S(=O)(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000409597516 647972028 /nfs/dbraw/zinc/97/20/28/647972028.db2.gz NBJKXNGVAIPYQF-OAHLLOKOSA-N 0 1 386.949 2.430 20 30 GEEDMN COCC(COC)N1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000411866161 648036985 /nfs/dbraw/zinc/03/69/85/648036985.db2.gz VQEVSRWBCJCKLZ-UHFFFAOYSA-N 0 1 382.302 2.100 20 30 GEEDMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416429533 648125406 /nfs/dbraw/zinc/12/54/06/648125406.db2.gz ZCUHSQHOJULSKG-IINYFYTJSA-N 0 1 384.299 2.082 20 30 GEEDMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CN1C1CC1 ZINC000419677350 648363109 /nfs/dbraw/zinc/36/31/09/648363109.db2.gz NZCOQVAWEPWPJG-ZYHUDNBSSA-N 0 1 391.269 2.001 20 30 GEEDMN COc1c(NS(=O)(=O)c2cc(C#N)ccc2C)cc(Cl)cc1C(N)=O ZINC000560009406 651303261 /nfs/dbraw/zinc/30/32/61/651303261.db2.gz KLTCYUMQCALKLS-UHFFFAOYSA-N 0 1 379.825 2.428 20 30 GEEDMN Cn1cc(CNCC(=O)Nc2ccc(I)cc2)cc1C#N ZINC000561290090 651477687 /nfs/dbraw/zinc/47/76/87/651477687.db2.gz VPAWSAYXJZDAAW-UHFFFAOYSA-N 0 1 394.216 2.230 20 30 GEEDMN CS(=O)(=O)N1CCCC[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420139 651600952 /nfs/dbraw/zinc/60/09/52/651600952.db2.gz ABIIWBWERKLGLG-DGCLKSJQSA-N 0 1 381.454 2.426 20 30 GEEDMN C#CCN(C[C@@H](O)Cn1cccn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733198211 651693121 /nfs/dbraw/zinc/69/31/21/651693121.db2.gz YXGIWBXDTJRDML-NVXWUHKLSA-N 0 1 390.281 2.466 20 30 GEEDMN CN(CCCc1[nH]nc(N)c1C#N)Cc1cn2cc(Br)ccc2n1 ZINC000611172665 651712403 /nfs/dbraw/zinc/71/24/03/651712403.db2.gz BBZJICYSCCXYRF-UHFFFAOYSA-N 0 1 388.273 2.338 20 30 GEEDMN C=C(Cl)CNS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000736342722 651819306 /nfs/dbraw/zinc/81/93/06/651819306.db2.gz YLUCMRBHNQVMQL-UHFFFAOYSA-N 0 1 386.626 2.406 20 30 GEEDMN CCn1c(CNC[C@H](O)CN(C)CCC#N)nc2cc(Br)ccc21 ZINC000572993069 651927382 /nfs/dbraw/zinc/92/73/82/651927382.db2.gz MEUKNUXVCVWTCZ-AWEZNQCLSA-N 0 1 394.317 2.115 20 30 GEEDMN Cc1nnc([C@@H](C)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)o1 ZINC000573535999 651963075 /nfs/dbraw/zinc/96/30/75/651963075.db2.gz LIOUQVQJCODDJD-ZCFIWIBFSA-N 0 1 389.206 2.191 20 30 GEEDMN N#C[C@]1(NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCSC1 ZINC000618200758 651995927 /nfs/dbraw/zinc/99/59/27/651995927.db2.gz UIKJCZQBPINJEO-OAHLLOKOSA-N 0 1 378.251 2.420 20 30 GEEDMN CC(=O)NCc1ccc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)s1 ZINC000743144986 652012738 /nfs/dbraw/zinc/01/27/38/652012738.db2.gz SWPSAJGMHYNTJY-GFCCVEGCSA-N 0 1 377.447 2.182 20 30 GEEDMN CC(=O)NCc1ccc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)s1 ZINC000743144986 652012746 /nfs/dbraw/zinc/01/27/46/652012746.db2.gz SWPSAJGMHYNTJY-GFCCVEGCSA-N 0 1 377.447 2.182 20 30 GEEDMN COc1cccc([C@@H](C#N)NC(=O)CSc2n[nH]c(=S)s2)c1OC ZINC000747379048 652160126 /nfs/dbraw/zinc/16/01/26/652160126.db2.gz BDYATQTZLWLQFV-SECBINFHSA-N 0 1 382.492 2.317 20 30 GEEDMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000577665174 652205581 /nfs/dbraw/zinc/20/55/81/652205581.db2.gz FALQSSANDQVJRQ-UHFFFAOYSA-N 0 1 385.917 2.333 20 30 GEEDMN N#Cc1cc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)ccc1Cl ZINC000754904768 652451161 /nfs/dbraw/zinc/45/11/61/652451161.db2.gz LGLAFZFOQCEIIJ-UHFFFAOYSA-N 0 1 375.793 2.391 20 30 GEEDMN NS(=O)(=O)c1ccc(NN=Cc2sc(Cl)nc2Cl)c([N+](=O)[O-])c1 ZINC000755465936 652465849 /nfs/dbraw/zinc/46/58/49/652465849.db2.gz UGFOLBRPCHCAII-UHFFFAOYSA-N 0 1 396.237 2.452 20 30 GEEDMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000588118057 652547946 /nfs/dbraw/zinc/54/79/46/652547946.db2.gz ZZNIMGPKZNONFO-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN N#Cc1cnn2cc(CN3CCC(n4cc(Br)cn4)CC3)cnc12 ZINC000592501254 652597840 /nfs/dbraw/zinc/59/78/40/652597840.db2.gz NKMDUQLWAPKVOR-UHFFFAOYSA-N 0 1 386.257 2.397 20 30 GEEDMN N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000597608522 652783606 /nfs/dbraw/zinc/78/36/06/652783606.db2.gz BMQWGZAHPKYBHS-SECBINFHSA-N 0 1 377.198 2.429 20 30 GEEDMN C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)n1cnc(C#N)n1 ZINC000600470172 652917590 /nfs/dbraw/zinc/91/75/90/652917590.db2.gz GXXMHVZPTCVFED-HZMBPMFUSA-N 0 1 381.267 2.437 20 30 GEEDMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)n[nH]1 ZINC000601426355 653094108 /nfs/dbraw/zinc/09/41/08/653094108.db2.gz ZARHNOWEEBWGMO-SNVBAGLBSA-N 0 1 383.271 2.262 20 30 GEEDMN C[C@@H](CCC#N)CN1CCN(c2ncc(I)cn2)CC1 ZINC000602732275 653203498 /nfs/dbraw/zinc/20/34/98/653203498.db2.gz GLBRELRGXZXYII-LBPRGKRZSA-N 0 1 385.253 2.143 20 30 GEEDMN CON(C)C(=O)CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000808741381 653234581 /nfs/dbraw/zinc/23/45/81/653234581.db2.gz FQRUGKVELSTYJG-INIZCTEOSA-N 0 1 395.301 2.041 20 30 GEEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)c1 ZINC000811687394 653401814 /nfs/dbraw/zinc/40/18/14/653401814.db2.gz OKGQSSPISLGCIZ-QHCPKHFHSA-N 0 1 375.353 2.381 20 30 GEEDMN C=CCCCS(=O)(=O)N[C@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1 ZINC000859245001 653428045 /nfs/dbraw/zinc/42/80/45/653428045.db2.gz QVYPEKKRSZLDKF-LSDHHAIUSA-N 0 1 375.874 2.191 20 30 GEEDMN Cn1nncc1NN=Cc1cc(Br)cc(Br)c1O ZINC000814979814 653641735 /nfs/dbraw/zinc/64/17/35/653641735.db2.gz SJCIFCRDVILVDC-UHFFFAOYSA-N 0 1 375.024 2.492 20 30 GEEDMN C[C@]1(Br)C[C@H]1C(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000860694784 653634287 /nfs/dbraw/zinc/63/42/87/653634287.db2.gz PCOGKJOLOPPQKD-XUJVJEKNSA-N 0 1 380.198 2.093 20 30 GEEDMN CC(=NNC1CCS(=O)(=O)CC1)c1cc(Br)cc(F)c1O ZINC000783860233 653685855 /nfs/dbraw/zinc/68/58/55/653685855.db2.gz WSXGCCZIFMPBFL-UHFFFAOYSA-N 0 1 379.251 2.185 20 30 GEEDMN COc1cc(CN=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)sn1 ZINC000817323345 653708469 /nfs/dbraw/zinc/70/84/69/653708469.db2.gz XEAHGMYHDQTKLR-UHFFFAOYSA-N 0 1 381.483 2.167 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000841199105 653710217 /nfs/dbraw/zinc/71/02/17/653710217.db2.gz BATFEXHXHMRHEV-WCQYABFASA-N 0 1 379.251 2.471 20 30 GEEDMN C#C[C@H](NC(=O)N1CCN(C[C@@H](C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000820611566 653778069 /nfs/dbraw/zinc/77/80/69/653778069.db2.gz LTNFXVAJQMLBNV-CPUCHLNUSA-N 0 1 394.313 2.220 20 30 GEEDMN CCOC(=O)CON=C(C(=O)Nc1ccc(Br)cc1)c1ccn[nH]1 ZINC000789939790 653783288 /nfs/dbraw/zinc/78/32/88/653783288.db2.gz SXGXGDYTIOOWGL-UHFFFAOYSA-N 0 1 395.213 2.095 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1CCN1CC ZINC000882483502 653784350 /nfs/dbraw/zinc/78/43/50/653784350.db2.gz BYJVVWDZZNASMN-ZDUSSCGKSA-N 0 1 396.285 2.309 20 30 GEEDMN CS(C)(=O)=NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000820801497 653784391 /nfs/dbraw/zinc/78/43/91/653784391.db2.gz PKZLJVJUEVLASX-UHFFFAOYSA-N 0 1 377.447 2.227 20 30 GEEDMN CN1CCN(S(=O)(=O)c2ccc(N=NCc3ccsc3Cl)nc2)CC1 ZINC000790150033 653787494 /nfs/dbraw/zinc/78/74/94/653787494.db2.gz IOCPVZCYYZFRIZ-UHFFFAOYSA-N 0 1 399.929 2.179 20 30 GEEDMN C[C@@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000792660172 653848346 /nfs/dbraw/zinc/84/83/46/653848346.db2.gz AWINCYNBOCTBMQ-JTQLQIEISA-N 0 1 385.854 2.222 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884250315 653869376 /nfs/dbraw/zinc/86/93/76/653869376.db2.gz BTVICJYGQIMVGP-GZMMTYOYSA-N 0 1 397.323 2.404 20 30 GEEDMN NS(=O)(=O)c1cc(C(=NNCCN2CCCCC2)C2CC2)ccc1Cl ZINC000794496271 653909648 /nfs/dbraw/zinc/90/96/48/653909648.db2.gz YAFQCEGSKGADRE-UHFFFAOYSA-N 0 1 384.933 2.177 20 30 GEEDMN N#Cc1ccc(N2CCN(C(=O)c3cc(Br)[nH]n3)CC2)c(F)c1 ZINC000825197491 653920657 /nfs/dbraw/zinc/92/06/57/653920657.db2.gz MUQAQSKAVLEYKW-UHFFFAOYSA-N 0 1 378.205 2.145 20 30 GEEDMN N#Cc1cc(S(=O)(=O)Nc2ccc(F)cc2-c2nn[nH]n2)ccc1Cl ZINC000826383979 653950155 /nfs/dbraw/zinc/95/01/55/653950155.db2.gz ALIGEZDEOPHFLG-UHFFFAOYSA-N 0 1 378.776 2.332 20 30 GEEDMN C=C(Cl)C[C@@H](NS(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)OCC ZINC000867592211 653957892 /nfs/dbraw/zinc/95/78/92/653957892.db2.gz UZXAJLXCAJABDT-GFCCVEGCSA-N 0 1 378.878 2.466 20 30 GEEDMN C#C[C@H](NS(=O)(=O)c1scnc1C(=O)OC)c1ccc(Cl)cc1F ZINC000796088418 653985403 /nfs/dbraw/zinc/98/54/03/653985403.db2.gz FKTKMZUXMKUXBJ-NSHDSACASA-N 0 1 388.829 2.375 20 30 GEEDMN C#CCC1(NCc2nnnn2-c2ccccc2Br)CCOCC1 ZINC000887124762 654020959 /nfs/dbraw/zinc/02/09/59/654020959.db2.gz SBZHWAIONRCTBW-UHFFFAOYSA-N 0 1 376.258 2.087 20 30 GEEDMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900576621 654070820 /nfs/dbraw/zinc/07/08/20/654070820.db2.gz FSEZQWAQIIUKJH-INIZCTEOSA-N 0 1 388.269 2.124 20 30 GEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCc2ccc(I)cc21 ZINC000850459858 654078043 /nfs/dbraw/zinc/07/80/43/654078043.db2.gz IHBZRVUGSPFIDG-CQSZACIVSA-N 0 1 391.274 2.469 20 30 GEEDMN COc1ccnc(N2CCN(C(=O)Nc3nc(Cl)c(C#N)s3)CC2)c1 ZINC000888410745 654082136 /nfs/dbraw/zinc/08/21/36/654082136.db2.gz BRWSOSOWLJFNLW-UHFFFAOYSA-N 0 1 378.845 2.426 20 30 GEEDMN N#C[C@@]1(C(=O)Nc2nc3ccc(I)cc3[nH]2)CCCOC1 ZINC000869293998 654084796 /nfs/dbraw/zinc/08/47/96/654084796.db2.gz DFSCAKYHBKZHQK-AWEZNQCLSA-N 0 1 396.188 2.426 20 30 GEEDMN C#CC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)C(=O)OC ZINC000916251145 654088593 /nfs/dbraw/zinc/08/85/93/654088593.db2.gz CTZZWLXEGNURQN-NSHDSACASA-N 0 1 394.674 2.087 20 30 GEEDMN COC(=O)c1cc(S(=O)(=O)N[C@@H](CC#N)C(F)(F)F)c(Cl)cc1F ZINC000901771168 654148153 /nfs/dbraw/zinc/14/81/53/654148153.db2.gz ABURVWRJZJPXFR-JTQLQIEISA-N 0 1 388.726 2.389 20 30 GEEDMN C#C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCOCC1 ZINC000851827869 654185325 /nfs/dbraw/zinc/18/53/25/654185325.db2.gz RXEAGFJHHWINIW-GFCCVEGCSA-N 0 1 376.793 2.094 20 30 GEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000852101234 654218000 /nfs/dbraw/zinc/21/80/00/654218000.db2.gz OWFRWVXDRUZWGT-PXAZEXFGSA-N 0 1 385.917 2.309 20 30 GEEDMN C=CCNC(=O)NC(=O)CN1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920762954 654220642 /nfs/dbraw/zinc/22/06/42/654220642.db2.gz ZFKRKFPIKFMOAL-OAHLLOKOSA-N 0 1 380.286 2.468 20 30 GEEDMN COc1cccc(S(C)(=O)=O)c1NN=Cc1cc(C(F)(F)F)nn1C ZINC000853334215 654292707 /nfs/dbraw/zinc/29/27/07/654292707.db2.gz UVCUMYVMDNXMCN-UHFFFAOYSA-N 0 1 376.360 2.297 20 30 GEEDMN N#Cc1ccc(Cl)c(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)c1 ZINC000803835210 654293610 /nfs/dbraw/zinc/29/36/10/654293610.db2.gz HLCSIQIRBJGGMV-UHFFFAOYSA-N 0 1 375.793 2.391 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000834494409 654330263 /nfs/dbraw/zinc/33/02/63/654330263.db2.gz MTRBMWCYBHTLSD-VXNVDRBHSA-N 0 1 383.296 2.475 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)CCCCc1ccc(I)cc1 ZINC000834495740 654330392 /nfs/dbraw/zinc/33/03/92/654330392.db2.gz YSOQMGVRNVIISL-ZFWWWQNUSA-N 0 1 397.260 2.232 20 30 GEEDMN CCCOc1c(Br)cc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1OC ZINC000834506751 654330897 /nfs/dbraw/zinc/33/08/97/654330897.db2.gz VOHRZIQWRROUFX-YPMHNXCESA-N 0 1 382.258 2.088 20 30 GEEDMN CNC(=O)[C@H](C)Oc1ccc(Br)cc1C=N[N-]c1[nH+]ccn1C ZINC000834976799 654356424 /nfs/dbraw/zinc/35/64/24/654356424.db2.gz OKILKPXEGGPOGC-JTQLQIEISA-N 0 1 380.246 2.142 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000922024891 654356451 /nfs/dbraw/zinc/35/64/51/654356451.db2.gz KJKXFGYXWCRXMZ-UHFFFAOYSA-N 0 1 395.834 2.472 20 30 GEEDMN C=CCS(=O)(=O)CCNCc1ccc(Br)cc1NC(C)=O ZINC000893505175 654404527 /nfs/dbraw/zinc/40/45/27/654404527.db2.gz KLNDKOQAIGQPPE-UHFFFAOYSA-N 0 1 375.288 2.098 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)nc1 ZINC000906887848 654483154 /nfs/dbraw/zinc/48/31/54/654483154.db2.gz VYGNFIRIRGECHI-OAHLLOKOSA-N 0 1 376.507 2.205 20 30 GEEDMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907240080 654522949 /nfs/dbraw/zinc/52/29/49/654522949.db2.gz OVTBQLXPVCBXSS-CYBMUJFWSA-N 0 1 386.315 2.424 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907430059 654542395 /nfs/dbraw/zinc/54/23/95/654542395.db2.gz UJHRQMYYFGAXGB-UHFFFAOYSA-N 0 1 396.310 2.039 20 30 GEEDMN C#CC[N@@H+](C)CCCNC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC000909037251 654650594 /nfs/dbraw/zinc/65/05/94/654650594.db2.gz FQBPCLMSOHINPW-UHFFFAOYSA-N 0 1 396.285 2.000 20 30 GEEDMN C#CCN1CCC(NC(=O)/C=C/c2cc(Br)c(O)c(OC)c2)CC1 ZINC000928657349 654654810 /nfs/dbraw/zinc/65/48/10/654654810.db2.gz YGNWMNPFZXUWNR-SNAWJCMRSA-N 0 1 393.281 2.390 20 30 GEEDMN CN(C)CC#CCNC(=O)Nc1cccc(F)c1I ZINC000930563844 654713846 /nfs/dbraw/zinc/71/38/46/654713846.db2.gz GLVWEUDNWIBPTR-UHFFFAOYSA-N 0 1 375.185 2.117 20 30 GEEDMN CON1CC[C@H](N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932942632 654794952 /nfs/dbraw/zinc/79/49/52/654794952.db2.gz ZWJJQHFGFLURJW-PRJMDXOYSA-N 0 1 382.251 2.252 20 30 GEEDMN Cc1c(C(=O)NCC#CCN(C)C)cnn1-c1cccc(Br)c1 ZINC000913518701 654797071 /nfs/dbraw/zinc/79/70/71/654797071.db2.gz XPXJQGPZSATOEJ-UHFFFAOYSA-N 0 1 375.270 2.238 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC12CCN(CC1)C2 ZINC000913627791 654802094 /nfs/dbraw/zinc/80/20/94/654802094.db2.gz ZHWSTKQBAPXMHZ-UHFFFAOYSA-N 0 1 394.269 2.063 20 30 GEEDMN N#Cc1cc(CS(=O)(=O)NCC2(N3CCSCC3)CCCC2)cs1 ZINC000913917727 654816048 /nfs/dbraw/zinc/81/60/48/654816048.db2.gz LCMJXJPGPJRKOA-UHFFFAOYSA-N 0 1 385.580 2.401 20 30 GEEDMN Cc1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164743039 720623084 /nfs/dbraw/zinc/62/30/84/720623084.db2.gz OKMLXOAGHORTGC-HUUCEWRRSA-N 0 1 384.871 2.355 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4C#N)C3)O2)CC1 ZINC001164890793 721426901 /nfs/dbraw/zinc/42/69/01/721426901.db2.gz FUQXMSUXEQEFEB-ICSRJNTNSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5[nH]c(C#N)cc5n4)C3)O2)CC1 ZINC001164889539 721430970 /nfs/dbraw/zinc/43/09/70/721430970.db2.gz BKKSSIXXJPXVLV-XMSQKQJNSA-N 0 1 394.523 2.200 20 30 GEEDMN COc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1C#N ZINC001164795619 721526734 /nfs/dbraw/zinc/52/67/34/721526734.db2.gz PHPYPZBRTQKYOT-BBTUJRGHSA-N 0 1 379.464 2.225 20 30 GEEDMN Cc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(C=NO)c1 ZINC001164809836 721570513 /nfs/dbraw/zinc/57/05/13/721570513.db2.gz XKNUMNUERABPRZ-UFYCRDLUSA-N 0 1 381.480 2.461 20 30 GEEDMN CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164967309 722070308 /nfs/dbraw/zinc/07/03/08/722070308.db2.gz MWZBNQKANMSDOM-GASCZTMLSA-N 0 1 390.871 2.083 20 30 GEEDMN COc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164977391 722110630 /nfs/dbraw/zinc/11/06/30/722110630.db2.gz MVCRJAKCBCCVLP-PXNSSMCTSA-N 0 1 379.464 2.084 20 30 GEEDMN C=CCOc1cc(C)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979058 722119708 /nfs/dbraw/zinc/11/97/08/722119708.db2.gz OUSUYZROBLHGPB-UXHICEINSA-N 0 1 395.507 2.472 20 30 GEEDMN COc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(F)cc1C#N ZINC001164983346 722137728 /nfs/dbraw/zinc/13/77/28/722137728.db2.gz UMWWNOOTBDLDMA-VQIMIIECSA-N 0 1 397.454 2.223 20 30 GEEDMN C=CCNC(=O)NC(=O)CN(C)CC1(c2ccc(Br)cc2)CC1 ZINC000152615097 531560828 /nfs/dbraw/zinc/56/08/28/531560828.db2.gz SIGYPSUVNMSYPF-UHFFFAOYSA-N 0 1 380.286 2.424 20 30 GEEDMN CN1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cc(Br)cc(C#N)c1)C2 ZINC000155259619 531667499 /nfs/dbraw/zinc/66/74/99/531667499.db2.gz HMHHXMXZWMABMC-UONOGXRCSA-N 0 1 384.299 2.178 20 30 GEEDMN C[C@H](C#N)CNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000178251211 532197189 /nfs/dbraw/zinc/19/71/89/532197189.db2.gz IFLYCHGAQCFXSV-MRVPVSSYSA-N 0 1 381.173 2.022 20 30 GEEDMN Cc1c(NC(=O)C(=O)N2CCN(C)CC[C@H]2C)ccc(Br)c1C#N ZINC000425776168 532395103 /nfs/dbraw/zinc/39/51/03/532395103.db2.gz YKPGCEDZMRNQSN-LLVKDONJSA-N 0 1 393.285 2.120 20 30 GEEDMN C=CCN(C)CC[N@@H+](CC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000560706347 532421346 /nfs/dbraw/zinc/42/13/46/532421346.db2.gz ZOOGMQGUUQDKGA-UHFFFAOYSA-N 0 1 379.302 2.397 20 30 GEEDMN CCCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CCN(C)C1 ZINC000592300520 532446176 /nfs/dbraw/zinc/44/61/76/532446176.db2.gz QQGAVZDJAVSFOT-AWEZNQCLSA-N 0 1 393.285 2.202 20 30 GEEDMN CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295630326 532464824 /nfs/dbraw/zinc/46/48/24/532464824.db2.gz FWJLBMMIVJUNOR-SNVBAGLBSA-N 0 1 390.278 2.032 20 30 GEEDMN CCNc1ccc(C#N)cc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000469074428 532490648 /nfs/dbraw/zinc/49/06/48/532490648.db2.gz VJKUSWIXXMCLEH-UHFFFAOYSA-N 0 1 379.463 2.194 20 30 GEEDMN C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000374588012 532511726 /nfs/dbraw/zinc/51/17/26/532511726.db2.gz UXKNSFYWZORINZ-FRFSOERESA-N 0 1 384.933 2.401 20 30 GEEDMN C=CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cc(Br)ccc1F ZINC000262160334 532587059 /nfs/dbraw/zinc/58/70/59/532587059.db2.gz PUOJIXMILZJRCS-UHFFFAOYSA-N 0 1 384.293 2.398 20 30 GEEDMN COc1ncc(Br)cc1CNC[C@H](O)COc1ccccc1C#N ZINC000600756556 532681003 /nfs/dbraw/zinc/68/10/03/532681003.db2.gz RJADYQZVHBNTHV-HNNXBMFYSA-N 0 1 392.253 2.254 20 30 GEEDMN CN(C)[C@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCSC1 ZINC000410159879 532735617 /nfs/dbraw/zinc/73/56/17/532735617.db2.gz WJVGKDIQGHLVRW-AWEZNQCLSA-N 0 1 393.456 2.293 20 30 GEEDMN O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCCN1C1CC1 ZINC000329354207 532806313 /nfs/dbraw/zinc/80/63/13/532806313.db2.gz YIHLIUUHFHTHCD-UKRRQHHQSA-N 0 1 383.539 2.485 20 30 GEEDMN CCc1nc([C@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000287830847 532811108 /nfs/dbraw/zinc/81/11/08/532811108.db2.gz NQEBAARXEPJNLB-QMMMGPOBSA-N 0 1 384.259 2.041 20 30 GEEDMN COc1cc(Br)cc(NC(=O)N2CCN(CC(C)(C)O)CC2)c1 ZINC000330585466 532821962 /nfs/dbraw/zinc/82/19/62/532821962.db2.gz VZZWUHHTAOCOEI-UHFFFAOYSA-N 0 1 386.290 2.392 20 30 GEEDMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cncc(C#N)c1 ZINC000289635578 532861467 /nfs/dbraw/zinc/86/14/67/532861467.db2.gz CSHJTMPIXGBMMS-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCc2c1cccc2C#N ZINC000420732887 532886182 /nfs/dbraw/zinc/88/61/82/532886182.db2.gz UDZQOJMUSUBSAF-ZDUSSCGKSA-N 0 1 376.356 2.135 20 30 GEEDMN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000369071644 532936832 /nfs/dbraw/zinc/93/68/32/532936832.db2.gz MYGFPKCAWROUAC-YOEHRIQHSA-N 0 1 376.507 2.328 20 30 GEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(Cn2cc(Br)cn2)CC1 ZINC000371726681 532949511 /nfs/dbraw/zinc/94/95/11/532949511.db2.gz IEKVSVUYIRUDBB-CQSZACIVSA-N 0 1 396.333 2.366 20 30 GEEDMN C=CCCCCCN(C)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000735408485 598852391 /nfs/dbraw/zinc/85/23/91/598852391.db2.gz MIASWIBXEYEDPD-UHFFFAOYSA-N 0 1 397.483 2.267 20 30 GEEDMN C=CC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1ccncc1 ZINC000735409667 599107709 /nfs/dbraw/zinc/10/77/09/599107709.db2.gz IAOUVMOKUUPYKM-ZDUSSCGKSA-N 0 1 383.437 2.131 20 30 GEEDMN CCc1nc(C[NH+]2CCC(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC2)cs1 ZINC000820492202 597647411 /nfs/dbraw/zinc/64/74/11/597647411.db2.gz BBNGMXUWGUWAKU-SFHVURJKSA-N 0 1 378.498 2.038 20 30 GEEDMN N#CCOc1ccc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737694114 598539957 /nfs/dbraw/zinc/53/99/57/598539957.db2.gz AZJGHMRUQJLTSM-UHFFFAOYSA-N 0 1 375.436 2.091 20 30 GEEDMN Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[nH]n2)ccc1-n1cncn1 ZINC000822199046 599337070 /nfs/dbraw/zinc/33/70/70/599337070.db2.gz UFUAFFIZKSKYCB-UHFFFAOYSA-N 0 1 392.427 2.487 20 30 GEEDMN N#Cc1ccc(OC[C@H](O)C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000739129312 600145176 /nfs/dbraw/zinc/14/51/76/600145176.db2.gz UEIPTIOMQLOKTD-MRXNPFEDSA-N 0 1 390.823 2.244 20 30 GEEDMN COc1ccccc1C(=O)N1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738114780 600563550 /nfs/dbraw/zinc/56/35/50/600563550.db2.gz FISYQAJCWKBQHW-IBGZPJMESA-N 0 1 379.416 2.151 20 30 GEEDMN CS(=O)(=O)Nc1cccc2c1CC[N@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000738168741 600566690 /nfs/dbraw/zinc/56/66/90/600566690.db2.gz WDJIWXNNGSELQY-GOSISDBHSA-N 0 1 385.445 2.114 20 30 GEEDMN Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2CC(=O)[O-])c1C ZINC000832971357 601026201 /nfs/dbraw/zinc/02/62/01/601026201.db2.gz LPCJUVHCZMRLCC-MRXNPFEDSA-N 0 1 375.494 2.442 20 30 GEEDMN Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2CC(=O)[O-])c1C ZINC000832971357 601026206 /nfs/dbraw/zinc/02/62/06/601026206.db2.gz LPCJUVHCZMRLCC-MRXNPFEDSA-N 0 1 375.494 2.442 20 30 GEEDMN C[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830781265 601320053 /nfs/dbraw/zinc/32/00/53/601320053.db2.gz SNSSKBSXWSKCRJ-OAQYLSRUSA-N 0 1 378.476 2.438 20 30 GEEDMN CC(C)c1nc(CN(C)[C@H]2CC[N@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827152287 601321127 /nfs/dbraw/zinc/32/11/27/601321127.db2.gz GJGMIVMUDHAUJS-FUHWJXTLSA-N 0 1 383.452 2.397 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1C#N ZINC000832849974 601517796 /nfs/dbraw/zinc/51/77/96/601517796.db2.gz VHYBSGFRNIFLLR-PXAZEXFGSA-N 0 1 384.436 2.209 20 30 GEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738611116 602529826 /nfs/dbraw/zinc/52/98/26/602529826.db2.gz BVWWHZJBIXSRJY-LSDHHAIUSA-N 0 1 376.432 2.393 20 30 GEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179135 602761938 /nfs/dbraw/zinc/76/19/38/602761938.db2.gz VGVBOKSMXVSKHK-JKIFEVAISA-N 0 1 376.432 2.439 20 30 GEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179135 602761942 /nfs/dbraw/zinc/76/19/42/602761942.db2.gz VGVBOKSMXVSKHK-JKIFEVAISA-N 0 1 376.432 2.439 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000831141093 603707425 /nfs/dbraw/zinc/70/74/25/603707425.db2.gz CDZVEFJBEWLVCD-SJLPKXTDSA-N 0 1 391.493 2.186 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000831141093 603707427 /nfs/dbraw/zinc/70/74/27/603707427.db2.gz CDZVEFJBEWLVCD-SJLPKXTDSA-N 0 1 391.493 2.186 20 30 GEEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](NC(=O)[O-])C3)sc2C1 ZINC000739112704 604430698 /nfs/dbraw/zinc/43/06/98/604430698.db2.gz GZFZWVYPUPKXJD-NWDGAFQWSA-N 0 1 376.482 2.415 20 30 GEEDMN C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000833628907 604607843 /nfs/dbraw/zinc/60/78/43/604607843.db2.gz CBWHAUQPAGOILJ-HRAATJIYSA-N 0 1 379.460 2.496 20 30 GEEDMN C#CCC[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CC1 ZINC000833362254 605192555 /nfs/dbraw/zinc/19/25/55/605192555.db2.gz HXVJFUWQIMNCJZ-CQSZACIVSA-N 0 1 389.521 2.151 20 30 GEEDMN N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@@H]4CCC[C@@H](NC(=O)[O-])[C@H]4C3)C2=O)cc1 ZINC000833974603 605449958 /nfs/dbraw/zinc/44/99/58/605449958.db2.gz UMVVNIQASBHUAA-KANFNMMFSA-N 0 1 382.464 2.422 20 30 GEEDMN C[C@H](N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(C#N)cc1 ZINC000820420948 606299545 /nfs/dbraw/zinc/29/95/45/606299545.db2.gz YMFLUUHIIZPFIL-XHDPSFHLSA-N 0 1 379.449 2.256 20 30 GEEDMN C[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420126 606309176 /nfs/dbraw/zinc/30/91/76/606309176.db2.gz MMRXAXYMHCEFHD-IAQYHMDHSA-N 0 1 379.449 2.256 20 30 GEEDMN C#CC[N@H+](CC)CCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccco1 ZINC000819701373 606433807 /nfs/dbraw/zinc/43/38/07/606433807.db2.gz DZLDUIJPJOJXBK-UHFFFAOYSA-N 0 1 395.467 2.210 20 30 GEEDMN C#CC[N@@H+](CC)CCC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1Cc1ccco1 ZINC000819701373 606433808 /nfs/dbraw/zinc/43/38/08/606433808.db2.gz DZLDUIJPJOJXBK-UHFFFAOYSA-N 0 1 395.467 2.210 20 30 GEEDMN C=CCCCCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000819739776 606733568 /nfs/dbraw/zinc/73/35/68/606733568.db2.gz HEKWIVREQAXFEB-UHFFFAOYSA-N 0 1 380.430 2.142 20 30 GEEDMN C=CCOc1cccc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000819758717 606762539 /nfs/dbraw/zinc/76/25/39/606762539.db2.gz GBBKXFKLXAGASM-UHFFFAOYSA-N 0 1 375.385 2.371 20 30 GEEDMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12 ZINC000822729016 607146000 /nfs/dbraw/zinc/14/60/00/607146000.db2.gz QQDXTRULSOBJPH-UHFFFAOYSA-N 0 1 379.331 2.129 20 30 GEEDMN Cc1nn(-c2ccncc2)cc1CN=Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826332642 609470049 /nfs/dbraw/zinc/47/00/49/609470049.db2.gz AUJKMWULOOYSOK-UHFFFAOYSA-N 0 1 380.803 2.250 20 30 GEEDMN CCN1CCN([C@@H]2CCN(C(=O)c3cccc(C#N)c3Br)C2)CC1 ZINC000448922430 650025677 /nfs/dbraw/zinc/02/56/77/650025677.db2.gz CHGMNEALYNKKRB-OAHLLOKOSA-N 0 1 391.313 2.173 20 30 GEEDMN C[NH+](C)C1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC000451437649 650113903 /nfs/dbraw/zinc/11/39/03/650113903.db2.gz ONQUYZNBDARBQQ-UHFFFAOYSA-N 0 1 390.278 2.222 20 30 GEEDMN C[C@H]1CN(CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CCCO1 ZINC000451467092 650117965 /nfs/dbraw/zinc/11/79/65/650117965.db2.gz SBABUKYFLFAPJS-AWEZNQCLSA-N 0 1 385.917 2.185 20 30 GEEDMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000452102227 650173749 /nfs/dbraw/zinc/17/37/49/650173749.db2.gz HLRIQPOFYRSWEE-AWEZNQCLSA-N 0 1 386.315 2.424 20 30 GEEDMN CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000452096968 650173105 /nfs/dbraw/zinc/17/31/05/650173105.db2.gz PJNXWCPWPSLKNJ-ZDUSSCGKSA-N 0 1 384.468 2.061 20 30 GEEDMN N#CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000476186777 650545581 /nfs/dbraw/zinc/54/55/81/650545581.db2.gz ACCVAIHYKNSZIL-UHFFFAOYSA-N 0 1 395.849 2.310 20 30 GEEDMN CN1c2ccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)cc2OCC1=O ZINC000524982003 650649401 /nfs/dbraw/zinc/64/94/01/650649401.db2.gz ZCOPKMZMBXDLRB-UHFFFAOYSA-N 0 1 377.809 2.368 20 30 GEEDMN N#C[C@H](C(=O)Cn1cnc2ccc(Br)cc2c1=O)c1ccccn1 ZINC000049457466 642667979 /nfs/dbraw/zinc/66/79/79/642667979.db2.gz QVZXUEQGUXKBQV-ZDUSSCGKSA-N 0 1 383.205 2.430 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cn[nH]c1C ZINC000051382144 642695807 /nfs/dbraw/zinc/69/58/07/642695807.db2.gz WQMZGTIOGCRMJQ-UHFFFAOYSA-N 0 1 393.241 2.446 20 30 GEEDMN N#CC(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)C(=O)NC1CC1 ZINC000117083503 643483303 /nfs/dbraw/zinc/48/33/03/643483303.db2.gz PRQRSXOFUUDHHN-FATZIPQQSA-N 0 1 397.294 2.324 20 30 GEEDMN N#CC(C(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130484753 643840528 /nfs/dbraw/zinc/84/05/28/643840528.db2.gz RIQNQSVSKJKBFC-TVQRCGJNSA-N 0 1 389.260 2.466 20 30 GEEDMN N#CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1 ZINC000499180629 650875606 /nfs/dbraw/zinc/87/56/06/650875606.db2.gz QQOLXCRCBHMGAV-UHFFFAOYSA-N 0 1 379.825 2.071 20 30 GEEDMN CN(CCC#N)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000151280392 643934535 /nfs/dbraw/zinc/93/45/35/643934535.db2.gz ZPPKXJCYBQCGNN-UHFFFAOYSA-N 0 1 381.173 2.118 20 30 GEEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000153297505 643983336 /nfs/dbraw/zinc/98/33/36/643983336.db2.gz MJOCSLDOZMJSFG-UHFFFAOYSA-N 0 1 380.905 2.101 20 30 GEEDMN COC(=O)[C@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000166478981 644276478 /nfs/dbraw/zinc/27/64/78/644276478.db2.gz PTEOEIINIWJQEM-GFCCVEGCSA-N 0 1 377.249 2.431 20 30 GEEDMN C=CC[NH+]1CCC([N-]S(=O)(=O)c2nc(C)c(Br)s2)CC1 ZINC000180066021 644486947 /nfs/dbraw/zinc/48/69/47/644486947.db2.gz COFJYCDLWKOUOH-UHFFFAOYSA-N 0 1 380.333 2.143 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)cc1Br ZINC000278857879 646558068 /nfs/dbraw/zinc/55/80/68/646558068.db2.gz QXBKZSNGYCIIKO-CYBMUJFWSA-N 0 1 381.255 2.400 20 30 GEEDMN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000330384870 647333716 /nfs/dbraw/zinc/33/37/16/647333716.db2.gz KWKRBPQWNHOGBD-VYDXJSESSA-N 0 1 384.571 2.447 20 30 GEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000363496149 647597470 /nfs/dbraw/zinc/59/74/70/647597470.db2.gz NTPMIFWENXOQNP-CYBMUJFWSA-N 0 1 382.306 2.291 20 30 GEEDMN O=C([C@@H]1NC(=O)C[C@@H]1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000365460682 647670360 /nfs/dbraw/zinc/67/03/60/647670360.db2.gz IEONJDIEUAGZIN-CAHLUQPWSA-N 0 1 386.214 2.397 20 30 GEEDMN C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccnc2C#N)[C@H]1c1cccs1 ZINC000366786352 647704212 /nfs/dbraw/zinc/70/42/12/647704212.db2.gz FIUFRWZERBXZCR-GUYCJALGSA-N 0 1 376.507 2.376 20 30 GEEDMN CN1CCC[C@@H](CNS(=O)(=O)c2cccnc2C#N)[C@H]1c1cccs1 ZINC000366786352 647704218 /nfs/dbraw/zinc/70/42/18/647704218.db2.gz FIUFRWZERBXZCR-GUYCJALGSA-N 0 1 376.507 2.376 20 30 GEEDMN N#Cc1cccc(-c2c[nH]c(CNC(=O)CSc3n[nH]c(=S)s3)n2)c1 ZINC000367535543 647736276 /nfs/dbraw/zinc/73/62/76/647736276.db2.gz IXEJDUARPOYYDC-UHFFFAOYSA-N 0 1 388.503 2.497 20 30 GEEDMN N#CCSc1ccccc1NC(=O)CN1CCN([C@@H]2CCSC2)CC1 ZINC000370200728 647781560 /nfs/dbraw/zinc/78/15/60/647781560.db2.gz ZUWPHNJNIZUGAX-OAHLLOKOSA-N 0 1 376.551 2.364 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c1 ZINC000371134214 647786875 /nfs/dbraw/zinc/78/68/75/647786875.db2.gz QJJIJUSVZSQBIT-LLVKDONJSA-N 0 1 396.270 2.007 20 30 GEEDMN CC(C)N1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416466902 648134398 /nfs/dbraw/zinc/13/43/98/648134398.db2.gz SNZNSPPYQZLDMR-AWEZNQCLSA-N 0 1 386.315 2.472 20 30 GEEDMN C=CCCCCNC(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000422458040 648547136 /nfs/dbraw/zinc/54/71/36/648547136.db2.gz QHAMDASTEBBSKM-UHFFFAOYSA-N 0 1 379.258 2.414 20 30 GEEDMN COC(=O)c1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cn1C ZINC000443355862 648873633 /nfs/dbraw/zinc/87/36/33/648873633.db2.gz CFZCLUJMPFPUEI-UHFFFAOYSA-N 0 1 398.238 2.247 20 30 GEEDMN C[C@H]1CCCN(CCNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000550826906 651115420 /nfs/dbraw/zinc/11/54/20/651115420.db2.gz OSKYEIVHIRIGQR-LBPRGKRZSA-N 0 1 386.315 2.331 20 30 GEEDMN C#CCN(CCCC(=O)NC(N)=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195719 651693315 /nfs/dbraw/zinc/69/33/15/651693315.db2.gz USQWOPXNILCEPY-CQSZACIVSA-N 0 1 394.269 2.183 20 30 GEEDMN C#CCN1CCC(C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000735939617 651802849 /nfs/dbraw/zinc/80/28/49/651802849.db2.gz IMEXBKWMUHZDMS-UHFFFAOYSA-N 0 1 379.254 2.276 20 30 GEEDMN N#CCN1CCC(NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000618209303 651996971 /nfs/dbraw/zinc/99/69/71/651996971.db2.gz JRVQNZRIQSEFHE-UHFFFAOYSA-N 0 1 389.253 2.008 20 30 GEEDMN C[S@@](=O)Cc1ccc(CNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000576392607 652113274 /nfs/dbraw/zinc/11/32/74/652113274.db2.gz AZAWFQJLPBMFHT-XMMPIXPASA-N 0 1 376.503 2.000 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Br)NC(=O)CO3)o1 ZINC000576734939 652141358 /nfs/dbraw/zinc/14/13/58/652141358.db2.gz VJKIXOPQYQYVIU-UHFFFAOYSA-N 0 1 398.194 2.045 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000748672547 652211041 /nfs/dbraw/zinc/21/10/41/652211041.db2.gz WLFGSNWYAQFFKZ-UHFFFAOYSA-N 0 1 376.400 2.351 20 30 GEEDMN C=CC(C)(C)CCNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000625328597 652343260 /nfs/dbraw/zinc/34/32/60/652343260.db2.gz XYYPSBZEQCXBJQ-UHFFFAOYSA-N 0 1 390.527 2.337 20 30 GEEDMN N#CCC[C@@H](C#N)CNCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000581982060 652430252 /nfs/dbraw/zinc/43/02/52/652430252.db2.gz DLLNNZFVYOCMPQ-HNNXBMFYSA-N 0 1 380.539 2.498 20 30 GEEDMN N#C[C@@H](C(=O)CCNC(=O)c1cc(F)ccc1Br)c1ccncn1 ZINC000760346158 652604404 /nfs/dbraw/zinc/60/44/04/652604404.db2.gz OYLNCDIVIHTMCL-GFCCVEGCSA-N 0 1 391.200 2.375 20 30 GEEDMN N#C[C@H](C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)c1ccncn1 ZINC000760352812 652604746 /nfs/dbraw/zinc/60/47/46/652604746.db2.gz NLHUXLJGRJQKQD-ZDUSSCGKSA-N 0 1 399.204 2.102 20 30 GEEDMN COC[C@@H](CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)OC ZINC000595411215 652724767 /nfs/dbraw/zinc/72/47/67/652724767.db2.gz ZSARVEZWDGNYNN-IAGOWNOFSA-N 0 1 382.302 2.293 20 30 GEEDMN CN1CCN(S(=O)(=O)c2ccc(N=NCc3cscc3Cl)nc2)CC1 ZINC000771884213 653130947 /nfs/dbraw/zinc/13/09/47/653130947.db2.gz GFOGALAXGIVEHM-UHFFFAOYSA-N 0 1 399.929 2.179 20 30 GEEDMN Cc1[nH]n(-c2cc(C#N)ccc2Br)c(=O)c1[C@@H]1CCS(=O)(=O)C1 ZINC000601945698 653132021 /nfs/dbraw/zinc/13/20/21/653132021.db2.gz AGSMOMZOXXBACZ-BXUZGUMPSA-N 0 1 396.266 2.094 20 30 GEEDMN CCN(CC)S(=O)(=O)c1ccc(NN=Cc2cnc([C@@H](C)O)s2)nc1 ZINC000773016596 653176643 /nfs/dbraw/zinc/17/66/43/653176643.db2.gz BLVLOXRVEJDVOB-LLVKDONJSA-N 0 1 383.499 2.068 20 30 GEEDMN C#C[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)[C@@H]1CCCO1 ZINC000773057966 653177615 /nfs/dbraw/zinc/17/76/15/653177615.db2.gz RZQSYLYIDGVYIN-NEPJUHHUSA-N 0 1 380.210 2.186 20 30 GEEDMN NS(=O)(=O)c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)cc1Br ZINC000807946587 653212455 /nfs/dbraw/zinc/21/24/55/653212455.db2.gz YBUYQAHHTNVMNB-UHFFFAOYSA-N 0 1 394.254 2.419 20 30 GEEDMN C=CCCCS(=O)(=O)N[C@@H](C(=O)OCC)[C@H](O)c1ccc(Cl)cc1 ZINC000859244999 653428465 /nfs/dbraw/zinc/42/84/65/653428465.db2.gz QVYPEKKRSZLDKF-HUUCEWRRSA-N 0 1 375.874 2.191 20 30 GEEDMN C#CCNC(=O)CCN(CC#C)[C@H]1CCOc2ccc(Br)cc21 ZINC000815049102 653648225 /nfs/dbraw/zinc/64/82/25/653648225.db2.gz WYVVBICIVHGTDS-INIZCTEOSA-N 0 1 375.266 2.347 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000841028169 653705300 /nfs/dbraw/zinc/70/53/00/653705300.db2.gz CEPTVFZYSWLFSJ-CPCISQLKSA-N 0 1 388.063 2.445 20 30 GEEDMN C#CCNC(=O)CCNCc1ccc(Cl)cc1I ZINC000819267837 653747575 /nfs/dbraw/zinc/74/75/75/653747575.db2.gz YJTDLUBWZOZRSI-UHFFFAOYSA-N 0 1 376.625 2.174 20 30 GEEDMN Cc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)c(C)n1-c1ccc(Br)cn1 ZINC000843460366 653787600 /nfs/dbraw/zinc/78/76/00/653787600.db2.gz OAKLNYWTPMXBFG-WFASDCNBSA-N 0 1 388.269 2.093 20 30 GEEDMN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000846676032 653906191 /nfs/dbraw/zinc/90/61/91/653906191.db2.gz BIBLWSMDSIGNEO-GXTWGEPZSA-N 0 1 375.885 2.154 20 30 GEEDMN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000846676033 653906292 /nfs/dbraw/zinc/90/62/92/653906292.db2.gz BIBLWSMDSIGNEO-JSGCOSHPSA-N 0 1 375.885 2.154 20 30 GEEDMN O=C(NCCNCc1c(Cl)nc2cc(Cl)ccn21)C1N=CC=CC1=O ZINC000796309510 653995452 /nfs/dbraw/zinc/99/54/52/653995452.db2.gz XHRPQPGVHNWJRF-PEZBUJJGSA-N 0 1 380.235 2.257 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000899107604 654000032 /nfs/dbraw/zinc/00/00/32/654000032.db2.gz QUNFOUUCCAELIS-LBPRGKRZSA-N 0 1 376.214 2.181 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)[C@H]2CCCc3[nH]ncc32)c(=O)c1C#N ZINC000798130426 654051195 /nfs/dbraw/zinc/05/11/95/654051195.db2.gz RCJWQPYDFSKJAI-JTQLQIEISA-N 0 1 390.241 2.013 20 30 GEEDMN N#Cc1ccc(N2CCN(C(=O)c3cccc(Br)c3O)CC2)cn1 ZINC000801286385 654189893 /nfs/dbraw/zinc/18/98/93/654189893.db2.gz ZLZREBPVYBPTLY-UHFFFAOYSA-N 0 1 387.237 2.384 20 30 GEEDMN COC(=O)CCN(CC#N)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000871339795 654227935 /nfs/dbraw/zinc/22/79/35/654227935.db2.gz LILGLGMDQLMRLS-UHFFFAOYSA-N 0 1 391.225 2.368 20 30 GEEDMN C[NH+](C)CCCNC(=S)NN=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872351373 654324997 /nfs/dbraw/zinc/32/49/97/654324997.db2.gz DGKFVACEYZFQAT-UHFFFAOYSA-N 0 1 386.547 2.240 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(Br)sc1Br ZINC000834489741 654329722 /nfs/dbraw/zinc/32/97/22/654329722.db2.gz OVQWDJUFJULCKG-VDTYLAMSSA-N 0 1 379.077 2.114 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(Br)sc1Br ZINC000834489739 654329930 /nfs/dbraw/zinc/32/99/30/654329930.db2.gz OVQWDJUFJULCKG-FSPLSTOPSA-N 0 1 379.077 2.114 20 30 GEEDMN CO[C@@]1(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCS(=O)(=O)C1 ZINC000892538144 654350168 /nfs/dbraw/zinc/35/01/68/654350168.db2.gz ISXKWPGYOPNTOR-BONVTDFDSA-N 0 1 384.866 2.330 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)COc1ccc(C#N)c(Br)c1 ZINC000835139897 654364211 /nfs/dbraw/zinc/36/42/11/654364211.db2.gz MOTJCNJFRKZMEI-CQSZACIVSA-N 0 1 377.238 2.340 20 30 GEEDMN C#CCO[C@H](C)C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000835291666 654377900 /nfs/dbraw/zinc/37/79/00/654377900.db2.gz ZLFRFNGDUDIUSY-LLVKDONJSA-N 0 1 378.226 2.240 20 30 GEEDMN C#CCO[C@H](C)C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000835291666 654377902 /nfs/dbraw/zinc/37/79/02/654377902.db2.gz ZLFRFNGDUDIUSY-LLVKDONJSA-N 0 1 378.226 2.240 20 30 GEEDMN C#CCN1CCC(NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000924009740 654497140 /nfs/dbraw/zinc/49/71/40/654497140.db2.gz YHLJQPLIQWFACC-UHFFFAOYSA-N 0 1 395.257 2.254 20 30 GEEDMN C#CCCN(CC(F)(F)F)C(=O)c1c(C)n[nH]c1I ZINC000907425296 654541761 /nfs/dbraw/zinc/54/17/61/654541761.db2.gz LXQBIQXHRZSURO-UHFFFAOYSA-N 0 1 385.127 2.351 20 30 GEEDMN Cc1c(C)c(NC(=O)N[C@H]2CNC[C@@H]2C#N)ccc1I ZINC000926204419 654563263 /nfs/dbraw/zinc/56/32/63/654563263.db2.gz UXCNMNCBYUDQKO-GWCFXTLKSA-N 0 1 384.221 2.141 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219511 654563614 /nfs/dbraw/zinc/56/36/14/654563614.db2.gz POIOKUYOWSGWMG-RDDDGLTNSA-N 0 1 390.612 2.178 20 30 GEEDMN C=C[C@@H](O)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)cnn1C(C)C ZINC000912966633 654776807 /nfs/dbraw/zinc/77/68/07/654776807.db2.gz CKWYHTZXJZARHW-MRVPVSSYSA-N 0 1 375.269 2.262 20 30 GEEDMN CN(C)C(=O)CN1CCC2(CCCN2c2nc3c(cc2C#N)CCCC3)CC1 ZINC001165010335 721745115 /nfs/dbraw/zinc/74/51/15/721745115.db2.gz LSXULQTXUIXGSR-UHFFFAOYSA-N 0 1 381.524 2.355 20 30 GEEDMN Cc1nc(N2CCCC23CCN(CC(=O)N(C)C)CC3)c(Cl)cc1C#N ZINC001165013265 721749661 /nfs/dbraw/zinc/74/96/61/721749661.db2.gz WEOKOHRFKKTPIE-UHFFFAOYSA-N 0 1 375.904 2.438 20 30 GEEDMN Cc1nc(C#N)cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164965463 722061781 /nfs/dbraw/zinc/06/17/81/722061781.db2.gz KBFZROVODABKNJ-UHFFFAOYSA-N 0 1 378.480 2.171 20 30 GEEDMN Cc1nc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164982591 722120151 /nfs/dbraw/zinc/12/01/51/722120151.db2.gz XHVIMLOTNGGMFG-SJLPKXTDSA-N 0 1 398.898 2.432 20 30 GEEDMN C=CCOC[C@H]1CCC[C@]12CN(c1cccc(N3CCN(C)CC3)n1)CCO2 ZINC001164974617 722168738 /nfs/dbraw/zinc/16/87/38/722168738.db2.gz GKYKACFOLHHINW-KNQAVFIVSA-N 0 1 386.540 2.412 20 30 GEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000054211499 531776203 /nfs/dbraw/zinc/77/62/03/531776203.db2.gz QJZDIKWWSGMDMJ-STQMWFEESA-N 0 1 395.301 2.185 20 30 GEEDMN CN(CCC#N)S(=O)(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000078611194 531919690 /nfs/dbraw/zinc/91/96/90/531919690.db2.gz CAOBXDAGHZPOCL-UHFFFAOYSA-N 0 1 384.933 2.232 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)c1nnc[nH]1 ZINC000176752983 532148423 /nfs/dbraw/zinc/14/84/23/532148423.db2.gz ZLCQNIGYCDRTPS-SECBINFHSA-N 0 1 394.229 2.094 20 30 GEEDMN C#CCOc1ccc([C@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181640838 532303931 /nfs/dbraw/zinc/30/39/31/532303931.db2.gz ZAADNBOWWFFORI-HOCLYGCPSA-N 0 1 379.503 2.246 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2NCCC(N)=O)c(Cl)c1 ZINC000183069304 532321214 /nfs/dbraw/zinc/32/12/14/532321214.db2.gz AGTIDZGSAYNHQC-UHFFFAOYSA-N 0 1 378.841 2.300 20 30 GEEDMN C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CC1 ZINC000185010001 532336614 /nfs/dbraw/zinc/33/66/14/532336614.db2.gz JIQQITWKPPNOPY-UHFFFAOYSA-N 0 1 376.837 2.106 20 30 GEEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000516796245 532391214 /nfs/dbraw/zinc/39/12/14/532391214.db2.gz QSOCITWJMCSCLP-LBPRGKRZSA-N 0 1 378.431 2.213 20 30 GEEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000516796245 532391220 /nfs/dbraw/zinc/39/12/20/532391220.db2.gz QSOCITWJMCSCLP-LBPRGKRZSA-N 0 1 378.431 2.213 20 30 GEEDMN CC(C)(C#N)CCS(=O)(=O)Nc1cc(C(N)=O)ccc1OCC(F)F ZINC000593216369 532475879 /nfs/dbraw/zinc/47/58/79/532475879.db2.gz WYYHAXMWHBNHAB-UHFFFAOYSA-N 0 1 375.397 2.111 20 30 GEEDMN C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000594476620 532509111 /nfs/dbraw/zinc/50/91/11/532509111.db2.gz VFOALMKHJQJMFU-JGZJWPJOSA-N 0 1 390.278 2.078 20 30 GEEDMN CC(C)(C#N)c1ccc(CNC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000594504809 532511900 /nfs/dbraw/zinc/51/19/00/532511900.db2.gz LCTBKEZGXQKOOY-MRXNPFEDSA-N 0 1 378.519 2.474 20 30 GEEDMN Cc1nc2ccc(NS(=O)(=O)c3cc(Br)cc(C#N)c3)cn2n1 ZINC000430368930 532498404 /nfs/dbraw/zinc/49/84/04/532498404.db2.gz ZUTQVAWUBANRAY-UHFFFAOYSA-N 0 1 392.238 2.473 20 30 GEEDMN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000374399375 532501366 /nfs/dbraw/zinc/50/13/66/532501366.db2.gz BHRZJRWLPJADQM-CVEARBPZSA-N 0 1 384.571 2.276 20 30 GEEDMN C=CCNC(=O)NC(=O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433310743 532563251 /nfs/dbraw/zinc/56/32/51/532563251.db2.gz DNWYOVAQWDOJDF-AWEZNQCLSA-N 0 1 380.286 2.325 20 30 GEEDMN C[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432872079 532546681 /nfs/dbraw/zinc/54/66/81/532546681.db2.gz KQDUFNRHYJQHAZ-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN N#Cc1ccc(CN2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000266974976 532730761 /nfs/dbraw/zinc/73/07/61/532730761.db2.gz VMJXJYGDJGFNGK-UHFFFAOYSA-N 0 1 391.547 2.135 20 30 GEEDMN C[C@@](C#N)(NC(=O)CN[C@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000286594638 532757306 /nfs/dbraw/zinc/75/73/06/532757306.db2.gz QUOXXEQALJGACP-DLBZAZTESA-N 0 1 380.286 2.055 20 30 GEEDMN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000542046633 532763825 /nfs/dbraw/zinc/76/38/25/532763825.db2.gz IYVAKCKSYMKSAU-SHACYNPGSA-N 0 1 376.503 2.420 20 30 GEEDMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000287060852 532781967 /nfs/dbraw/zinc/78/19/67/532781967.db2.gz ASAFGTAJSIQLQW-VXGBXAGGSA-N 0 1 381.274 2.240 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1N(C)C ZINC000330374271 532817397 /nfs/dbraw/zinc/81/73/97/532817397.db2.gz MNVUJJKNMAEEFL-UONOGXRCSA-N 0 1 393.456 2.243 20 30 GEEDMN COc1ccc(Cl)cc1-c1n[nH]c(SC[C@H](O)CN(C)CCC#N)n1 ZINC000414103530 532819060 /nfs/dbraw/zinc/81/90/60/532819060.db2.gz XBQSLWGARLAUBW-GFCCVEGCSA-N 0 1 381.889 2.432 20 30 GEEDMN Cc1nsc(N2CCN(C(=O)c3sccc3CN(C)C)CC2)c1C#N ZINC000291794809 532908608 /nfs/dbraw/zinc/90/86/08/532908608.db2.gz BEHDDCMZXLIBHD-UHFFFAOYSA-N 0 1 375.523 2.409 20 30 GEEDMN CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@H]21 ZINC000371505563 532948359 /nfs/dbraw/zinc/94/83/59/532948359.db2.gz KBQPDVOMOXGLIO-IUODEOHRSA-N 0 1 384.299 2.035 20 30 GEEDMN COc1cc(CN=Nc2oc(C)nc2-c2nn[nH]n2)c(SC)cc1OC ZINC000737042485 599033539 /nfs/dbraw/zinc/03/35/39/599033539.db2.gz AJCFOLNHCQMKAY-UHFFFAOYSA-N 0 1 375.414 2.348 20 30 GEEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC/C=C\c1ccc(Br)cc1 ZINC000737705399 599220520 /nfs/dbraw/zinc/22/05/20/599220520.db2.gz OQOGJHXUSGCPBQ-IWQZZHSRSA-N 0 1 385.229 2.383 20 30 GEEDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000737471452 599838784 /nfs/dbraw/zinc/83/87/84/599838784.db2.gz ZBGWWPFKJMNDON-UHFFFAOYSA-N 0 1 392.415 2.110 20 30 GEEDMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000737471452 599838787 /nfs/dbraw/zinc/83/87/87/599838787.db2.gz ZBGWWPFKJMNDON-UHFFFAOYSA-N 0 1 392.415 2.110 20 30 GEEDMN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 ZINC000739104895 600565433 /nfs/dbraw/zinc/56/54/33/600565433.db2.gz IANDMZQDYHUWRC-HXUWFJFHSA-N 0 1 397.406 2.046 20 30 GEEDMN C[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737441374 600572366 /nfs/dbraw/zinc/57/23/66/600572366.db2.gz NJVRJXGAJHIGFJ-NRFANRHFSA-N 0 1 378.476 2.438 20 30 GEEDMN CSc1[nH]c(=O)c(C(=O)N[C@H](CCC#N)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826229430 607464518 /nfs/dbraw/zinc/46/45/18/607464518.db2.gz DKKDOFUXIMRBMG-CQSZACIVSA-N 0 1 395.448 2.464 20 30 GEEDMN N#Cc1ccc(NC(=O)CC[N@H+](CCC(=O)[O-])C2CCOCC2)cc1Cl ZINC000833073782 601049483 /nfs/dbraw/zinc/04/94/83/601049483.db2.gz ZCXLBUIPMVGSHL-UHFFFAOYSA-N 0 1 379.844 2.496 20 30 GEEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000833074244 601313036 /nfs/dbraw/zinc/31/30/36/601313036.db2.gz SMOGPMJDDATJPC-IBGZPJMESA-N 0 1 399.472 2.081 20 30 GEEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000833074244 601313038 /nfs/dbraw/zinc/31/30/38/601313038.db2.gz SMOGPMJDDATJPC-IBGZPJMESA-N 0 1 399.472 2.081 20 30 GEEDMN N#CCOc1ccccc1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833067932 601740971 /nfs/dbraw/zinc/74/09/71/601740971.db2.gz KIVFYSVHEDEZBY-QFIPXVFZSA-N 0 1 393.443 2.438 20 30 GEEDMN C=CCc1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000823936990 607575897 /nfs/dbraw/zinc/57/58/97/607575897.db2.gz CSIZQYHRFQHTOI-UHFFFAOYSA-N 0 1 387.377 2.271 20 30 GEEDMN N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000740312219 603234498 /nfs/dbraw/zinc/23/44/98/603234498.db2.gz DADBDWSLBOXMKD-RTBURBONSA-N 0 1 384.480 2.419 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000740312219 603234502 /nfs/dbraw/zinc/23/45/02/603234502.db2.gz DADBDWSLBOXMKD-RTBURBONSA-N 0 1 384.480 2.419 20 30 GEEDMN CN(C[C@@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(=O)[O-] ZINC000828222681 603580449 /nfs/dbraw/zinc/58/04/49/603580449.db2.gz CXUZYODDEWBQAN-LSDHHAIUSA-N 0 1 379.420 2.298 20 30 GEEDMN C#CCC[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CC1 ZINC000833362253 605192143 /nfs/dbraw/zinc/19/21/43/605192143.db2.gz HXVJFUWQIMNCJZ-AWEZNQCLSA-N 0 1 389.521 2.151 20 30 GEEDMN N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833973526 605515111 /nfs/dbraw/zinc/51/51/11/605515111.db2.gz ARPIDELAHFXUOB-KBXCAEBGSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833973526 605515114 /nfs/dbraw/zinc/51/51/14/605515114.db2.gz ARPIDELAHFXUOB-KBXCAEBGSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833972960 605521472 /nfs/dbraw/zinc/52/14/72/605521472.db2.gz FLSZXNZWISVONH-QAPCUYQASA-N 0 1 388.443 2.168 20 30 GEEDMN C=C(C)COc1cc(C[N@@H+]2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])ccc1OC ZINC000833369271 605727619 /nfs/dbraw/zinc/72/76/19/605727619.db2.gz NWWGHLJUZQYQQK-HOTGVXAUSA-N 0 1 377.437 2.488 20 30 GEEDMN C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420125 606309300 /nfs/dbraw/zinc/30/93/00/606309300.db2.gz MMRXAXYMHCEFHD-ABAIWWIYSA-N 0 1 379.449 2.256 20 30 GEEDMN C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821585943 606537970 /nfs/dbraw/zinc/53/79/70/606537970.db2.gz BZJXDZLFFBXHSM-UHFFFAOYSA-N 0 1 381.465 2.004 20 30 GEEDMN CC[C@@H](C#N)OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000820842061 606613689 /nfs/dbraw/zinc/61/36/89/606613689.db2.gz IWXCGAUAGJTLCC-LBPRGKRZSA-N 0 1 397.395 2.176 20 30 GEEDMN C=CCC(CC=C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000819733856 606922966 /nfs/dbraw/zinc/92/29/66/606922966.db2.gz CYBZKTDQCAPLPG-UHFFFAOYSA-N 0 1 383.456 2.149 20 30 GEEDMN C=C(C)[C@H](CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)OCC ZINC000823872986 607880793 /nfs/dbraw/zinc/88/07/93/607880793.db2.gz GGYJXRJLGFKDOV-IBGZPJMESA-N 0 1 398.511 2.272 20 30 GEEDMN COc1ccc(CON=Cc2ccc(N3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000826206897 607971966 /nfs/dbraw/zinc/97/19/66/607971966.db2.gz PZXDUSLNLUXFAC-UHFFFAOYSA-N 0 1 394.435 2.263 20 30 GEEDMN C[C@H](C#N)Oc1ccc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000824034404 608514800 /nfs/dbraw/zinc/51/48/00/608514800.db2.gz JGALFNRODQPPMS-MRXNPFEDSA-N 0 1 389.463 2.480 20 30 GEEDMN N#Cc1ccc(N2CCC[C@@H](NCc3cc(-c4nn[nH]n4)cs3)C2=O)cc1 ZINC000826385262 609600287 /nfs/dbraw/zinc/60/02/87/609600287.db2.gz DNOXIHGFWUNBLS-MRXNPFEDSA-N 0 1 379.449 2.085 20 30 GEEDMN CC[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1C[C@H](C)O ZINC000450028638 650058728 /nfs/dbraw/zinc/05/87/28/650058728.db2.gz RSQCYJMZVICDDU-JSGCOSHPSA-N 0 1 380.286 2.238 20 30 GEEDMN Cc1cc(C[C@H](C)NC(=O)COc2cccc(Br)c2C#N)n[nH]1 ZINC000450159451 650061510 /nfs/dbraw/zinc/06/15/10/650061510.db2.gz STQDRKHMILKHAD-JTQLQIEISA-N 0 1 377.242 2.479 20 30 GEEDMN CC[NH+](CC)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000450960583 650076434 /nfs/dbraw/zinc/07/64/34/650076434.db2.gz RUBTVYZCBSUXCN-UHFFFAOYSA-N 0 1 378.267 2.080 20 30 GEEDMN CC(C)[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCN1C ZINC000451160909 650091731 /nfs/dbraw/zinc/09/17/31/650091731.db2.gz GPTRGKKJOQDDJX-MRXNPFEDSA-N 0 1 380.286 2.498 20 30 GEEDMN CC1(C)CCCN1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000452092499 650172480 /nfs/dbraw/zinc/17/24/80/650172480.db2.gz UUFULCTUHUWIKU-UHFFFAOYSA-N 0 1 386.315 2.473 20 30 GEEDMN CN(C)[C@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)c1cccs1 ZINC000453573172 650209302 /nfs/dbraw/zinc/20/93/02/650209302.db2.gz IBDRULSGSKHGHS-CYBMUJFWSA-N 0 1 377.857 2.026 20 30 GEEDMN C=CCC[C@@H](CO)NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000456763866 650361815 /nfs/dbraw/zinc/36/18/15/650361815.db2.gz DNPULFIGMVVOHZ-JTQLQIEISA-N 0 1 385.205 2.224 20 30 GEEDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C#N)c(Br)c2)cn1C ZINC000508086409 650474048 /nfs/dbraw/zinc/47/40/48/650474048.db2.gz CYUUBLUYMYYIRZ-UHFFFAOYSA-N 0 1 398.238 2.247 20 30 GEEDMN N#C[C@@H](C(=O)CN1C(=O)COc2cc(Br)ccc21)c1ccccn1 ZINC000049458709 642668596 /nfs/dbraw/zinc/66/85/96/642668596.db2.gz JQKZYMUIKVMBQG-GFCCVEGCSA-N 0 1 386.205 2.446 20 30 GEEDMN C=CCCC[C@H](C)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000537181671 650810880 /nfs/dbraw/zinc/81/08/80/650810880.db2.gz IWONVNLKYOSCKD-ZDUSSCGKSA-N 0 1 390.527 2.480 20 30 GEEDMN C=CCNC(=O)CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916697 643118462 /nfs/dbraw/zinc/11/84/62/643118462.db2.gz SKMMTUVLSZOBFM-UHFFFAOYSA-N 0 1 380.286 2.402 20 30 GEEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)Cn1cc(Br)ccc1=O ZINC000122099045 643650421 /nfs/dbraw/zinc/65/04/21/643650421.db2.gz UROYRTUQHRXSFQ-LBPRGKRZSA-N 0 1 385.221 2.374 20 30 GEEDMN CCn1c(SCC(=O)C(C#N)C(=O)NC2CC2)nnc1-c1cccs1 ZINC000129396481 643822384 /nfs/dbraw/zinc/82/23/84/643822384.db2.gz YLILMPOTPIHFRA-NSHDSACASA-N 0 1 375.479 2.106 20 30 GEEDMN N#CC(C(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130484993 643840428 /nfs/dbraw/zinc/84/04/28/643840428.db2.gz RIQNQSVSKJKBFC-RNCFNFMXSA-N 0 1 389.260 2.466 20 30 GEEDMN N#Cc1csc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC000267880245 645930538 /nfs/dbraw/zinc/93/05/38/645930538.db2.gz WKTHNRUYPOJOSI-UHFFFAOYSA-N 0 1 377.447 2.362 20 30 GEEDMN COc1ccc(S(=O)(=O)N2CCCN(CCCSCC#N)CC2)cc1 ZINC000268913882 646005231 /nfs/dbraw/zinc/00/52/31/646005231.db2.gz RUKNBRHYEJHSPI-UHFFFAOYSA-N 0 1 383.539 2.038 20 30 GEEDMN Cn1cc([C@@H]2CN(Cc3cc(C#N)ccc3Br)C[C@H]2CO)cn1 ZINC000277723497 646466920 /nfs/dbraw/zinc/46/69/20/646466920.db2.gz JIMHVVHZLPJXAS-HOTGVXAUSA-N 0 1 375.270 2.262 20 30 GEEDMN C[C@@H](O)CN1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000281728863 646793257 /nfs/dbraw/zinc/79/32/57/646793257.db2.gz WBAAJEZOSVDAQU-GFCCVEGCSA-N 0 1 375.270 2.372 20 30 GEEDMN COc1ccc(NC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c(Br)c1 ZINC000330538102 647343352 /nfs/dbraw/zinc/34/33/52/647343352.db2.gz KXUVGXXUOUKNHB-NEPJUHHUSA-N 0 1 386.290 2.390 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000330571727 647346003 /nfs/dbraw/zinc/34/60/03/647346003.db2.gz FSPVOLINWMWYCU-KGLIPLIRSA-N 0 1 393.456 2.243 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1N(C)C ZINC000330578695 647346205 /nfs/dbraw/zinc/34/62/05/647346205.db2.gz JNOBEMMJEZZOCG-STQMWFEESA-N 0 1 393.456 2.243 20 30 GEEDMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)CCN1C ZINC000416410905 648116180 /nfs/dbraw/zinc/11/61/80/648116180.db2.gz YHKYRANFSVVAOZ-RISCZKNCSA-N 0 1 386.315 2.424 20 30 GEEDMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416429534 648125457 /nfs/dbraw/zinc/12/54/57/648125457.db2.gz ZCUHSQHOJULSKG-QMTHXVAHSA-N 0 1 384.299 2.082 20 30 GEEDMN C[NH+](C)CC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000416510522 648154538 /nfs/dbraw/zinc/15/45/38/648154538.db2.gz IOCGKMANLSMCQD-UHFFFAOYSA-N 0 1 378.267 2.078 20 30 GEEDMN CC(C)(C)c1nc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)n[nH]1 ZINC000416546640 648167483 /nfs/dbraw/zinc/16/74/83/648167483.db2.gz TXERXLIZVPVKMF-UHFFFAOYSA-N 0 1 398.286 2.215 20 30 GEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000416965656 648219661 /nfs/dbraw/zinc/21/96/61/648219661.db2.gz UZVBZGCENHACTI-MRVPVSSYSA-N 0 1 379.207 2.419 20 30 GEEDMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CN1C1CC1 ZINC000419677345 648363167 /nfs/dbraw/zinc/36/31/67/648363167.db2.gz NZCOQVAWEPWPJG-JQWIXIFHSA-N 0 1 391.269 2.001 20 30 GEEDMN CC(=O)c1cc(Br)ccc1OCC(=O)NC1(C#N)CCN(C)CC1 ZINC000551989274 651136765 /nfs/dbraw/zinc/13/67/65/651136765.db2.gz HOHJITZRQKFDOB-UHFFFAOYSA-N 0 1 394.269 2.135 20 30 GEEDMN COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000609352608 651617472 /nfs/dbraw/zinc/61/74/72/651617472.db2.gz HPNRBKBNKRNIHN-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000610657978 651676295 /nfs/dbraw/zinc/67/62/95/651676295.db2.gz XRALDVHKXNDHEX-AWEZNQCLSA-N 0 1 386.315 2.473 20 30 GEEDMN CC(C)(C#N)CNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000611696750 651733081 /nfs/dbraw/zinc/73/30/81/651733081.db2.gz IMZKUBHMCRKVKE-UHFFFAOYSA-N 0 1 395.200 2.412 20 30 GEEDMN N#C[C@@]1(F)CCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000615591922 651868640 /nfs/dbraw/zinc/86/86/40/651868640.db2.gz KUKIDPIDTXKRLY-HNNXBMFYSA-N 0 1 393.220 2.381 20 30 GEEDMN N#C[C@@]1(F)CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000615591922 651868643 /nfs/dbraw/zinc/86/86/43/651868643.db2.gz KUKIDPIDTXKRLY-HNNXBMFYSA-N 0 1 393.220 2.381 20 30 GEEDMN N#CCC[C@H](C#N)CNC[C@H](O)COc1ccc(I)cc1 ZINC000575123533 652063349 /nfs/dbraw/zinc/06/33/49/652063349.db2.gz LSKDMHYKNXDVLO-OCCSQVGLSA-N 0 1 399.232 2.064 20 30 GEEDMN N#CC(C(=O)CCn1cc(Br)cn1)c1nnc2n1CCCCC2 ZINC000746416739 652104781 /nfs/dbraw/zinc/10/47/81/652104781.db2.gz RRPCBIIERFWDQL-GFCCVEGCSA-N 0 1 377.246 2.230 20 30 GEEDMN CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCNCC(C)(C)CC#N ZINC000577483623 652191647 /nfs/dbraw/zinc/19/16/47/652191647.db2.gz CFJAZDNOQDINBE-UHFFFAOYSA-N 0 1 386.539 2.173 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000748671292 652210804 /nfs/dbraw/zinc/21/08/04/652210804.db2.gz JCSOOFPYDKWKCG-UHFFFAOYSA-N 0 1 389.290 2.354 20 30 GEEDMN C[C@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)N1CCCC1 ZINC000577824269 652218522 /nfs/dbraw/zinc/21/85/22/652218522.db2.gz RQDDTGKGYWSFHX-SNVBAGLBSA-N 0 1 390.278 2.222 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCCc1c[nH]nn1 ZINC000750722046 652307114 /nfs/dbraw/zinc/30/71/14/652307114.db2.gz NHNWKXYAIXIQRJ-UHFFFAOYSA-N 0 1 395.213 2.002 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCCc1cnn[nH]1 ZINC000750722046 652307121 /nfs/dbraw/zinc/30/71/21/652307121.db2.gz NHNWKXYAIXIQRJ-UHFFFAOYSA-N 0 1 395.213 2.002 20 30 GEEDMN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2cc(C#N)ccc2O)c1 ZINC000751217631 652331607 /nfs/dbraw/zinc/33/16/07/652331607.db2.gz VTCFPPXLEWSHPO-UHFFFAOYSA-N 0 1 380.447 2.085 20 30 GEEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000625700885 652368106 /nfs/dbraw/zinc/36/81/06/652368106.db2.gz MZMRAUGBUAEOFI-CYBMUJFWSA-N 0 1 385.917 2.427 20 30 GEEDMN C[S@](=O)Cc1ccc(CNCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000582541854 652454638 /nfs/dbraw/zinc/45/46/38/652454638.db2.gz OSEIDJJXLFQTIH-DEOSSOPVSA-N 0 1 376.503 2.000 20 30 GEEDMN N#CCCn1ccc(NC(=O)c2cccc(I)c2O)n1 ZINC000755360772 652463735 /nfs/dbraw/zinc/46/37/35/652463735.db2.gz GVONHVFRGGNLLY-UHFFFAOYSA-N 0 1 382.161 2.359 20 30 GEEDMN Cc1nn(C)cc1C=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000755758813 652475764 /nfs/dbraw/zinc/47/57/64/652475764.db2.gz BDMJXGBGDRPLBV-UHFFFAOYSA-N 0 1 376.467 2.432 20 30 GEEDMN N#CC[C@@]1(O)CCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592150961 652589408 /nfs/dbraw/zinc/58/94/08/652589408.db2.gz KYOKEWJFJIXWNB-SWLSCSKDSA-N 0 1 389.677 2.193 20 30 GEEDMN N#C[C@@H](C(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccncn1 ZINC000760342500 652604625 /nfs/dbraw/zinc/60/46/25/652604625.db2.gz YJORKCSZQDENHD-CYBMUJFWSA-N 0 1 398.220 2.216 20 30 GEEDMN C[C@@H]1CN(CCCNC(=O)Cc2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000593395500 652619718 /nfs/dbraw/zinc/61/97/18/652619718.db2.gz XNPOTDVJBVSXNY-OKILXGFUSA-N 0 1 394.313 2.479 20 30 GEEDMN Oc1cc(Br)c(O)c(CN=Nc2ccc(-n3ccnc3)nn2)c1 ZINC000761858769 652659330 /nfs/dbraw/zinc/65/93/30/652659330.db2.gz ZCQUSFWHWNWRPT-UHFFFAOYSA-N 0 1 375.186 2.282 20 30 GEEDMN COc1ccc(CN=Nc2ccccc2S(=O)(=O)N2CCOCC2)s1 ZINC000763179109 652743810 /nfs/dbraw/zinc/74/38/10/652743810.db2.gz MJKFVUBGSPLVIO-UHFFFAOYSA-N 0 1 381.479 2.224 20 30 GEEDMN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCc3nc[nH]c3C2)C1 ZINC000599951628 652894278 /nfs/dbraw/zinc/89/42/78/652894278.db2.gz GJEVHRWRMFCZGG-UHFFFAOYSA-N 0 1 386.253 2.065 20 30 GEEDMN COc1cccc(NC(=O)C(C#N)C(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000767433564 652925210 /nfs/dbraw/zinc/92/52/10/652925210.db2.gz TZXLYJCKMNBSMF-CYBMUJFWSA-N 0 1 378.431 2.121 20 30 GEEDMN C#CCN1CCC(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000772115911 653139981 /nfs/dbraw/zinc/13/99/81/653139981.db2.gz JZTCNDVFKAEHGR-UHFFFAOYSA-N 0 1 394.225 2.481 20 30 GEEDMN N#Cc1ccc(Cl)c(S(=O)(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000772688429 653160062 /nfs/dbraw/zinc/16/00/62/653160062.db2.gz VRSPPFFUYMPARQ-OAHLLOKOSA-N 0 1 383.901 2.133 20 30 GEEDMN C=C(C)CN1CCC(NC(=O)Nc2cn(C)cc(Br)c2=O)CC1 ZINC000680847476 653171597 /nfs/dbraw/zinc/17/15/97/653171597.db2.gz YJGSUGKHMOLYOX-UHFFFAOYSA-N 0 1 383.290 2.310 20 30 GEEDMN COc1ccc(N=NCc2ccc(S(N)(=O)=O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000807977988 653213906 /nfs/dbraw/zinc/21/39/06/653213906.db2.gz GDNVZAWJCXDYKI-UHFFFAOYSA-N 0 1 384.801 2.350 20 30 GEEDMN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000876664578 653441821 /nfs/dbraw/zinc/44/18/21/653441821.db2.gz WPZSOLJDRPTUQU-NSHDSACASA-N 0 1 381.281 2.172 20 30 GEEDMN C#CCNC(=O)C1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000778632493 653451365 /nfs/dbraw/zinc/45/13/65/653451365.db2.gz QZELMIXGYSKYJT-UHFFFAOYSA-N 0 1 376.869 2.393 20 30 GEEDMN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H]2C[C@@]2(C)Br)cc1 ZINC000860477642 653627881 /nfs/dbraw/zinc/62/78/81/653627881.db2.gz SMPJDEBXUNDRMM-JKIFEVAISA-N 0 1 379.254 2.236 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000840952163 653703486 /nfs/dbraw/zinc/70/34/86/653703486.db2.gz TVOIOYJFQMIHDP-UHFFFAOYSA-N 0 1 396.310 2.087 20 30 GEEDMN CN1CCN(c2ccc(CNc3ncc(C#N)cc3Br)cn2)CC1 ZINC000881786453 653739374 /nfs/dbraw/zinc/73/93/74/653739374.db2.gz VVPDBFYRMSJGBA-UHFFFAOYSA-N 0 1 387.285 2.475 20 30 GEEDMN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(Br)[nH]n2)CC1 ZINC000819990902 653764322 /nfs/dbraw/zinc/76/43/22/653764322.db2.gz MOXTYNZBKOSJFU-CQSZACIVSA-N 0 1 392.232 2.334 20 30 GEEDMN C[C@H](NCc1nn(C)cc1I)c1cccc(C#N)c1O ZINC000866373311 653791648 /nfs/dbraw/zinc/79/16/48/653791648.db2.gz ZWDFUPXNDBNPJE-VIFPVBQESA-N 0 1 382.205 2.453 20 30 GEEDMN C[C@@H](NCc1nn(C)cc1I)c1cccc(C#N)c1O ZINC000866373310 653791776 /nfs/dbraw/zinc/79/17/76/653791776.db2.gz ZWDFUPXNDBNPJE-SECBINFHSA-N 0 1 382.205 2.453 20 30 GEEDMN C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ncc[nH]1 ZINC000866782761 653825070 /nfs/dbraw/zinc/82/50/70/653825070.db2.gz YARHPNSZDIBUFK-ZDUSSCGKSA-N 0 1 396.266 2.320 20 30 GEEDMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H](O)C(F)(F)C(F)(F)F ZINC000883366278 653837325 /nfs/dbraw/zinc/83/73/25/653837325.db2.gz QCLAKLDWTHMYHU-QMMMGPOBSA-N 0 1 385.255 2.318 20 30 GEEDMN N#CC1(C[C@@H](O)CN2CCN(c3ccc(Br)cn3)CC2)CCC1 ZINC000885942612 653964384 /nfs/dbraw/zinc/96/43/84/653964384.db2.gz QBPQJKDPTIXGFF-OAHLLOKOSA-N 0 1 379.302 2.411 20 30 GEEDMN C#CCN1CCC[C@H](N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000886662706 653994277 /nfs/dbraw/zinc/99/42/77/653994277.db2.gz KGVQRULRMWPJJI-GOEBONIOSA-N 0 1 397.338 2.355 20 30 GEEDMN CS(=O)(=O)Nc1ccc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)cn1 ZINC000899093091 653998939 /nfs/dbraw/zinc/99/89/39/653998939.db2.gz OCGQXBXGPJZNPZ-UHFFFAOYSA-N 0 1 397.272 2.016 20 30 GEEDMN C#CCN(C(=O)C1=NC(=O)N(C)C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000827608645 653999671 /nfs/dbraw/zinc/99/96/71/653999671.db2.gz TZPJAJRNPSVETF-AWEZNQCLSA-N 0 1 390.237 2.487 20 30 GEEDMN CC(=O)c1cc(Br)ccc1OCC(=O)C(C#N)C(=O)NC1CC1 ZINC000796793963 654008368 /nfs/dbraw/zinc/00/83/68/654008368.db2.gz RKHHDINNZMKWFM-CYBMUJFWSA-N 0 1 379.210 2.018 20 30 GEEDMN C#CCN1CCC(NC(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000830163480 654102836 /nfs/dbraw/zinc/10/28/36/654102836.db2.gz YTKRLKLDALSTKR-QGZVFWFLSA-N 0 1 383.261 2.010 20 30 GEEDMN N#Cc1ccc(N2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000870096571 654144417 /nfs/dbraw/zinc/14/44/17/654144417.db2.gz QPJIETWOLLFWIM-UHFFFAOYSA-N 0 1 377.520 2.139 20 30 GEEDMN N#Cc1ccc(NCCNC(=O)c2cc(Br)cc3nc[nH]c32)nc1 ZINC000800413035 654144776 /nfs/dbraw/zinc/14/47/76/654144776.db2.gz VLMWUVLUXQEXOK-UHFFFAOYSA-N 0 1 385.225 2.434 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(N2CCC2)CC1 ZINC000903204141 654226204 /nfs/dbraw/zinc/22/62/04/654226204.db2.gz KGJAMMLVTVINFS-UHFFFAOYSA-N 0 1 384.299 2.180 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(N3CCC3)CC2)c1 ZINC000903204730 654226631 /nfs/dbraw/zinc/22/66/31/654226631.db2.gz VMWKISAXZUEVOX-UHFFFAOYSA-N 0 1 384.299 2.180 20 30 GEEDMN O=S(=O)(c1ccc(N=NCc2cnc(Cl)c(F)c2)nc1)N1CCCC1 ZINC000872342419 654324319 /nfs/dbraw/zinc/32/43/19/654324319.db2.gz NZASZWFDRYHHEK-UHFFFAOYSA-N 0 1 383.836 2.500 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)CCCCc1ccc(I)cc1 ZINC000834495739 654330386 /nfs/dbraw/zinc/33/03/86/654330386.db2.gz YSOQMGVRNVIISL-UKRRQHHQSA-N 0 1 397.260 2.232 20 30 GEEDMN CCCOc1c(Br)cc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1OC ZINC000834506748 654330861 /nfs/dbraw/zinc/33/08/61/654330861.db2.gz VOHRZIQWRROUFX-AAEUAGOBSA-N 0 1 382.258 2.088 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000922023313 654356117 /nfs/dbraw/zinc/35/61/17/654356117.db2.gz GBFCEQBPBYCKDQ-UHFFFAOYSA-N 0 1 382.354 2.100 20 30 GEEDMN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C=N[N-]c1[nH+]ccn1C ZINC000834976803 654356274 /nfs/dbraw/zinc/35/62/74/654356274.db2.gz OKILKPXEGGPOGC-SNVBAGLBSA-N 0 1 380.246 2.142 20 30 GEEDMN CS(=O)(=O)N1CCCC[C@H]1CNCc1cc(C#N)ccc1Br ZINC000922124694 654370310 /nfs/dbraw/zinc/37/03/10/654370310.db2.gz YGUSBXIEQCSRIY-AWEZNQCLSA-N 0 1 386.315 2.224 20 30 GEEDMN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCc2ncc(Br)cc2O)C1 ZINC000893575893 654408813 /nfs/dbraw/zinc/40/88/13/654408813.db2.gz KVOGFJZWUQZCTM-GXFFZTMASA-N 0 1 397.273 2.398 20 30 GEEDMN O=C(NCCS(=O)(=O)CC(F)(F)F)C(F)(F)c1c(F)cccc1F ZINC000855576071 654426818 /nfs/dbraw/zinc/42/68/18/654426818.db2.gz IHFVIGOWYNSTJH-UHFFFAOYSA-N 0 1 381.269 2.150 20 30 GEEDMN N#CCCN(CCN1CCOCC1)Cc1cc(Br)cc(F)c1O ZINC000893863756 654427895 /nfs/dbraw/zinc/42/78/95/654427895.db2.gz NKIFHNYEOZKFNX-UHFFFAOYSA-N 0 1 386.265 2.342 20 30 GEEDMN C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(C#N)c(Br)c1 ZINC000923263677 654440175 /nfs/dbraw/zinc/44/01/75/654440175.db2.gz AMCSWJXDUUAZDZ-UONOGXRCSA-N 0 1 378.270 2.395 20 30 GEEDMN C#C[C@@H](NC(=O)c1cccc(I)c1O)C1CCOCC1 ZINC000856103979 654461748 /nfs/dbraw/zinc/46/17/48/654461748.db2.gz QHLAJUXJWQXILR-CYBMUJFWSA-N 0 1 385.201 2.155 20 30 GEEDMN O=C(Cn1nc(C(F)F)cc1C(F)F)OCCCNC(=O)C(F)(F)F ZINC000923995323 654496407 /nfs/dbraw/zinc/49/64/07/654496407.db2.gz MZAMDWQVIIZTOJ-UHFFFAOYSA-N 0 1 379.232 2.370 20 30 GEEDMN CN1CCC2(CCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000907856569 654583812 /nfs/dbraw/zinc/58/38/12/654583812.db2.gz BFAVDAQUHWHKBY-UHFFFAOYSA-N 0 1 384.299 2.180 20 30 GEEDMN N#Cc1ccc(N[C@H]2CCCN(C(=O)CSc3n[nH]c(=S)s3)C2)nc1 ZINC000928721864 654656824 /nfs/dbraw/zinc/65/68/24/654656824.db2.gz CTGLPZOXJCGGJK-NSHDSACASA-N 0 1 392.535 2.289 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)cc(C#N)n4)C3)O2)CC1 ZINC001164887690 721404115 /nfs/dbraw/zinc/40/41/15/721404115.db2.gz MJQDKWNNCWWJQL-AZUAARDMSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5[nH]c(C#N)cc5n4)C3)O2)CC1 ZINC001164889536 721430870 /nfs/dbraw/zinc/43/08/70/721430870.db2.gz BKKSSIXXJPXVLV-AVRDEDQJSA-N 0 1 394.523 2.200 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCC5)C3)O2)CC1 ZINC001164890746 721434802 /nfs/dbraw/zinc/43/48/02/721434802.db2.gz DXOABBJFUNCWJL-OFNKIYASSA-N 0 1 395.551 2.207 20 30 GEEDMN N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902822 721528246 /nfs/dbraw/zinc/52/82/46/721528246.db2.gz BHWYGVBRBHNQQX-WMZOPIPTSA-N 0 1 383.383 2.342 20 30 GEEDMN Cc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(C=NO)c1 ZINC001164809833 721570661 /nfs/dbraw/zinc/57/06/61/721570661.db2.gz XKNUMNUERABPRZ-AABGKKOBSA-N 0 1 381.480 2.461 20 30 GEEDMN C=CCNC(=O)NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000021261550 531586461 /nfs/dbraw/zinc/58/64/61/531586461.db2.gz RHEAZOVPBZLEPI-UHFFFAOYSA-N 0 1 396.270 2.338 20 30 GEEDMN CCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000067964070 531892371 /nfs/dbraw/zinc/89/23/71/531892371.db2.gz PQYUBAURHRBAFS-OAHLLOKOSA-N 0 1 383.901 2.439 20 30 GEEDMN Cc1nc(C)c(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000176835477 532151240 /nfs/dbraw/zinc/15/12/40/532151240.db2.gz SCCVUEWQPCWKSI-UHFFFAOYSA-N 0 1 378.523 2.384 20 30 GEEDMN CN1C[C@@H]2CCCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@@H]2C1 ZINC000425213331 532375641 /nfs/dbraw/zinc/37/56/41/532375641.db2.gz GTKSBKBRZKTHFE-SWLSCSKDSA-N 0 1 384.299 2.035 20 30 GEEDMN N#CCCN(CCC#N)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000463181020 532368790 /nfs/dbraw/zinc/36/87/90/532368790.db2.gz BYHMJQSONCFPJJ-UHFFFAOYSA-N 0 1 393.188 2.437 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000590675899 532380652 /nfs/dbraw/zinc/38/06/52/532380652.db2.gz MXPXFZUMAZRLLF-UHFFFAOYSA-N 0 1 390.241 2.224 20 30 GEEDMN C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000192128180 532387248 /nfs/dbraw/zinc/38/72/48/532387248.db2.gz PFSZPZKNAPWFHK-SNVBAGLBSA-N 0 1 386.401 2.451 20 30 GEEDMN C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1 ZINC000192179803 532392712 /nfs/dbraw/zinc/39/27/12/532392712.db2.gz DOSKWOSYWGJFIV-CVEARBPZSA-N 0 1 378.567 2.284 20 30 GEEDMN N#Cc1csc(CNCC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000518015457 532433565 /nfs/dbraw/zinc/43/35/65/532433565.db2.gz XJOUUTQPSKIYAB-UHFFFAOYSA-N 0 1 376.507 2.205 20 30 GEEDMN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000282337911 532458155 /nfs/dbraw/zinc/45/81/55/532458155.db2.gz QUTJHHNZMZTJTG-GHMZBOCLSA-N 0 1 379.408 2.087 20 30 GEEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000562514652 532468817 /nfs/dbraw/zinc/46/88/17/532468817.db2.gz YABUJXAKITVGJL-OLZOCXBDSA-N 0 1 377.242 2.442 20 30 GEEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000562514652 532468820 /nfs/dbraw/zinc/46/88/20/532468820.db2.gz YABUJXAKITVGJL-OLZOCXBDSA-N 0 1 377.242 2.442 20 30 GEEDMN Cc1cccc(C(=O)NC2(C#N)CCN(C)CC2)c1I ZINC000221990280 532484798 /nfs/dbraw/zinc/48/47/98/532484798.db2.gz MGMUMZUXSHYZRF-UHFFFAOYSA-N 0 1 383.233 2.317 20 30 GEEDMN CN1CCN(c2ccc(CNc3ncc(Br)cc3C#N)cn2)CC1 ZINC000296453095 532521971 /nfs/dbraw/zinc/52/19/71/532521971.db2.gz IURRBMGIYOAYEZ-UHFFFAOYSA-N 0 1 387.285 2.475 20 30 GEEDMN CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000594799215 532531467 /nfs/dbraw/zinc/53/14/67/532531467.db2.gz JMPRVXNVUOJINN-LLVKDONJSA-N 0 1 386.315 2.472 20 30 GEEDMN Cc1nc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)sc1C ZINC000435228458 532611114 /nfs/dbraw/zinc/61/11/14/532611114.db2.gz WBIMJOHIRBHTCB-UHFFFAOYSA-N 0 1 378.523 2.384 20 30 GEEDMN C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000377102931 532642861 /nfs/dbraw/zinc/64/28/61/532642861.db2.gz FNMVHDUZOXNGFB-UHFFFAOYSA-N 0 1 380.813 2.452 20 30 GEEDMN C=CCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000298940717 532686177 /nfs/dbraw/zinc/68/61/77/532686177.db2.gz CTJSVXTXIMILDS-GFCCVEGCSA-N 0 1 395.301 2.185 20 30 GEEDMN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000487393080 532698228 /nfs/dbraw/zinc/69/82/28/532698228.db2.gz MUCBQMNHZIEIJT-CYBMUJFWSA-N 0 1 388.511 2.186 20 30 GEEDMN C=CC[C@H](CO)CNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000540434561 532738784 /nfs/dbraw/zinc/73/87/84/532738784.db2.gz OUGSCWYKMZPOAA-VIFPVBQESA-N 0 1 385.205 2.082 20 30 GEEDMN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000549636672 532796318 /nfs/dbraw/zinc/79/63/18/532796318.db2.gz RQVAUJOAFRMOBH-PBHICJAKSA-N 0 1 384.571 2.327 20 30 GEEDMN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCS(=O)(=O)C1 ZINC000329576813 532808790 /nfs/dbraw/zinc/80/87/90/532808790.db2.gz OJYAALYBYVPLSO-GFCCVEGCSA-N 0 1 381.523 2.453 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)Nc1cccc(C(N)=O)c1 ZINC000550106281 532797998 /nfs/dbraw/zinc/79/79/98/532797998.db2.gz KROXIAGGDIFSBJ-UHFFFAOYSA-N 0 1 380.223 2.220 20 30 GEEDMN CN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000288982222 532844081 /nfs/dbraw/zinc/84/40/81/532844081.db2.gz RRAMOXYYEZOQJN-UHFFFAOYSA-N 0 1 390.278 2.175 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1N1CCCC1 ZINC000332085162 532848416 /nfs/dbraw/zinc/84/84/16/532848416.db2.gz QFUMHZREYMZSLR-GJZGRUSLSA-N 0 1 385.942 2.412 20 30 GEEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(N3CN=NC3=O)c2)c1 ZINC000364713593 532908124 /nfs/dbraw/zinc/90/81/24/532908124.db2.gz NEQDYCHOBMIDLM-UHFFFAOYSA-N 0 1 375.797 2.299 20 30 GEEDMN NC(=NOCc1cc(Br)no1)c1ccc(N2CCC(O)CC2)cc1 ZINC000292069283 532912385 /nfs/dbraw/zinc/91/23/85/532912385.db2.gz KWURQKDBUPWTPX-UHFFFAOYSA-N 0 1 395.257 2.235 20 30 GEEDMN Cc1nc(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000293299266 532924743 /nfs/dbraw/zinc/92/47/43/532924743.db2.gz UXBRJXDMEQMKCR-HNNXBMFYSA-N 0 1 375.274 2.258 20 30 GEEDMN C#CCN(C)CCCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000293969444 532934060 /nfs/dbraw/zinc/93/40/60/532934060.db2.gz LXRRWUZKLNZUES-QHCPKHFHSA-N 0 1 399.354 2.408 20 30 GEEDMN COC(=O)[C@]12CN(Cc3cc(C#N)ccc3Br)C[C@H]1COCC2 ZINC000369707927 532940497 /nfs/dbraw/zinc/94/04/97/532940497.db2.gz XYROJJMUAIXGNZ-WMLDXEAASA-N 0 1 379.254 2.332 20 30 GEEDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000328706794 570647287 /nfs/dbraw/zinc/64/72/87/570647287.db2.gz ZGAZBUXLTGCLSN-IYBDPMFKSA-N 0 1 394.903 2.127 20 30 GEEDMN C[C@H]1CN(Cc2ccccn2)CCC1=NNCc1ccc(-c2nn[nH]n2)cc1 ZINC000820759962 607253496 /nfs/dbraw/zinc/25/34/96/607253496.db2.gz OQXHXZSZZKGPTG-HNNXBMFYSA-N 0 1 376.468 2.249 20 30 GEEDMN N#Cc1cccc(-c2nnc(Cn3cc(-c4nn[nH]n4)c(=O)c4ccccc43)o2)c1 ZINC000737722294 599167824 /nfs/dbraw/zinc/16/78/24/599167824.db2.gz HBLAPQSHWHNKAJ-UHFFFAOYSA-N 0 1 396.370 2.152 20 30 GEEDMN N#Cc1cc(F)c(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c(F)c1 ZINC000737703506 598745447 /nfs/dbraw/zinc/74/54/47/598745447.db2.gz BYXNBJKJWFWFKN-UHFFFAOYSA-N 0 1 398.377 2.209 20 30 GEEDMN COc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000737922403 600563457 /nfs/dbraw/zinc/56/34/57/600563457.db2.gz MPBBMKAWZCSQJP-IBGZPJMESA-N 0 1 379.416 2.151 20 30 GEEDMN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 ZINC000739104885 600565353 /nfs/dbraw/zinc/56/53/53/600565353.db2.gz IANDMZQDYHUWRC-FQEVSTJZSA-N 0 1 397.406 2.046 20 30 GEEDMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1C[C@@H](O)c1ccccc1 ZINC000736808035 600568582 /nfs/dbraw/zinc/56/85/82/600568582.db2.gz NDYHXMGAGMMBJG-MAODMQOUSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736808035 600568584 /nfs/dbraw/zinc/56/85/84/600568584.db2.gz NDYHXMGAGMMBJG-MAODMQOUSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736808035 600568585 /nfs/dbraw/zinc/56/85/85/600568585.db2.gz NDYHXMGAGMMBJG-MAODMQOUSA-N 0 1 379.460 2.424 20 30 GEEDMN CSc1[nH]c(=O)c(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826229429 607464548 /nfs/dbraw/zinc/46/45/48/607464548.db2.gz DKKDOFUXIMRBMG-AWEZNQCLSA-N 0 1 395.448 2.464 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833064450 601021961 /nfs/dbraw/zinc/02/19/61/601021961.db2.gz JBMRCKNCSKUNBV-ZIAGYGMSSA-N 0 1 382.445 2.116 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833064445 601022236 /nfs/dbraw/zinc/02/22/36/601022236.db2.gz JBMRCKNCSKUNBV-KGLIPLIRSA-N 0 1 382.445 2.116 20 30 GEEDMN N#Cc1c2c(sc1NC(=O)CC[N@H+](CC(=O)[O-])C1CCOCC1)CCC2 ZINC000833068179 601045846 /nfs/dbraw/zinc/04/58/46/601045846.db2.gz PSFCHQUUOXBNKV-UHFFFAOYSA-N 0 1 377.466 2.003 20 30 GEEDMN CS(=O)(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000832704039 601312585 /nfs/dbraw/zinc/31/25/85/601312585.db2.gz STEINNFRYMAUFX-GOSISDBHSA-N 0 1 385.445 2.114 20 30 GEEDMN CS(=O)(=O)Nc1cccc2c1CC[N@H+]([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000832704039 601312587 /nfs/dbraw/zinc/31/25/87/601312587.db2.gz STEINNFRYMAUFX-GOSISDBHSA-N 0 1 385.445 2.114 20 30 GEEDMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C[C@@H](O)c1ccccc1 ZINC000828413133 601315048 /nfs/dbraw/zinc/31/50/48/601315048.db2.gz PRKQIKXHWOXWAR-HBGVWJBISA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000828413133 601315052 /nfs/dbraw/zinc/31/50/52/601315052.db2.gz PRKQIKXHWOXWAR-HBGVWJBISA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000828413133 601315053 /nfs/dbraw/zinc/31/50/53/601315053.db2.gz PRKQIKXHWOXWAR-HBGVWJBISA-N 0 1 379.460 2.424 20 30 GEEDMN CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2CCN(C(=O)[O-])CC2)CC1=O ZINC000739729820 602039300 /nfs/dbraw/zinc/03/93/00/602039300.db2.gz SUBODRZWDNXDPA-UHFFFAOYSA-N 0 1 383.452 2.036 20 30 GEEDMN CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCCN(C(=O)[O-])C2)CC1=O ZINC000739728088 602039332 /nfs/dbraw/zinc/03/93/32/602039332.db2.gz LKGKKEDPDGKICI-ZDUSSCGKSA-N 0 1 383.452 2.036 20 30 GEEDMN N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC([C@@H]4CCCN4C(=O)[O-])CC3)C2=O)cc1 ZINC000740316429 602282566 /nfs/dbraw/zinc/28/25/66/602282566.db2.gz XFWIFPLGULCBHD-ZWKOTPCHSA-N 0 1 396.447 2.045 20 30 GEEDMN N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[O-])C1)CCC2 ZINC000740310245 602376777 /nfs/dbraw/zinc/37/67/77/602376777.db2.gz CRNOWHIZRXIPGT-LBPRGKRZSA-N 0 1 376.482 2.417 20 30 GEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738611114 602529818 /nfs/dbraw/zinc/52/98/18/602529818.db2.gz BVWWHZJBIXSRJY-HUUCEWRRSA-N 0 1 376.432 2.393 20 30 GEEDMN C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[C@@H]1NC(=O)[O-] ZINC000739178972 602781425 /nfs/dbraw/zinc/78/14/25/602781425.db2.gz AFGKYZWWOAZBGN-FZMZJTMJSA-N 0 1 376.482 2.415 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000739509230 602792315 /nfs/dbraw/zinc/79/23/15/602792315.db2.gz XXJOEIJUNGZSFP-CRAIPNDOSA-N 0 1 388.468 2.310 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000739509230 602792316 /nfs/dbraw/zinc/79/23/16/602792316.db2.gz XXJOEIJUNGZSFP-CRAIPNDOSA-N 0 1 388.468 2.310 20 30 GEEDMN C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)(C)CNC(=O)[O-] ZINC000828170102 603631445 /nfs/dbraw/zinc/63/14/45/603631445.db2.gz RXLBKVLIURXXNV-AWEZNQCLSA-N 0 1 381.436 2.449 20 30 GEEDMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1cn2ccccc2c1C#N ZINC000826294965 607718171 /nfs/dbraw/zinc/71/81/71/607718171.db2.gz LHVUKGBIORMIML-UHFFFAOYSA-N 0 1 382.387 2.058 20 30 GEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000833417116 604928402 /nfs/dbraw/zinc/92/84/02/604928402.db2.gz MOKPYOASGSXUOA-DZGCQCFKSA-N 0 1 396.447 2.334 20 30 GEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000833417116 604928404 /nfs/dbraw/zinc/92/84/04/604928404.db2.gz MOKPYOASGSXUOA-DZGCQCFKSA-N 0 1 396.447 2.334 20 30 GEEDMN C=CCOc1ccc(/C=C\C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)cc1OC ZINC000833377947 605110757 /nfs/dbraw/zinc/11/07/57/605110757.db2.gz RSQPCQSZTVIKMJ-IOBAAEILSA-N 0 1 388.464 2.281 20 30 GEEDMN N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000833967051 605670725 /nfs/dbraw/zinc/67/07/25/605670725.db2.gz GXNSBAQVNYFXHK-HOJAQTOUSA-N 0 1 387.480 2.489 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)s1 ZINC000833971796 605686408 /nfs/dbraw/zinc/68/64/08/605686408.db2.gz NUHHTVZWRLYNMZ-CZUORRHYSA-N 0 1 376.482 2.090 20 30 GEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1F ZINC000833978548 605952515 /nfs/dbraw/zinc/95/25/15/605952515.db2.gz ONOABEGKKFQADD-RHSMWYFYSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833977460 606007183 /nfs/dbraw/zinc/00/71/83/606007183.db2.gz ZPCGDYZWPXNKRL-AEFFLSMTSA-N 0 1 391.493 2.186 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833977460 606007185 /nfs/dbraw/zinc/00/71/85/606007185.db2.gz ZPCGDYZWPXNKRL-AEFFLSMTSA-N 0 1 391.493 2.186 20 30 GEEDMN O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1ccc(O)c(CN2CCOCC2)c1 ZINC000822924202 606304651 /nfs/dbraw/zinc/30/46/51/606304651.db2.gz YTZSXBXYFQQZQC-DUXPYHPUSA-N 0 1 397.460 2.362 20 30 GEEDMN COC(=O)c1cc2c(o1)c(OC)ccc2CN=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000821668886 606370289 /nfs/dbraw/zinc/37/02/89/606370289.db2.gz NTFLDPFMOSPRPZ-UHFFFAOYSA-N 0 1 397.351 2.151 20 30 GEEDMN COC(=O)[C@H](C)n1cccc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000826103115 608388613 /nfs/dbraw/zinc/38/86/13/608388613.db2.gz CTTVUHKAKXFJQF-JTQLQIEISA-N 0 1 386.416 2.134 20 30 GEEDMN Clc1cc(-c2nn[nH]n2)cc(N=NCc2ccc(N3CCOCC3)s2)n1 ZINC000826350339 608541289 /nfs/dbraw/zinc/54/12/89/608541289.db2.gz RHDLRSPNHZWGIC-UHFFFAOYSA-N 0 1 390.860 2.259 20 30 GEEDMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccccc1O[C@H](C)C#N ZINC000826279737 609531163 /nfs/dbraw/zinc/53/11/63/609531163.db2.gz ABVKFSQSLAFBBY-GFCCVEGCSA-N 0 1 384.421 2.267 20 30 GEEDMN N#Cc1ccc(OCC(=O)N2CCN3CCCC[C@@H]3C2)cc1Br ZINC000449804831 650051231 /nfs/dbraw/zinc/05/12/31/650051231.db2.gz TWVCKXGWIHQJDA-CQSZACIVSA-N 0 1 378.270 2.396 20 30 GEEDMN N#Cc1ccc(OCC(=O)N2CCN(C3CCC3)CC2)cc1Br ZINC000449861929 650054303 /nfs/dbraw/zinc/05/43/03/650054303.db2.gz UEQDKGQJESYMKF-UHFFFAOYSA-N 0 1 378.270 2.396 20 30 GEEDMN CC1=CCN(CCNC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000450623278 650068385 /nfs/dbraw/zinc/06/83/85/650068385.db2.gz MCHKTNILLZKVFY-UHFFFAOYSA-N 0 1 378.270 2.468 20 30 GEEDMN CN(C)C(=O)CCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501047389 650386620 /nfs/dbraw/zinc/38/66/20/650386620.db2.gz CXSZGHRCUKMYIU-INIZCTEOSA-N 0 1 379.302 2.110 20 30 GEEDMN C#CCN1CCC(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000057175213 642807800 /nfs/dbraw/zinc/80/78/00/642807800.db2.gz JBQUEOIURILWGD-UHFFFAOYSA-N 0 1 381.307 2.382 20 30 GEEDMN CCCn1c(=O)[nH]nc1S(=O)(=O)Cc1cc(C#N)ccc1Br ZINC000492376136 650790703 /nfs/dbraw/zinc/79/07/03/650790703.db2.gz LMKYFZVQEIYPSC-UHFFFAOYSA-N 0 1 385.243 2.002 20 30 GEEDMN C=CC1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)CC1 ZINC000536381740 650801504 /nfs/dbraw/zinc/80/15/04/650801504.db2.gz HLZCOBLWFICIDV-UHFFFAOYSA-N 0 1 388.511 2.044 20 30 GEEDMN N#C[C@H]1CSCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000538230843 650832404 /nfs/dbraw/zinc/83/24/04/650832404.db2.gz ZIUIKHCBFUPFBU-VIFPVBQESA-N 0 1 398.229 2.249 20 30 GEEDMN COCC[S@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000116711578 643469025 /nfs/dbraw/zinc/46/90/25/643469025.db2.gz UYCFRXLTIUGDJM-XMMPIXPASA-N 0 1 378.475 2.254 20 30 GEEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)Cn1cc(Br)ccc1=O ZINC000122099267 643650503 /nfs/dbraw/zinc/65/05/03/643650503.db2.gz UROYRTUQHRXSFQ-GFCCVEGCSA-N 0 1 385.221 2.374 20 30 GEEDMN N#CC(C(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130484557 643840517 /nfs/dbraw/zinc/84/05/17/643840517.db2.gz RIQNQSVSKJKBFC-ZANVPECISA-N 0 1 389.260 2.466 20 30 GEEDMN CCn1c(SCC(=O)C(C#N)C(=O)NC(C)C)nnc1-c1cccs1 ZINC000130846100 643852864 /nfs/dbraw/zinc/85/28/64/643852864.db2.gz KEFKWLRVGQDNGL-NSHDSACASA-N 0 1 377.495 2.352 20 30 GEEDMN COc1ccc(Br)c(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC000255363907 645580091 /nfs/dbraw/zinc/58/00/91/645580091.db2.gz VEBSDKWALWTCHQ-FOCLMDBBSA-N 0 1 380.242 2.074 20 30 GEEDMN N#CCN1CCC[C@H](CNC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000267114178 645884023 /nfs/dbraw/zinc/88/40/23/645884023.db2.gz CGJITOMJIHAMSX-LLVKDONJSA-N 0 1 376.258 2.291 20 30 GEEDMN N#Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000367577613 647739394 /nfs/dbraw/zinc/73/93/94/647739394.db2.gz CZCGACBOWJNVPX-CVEARBPZSA-N 0 1 393.285 2.384 20 30 GEEDMN N#Cc1ccc(-n2ccc(NC(=O)CSc3n[nH]c(=S)s3)n2)c(F)c1 ZINC000374662502 647825138 /nfs/dbraw/zinc/82/51/38/647825138.db2.gz KFIQCPRIAIEDGN-UHFFFAOYSA-N 0 1 392.466 2.754 20 30 GEEDMN CC(C)(C)c1nc(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)n[nH]1 ZINC000416538520 648165580 /nfs/dbraw/zinc/16/55/80/648165580.db2.gz AWBGEDOYNHGWNN-UHFFFAOYSA-N 0 1 398.286 2.215 20 30 GEEDMN CCCS(=O)(=O)Nc1cc(NS(=O)(=O)[C@H](C#N)CC)c(F)cc1F ZINC000416946099 648217923 /nfs/dbraw/zinc/21/79/23/648217923.db2.gz WYLOWTLMQSLIAM-VIFPVBQESA-N 0 1 381.426 2.160 20 30 GEEDMN C=CCOc1c(Br)cc(CN[C@H]2CCC(=O)N(C)C2=O)cc1OC ZINC000424214266 648619353 /nfs/dbraw/zinc/61/93/53/648619353.db2.gz XGPXHWCACISUCP-ZDUSSCGKSA-N 0 1 397.269 2.260 20 30 GEEDMN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435717730 648785942 /nfs/dbraw/zinc/78/59/42/648785942.db2.gz QSQYDHQQPGACIN-UHFFFAOYSA-N 0 1 379.463 2.347 20 30 GEEDMN COC(=O)CCN1CCN(Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553879193 651192268 /nfs/dbraw/zinc/19/22/68/651192268.db2.gz UNKVSRNUGRMANK-ZDUSSCGKSA-N 0 1 380.286 2.390 20 30 GEEDMN N#Cc1cccnc1NCCNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000731876957 651636853 /nfs/dbraw/zinc/63/68/53/651636853.db2.gz LZYKSHUZPJFISA-UHFFFAOYSA-N 0 1 385.225 2.434 20 30 GEEDMN CC(=O)N(c1nc(C=Nn2c(C(F)(F)F)n[nH]c2=S)cs1)C1CC1 ZINC000734297265 651741223 /nfs/dbraw/zinc/74/12/23/651741223.db2.gz JAQNHWQFOXLENN-UHFFFAOYSA-N 0 1 376.389 2.440 20 30 GEEDMN N#CCN1CCC(N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000614137238 651813440 /nfs/dbraw/zinc/81/34/40/651813440.db2.gz IEGCLLYZAKMUSZ-OAHLLOKOSA-N 0 1 398.326 2.245 20 30 GEEDMN N#C[C@]1(F)CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000615597510 651868989 /nfs/dbraw/zinc/86/89/89/651868989.db2.gz ZXSXAZWBZOCQMJ-CYBMUJFWSA-N 0 1 384.152 2.245 20 30 GEEDMN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccccc1Cl ZINC000573317531 651946360 /nfs/dbraw/zinc/94/63/60/651946360.db2.gz MAIOZCYSTDJLNU-ZDUSSCGKSA-N 0 1 379.869 2.437 20 30 GEEDMN Cc1c(S(=O)(=O)Nc2cnn(CC#N)c2)cnn1-c1ccc(Cl)cc1 ZINC000742030517 651963913 /nfs/dbraw/zinc/96/39/13/651963913.db2.gz YPTONMARQPXRFH-UHFFFAOYSA-N 0 1 376.829 2.355 20 30 GEEDMN CN(C)CC(=O)N1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000577762140 652213656 /nfs/dbraw/zinc/21/36/56/652213656.db2.gz CWOREGPTXXMZNY-UHFFFAOYSA-N 0 1 385.693 2.184 20 30 GEEDMN CC(C)(C#N)CCS(=O)(=O)Nc1ccc(C(N)=O)cc1OCC(F)F ZINC000578893633 652302598 /nfs/dbraw/zinc/30/25/98/652302598.db2.gz GVNDBYZZZFFCEN-UHFFFAOYSA-N 0 1 375.397 2.111 20 30 GEEDMN COc1cc(Cl)c(C=NNc2ccc(S(N)(=O)=O)cn2)cc1Cl ZINC000753923100 652420528 /nfs/dbraw/zinc/42/05/28/652420528.db2.gz CISGRTIPIMGNEU-UHFFFAOYSA-N 0 1 375.237 2.490 20 30 GEEDMN COc1cccc(CN(CCN(C)C)S(=O)(=O)c2ccsc2C#N)c1 ZINC000593581252 652626268 /nfs/dbraw/zinc/62/62/68/652626268.db2.gz IPQUJJLKPVCZFQ-UHFFFAOYSA-N 0 1 379.507 2.381 20 30 GEEDMN COC[C@H](CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)OC ZINC000595411216 652724820 /nfs/dbraw/zinc/72/48/20/652724820.db2.gz ZSARVEZWDGNYNN-IRXDYDNUSA-N 0 1 382.302 2.293 20 30 GEEDMN C#C[C@H](NC(=O)N[C@H](C)CN1CCN(C)CC1)c1ccc(Br)cc1 ZINC000836349303 653345962 /nfs/dbraw/zinc/34/59/62/653345962.db2.gz LDOYJHCXUPCGFE-PBHICJAKSA-N 0 1 393.329 2.059 20 30 GEEDMN CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000810574883 653346432 /nfs/dbraw/zinc/34/64/32/653346432.db2.gz JLSSOSJUUOSIGD-MRXNPFEDSA-N 0 1 387.864 2.229 20 30 GEEDMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000810574883 653346437 /nfs/dbraw/zinc/34/64/37/653346437.db2.gz JLSSOSJUUOSIGD-MRXNPFEDSA-N 0 1 387.864 2.229 20 30 GEEDMN Brc1ccccc1-n1cc(C=NNCCN2CCCCC2)nn1 ZINC000811639323 653399842 /nfs/dbraw/zinc/39/98/42/653399842.db2.gz WQCIWTHDMRTDPI-UHFFFAOYSA-N 0 1 377.290 2.439 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000876802667 653449200 /nfs/dbraw/zinc/44/92/00/653449200.db2.gz RMQHEFRMNUYLIX-JOYOIKCWSA-N 0 1 377.267 2.414 20 30 GEEDMN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)c1cc(Br)no1 ZINC000878010849 653626349 /nfs/dbraw/zinc/62/63/49/653626349.db2.gz NINVZEIKVDNNMY-AWEZNQCLSA-N 0 1 380.242 2.491 20 30 GEEDMN CC(C)NS(=O)(=O)c1ccc(NN=Cc2c(Cl)nc(Cl)n2C)nc1 ZINC000814802450 653639669 /nfs/dbraw/zinc/63/96/69/653639669.db2.gz IGSPRPZFERXAQO-UHFFFAOYSA-N 0 1 391.284 2.255 20 30 GEEDMN C#CCNC(=O)CCN(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000815120003 653652896 /nfs/dbraw/zinc/65/28/96/653652896.db2.gz LQRRSJKGFPWFIS-OAHLLOKOSA-N 0 1 376.806 2.247 20 30 GEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880219125 653700900 /nfs/dbraw/zinc/70/09/00/653700900.db2.gz WOVHGOCXRBNWNK-QBIMZIAESA-N 0 1 394.313 2.397 20 30 GEEDMN CC(C)(C)OC(=O)c1ccc(C=NNc2ccc(S(N)(=O)=O)cn2)s1 ZINC000863079078 653701950 /nfs/dbraw/zinc/70/19/50/653701950.db2.gz FMQLEJJFJPQDQE-UHFFFAOYSA-N 0 1 382.467 2.192 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2ccc(F)c(Br)c2)CC1 ZINC000840951787 653703413 /nfs/dbraw/zinc/70/34/13/653703413.db2.gz KNTXNJOVKDECCY-UHFFFAOYSA-N 0 1 389.290 2.354 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000841194669 653710014 /nfs/dbraw/zinc/71/00/14/653710014.db2.gz OUTHQVIJKILDEU-KOLCDFICSA-N 0 1 393.270 2.201 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000841199693 653710418 /nfs/dbraw/zinc/71/04/18/653710418.db2.gz MWSDSZKFWXFQAN-YGRLFVJLSA-N 0 1 379.251 2.471 20 30 GEEDMN C#CC[C@@H](CCOC)NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000863785342 653720186 /nfs/dbraw/zinc/72/01/86/653720186.db2.gz DEVVIFSVLXYSLD-NSHDSACASA-N 0 1 397.216 2.326 20 30 GEEDMN C#CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)C(=O)OC ZINC000841539972 653730124 /nfs/dbraw/zinc/73/01/24/653730124.db2.gz IJJBESGEZACBIW-GFCCVEGCSA-N 0 1 394.674 2.087 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000787740922 653743120 /nfs/dbraw/zinc/74/31/20/653743120.db2.gz XKDOORZMLWIOHB-MRXNPFEDSA-N 0 1 394.313 2.355 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NCCN2CCC(O)CC2)s1 ZINC000819559107 653753032 /nfs/dbraw/zinc/75/30/32/653753032.db2.gz IQNQAPBCLOZNLT-UHFFFAOYSA-N 0 1 389.974 2.412 20 30 GEEDMN COc1ccc(-c2n[nH]c(SCC(=O)NCCC#N)n2)cc1Br ZINC000788822448 653764989 /nfs/dbraw/zinc/76/49/89/653764989.db2.gz CQFULDUNSSGDRP-UHFFFAOYSA-N 0 1 396.270 2.365 20 30 GEEDMN C#CCN(C(=O)[C@@H](O)c1c[nH]cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000865825769 653776429 /nfs/dbraw/zinc/77/64/29/653776429.db2.gz GJYIIQVBOVOEAQ-HOCLYGCPSA-N 0 1 390.237 2.191 20 30 GEEDMN C#CCN(C(=O)CCc1c[nH]nn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000865826311 653776625 /nfs/dbraw/zinc/77/66/25/653776625.db2.gz RXKBZMDVKJUEEL-HNNXBMFYSA-N 0 1 389.253 2.485 20 30 GEEDMN C#CCN(C(=O)CCc1cnn[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000865826311 653776626 /nfs/dbraw/zinc/77/66/26/653776626.db2.gz RXKBZMDVKJUEEL-HNNXBMFYSA-N 0 1 389.253 2.485 20 30 GEEDMN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)c2cn[nH]c2CC)n1 ZINC000843784169 653793898 /nfs/dbraw/zinc/79/38/98/653793898.db2.gz MXDALRVIYJMJHA-UHFFFAOYSA-N 0 1 375.483 2.338 20 30 GEEDMN CCc1cc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n[nH]1 ZINC000843796755 653794314 /nfs/dbraw/zinc/79/43/14/653794314.db2.gz VLZPJQWMRJSUNS-UHFFFAOYSA-N 0 1 388.269 2.359 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000844194057 653803046 /nfs/dbraw/zinc/80/30/46/653803046.db2.gz VTYJDYDHHWYWFH-SMDDNHRTSA-N 0 1 391.294 2.343 20 30 GEEDMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(Br)c(C#N)n2)C[C@@H](C)O1 ZINC000883077801 653825218 /nfs/dbraw/zinc/82/52/18/653825218.db2.gz WLBZJIAXIMPWBX-VXGBXAGGSA-N 0 1 396.289 2.337 20 30 GEEDMN Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1C#N ZINC000793350389 653876222 /nfs/dbraw/zinc/87/62/22/653876222.db2.gz MKCAXHYDYGRCJD-UHFFFAOYSA-N 0 1 387.389 2.059 20 30 GEEDMN CN(C)C1(CS(=O)(=O)Oc2c(F)cc(C#N)cc2Br)CC1 ZINC000867550332 653949717 /nfs/dbraw/zinc/94/97/17/653949717.db2.gz YKVJZFDKTHWAFM-UHFFFAOYSA-N 0 1 377.235 2.263 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c(=O)c1C#N ZINC000848376186 653973366 /nfs/dbraw/zinc/97/33/66/653973366.db2.gz MUDOUXKFTXOUFT-BREBYQMCSA-N 0 1 395.301 2.431 20 30 GEEDMN C[C@]1(C#N)CN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCO1 ZINC000887679250 654044748 /nfs/dbraw/zinc/04/47/48/654044748.db2.gz UCIYEFFPPPWCJM-INIZCTEOSA-N 0 1 376.210 2.045 20 30 GEEDMN Cc1n[nH]c(I)c1C(=O)N(CCC#N)Cc1ccco1 ZINC000900454595 654064574 /nfs/dbraw/zinc/06/45/74/654064574.db2.gz HUIYHWHOSZFQGC-UHFFFAOYSA-N 0 1 384.177 2.472 20 30 GEEDMN Cc1nc([C@@H](C)OC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n[nH]1 ZINC000829447439 654067578 /nfs/dbraw/zinc/06/75/78/654067578.db2.gz JSRKGIAWRRCRFI-SECBINFHSA-N 0 1 390.241 2.488 20 30 GEEDMN N#Cc1cc(OCC(=O)CCNC(=O)C(F)(F)F)ccc1Br ZINC000901713724 654142736 /nfs/dbraw/zinc/14/27/36/654142736.db2.gz CRZNPHHQMNPIPX-UHFFFAOYSA-N 0 1 379.132 2.337 20 30 GEEDMN CN1CCN(c2ccc(CNc3cc(Br)cnc3C#N)cn2)CC1 ZINC000853125149 654280667 /nfs/dbraw/zinc/28/06/67/654280667.db2.gz MAWLTIXMEVUTLC-UHFFFAOYSA-N 0 1 387.285 2.475 20 30 GEEDMN COc1cccc(S(C)(=O)=O)c1NN=Cc1c(C(F)(F)F)cnn1C ZINC000853334310 654292516 /nfs/dbraw/zinc/29/25/16/654292516.db2.gz YSNMYBHSVWMLTG-UHFFFAOYSA-N 0 1 376.360 2.297 20 30 GEEDMN COCc1nc2n(n1)C[C@H](NCc1cc(C#N)ccc1Br)CC2 ZINC000921838590 654329234 /nfs/dbraw/zinc/32/92/34/654329234.db2.gz IQQZNKRUGPOKHQ-CYBMUJFWSA-N 0 1 376.258 2.163 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000834494407 654330328 /nfs/dbraw/zinc/33/03/28/654330328.db2.gz MTRBMWCYBHTLSD-IONNQARKSA-N 0 1 383.296 2.475 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000905569710 654366621 /nfs/dbraw/zinc/36/66/21/654366621.db2.gz XIUPYRGRVAYXEU-HIFRSBDPSA-N 0 1 376.400 2.422 20 30 GEEDMN N#Cc1ccc(Br)c(CN[C@H]2CCN(c3ccc4nncn4n3)C2)c1 ZINC000922283636 654381427 /nfs/dbraw/zinc/38/14/27/654381427.db2.gz FVRYJZNADLVHLY-AWEZNQCLSA-N 0 1 398.268 2.127 20 30 GEEDMN N#Cc1c(NCc2c(O)cccc2Br)n[nH]c1N1CCOCC1 ZINC000922361993 654386845 /nfs/dbraw/zinc/38/68/45/654386845.db2.gz IBKLHBCPTIVFGA-UHFFFAOYSA-N 0 1 378.230 2.198 20 30 GEEDMN C=CCOc1c(Cl)cc(CNC(C)(C)CNS(C)(=O)=O)cc1OC ZINC000922636601 654405392 /nfs/dbraw/zinc/40/53/92/654405392.db2.gz RWEUSLQRNWKRSV-UHFFFAOYSA-N 0 1 376.906 2.331 20 30 GEEDMN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1cccs1 ZINC000906986168 654496348 /nfs/dbraw/zinc/49/63/48/654496348.db2.gz HTRQHXKAICLAQV-RHSMWYFYSA-N 0 1 376.507 2.376 20 30 GEEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2c2ncc(Br)cn2)CC1 ZINC000928363114 654644684 /nfs/dbraw/zinc/64/46/84/654644684.db2.gz RFHBJZUNJRKQQI-HNNXBMFYSA-N 0 1 377.286 2.248 20 30 GEEDMN C#CCN1CCC(NC(=O)Cc2ccc(I)cc2)CC1 ZINC000928653096 654654297 /nfs/dbraw/zinc/65/42/97/654654297.db2.gz YYLSJQSEEMLUAA-UHFFFAOYSA-N 0 1 382.245 2.048 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000928651235 654654405 /nfs/dbraw/zinc/65/44/05/654654405.db2.gz RJUSCAXTYQUATN-UHFFFAOYSA-N 0 1 381.270 2.294 20 30 GEEDMN C[C@](O)(C[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC000930519625 654712140 /nfs/dbraw/zinc/71/21/40/654712140.db2.gz KONWOMQIIJTCLO-SCZZXKLOSA-N 0 1 386.283 2.326 20 30 GEEDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000912984163 654777656 /nfs/dbraw/zinc/77/76/56/654777656.db2.gz LLUNYDQWFDTECM-UHFFFAOYSA-N 0 1 385.854 2.384 20 30 GEEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932811252 654791554 /nfs/dbraw/zinc/79/15/54/654791554.db2.gz IFJNYHLMLPNAJQ-RDTXWAMCSA-N 0 1 394.313 2.493 20 30 GEEDMN CON1CC[C@@H](N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932942629 654795076 /nfs/dbraw/zinc/79/50/76/654795076.db2.gz ZWJJQHFGFLURJW-GJMOJQLCSA-N 0 1 382.251 2.252 20 30 GEEDMN CN(C)CC#CCNC(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000913518746 654797007 /nfs/dbraw/zinc/79/70/07/654797007.db2.gz ZJHPBLHBRQVYJF-JOCHJYFZSA-N 0 1 385.327 2.018 20 30 GEEDMN CN(C)CC#CCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000913518927 654797043 /nfs/dbraw/zinc/79/70/43/654797043.db2.gz GZLFGUGFANAMRO-UHFFFAOYSA-N 0 1 379.233 2.069 20 30 GEEDMN CN(C)CC#CCNC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000913518747 654797106 /nfs/dbraw/zinc/79/71/06/654797106.db2.gz ZJHPBLHBRQVYJF-QFIPXVFZSA-N 0 1 385.327 2.018 20 30 GEEDMN C=CC[C@@H](CO)CNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914328567 654845437 /nfs/dbraw/zinc/84/54/37/654845437.db2.gz CZRHJKOYVMSBKG-QVQLBTGDSA-N 0 1 386.417 2.052 20 30 GEEDMN C[C@@](C#N)(NC(=O)CN[C@](C)(CO)c1cccc(Br)c1)C1CC1 ZINC000934498585 654851431 /nfs/dbraw/zinc/85/14/31/654851431.db2.gz ANVKXYAUOCJTKJ-DLBZAZTESA-N 0 1 380.286 2.055 20 30 GEEDMN C[C@@](CO)(NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000934498592 654851450 /nfs/dbraw/zinc/85/14/50/654851450.db2.gz ANVKXYAUOCJTKJ-SJORKVTESA-N 0 1 380.286 2.055 20 30 GEEDMN N#Cc1cc(Cl)c(Cl)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739722 720698019 /nfs/dbraw/zinc/69/80/19/720698019.db2.gz PAVBJKNFDVECMT-CHWSQXEVSA-N 0 1 391.262 2.392 20 30 GEEDMN N#Cc1cc(C#N)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164865776 721086046 /nfs/dbraw/zinc/08/60/46/721086046.db2.gz PLAGITLFKMTQLQ-ROUUACIJSA-N 0 1 394.866 2.353 20 30 GEEDMN C=CCNC(=O)CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155164111 531661966 /nfs/dbraw/zinc/66/19/66/531661966.db2.gz DCRZEYYXPNNVCR-UHFFFAOYSA-N 0 1 380.286 2.402 20 30 GEEDMN CN1CCN(c2ccc(CNc3cc(C#N)c(Br)cn3)cn2)CC1 ZINC000603270200 532085791 /nfs/dbraw/zinc/08/57/91/532085791.db2.gz HBNNXQYCLLMXTE-UHFFFAOYSA-N 0 1 387.285 2.475 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCCN2CCc3sccc3C2)c(F)c1 ZINC000124433472 532121892 /nfs/dbraw/zinc/12/18/92/532121892.db2.gz FRQJXYJHVCEAHP-UHFFFAOYSA-N 0 1 383.445 2.235 20 30 GEEDMN C[C@@H](C#N)CNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000178251223 532196968 /nfs/dbraw/zinc/19/69/68/532196968.db2.gz IFLYCHGAQCFXSV-QMMMGPOBSA-N 0 1 381.173 2.022 20 30 GEEDMN C#CCOc1ccc([C@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181640872 532303564 /nfs/dbraw/zinc/30/35/64/532303564.db2.gz ZAADNBOWWFFORI-GOEBONIOSA-N 0 1 379.503 2.246 20 30 GEEDMN C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)ccc1[O-] ZINC000186039448 532339750 /nfs/dbraw/zinc/33/97/50/532339750.db2.gz RIDJYLXARCMMCZ-JRELAMLQSA-N 0 1 380.242 2.332 20 30 GEEDMN C[C@@H](CN1CCCCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000188214188 532347373 /nfs/dbraw/zinc/34/73/73/532347373.db2.gz NQDKQMIDJRDQOW-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN N#Cc1ccc(Br)c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000191773168 532366807 /nfs/dbraw/zinc/36/68/07/532366807.db2.gz UVEMFMSUTVGNAP-HNNXBMFYSA-N 0 1 392.297 2.392 20 30 GEEDMN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427260147 532416813 /nfs/dbraw/zinc/41/68/13/532416813.db2.gz ZZLNQTRDIFMPNP-UHFFFAOYSA-N 0 1 383.426 2.178 20 30 GEEDMN CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc1F ZINC000427247297 532417797 /nfs/dbraw/zinc/41/77/97/532417797.db2.gz ZKOTUKGEYMFEIC-UHFFFAOYSA-N 0 1 386.401 2.182 20 30 GEEDMN C=CCCS(=O)(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC ZINC000431207225 532508039 /nfs/dbraw/zinc/50/80/39/532508039.db2.gz NFEZHXKMYYJNJG-UHFFFAOYSA-N 0 1 376.500 2.090 20 30 GEEDMN CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000246662165 532543577 /nfs/dbraw/zinc/54/35/77/532543577.db2.gz WLEGVGZLJGQSKH-WCBZVUCDSA-N 0 1 376.450 2.195 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc1Br ZINC000375746889 532581612 /nfs/dbraw/zinc/58/16/12/532581612.db2.gz XXBHBCFWYPLCCB-CYBMUJFWSA-N 0 1 384.299 2.180 20 30 GEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000298757520 532672931 /nfs/dbraw/zinc/67/29/31/532672931.db2.gz QJZDIKWWSGMDMJ-CHWSQXEVSA-N 0 1 395.301 2.185 20 30 GEEDMN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000534993961 532675456 /nfs/dbraw/zinc/67/54/56/532675456.db2.gz PGXOKVMBNRMVMY-UHFFFAOYSA-N 0 1 399.881 2.263 20 30 GEEDMN COc1ncc(Br)cc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000600756525 532680889 /nfs/dbraw/zinc/68/08/89/532680889.db2.gz QYAHAQSQRJEKGX-HNNXBMFYSA-N 0 1 392.253 2.254 20 30 GEEDMN CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000439625770 532700029 /nfs/dbraw/zinc/70/00/29/532700029.db2.gz OAPKPPCNHGJZTC-UHFFFAOYSA-N 0 1 379.463 2.194 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000268803125 532771604 /nfs/dbraw/zinc/77/16/04/532771604.db2.gz QUGXPAHQQIWFHY-CYBMUJFWSA-N 0 1 381.255 2.400 20 30 GEEDMN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000549636674 532796309 /nfs/dbraw/zinc/79/63/09/532796309.db2.gz RQVAUJOAFRMOBH-WMLDXEAASA-N 0 1 384.571 2.327 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415571737 532850549 /nfs/dbraw/zinc/85/05/49/532850549.db2.gz UENVTWRGXHQEHE-NEPJUHHUSA-N 0 1 396.285 2.161 20 30 GEEDMN C#C[C@@H](C)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000289349315 532852797 /nfs/dbraw/zinc/85/27/97/532852797.db2.gz IYMXHJPJRDQSRD-GFCCVEGCSA-N 0 1 383.286 2.426 20 30 GEEDMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000289425415 532854716 /nfs/dbraw/zinc/85/47/16/532854716.db2.gz CHYMICXILAWOSP-UHFFFAOYSA-N 0 1 385.917 2.333 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1N1CCCC1 ZINC000274824628 532857487 /nfs/dbraw/zinc/85/74/87/532857487.db2.gz QRIGDVPCZREPTB-CVEARBPZSA-N 0 1 385.942 2.412 20 30 GEEDMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000289652212 532861487 /nfs/dbraw/zinc/86/14/87/532861487.db2.gz TUVOVVWPTFOBDN-UHFFFAOYSA-N 0 1 385.917 2.333 20 30 GEEDMN C=CCCCS(=O)(=O)Nc1ccccc1S(=O)(=O)NCc1ccco1 ZINC000291818080 532908987 /nfs/dbraw/zinc/90/89/87/532908987.db2.gz DNYGNPVCUCDUDC-UHFFFAOYSA-N 0 1 384.479 2.466 20 30 GEEDMN N#C[C@H](C(=O)C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1nc2ccccc2c(=O)[nH]1 ZINC000739074777 599711817 /nfs/dbraw/zinc/71/18/17/599711817.db2.gz LRHMQCCYFIYUHB-IRWJRLHMSA-N 0 1 394.431 2.229 20 30 GEEDMN C[C@@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)N1CC[NH+](C)CC1 ZINC000736218791 599807014 /nfs/dbraw/zinc/80/70/14/599807014.db2.gz SPWVLXXJPXQDEH-KRWDZBQOSA-N 0 1 391.471 2.359 20 30 GEEDMN C[NH+]1CCN(C(=O)Cc2ccc(N[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)CC1 ZINC000737515944 600595496 /nfs/dbraw/zinc/59/54/96/600595496.db2.gz RBJNIEXSWLISMZ-NRFANRHFSA-N 0 1 392.459 2.113 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833064443 601022017 /nfs/dbraw/zinc/02/20/17/601022017.db2.gz JBMRCKNCSKUNBV-KBPBESRZSA-N 0 1 382.445 2.116 20 30 GEEDMN N#Cc1ccc(OCC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000833071732 601730869 /nfs/dbraw/zinc/73/08/69/601730869.db2.gz OFLSUIGHAJXIGH-JOCHJYFZSA-N 0 1 393.443 2.173 20 30 GEEDMN N#CCOc1ccccc1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833067929 601740663 /nfs/dbraw/zinc/74/06/63/601740663.db2.gz KIVFYSVHEDEZBY-JOCHJYFZSA-N 0 1 393.443 2.438 20 30 GEEDMN C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830706021 601900507 /nfs/dbraw/zinc/90/05/07/601900507.db2.gz AACHMVSLTVNHPL-UGSOOPFHSA-N 0 1 394.349 2.473 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000832618317 601922550 /nfs/dbraw/zinc/92/25/50/601922550.db2.gz RNQHGSVQNDCZKZ-GJZGRUSLSA-N 0 1 391.493 2.222 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000832618317 601922554 /nfs/dbraw/zinc/92/25/54/601922554.db2.gz RNQHGSVQNDCZKZ-GJZGRUSLSA-N 0 1 391.493 2.222 20 30 GEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000738854435 601971529 /nfs/dbraw/zinc/97/15/29/601971529.db2.gz YOVXZHIVEVFUEG-UHFFFAOYSA-N 0 1 387.484 2.164 20 30 GEEDMN N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC([C@H]4CCCN4C(=O)[O-])CC3)C2=O)cc1 ZINC000740316427 602282640 /nfs/dbraw/zinc/28/26/40/602282640.db2.gz XFWIFPLGULCBHD-QZTJIDSGSA-N 0 1 396.447 2.045 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739509232 602792786 /nfs/dbraw/zinc/79/27/86/602792786.db2.gz XXJOEIJUNGZSFP-MAUKXSAKSA-N 0 1 388.468 2.310 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739509232 602792787 /nfs/dbraw/zinc/79/27/87/602792787.db2.gz XXJOEIJUNGZSFP-MAUKXSAKSA-N 0 1 388.468 2.310 20 30 GEEDMN N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(CNC(=O)[O-])CCCC3)CC2)cc1 ZINC000831122486 603621643 /nfs/dbraw/zinc/62/16/43/603621643.db2.gz JGHGUKGIWLAVNF-UHFFFAOYSA-N 0 1 384.480 2.421 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(CNC(=O)[O-])CCCC3)CC2)cc1 ZINC000831122486 603621645 /nfs/dbraw/zinc/62/16/45/603621645.db2.gz JGHGUKGIWLAVNF-UHFFFAOYSA-N 0 1 384.480 2.421 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000831141091 603707188 /nfs/dbraw/zinc/70/71/88/603707188.db2.gz CDZVEFJBEWLVCD-AEFFLSMTSA-N 0 1 391.493 2.186 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000831141091 603707189 /nfs/dbraw/zinc/70/71/89/603707189.db2.gz CDZVEFJBEWLVCD-AEFFLSMTSA-N 0 1 391.493 2.186 20 30 GEEDMN C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC[N@@H+]1CCC(=O)[O-] ZINC000833619337 605251202 /nfs/dbraw/zinc/25/12/02/605251202.db2.gz CJCCLASOJWNAGN-OAHLLOKOSA-N 0 1 397.431 2.351 20 30 GEEDMN C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC[N@H+]1CCC(=O)[O-] ZINC000833619337 605251204 /nfs/dbraw/zinc/25/12/04/605251204.db2.gz CJCCLASOJWNAGN-OAHLLOKOSA-N 0 1 397.431 2.351 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC[C@@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971523 605395492 /nfs/dbraw/zinc/39/54/92/605395492.db2.gz IYVFURQZULLSOE-LJQANCHMSA-N 0 1 384.480 2.373 20 30 GEEDMN N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@@H]4CCC[C@H](NC(=O)[O-])[C@H]4C3)C2=O)cc1 ZINC000833974609 605449750 /nfs/dbraw/zinc/44/97/50/605449750.db2.gz UMVVNIQASBHUAA-WNHJNPCNSA-N 0 1 382.464 2.422 20 30 GEEDMN N#Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)ccc1F ZINC000833970371 605514103 /nfs/dbraw/zinc/51/41/03/605514103.db2.gz NBBMFXSYAOMOEW-QAPCUYQASA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c(F)c1 ZINC000833972082 605514909 /nfs/dbraw/zinc/51/49/09/605514909.db2.gz UQTGQHUIASKDKF-YJBOKZPZSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c(F)c1 ZINC000833972081 605515390 /nfs/dbraw/zinc/51/53/90/605515390.db2.gz UQTGQHUIASKDKF-QAPCUYQASA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)s1 ZINC000833971797 605686462 /nfs/dbraw/zinc/68/64/62/605686462.db2.gz NUHHTVZWRLYNMZ-XJKSGUPXSA-N 0 1 376.482 2.090 20 30 GEEDMN C=C(C)COc1cc(C[N@@H+]2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])ccc1OC ZINC000833369273 605727197 /nfs/dbraw/zinc/72/71/97/605727197.db2.gz NWWGHLJUZQYQQK-JKSUJKDBSA-N 0 1 377.437 2.488 20 30 GEEDMN C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])ccc1OC ZINC000833369270 605727269 /nfs/dbraw/zinc/72/72/69/605727269.db2.gz NWWGHLJUZQYQQK-CVEARBPZSA-N 0 1 377.437 2.488 20 30 GEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000833829450 605894934 /nfs/dbraw/zinc/89/49/34/605894934.db2.gz GCIJHMPKGOLOIY-IPYPFGDCSA-N 0 1 379.420 2.202 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1N1CCCC1 ZINC000445709799 649963866 /nfs/dbraw/zinc/96/38/66/649963866.db2.gz OZOKXJQPZTWSFF-CABCVRRESA-N 0 1 385.942 2.412 20 30 GEEDMN C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419794 606299633 /nfs/dbraw/zinc/29/96/33/606299633.db2.gz KKCTXYSDFCTCBS-ABAIWWIYSA-N 0 1 379.449 2.256 20 30 GEEDMN COc1ccc(C(C)N=Nc2oc(C)nc2-c2nn[nH]n2)cc1Cn1cccn1 ZINC000821777921 606623411 /nfs/dbraw/zinc/62/34/11/606623411.db2.gz OYGLBGKTXWTIEF-UHFFFAOYSA-N 0 1 393.411 2.253 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2ccc(Br)cc2O)o1 ZINC000819781693 606766042 /nfs/dbraw/zinc/76/60/42/606766042.db2.gz CVXQVKGXTJYVLC-UHFFFAOYSA-N 0 1 378.190 2.467 20 30 GEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819745482 606888614 /nfs/dbraw/zinc/88/86/14/606888614.db2.gz FYQHXNSGDSJGSA-GOSISDBHSA-N 0 1 380.408 2.497 20 30 GEEDMN C=C(C)[C@@H](CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)OCC ZINC000823872989 607880730 /nfs/dbraw/zinc/88/07/30/607880730.db2.gz GGYJXRJLGFKDOV-LJQANCHMSA-N 0 1 398.511 2.272 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826385877 607998070 /nfs/dbraw/zinc/99/80/70/607998070.db2.gz GCUUHURRHGAZFL-MRXNPFEDSA-N 0 1 375.392 2.051 20 30 GEEDMN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc(C#N)ccc1O ZINC000824207368 607999110 /nfs/dbraw/zinc/99/91/10/607999110.db2.gz VGHVFFOCQJGSAI-KRWDZBQOSA-N 0 1 378.392 2.486 20 30 GEEDMN CN(C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)C1(C#N)CCCCC1 ZINC000825817306 608530766 /nfs/dbraw/zinc/53/07/66/608530766.db2.gz GKOXEXKYLKZUBO-UHFFFAOYSA-N 0 1 379.468 2.130 20 30 GEEDMN CSc1n[nH]c(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 ZINC000448833443 650023025 /nfs/dbraw/zinc/02/30/25/650023025.db2.gz XZVCAFWOGHZRGC-VIFPVBQESA-N 0 1 376.829 2.043 20 30 GEEDMN CCc1nc([C@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)n[nH]1 ZINC000450296163 650063619 /nfs/dbraw/zinc/06/36/19/650063619.db2.gz CTNDEYARDAOCET-VIFPVBQESA-N 0 1 378.230 2.257 20 30 GEEDMN CC(C)[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCN1C ZINC000451161807 650091750 /nfs/dbraw/zinc/09/17/50/650091750.db2.gz JYAFSKIGHYOTLV-OAHLLOKOSA-N 0 1 380.286 2.498 20 30 GEEDMN COCC1(C#N)CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2O)CC1 ZINC000451515456 650122584 /nfs/dbraw/zinc/12/25/84/650122584.db2.gz CPWNYVKXFZFFOV-UHFFFAOYSA-N 0 1 378.372 2.352 20 30 GEEDMN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2ccccc2CC#N)c1 ZINC000475785106 650538144 /nfs/dbraw/zinc/53/81/44/650538144.db2.gz BVRRQDAZYNXWSI-UHFFFAOYSA-N 0 1 379.463 2.233 20 30 GEEDMN C=CCOC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)OC ZINC000481603600 650650678 /nfs/dbraw/zinc/65/06/78/650650678.db2.gz JEFNNGAGOWOMRP-ZDUSSCGKSA-N 0 1 382.265 2.157 20 30 GEEDMN CNC(=O)C(C#N)C(=O)CCCCc1ccc(I)cc1 ZINC000070033547 643047693 /nfs/dbraw/zinc/04/76/93/643047693.db2.gz HPJOVZXVCRMPNZ-ZDUSSCGKSA-N 0 1 384.217 2.459 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCC[S@@](=O)Cc2ccccc2)c(F)c1 ZINC000125281092 643704339 /nfs/dbraw/zinc/70/43/39/643704339.db2.gz URXGGGJSQOXVLC-DEOSSOPVSA-N 0 1 384.429 2.064 20 30 GEEDMN CC[S@@](=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000126030712 643719074 /nfs/dbraw/zinc/71/90/74/643719074.db2.gz WLEGVGZLJGQSKH-BAGVQZLWSA-N 0 1 376.450 2.195 20 30 GEEDMN CC(C)NC(=O)C(C#N)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000130880095 643854109 /nfs/dbraw/zinc/85/41/09/643854109.db2.gz OWUVVXCFHARYLI-LLVKDONJSA-N 0 1 376.463 2.233 20 30 GEEDMN C#CCN1CCC(C(=O)N(CCO)Cc2cc(Br)ccc2F)CC1 ZINC000160288686 644200524 /nfs/dbraw/zinc/20/05/24/644200524.db2.gz KVBLDKUDGYYIBY-UHFFFAOYSA-N 0 1 397.288 2.254 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cn1 ZINC000195439495 645378186 /nfs/dbraw/zinc/37/81/86/645378186.db2.gz UYVFNRBTHSLYHC-UHFFFAOYSA-N 0 1 378.841 2.244 20 30 GEEDMN CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cncc(Cl)c1 ZINC000269957556 646076744 /nfs/dbraw/zinc/07/67/44/646076744.db2.gz IIUGBILGMBGFCW-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN C=CCN1C(=S)N=NC1c1sc(NC(=O)CCc2cnc[nH]2)nc1C ZINC000276655131 646372366 /nfs/dbraw/zinc/37/23/66/646372366.db2.gz SMVQZXYHIFPEQS-UHFFFAOYSA-N 0 1 375.483 2.479 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)c1 ZINC000371134215 647786653 /nfs/dbraw/zinc/78/66/53/647786653.db2.gz QJJIJUSVZSQBIT-NSHDSACASA-N 0 1 396.270 2.007 20 30 GEEDMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)CCN1C ZINC000416410906 648116094 /nfs/dbraw/zinc/11/60/94/648116094.db2.gz YHKYRANFSVVAOZ-SMDDNHRTSA-N 0 1 386.315 2.424 20 30 GEEDMN N#CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436818078 648794720 /nfs/dbraw/zinc/79/47/20/648794720.db2.gz UGZVYDJOXMEXGY-UHFFFAOYSA-N 0 1 379.825 2.490 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)NCCN2CCCCCC2)c1 ZINC000443527639 648880948 /nfs/dbraw/zinc/88/09/48/648880948.db2.gz HSAZDDWTOZCBBH-UHFFFAOYSA-N 0 1 386.315 2.475 20 30 GEEDMN C[C@H](CN1CCCCC1)NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000550829027 651115304 /nfs/dbraw/zinc/11/53/04/651115304.db2.gz QHRCXMXYGILJER-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN CCN(CCNc1ccc(C#N)cc1CS(N)(=O)=O)CCC(F)(F)F ZINC000603359968 651484186 /nfs/dbraw/zinc/48/41/86/651484186.db2.gz SNRKUHTZQRLLGB-UHFFFAOYSA-N 0 1 378.420 2.033 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1Br ZINC000733990895 651732829 /nfs/dbraw/zinc/73/28/29/651732829.db2.gz HXOIDAYOCZUDIY-AWEZNQCLSA-N 0 1 388.269 2.331 20 30 GEEDMN C#C[C@H](CC)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000754682236 652442197 /nfs/dbraw/zinc/44/21/97/652442197.db2.gz CUYVNEVWDWNLEN-SNVBAGLBSA-N 0 1 380.185 2.274 20 30 GEEDMN O=S(=O)(c1ccccc1NN=Cc1nc(Cl)cs1)N1CCOCC1 ZINC000758116398 652530869 /nfs/dbraw/zinc/53/08/69/652530869.db2.gz FCBURKCKKRSAPE-UHFFFAOYSA-N 0 1 386.886 2.263 20 30 GEEDMN CC[C@H](CN1CCCC1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000588118056 652547857 /nfs/dbraw/zinc/54/78/57/652547857.db2.gz ZZNIMGPKZNONFO-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN C=CCCn1cc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)nn1 ZINC000632635886 652570181 /nfs/dbraw/zinc/57/01/81/652570181.db2.gz QZEIUSHQZMPZAW-UHFFFAOYSA-N 0 1 376.360 2.057 20 30 GEEDMN N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccncn1 ZINC000760337753 652604131 /nfs/dbraw/zinc/60/41/31/652604131.db2.gz BDVGMBDIAZSCNW-SMDDNHRTSA-N 0 1 385.221 2.468 20 30 GEEDMN CSCc1noc(CCC(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)n1 ZINC000767685599 652941777 /nfs/dbraw/zinc/94/17/77/652941777.db2.gz VXKSXEPWHWYIAV-SNVBAGLBSA-N 0 1 380.451 2.050 20 30 GEEDMN CSCc1noc(CCC(=O)OCC(=O)C(C#N)c2nc(C)cs2)n1 ZINC000767685599 652941783 /nfs/dbraw/zinc/94/17/83/652941783.db2.gz VXKSXEPWHWYIAV-SNVBAGLBSA-N 0 1 380.451 2.050 20 30 GEEDMN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(N2CCCOCC2)CC1 ZINC000601439647 653095449 /nfs/dbraw/zinc/09/54/49/653095449.db2.gz HTDAAOXLQXCHDR-UHFFFAOYSA-N 0 1 383.901 2.087 20 30 GEEDMN C#C[C@H](NC(=O)c1n[nH]c2ccc(I)cc21)[C@@H]1CCCO1 ZINC000772883037 653170032 /nfs/dbraw/zinc/17/00/32/653170032.db2.gz QVXRATGDVWTBIV-AAEUAGOBSA-N 0 1 395.200 2.078 20 30 GEEDMN C#C[C@@H](NC(=O)c1n[nH]c2ccc(I)cc21)[C@@H]1CCCO1 ZINC000772883043 653170429 /nfs/dbraw/zinc/17/04/29/653170429.db2.gz QVXRATGDVWTBIV-YPMHNXCESA-N 0 1 395.200 2.078 20 30 GEEDMN C=C(Cl)COc1ccc([C@H](C)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000772948418 653173389 /nfs/dbraw/zinc/17/33/89/653173389.db2.gz WOFWBQPOIAMHSF-HNNXBMFYSA-N 0 1 388.917 2.131 20 30 GEEDMN C#C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000773057225 653177753 /nfs/dbraw/zinc/17/77/53/653177753.db2.gz PLKRDAMZWLNDFS-ZYHUDNBSSA-N 0 1 379.221 2.361 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000876802745 653449270 /nfs/dbraw/zinc/44/92/70/653449270.db2.gz RMQHEFRMNUYLIX-SKDRFNHKSA-N 0 1 377.267 2.414 20 30 GEEDMN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000779832469 653611973 /nfs/dbraw/zinc/61/19/73/653611973.db2.gz SDCQPLYLDXUXCB-UHFFFAOYSA-N 0 1 389.206 2.118 20 30 GEEDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000779831015 653612032 /nfs/dbraw/zinc/61/20/32/653612032.db2.gz UOXOIGQRUNAVAV-UHFFFAOYSA-N 0 1 385.854 2.384 20 30 GEEDMN NS(=O)(=O)c1ccccc1N=NCc1ccc(Cl)cc1-n1cncn1 ZINC000814917935 653641118 /nfs/dbraw/zinc/64/11/18/653641118.db2.gz WLIYPJSEAFXBRU-UHFFFAOYSA-N 0 1 376.829 2.014 20 30 GEEDMN Cn1ccnc(N=NCc2ncc(Br)cc2Br)c1=O ZINC000783848749 653685657 /nfs/dbraw/zinc/68/56/57/653685657.db2.gz JYIMIFNBEXYISU-UHFFFAOYSA-N 0 1 387.035 2.146 20 30 GEEDMN CC(=NN[C@H]1CCCS(=O)(=O)C1)c1cc(Br)cc(F)c1O ZINC000863135211 653702924 /nfs/dbraw/zinc/70/29/24/653702924.db2.gz YSHLBYUXFJUSOY-JTQLQIEISA-N 0 1 379.251 2.185 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 ZINC000840951676 653703480 /nfs/dbraw/zinc/70/34/80/653703480.db2.gz FVXZZYYSHBQOIE-UHFFFAOYSA-N 0 1 386.901 2.123 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000841007991 653704960 /nfs/dbraw/zinc/70/49/60/653704960.db2.gz WIADIIVQLGJMOK-HQJQHLMTSA-N 0 1 388.063 2.445 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000841031732 653705472 /nfs/dbraw/zinc/70/54/72/653705472.db2.gz VYZUCKQOPWVYQL-RDDDGLTNSA-N 0 1 390.612 2.178 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000841031733 653705545 /nfs/dbraw/zinc/70/55/45/653705545.db2.gz VYZUCKQOPWVYQL-WRWORJQWSA-N 0 1 390.612 2.178 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000787618877 653741047 /nfs/dbraw/zinc/74/10/47/653741047.db2.gz ZQNFGOIUBVADAC-CYBMUJFWSA-N 0 1 388.331 2.272 20 30 GEEDMN COCCn1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1 ZINC000842288162 653751115 /nfs/dbraw/zinc/75/11/15/653751115.db2.gz FOWMDLAOVDHFJC-LBPRGKRZSA-N 0 1 382.207 2.192 20 30 GEEDMN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)c2nc(Cl)cs2)cc1 ZINC000789405883 653774222 /nfs/dbraw/zinc/77/42/22/653774222.db2.gz OGMHDQMQTLNZSF-NSHDSACASA-N 0 1 376.825 2.459 20 30 GEEDMN C#CCN(C(=O)Cc1ncn[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000865826378 653776614 /nfs/dbraw/zinc/77/66/14/653776614.db2.gz VGGXSTSOEJQPEZ-ZDUSSCGKSA-N 0 1 375.226 2.095 20 30 GEEDMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1CNC[C@H]1C#N ZINC000843459495 653787413 /nfs/dbraw/zinc/78/74/13/653787413.db2.gz FKPRDHLHAZRIOM-DOMZBBRYSA-N 0 1 388.269 2.093 20 30 GEEDMN Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H](O)C(F)(F)C(F)(F)F ZINC000883366277 653837404 /nfs/dbraw/zinc/83/74/04/653837404.db2.gz QCLAKLDWTHMYHU-MRVPVSSYSA-N 0 1 385.255 2.318 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccc(I)cc1 ZINC000793141583 653868076 /nfs/dbraw/zinc/86/80/76/653868076.db2.gz OPMIVCPDXUDPCR-OAHLLOKOSA-N 0 1 383.229 2.475 20 30 GEEDMN C[S@@](=O)(=NS(=O)(=O)NCC1(C#N)CC1)c1cccc(Br)c1 ZINC000867221626 653897512 /nfs/dbraw/zinc/89/75/12/653897512.db2.gz BWHNBBTUVOKPRK-FQEVSTJZSA-N 0 1 392.300 2.044 20 30 GEEDMN CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(F)(F)F ZINC000848456664 653977840 /nfs/dbraw/zinc/97/78/40/653977840.db2.gz ZOQFMLXLYVDPDR-SECBINFHSA-N 0 1 399.416 2.354 20 30 GEEDMN C#CCN1CCC(NC(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000830169455 654103461 /nfs/dbraw/zinc/10/34/61/654103461.db2.gz XRQHHPYRUWZWRS-HNNXBMFYSA-N 0 1 390.281 2.089 20 30 GEEDMN CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000917745788 654133090 /nfs/dbraw/zinc/13/30/90/654133090.db2.gz IIGXINZCEQQYAK-HNNXBMFYSA-N 0 1 383.539 2.025 20 30 GEEDMN C=CCOc1c(Br)cc(C[N@@H+]2CC[C@](O)(C(=O)[O-])C2)cc1OC ZINC000901900793 654154184 /nfs/dbraw/zinc/15/41/84/654154184.db2.gz HDQWJCPDUXVCNU-MRXNPFEDSA-N 0 1 386.242 2.044 20 30 GEEDMN C=CCOc1c(Br)cc(C[N@H+]2CC[C@](O)(C(=O)[O-])C2)cc1OC ZINC000901900793 654154187 /nfs/dbraw/zinc/15/41/87/654154187.db2.gz HDQWJCPDUXVCNU-MRXNPFEDSA-N 0 1 386.242 2.044 20 30 GEEDMN C=CCC1(O)CCN(S(=O)(=O)c2c(O)cccc2OC(F)(F)F)CC1 ZINC000919925084 654195378 /nfs/dbraw/zinc/19/53/78/654195378.db2.gz FISSJGCSFXXDBY-UHFFFAOYSA-N 0 1 381.372 2.383 20 30 GEEDMN O=[N+]([O-])c1cc2c(cc1C=Nn1c(C(F)(F)F)n[nH]c1=S)OCCO2 ZINC000920361035 654211147 /nfs/dbraw/zinc/21/11/47/654211147.db2.gz GTKMTSHXTHMEQZ-UHFFFAOYSA-N 0 1 375.288 2.147 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000922022648 654355882 /nfs/dbraw/zinc/35/58/82/654355882.db2.gz PPSOOMCOFUDBLK-UHFFFAOYSA-N 0 1 396.310 2.039 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1sccc1Br ZINC000922024297 654356338 /nfs/dbraw/zinc/35/63/38/654356338.db2.gz OPSQJSVMLCUPGO-UHFFFAOYSA-N 0 1 377.329 2.229 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000922025424 654356984 /nfs/dbraw/zinc/35/69/84/654356984.db2.gz LEWUEKCSQRCPRP-UHFFFAOYSA-N 0 1 376.400 2.145 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000835069735 654360582 /nfs/dbraw/zinc/36/05/82/654360582.db2.gz DCLOFCGMVLRVTB-CYBMUJFWSA-N 0 1 390.237 2.467 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1Br ZINC000855334183 654413690 /nfs/dbraw/zinc/41/36/90/654413690.db2.gz IIRXKGCCNFEQKP-UHFFFAOYSA-N 0 1 380.271 2.376 20 30 GEEDMN N#Cc1ncn(CCNCc2cc(Br)ccc2Br)n1 ZINC000894420587 654474434 /nfs/dbraw/zinc/47/44/34/654474434.db2.gz TZRYLTQISNTSQC-UHFFFAOYSA-N 0 1 385.063 2.465 20 30 GEEDMN N#Cc1cc(S(=O)(=O)NC2CCN(C3CC3)CC2)ccc1Br ZINC000906818813 654475430 /nfs/dbraw/zinc/47/54/30/654475430.db2.gz OMZWACVAZDWTAA-UHFFFAOYSA-N 0 1 384.299 2.226 20 30 GEEDMN CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907224656 654521436 /nfs/dbraw/zinc/52/14/36/654521436.db2.gz KSNSVBGWWLYWDQ-UHFFFAOYSA-N 0 1 386.315 2.426 20 30 GEEDMN CN1C[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)[C@@H]2C1 ZINC000907253190 654524266 /nfs/dbraw/zinc/52/42/66/654524266.db2.gz OCLSCQSWNZKZBP-XHDPSFHLSA-N 0 1 384.299 2.035 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2C[C@@H](O)CN2C)s1 ZINC000924978559 654530207 /nfs/dbraw/zinc/53/02/07/654530207.db2.gz WZFUVZCHJWZURB-VXGBXAGGSA-N 0 1 375.947 2.020 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000928650988 654654327 /nfs/dbraw/zinc/65/43/27/654654327.db2.gz JKHGIKQLINOLKV-UHFFFAOYSA-N 0 1 379.254 2.063 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000928657524 654654767 /nfs/dbraw/zinc/65/47/67/654654767.db2.gz MENSUXDPKQEPLR-UHFFFAOYSA-N 0 1 387.281 2.462 20 30 GEEDMN C[C@@H](C(=O)NC1(C#N)CCN(C)CC1)c1ccc(I)cc1 ZINC000932177912 654769110 /nfs/dbraw/zinc/76/91/10/654769110.db2.gz GEUSXBHMODHPHL-GFCCVEGCSA-N 0 1 397.260 2.499 20 30 GEEDMN CON1CC[C@H](N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932942627 654795015 /nfs/dbraw/zinc/79/50/15/654795015.db2.gz ZWJJQHFGFLURJW-FXQIFTODSA-N 0 1 382.251 2.252 20 30 GEEDMN Cn1cc(CCN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 ZINC000932945370 654795504 /nfs/dbraw/zinc/79/55/04/654795504.db2.gz WFDDRZCEJYJCEB-IUCAKERBSA-N 0 1 378.267 2.460 20 30 GEEDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2 ZINC001164684152 719702085 /nfs/dbraw/zinc/70/20/85/719702085.db2.gz NICQSWFZQWABPA-UHFFFAOYSA-N 0 1 397.857 2.332 20 30 GEEDMN C=CCN1C(=O)CC[C@]12CCCN(c1ccc(N3CCN(C)CC3)nn1)[C@H]2CC ZINC001164699222 719820874 /nfs/dbraw/zinc/82/08/74/719820874.db2.gz GXZSZYKNUOHNPI-AVRDEDQJSA-N 0 1 398.555 2.154 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(Cl)c(C#N)n4)C3)O2)CC1 ZINC001164893548 721387236 /nfs/dbraw/zinc/38/72/36/721387236.db2.gz VBPCMDZKSSZIAC-OXQOHEQNSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc(Cl)c4C#N)C3)O2)CC1 ZINC001164890936 721395674 /nfs/dbraw/zinc/39/56/74/721395674.db2.gz PKOZYZLWEFGKJU-JXFKEZNVSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(Cc2cn3c(n2)CN(c2cc(C#N)c4ccccc4n2)CC3)CC1 ZINC001164796847 721518488 /nfs/dbraw/zinc/51/84/88/721518488.db2.gz DQNHNTRVHGZHNS-UHFFFAOYSA-N 0 1 387.491 2.071 20 30 GEEDMN N#Cc1ncc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982832 722106066 /nfs/dbraw/zinc/10/60/66/722106066.db2.gz PHIPQZADAAKYHI-DOTOQJQBSA-N 0 1 384.871 2.124 20 30 GEEDMN COc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(F)cc1C#N ZINC001164983343 722137622 /nfs/dbraw/zinc/13/76/22/722137622.db2.gz UMWWNOOTBDLDMA-APWZRJJASA-N 0 1 397.454 2.223 20 30 GEEDMN C[C@@H]1SCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@H]1C ZINC000182790030 532317558 /nfs/dbraw/zinc/31/75/58/532317558.db2.gz JMQWOQWPOQRGMD-JYJNAYRXSA-N 0 1 378.567 2.283 20 30 GEEDMN C=CC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000185009859 532336649 /nfs/dbraw/zinc/33/66/49/532336649.db2.gz BYQHCSWUIGUJOW-UHFFFAOYSA-N 0 1 376.837 2.106 20 30 GEEDMN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000516812327 532393234 /nfs/dbraw/zinc/39/32/34/532393234.db2.gz LEAMHIUUHMPLTM-UHFFFAOYSA-N 0 1 392.294 2.470 20 30 GEEDMN CCCN(C(=O)C(=O)Nc1cccc(C#N)c1Br)[C@@H]1CCN(C)C1 ZINC000592300008 532446323 /nfs/dbraw/zinc/44/63/23/532446323.db2.gz GKLZBCBTAOXERX-CYBMUJFWSA-N 0 1 393.285 2.202 20 30 GEEDMN C[C@H]1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[N@H+]1C ZINC000592767272 532461965 /nfs/dbraw/zinc/46/19/65/532461965.db2.gz SGXSAXXQADWEDG-BLLLJJGKSA-N 0 1 391.313 2.356 20 30 GEEDMN CN(CCN1CCCCC1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000593666803 532494818 /nfs/dbraw/zinc/49/48/18/532494818.db2.gz SQKVZGUFIJUPLA-UHFFFAOYSA-N 0 1 386.315 2.427 20 30 GEEDMN N#Cc1ccnc(N2CCN(C(=O)c3cccc(Br)c3O)CC2)c1 ZINC000521246990 532509724 /nfs/dbraw/zinc/50/97/24/532509724.db2.gz VWTUTYDKBHXEPJ-UHFFFAOYSA-N 0 1 387.237 2.384 20 30 GEEDMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000283077932 532518100 /nfs/dbraw/zinc/51/81/00/532518100.db2.gz NTYIXVXDTBHKAU-KBPBESRZSA-N 0 1 380.235 2.145 20 30 GEEDMN CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000594799216 532531966 /nfs/dbraw/zinc/53/19/66/532531966.db2.gz JMPRVXNVUOJINN-NSHDSACASA-N 0 1 386.315 2.472 20 30 GEEDMN C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000376573128 532618548 /nfs/dbraw/zinc/61/85/48/532618548.db2.gz GCOBTEDTNXVKDC-UKPHBRMFSA-N 0 1 384.933 2.259 20 30 GEEDMN C#CCN1CCC(C(=O)N(C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000298153726 532628985 /nfs/dbraw/zinc/62/89/85/532628985.db2.gz BSWUUZTYFAOUIQ-QGZVFWFLSA-N 0 1 379.298 2.286 20 30 GEEDMN C#CCN1CCC(C(=O)N(C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000298153719 532629444 /nfs/dbraw/zinc/62/94/44/532629444.db2.gz BSWUUZTYFAOUIQ-KRWDZBQOSA-N 0 1 379.298 2.286 20 30 GEEDMN Cc1c(I)cccc1C(=O)NC1(C#N)CCN(C)CC1 ZINC000531852384 532638237 /nfs/dbraw/zinc/63/82/37/532638237.db2.gz AKPURHSDPZBNQJ-UHFFFAOYSA-N 0 1 383.233 2.317 20 30 GEEDMN N#Cc1ccc(CS(=O)(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000298402033 532648151 /nfs/dbraw/zinc/64/81/51/532648151.db2.gz KAILYJOHOSPQMF-UHFFFAOYSA-N 0 1 379.551 2.339 20 30 GEEDMN C=CCN1CC[C@@H](N(C)CCC(=O)Nc2ccc(Br)cc2)C1=O ZINC000499989927 532729708 /nfs/dbraw/zinc/72/97/08/532729708.db2.gz VGSONNLEQIFAAP-OAHLLOKOSA-N 0 1 380.286 2.496 20 30 GEEDMN C=CCN1CC[C@@H](N(C)CCC(=O)Nc2cccc(Br)c2)C1=O ZINC000499938423 532730002 /nfs/dbraw/zinc/73/00/02/532730002.db2.gz JUQDKABLHZNNAR-OAHLLOKOSA-N 0 1 380.286 2.496 20 30 GEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000462075765 532800598 /nfs/dbraw/zinc/80/05/98/532800598.db2.gz SVRKUIBFTJYEMZ-LBPRGKRZSA-N 0 1 391.902 2.168 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000288198951 532820871 /nfs/dbraw/zinc/82/08/71/532820871.db2.gz QBUMWPGHWCQZOP-GFCCVEGCSA-N 0 1 381.255 2.400 20 30 GEEDMN C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331430355 532839360 /nfs/dbraw/zinc/83/93/60/532839360.db2.gz CAZRYNCMKPBEOZ-BONVTDFDSA-N 0 1 384.299 2.082 20 30 GEEDMN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1Br ZINC000288864839 532840465 /nfs/dbraw/zinc/84/04/65/532840465.db2.gz QOMDRKBETQZBHA-CYBMUJFWSA-N 0 1 388.225 2.176 20 30 GEEDMN Cc1nc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000293299272 532924855 /nfs/dbraw/zinc/92/48/55/532924855.db2.gz UXBRJXDMEQMKCR-OAHLLOKOSA-N 0 1 375.274 2.258 20 30 GEEDMN N#Cc1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c(F)c1 ZINC000737717239 598745459 /nfs/dbraw/zinc/74/54/59/598745459.db2.gz BJGDCRQGNLGRRP-UHFFFAOYSA-N 0 1 380.387 2.069 20 30 GEEDMN Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[nH]n2)ccc1-n1cncn1 ZINC000822198762 599337400 /nfs/dbraw/zinc/33/74/00/599337400.db2.gz JKTJHKACWCYLMZ-UHFFFAOYSA-N 0 1 378.400 2.313 20 30 GEEDMN O=C1N/C(=N/C2CCCC2)SC1=Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000738315259 599462376 /nfs/dbraw/zinc/46/23/76/599462376.db2.gz HAFQMYYFUPSFTI-NTUHNPAUSA-N 0 1 380.437 2.017 20 30 GEEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000739106742 600567157 /nfs/dbraw/zinc/56/71/57/600567157.db2.gz TYDSZOAPDHXIER-LJQANCHMSA-N 0 1 399.472 2.081 20 30 GEEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000739106742 600567159 /nfs/dbraw/zinc/56/71/59/600567159.db2.gz TYDSZOAPDHXIER-LJQANCHMSA-N 0 1 399.472 2.081 20 30 GEEDMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1C[C@@H](O)c1ccccc1 ZINC000736808029 600568244 /nfs/dbraw/zinc/56/82/44/600568244.db2.gz NDYHXMGAGMMBJG-HBGVWJBISA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736808029 600568247 /nfs/dbraw/zinc/56/82/47/600568247.db2.gz NDYHXMGAGMMBJG-HBGVWJBISA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736808029 600568250 /nfs/dbraw/zinc/56/82/50/600568250.db2.gz NDYHXMGAGMMBJG-HBGVWJBISA-N 0 1 379.460 2.424 20 30 GEEDMN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000826159265 607490796 /nfs/dbraw/zinc/49/07/96/607490796.db2.gz ZNQQAWFOAFUDED-UHFFFAOYSA-N 0 1 378.436 2.396 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1C#N ZINC000832849410 601926296 /nfs/dbraw/zinc/92/62/96/601926296.db2.gz GHJBNXBOWXZTGQ-FQEVSTJZSA-N 0 1 384.436 2.353 20 30 GEEDMN C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[C@@H]1NC(=O)[O-] ZINC000739179030 602775840 /nfs/dbraw/zinc/77/58/40/602775840.db2.gz KZWMKVHTQXAHRA-YUELXQCFSA-N 0 1 379.420 2.202 20 30 GEEDMN N#Cc1ccc(-c2nnc(C[NH+]3CCC(OCCCNC(=O)[O-])CC3)o2)cc1 ZINC000831118382 604108468 /nfs/dbraw/zinc/10/84/68/604108468.db2.gz XCRZHZMYXCLCGH-UHFFFAOYSA-N 0 1 385.424 2.247 20 30 GEEDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000827016382 604513465 /nfs/dbraw/zinc/51/34/65/604513465.db2.gz OFHGFSYACQYPRR-CQSZACIVSA-N 0 1 379.482 2.247 20 30 GEEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000833628171 605199074 /nfs/dbraw/zinc/19/90/74/605199074.db2.gz CKKXSBNIXBSUPU-MRXNPFEDSA-N 0 1 382.464 2.218 20 30 GEEDMN N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833972957 605521391 /nfs/dbraw/zinc/52/13/91/605521391.db2.gz FLSZXNZWISVONH-MAUKXSAKSA-N 0 1 388.443 2.168 20 30 GEEDMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccc(F)cc1OCC#N ZINC000822223705 607155430 /nfs/dbraw/zinc/15/54/30/607155430.db2.gz GYNSDVWEZFRDOH-UHFFFAOYSA-N 0 1 388.384 2.017 20 30 GEEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NCc2cn(-c3ccccc3)nn2)o1 ZINC000824280327 607886614 /nfs/dbraw/zinc/88/66/14/607886614.db2.gz KAWVWEUFQWVQDN-UHFFFAOYSA-N 0 1 378.400 2.080 20 30 GEEDMN Cc1c(C=NO[C@H]2CCCCO2)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1 ZINC000826235046 607890395 /nfs/dbraw/zinc/89/03/95/607890395.db2.gz AJOXDOHADIJFER-HNNXBMFYSA-N 0 1 393.407 2.146 20 30 GEEDMN Cc1nc(SCC(=O)Nc2cc(C#N)ccc2O)c(-c2nn[nH]n2)c(C)c1C ZINC000826327462 607997491 /nfs/dbraw/zinc/99/74/91/607997491.db2.gz IPNBTBLLSVLMBA-UHFFFAOYSA-N 0 1 395.448 2.495 20 30 GEEDMN N#Cc1ccc(OCC(=O)N2CCN(CC3CC3)CC2)cc1Br ZINC000449794485 650050541 /nfs/dbraw/zinc/05/05/41/650050541.db2.gz IATMZPHWGTTWMJ-UHFFFAOYSA-N 0 1 378.270 2.254 20 30 GEEDMN N#Cc1ccc(OCC(=O)N2CCN3CCCC[C@H]3C2)cc1Br ZINC000449804828 650051202 /nfs/dbraw/zinc/05/12/02/650051202.db2.gz TWVCKXGWIHQJDA-AWEZNQCLSA-N 0 1 378.270 2.396 20 30 GEEDMN CC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1C[C@H](C)O ZINC000450028637 650058623 /nfs/dbraw/zinc/05/86/23/650058623.db2.gz RSQCYJMZVICDDU-GXTWGEPZSA-N 0 1 380.286 2.238 20 30 GEEDMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000452109582 650174315 /nfs/dbraw/zinc/17/43/15/650174315.db2.gz YJTHTLDDIGFHMG-CYBMUJFWSA-N 0 1 386.315 2.424 20 30 GEEDMN C=CCC[C@H](CO)NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000456763867 650361584 /nfs/dbraw/zinc/36/15/84/650361584.db2.gz DNPULFIGMVVOHZ-SNVBAGLBSA-N 0 1 385.205 2.224 20 30 GEEDMN COCC[C@@](C)(C#N)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000508070824 650473467 /nfs/dbraw/zinc/47/34/67/650473467.db2.gz YCORADLTPFLWTN-LBPRGKRZSA-N 0 1 383.214 2.324 20 30 GEEDMN C=CCOCC(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1 ZINC000475748445 650537082 /nfs/dbraw/zinc/53/70/82/650537082.db2.gz HVDZXKXBFXMJPP-UHFFFAOYSA-N 0 1 382.302 2.338 20 30 GEEDMN N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000517018906 650601696 /nfs/dbraw/zinc/60/16/96/650601696.db2.gz WIEXQKSVBWMNAW-CQSZACIVSA-N 0 1 384.299 2.180 20 30 GEEDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)ccc1C ZINC000479509647 650605360 /nfs/dbraw/zinc/60/53/60/650605360.db2.gz BPUCDISCGMXHCW-UHFFFAOYSA-N 0 1 399.881 2.229 20 30 GEEDMN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1 ZINC000010514852 642360976 /nfs/dbraw/zinc/36/09/76/642360976.db2.gz ZEGCKYAFKHUOKI-UHFFFAOYSA-N 0 1 399.881 2.263 20 30 GEEDMN C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000055621240 642775411 /nfs/dbraw/zinc/77/54/11/642775411.db2.gz YTDCDLUDXZNDEJ-UHFFFAOYSA-N 0 1 384.454 2.433 20 30 GEEDMN CCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000063496961 642859436 /nfs/dbraw/zinc/85/94/36/642859436.db2.gz PQYUBAURHRBAFS-HNNXBMFYSA-N 0 1 383.901 2.439 20 30 GEEDMN CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000065975229 642893857 /nfs/dbraw/zinc/89/38/57/642893857.db2.gz MGVYLWXPRFXOJI-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CC2(Cl)Cl)cc1OC ZINC000105263364 643202161 /nfs/dbraw/zinc/20/21/61/643202161.db2.gz SDFZPPCSKPLQKN-NEPJUHHUSA-N 0 1 385.247 2.265 20 30 GEEDMN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(C)(C)S(C)(=O)=O ZINC000123723392 643676154 /nfs/dbraw/zinc/67/61/54/643676154.db2.gz NCKNXCYAMZLINH-UHFFFAOYSA-N 0 1 383.539 2.192 20 30 GEEDMN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000128296838 643797851 /nfs/dbraw/zinc/79/78/51/643797851.db2.gz QNKXPBZSHJUGHM-MRXNPFEDSA-N 0 1 388.269 2.124 20 30 GEEDMN C=CCNC(=O)CNCc1cc(Br)cc(Br)c1N ZINC000185880258 645056123 /nfs/dbraw/zinc/05/61/23/645056123.db2.gz HVBAPNLQDLPKKT-UHFFFAOYSA-N 0 1 377.080 2.186 20 30 GEEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1 ZINC000187036157 645079963 /nfs/dbraw/zinc/07/99/63/645079963.db2.gz NTQDOOTVNVOANU-UHFFFAOYSA-N 0 1 376.825 2.454 20 30 GEEDMN N#Cc1cc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)ccn1 ZINC000193081518 645238766 /nfs/dbraw/zinc/23/87/66/645238766.db2.gz IRVBGRZUHSEVSM-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN N#Cc1cc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)ccn1 ZINC000193081518 645238770 /nfs/dbraw/zinc/23/87/70/645238770.db2.gz IRVBGRZUHSEVSM-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CCN1C ZINC000278877026 646560238 /nfs/dbraw/zinc/56/02/38/646560238.db2.gz SHEJFXCQLFROCG-WCQYABFASA-N 0 1 386.315 2.424 20 30 GEEDMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416516878 648156101 /nfs/dbraw/zinc/15/61/01/648156101.db2.gz AQMDMQXTBLSIRQ-AWEZNQCLSA-N 0 1 386.315 2.426 20 30 GEEDMN C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1csc(-c2ccccc2F)n1 ZINC000551231506 651121166 /nfs/dbraw/zinc/12/11/66/651121166.db2.gz FCPYOZCIXPDPQN-UHFFFAOYSA-N 0 1 380.426 2.406 20 30 GEEDMN CCN1CCCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000557823092 651273947 /nfs/dbraw/zinc/27/39/47/651273947.db2.gz SOQARZGTYXQQPY-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN Cc1ccc2c(c1)C(=NNc1ncnc3c1c(Br)nn3C)C(=O)N2 ZINC000726740822 651500988 /nfs/dbraw/zinc/50/09/88/651500988.db2.gz DUWPNUCQZGOSCT-UHFFFAOYSA-N 0 1 386.213 2.203 20 30 GEEDMN CS(=O)(=O)N1CCCC[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420141 651600794 /nfs/dbraw/zinc/60/07/94/651600794.db2.gz ABIIWBWERKLGLG-YPMHNXCESA-N 0 1 381.454 2.426 20 30 GEEDMN N#Cc1cc(S(=O)(=O)NC2CCN(C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000734244925 651740300 /nfs/dbraw/zinc/74/03/00/651740300.db2.gz ZGEHBLUDPDPKDU-HNNXBMFYSA-N 0 1 383.901 2.133 20 30 GEEDMN CCc1nn(C)c(Cl)c1C=NNc1ccc(S(=O)(=O)NC(C)C)cn1 ZINC000734746938 651753127 /nfs/dbraw/zinc/75/31/27/651753127.db2.gz ZCWVXKHHVYVGBQ-UHFFFAOYSA-N 0 1 384.893 2.164 20 30 GEEDMN CC[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000618998172 652041679 /nfs/dbraw/zinc/04/16/79/652041679.db2.gz IMGIXWNMNIRXEF-ZDUSSCGKSA-N 0 1 386.315 2.473 20 30 GEEDMN C#CCN1CCN(C(=O)CNC2(c3cccc(Br)c3)CCC2)CC1 ZINC000746502459 652111395 /nfs/dbraw/zinc/11/13/95/652111395.db2.gz PQTVUIGYCPFGHB-UHFFFAOYSA-N 0 1 390.325 2.195 20 30 GEEDMN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000576600151 652131077 /nfs/dbraw/zinc/13/10/77/652131077.db2.gz TWQCLNPFLIYDNL-OLZOCXBDSA-N 0 1 392.257 2.377 20 30 GEEDMN C=C[C@@H]1OCC[C@H]1NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000576600151 652131094 /nfs/dbraw/zinc/13/10/94/652131094.db2.gz TWQCLNPFLIYDNL-OLZOCXBDSA-N 0 1 392.257 2.377 20 30 GEEDMN COc1cccc([C@H](C#N)NC(=O)CSc2n[nH]c(=S)s2)c1OC ZINC000747379049 652160194 /nfs/dbraw/zinc/16/01/94/652160194.db2.gz BDYATQTZLWLQFV-VIFPVBQESA-N 0 1 382.492 2.317 20 30 GEEDMN CN(CC(=O)Nc1cc(C#N)ccc1O)C(=O)c1ccc(Br)o1 ZINC000748410591 652201984 /nfs/dbraw/zinc/20/19/84/652201984.db2.gz BDNQLXQCPHCHTE-UHFFFAOYSA-N 0 1 378.182 2.330 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000748672360 652211123 /nfs/dbraw/zinc/21/11/23/652211123.db2.gz SRLMLBCAXRQPFE-UHFFFAOYSA-N 0 1 376.400 2.351 20 30 GEEDMN COC(=O)c1cc(C#N)c(=O)n(Cc2nc3ccc(Br)cc3[nH]2)c1 ZINC000581183837 652405591 /nfs/dbraw/zinc/40/55/91/652405591.db2.gz UNHXIPFWXLNLQL-UHFFFAOYSA-N 0 1 387.193 2.194 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000581226534 652406925 /nfs/dbraw/zinc/40/69/25/652406925.db2.gz ALDHDXCAXMYLPU-UHFFFAOYSA-N 0 1 378.270 2.492 20 30 GEEDMN CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cccc(CC#N)c2)c(F)c1 ZINC000755149248 652458892 /nfs/dbraw/zinc/45/88/92/652458892.db2.gz ORJRRGOUGXWJLJ-UHFFFAOYSA-N 0 1 384.410 2.031 20 30 GEEDMN O=S(=O)(NC1CC1)c1ccc(NN=Cc2ccc(Br)nc2)nc1 ZINC000756882409 652508135 /nfs/dbraw/zinc/50/81/35/652508135.db2.gz WPQDJNBOYHPXOV-UHFFFAOYSA-N 0 1 396.270 2.126 20 30 GEEDMN N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000589278351 652564424 /nfs/dbraw/zinc/56/44/24/652564424.db2.gz AGNJNDPYGFZJOX-AWEZNQCLSA-N 0 1 376.507 2.205 20 30 GEEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(Br)nn2C)n1 ZINC000759451729 652574320 /nfs/dbraw/zinc/57/43/20/652574320.db2.gz CEBGIBCFFHFRAD-SSDOTTSWSA-N 0 1 383.227 2.306 20 30 GEEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Br)nn2C)n1 ZINC000759451729 652574325 /nfs/dbraw/zinc/57/43/25/652574325.db2.gz CEBGIBCFFHFRAD-SSDOTTSWSA-N 0 1 383.227 2.306 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000759714303 652584539 /nfs/dbraw/zinc/58/45/39/652584539.db2.gz YZLGKFXFTPRVEP-ZDUSSCGKSA-N 0 1 377.447 2.117 20 30 GEEDMN CC(C)(C#N)C[C@@H](O)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000598614876 652824261 /nfs/dbraw/zinc/82/42/61/652824261.db2.gz GJJHWMSOWPVRPW-LLVKDONJSA-N 0 1 377.436 2.370 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)N1CCC(N2CCOCC2)CC1 ZINC000600106775 652904102 /nfs/dbraw/zinc/90/41/02/652904102.db2.gz HZXYUMUXEPZBHV-UHFFFAOYSA-N 0 1 392.297 2.186 20 30 GEEDMN COCc1nc(CNc2c(C#N)cnc3c(Br)ccc(C)c32)n[nH]1 ZINC000601194714 653082874 /nfs/dbraw/zinc/08/28/74/653082874.db2.gz PSDNRYRMCGTQNN-UHFFFAOYSA-N 0 1 387.241 2.476 20 30 GEEDMN COCc1nnc(CNc2c(C#N)cnc3c(Br)ccc(C)c32)[nH]1 ZINC000601194714 653082877 /nfs/dbraw/zinc/08/28/77/653082877.db2.gz PSDNRYRMCGTQNN-UHFFFAOYSA-N 0 1 387.241 2.476 20 30 GEEDMN C=CCN(CC(=O)OCC)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000768109603 653101434 /nfs/dbraw/zinc/10/14/34/653101434.db2.gz NEBISTROQFSAGZ-UHFFFAOYSA-N 0 1 393.237 2.482 20 30 GEEDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000775257497 653307001 /nfs/dbraw/zinc/30/70/01/653307001.db2.gz OFOJSMLKIOJDIB-UHFFFAOYSA-N 0 1 385.854 2.384 20 30 GEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCc1ncc(Br)s1 ZINC000877267174 653474057 /nfs/dbraw/zinc/47/40/57/653474057.db2.gz ZGBGFSNRWNHXMJ-AWEZNQCLSA-N 0 1 377.267 2.280 20 30 GEEDMN CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2cc(C#N)cnc2Cl)CC1 ZINC000877535909 653611299 /nfs/dbraw/zinc/61/12/99/653611299.db2.gz UIWHMVCOKPVZKB-CYBMUJFWSA-N 0 1 384.933 2.489 20 30 GEEDMN COc1cccc(N=NCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)n1 ZINC000779819299 653611561 /nfs/dbraw/zinc/61/15/61/653611561.db2.gz MLBKURYCZUYNMS-LLVKDONJSA-N 0 1 383.861 2.054 20 30 GEEDMN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H]2C[C@]2(C)Br)cc1 ZINC000860477643 653627943 /nfs/dbraw/zinc/62/79/43/653627943.db2.gz SMPJDEBXUNDRMM-KEYYUXOJSA-N 0 1 379.254 2.236 20 30 GEEDMN COCc1nc(Cl)cc(NN=Cc2ccc(Cl)c(S(N)(=O)=O)c2)n1 ZINC000814976411 653641613 /nfs/dbraw/zinc/64/16/13/653641613.db2.gz SWWDGPPCANIOFV-UHFFFAOYSA-N 0 1 390.252 2.023 20 30 GEEDMN COCC(COC)N[NH+]=C(C)c1c[n-]c2ccc(Br)cc2c1=O ZINC000863194088 653703327 /nfs/dbraw/zinc/70/33/27/653703327.db2.gz CFEVWLOVJANJAG-UHFFFAOYSA-N 0 1 382.258 2.266 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000840952186 653703409 /nfs/dbraw/zinc/70/34/09/653703409.db2.gz VGUAQLWAOYWPDH-UHFFFAOYSA-N 0 1 385.327 2.356 20 30 GEEDMN CCOCCOc1ccc(Br)cc1NC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000841176675 653709087 /nfs/dbraw/zinc/70/90/87/653709087.db2.gz MPUZNQNZVVRDME-FZMZJTMJSA-N 0 1 397.273 2.097 20 30 GEEDMN COc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cnc1Br ZINC000788351410 653754741 /nfs/dbraw/zinc/75/47/41/653754741.db2.gz YRDHYGKGOCKFAH-JTQLQIEISA-N 0 1 375.182 2.209 20 30 GEEDMN CCOC(=O)CON=C(C(=O)Nc1cccc(Br)c1)c1ccn[nH]1 ZINC000789940331 653783290 /nfs/dbraw/zinc/78/32/90/653783290.db2.gz WREUMACKVHVFHE-UHFFFAOYSA-N 0 1 395.213 2.095 20 30 GEEDMN Brc1n[nH]c(Br)c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000793033482 653863183 /nfs/dbraw/zinc/86/31/83/653863183.db2.gz BSUKZLNDWUELQH-HTQZYQBOSA-N 0 1 390.083 2.129 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccc(I)cc1 ZINC000793141582 653868096 /nfs/dbraw/zinc/86/80/96/653868096.db2.gz OPMIVCPDXUDPCR-HNNXBMFYSA-N 0 1 383.229 2.475 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c(=O)c1C#N ZINC000848376188 653973254 /nfs/dbraw/zinc/97/32/54/653973254.db2.gz MUDOUXKFTXOUFT-GBIKHYSHSA-N 0 1 395.301 2.431 20 30 GEEDMN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000848400058 653974378 /nfs/dbraw/zinc/97/43/78/653974378.db2.gz BGDAKDOEYOAJIA-ZDUSSCGKSA-N 0 1 387.889 2.113 20 30 GEEDMN COCCCNC(=O)C(C#N)C(=O)Cc1sc(SC(F)F)nc1C ZINC000796631278 654002959 /nfs/dbraw/zinc/00/29/59/654002959.db2.gz OENXUKGPQSSODH-SECBINFHSA-N 0 1 377.438 2.170 20 30 GEEDMN C#CC[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)C(=O)OC ZINC000827684298 654003751 /nfs/dbraw/zinc/00/37/51/654003751.db2.gz QBGIOYBISHSSLE-GFCCVEGCSA-N 0 1 394.674 2.087 20 30 GEEDMN C[C@H](C(=O)C(C#N)c1nc2ccccc2s1)S(=O)(=O)C1CCOCC1 ZINC000796752849 654007144 /nfs/dbraw/zinc/00/71/44/654007144.db2.gz KEHVASVLKBROSO-DGCLKSJQSA-N 0 1 378.475 2.455 20 30 GEEDMN CC(=O)c1cc(Br)ccc1OCC(=O)C(C#N)C(=O)NC(C)C ZINC000796792155 654008347 /nfs/dbraw/zinc/00/83/47/654008347.db2.gz IVXFXWCYHPFMMM-ZDUSSCGKSA-N 0 1 381.226 2.264 20 30 GEEDMN COC(=O)c1cc(Br)c(S(=O)(=O)NCC2(CC#N)CC2)s1 ZINC000797458516 654033623 /nfs/dbraw/zinc/03/36/23/654033623.db2.gz NAIUDQGYMUZFBL-UHFFFAOYSA-N 0 1 393.284 2.269 20 30 GEEDMN C=CCn1c([C@@H]2CN3CCC[C@@H]3CO2)nnc1N1CCC=C(Br)C1 ZINC000828431589 654035831 /nfs/dbraw/zinc/03/58/31/654035831.db2.gz RWONECBTOSGANJ-CABCVRRESA-N 0 1 394.317 2.489 20 30 GEEDMN C#CCN1CCC(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000830163055 654102771 /nfs/dbraw/zinc/10/27/71/654102771.db2.gz UEPCWEGQCYUZOS-AWEZNQCLSA-N 0 1 390.281 2.089 20 30 GEEDMN N#CC(C(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916928067 654111230 /nfs/dbraw/zinc/11/12/30/654111230.db2.gz GRCIVJRBCYIDQK-KOLCDFICSA-N 0 1 389.260 2.466 20 30 GEEDMN C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](O)(C(=O)[O-])C2)cc1OC ZINC000901900792 654154419 /nfs/dbraw/zinc/15/44/19/654154419.db2.gz HDQWJCPDUXVCNU-INIZCTEOSA-N 0 1 386.242 2.044 20 30 GEEDMN C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](O)(C(=O)[O-])C2)cc1OC ZINC000901900792 654154427 /nfs/dbraw/zinc/15/44/27/654154427.db2.gz HDQWJCPDUXVCNU-INIZCTEOSA-N 0 1 386.242 2.044 20 30 GEEDMN N#Cc1nc(NC(=O)N[C@H]2CCCN3CCSC[C@H]23)ccc1Br ZINC000902904463 654202725 /nfs/dbraw/zinc/20/27/25/654202725.db2.gz KQPUYIOQXXDPTA-WCQYABFASA-N 0 1 396.314 2.417 20 30 GEEDMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000834505674 654330915 /nfs/dbraw/zinc/33/09/15/654330915.db2.gz MQOWDSKMCQAIIS-TZMCWYRMSA-N 0 1 378.263 2.388 20 30 GEEDMN CO[C@]1(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)CCS(=O)(=O)C1 ZINC000892538146 654350315 /nfs/dbraw/zinc/35/03/15/654350315.db2.gz ISXKWPGYOPNTOR-ZUZCIYMTSA-N 0 1 384.866 2.330 20 30 GEEDMN C#CCN1CCC(NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000922360768 654386677 /nfs/dbraw/zinc/38/66/77/654386677.db2.gz NFAARCIDNBLOIW-HNNXBMFYSA-N 0 1 396.260 2.419 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2C[C@H](O)CN2C)s1 ZINC000924978556 654530145 /nfs/dbraw/zinc/53/01/45/654530145.db2.gz WZFUVZCHJWZURB-NEPJUHHUSA-N 0 1 375.947 2.020 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219510 654563642 /nfs/dbraw/zinc/56/36/42/654563642.db2.gz POIOKUYOWSGWMG-HQJQHLMTSA-N 0 1 390.612 2.178 20 30 GEEDMN CN1CCC2(CCN2S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000907855957 654583829 /nfs/dbraw/zinc/58/38/29/654583829.db2.gz QFNHGNVYKUVSOR-UHFFFAOYSA-N 0 1 384.299 2.180 20 30 GEEDMN C#CCN1CCC(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000928648292 654654136 /nfs/dbraw/zinc/65/41/36/654654136.db2.gz JMFYGTHMKKFRLP-SJORKVTESA-N 0 1 392.297 2.136 20 30 GEEDMN C#CCN1CCC(NC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000928660182 654655183 /nfs/dbraw/zinc/65/51/83/654655183.db2.gz LGMPVRGLGWVYEI-UHFFFAOYSA-N 0 1 379.298 2.222 20 30 GEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@](C)(CO)c1cccc(Br)c1 ZINC000934498874 654851421 /nfs/dbraw/zinc/85/14/21/654851421.db2.gz HGQUXBAURGZGTB-IAGOWNOFSA-N 0 1 382.302 2.301 20 30 GEEDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2 ZINC001164685178 719711792 /nfs/dbraw/zinc/71/17/92/719711792.db2.gz RTHJOHHZPZLISS-UHFFFAOYSA-N 0 1 397.857 2.332 20 30 GEEDMN N#Cc1ccc(-c2ccncc2)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739354 720754231 /nfs/dbraw/zinc/75/42/31/720754231.db2.gz IJHYPKFBAIYHQE-MOPGFXCFSA-N 0 1 399.458 2.147 20 30 GEEDMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)c(C#N)cc4C#N)C[C@H]3C2)cn1 ZINC001164769881 721126623 /nfs/dbraw/zinc/12/66/23/721126623.db2.gz PXTGGJFGQONMHB-RHSMWYFYSA-N 0 1 381.871 2.170 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(C#N)cc4Cl)C3)O2)CC1 ZINC001164890990 721385946 /nfs/dbraw/zinc/38/59/46/721385946.db2.gz PZBBVCAYJXEVHN-XLIONFOSSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(Cl)c4C#N)C3)O2)CC1 ZINC001164890941 721395662 /nfs/dbraw/zinc/39/56/62/721395662.db2.gz PKOZYZLWEFGKJU-OXQOHEQNSA-N 0 1 389.931 2.372 20 30 GEEDMN Cc1nc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164982595 722119974 /nfs/dbraw/zinc/11/99/74/722119974.db2.gz XHVIMLOTNGGMFG-WMZOPIPTSA-N 0 1 398.898 2.432 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000155182665 531662334 /nfs/dbraw/zinc/66/23/34/531662334.db2.gz NFTJTNJOMIQPSE-CQSZACIVSA-N 0 1 384.299 2.180 20 30 GEEDMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157341604 531741046 /nfs/dbraw/zinc/74/10/46/531741046.db2.gz OXIAKLZJRROEAN-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cn1 ZINC000164951417 531869396 /nfs/dbraw/zinc/86/93/96/531869396.db2.gz OLALVUZOWUSTMZ-UHFFFAOYSA-N 0 1 385.186 2.359 20 30 GEEDMN C=CCN(C(=O)c1[nH]nc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000171796790 531919225 /nfs/dbraw/zinc/91/92/25/531919225.db2.gz HQSCWNHLEFHPDI-NSHDSACASA-N 0 1 398.282 2.141 20 30 GEEDMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184507702 532333211 /nfs/dbraw/zinc/33/32/11/532333211.db2.gz AFEYYQSILUQTFL-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN C#CCNC(=O)[C@@H](C)Sc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000191312521 532360318 /nfs/dbraw/zinc/36/03/18/532360318.db2.gz JSPSMGBGHOXGTN-SECBINFHSA-N 0 1 395.282 2.473 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000562690931 532477902 /nfs/dbraw/zinc/47/79/02/532477902.db2.gz CFHCGZWXABDNRG-SNVBAGLBSA-N 0 1 375.226 2.096 20 30 GEEDMN CCOC(=O)Cn1nc(C)cc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000593281770 532480497 /nfs/dbraw/zinc/48/04/97/532480497.db2.gz PTQDGVNATJQYDS-UHFFFAOYSA-N 0 1 382.829 2.081 20 30 GEEDMN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000374399385 532501001 /nfs/dbraw/zinc/50/10/01/532501001.db2.gz BHRZJRWLPJADQM-JKSUJKDBSA-N 0 1 384.571 2.276 20 30 GEEDMN CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000296467452 532523393 /nfs/dbraw/zinc/52/33/93/532523393.db2.gz XRBKSBLPJGXWTL-LLVKDONJSA-N 0 1 390.278 2.175 20 30 GEEDMN N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000522314124 532523813 /nfs/dbraw/zinc/52/38/13/532523813.db2.gz NEBVGQACEPWWPO-UHFFFAOYSA-N 0 1 379.825 2.490 20 30 GEEDMN CN(C)C1(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CC1 ZINC000597153834 532612546 /nfs/dbraw/zinc/61/25/46/532612546.db2.gz MUACYHBBHHCASX-MRXNPFEDSA-N 0 1 391.313 2.252 20 30 GEEDMN CCN(CC)C(=O)CN1CCC(Nc2cc(C#N)c(Br)cn2)CC1 ZINC000603394291 532692580 /nfs/dbraw/zinc/69/25/80/532692580.db2.gz WVRXAYBGIXLCLJ-UHFFFAOYSA-N 0 1 394.317 2.460 20 30 GEEDMN Cc1nc(C)c(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)s1 ZINC000267526289 532744403 /nfs/dbraw/zinc/74/44/03/532744403.db2.gz IGNWKLHFEHOYSQ-UHFFFAOYSA-N 0 1 378.523 2.384 20 30 GEEDMN CS(=O)(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000502840653 532740907 /nfs/dbraw/zinc/74/09/07/532740907.db2.gz DCDQUJHZLQYCEP-HNNXBMFYSA-N 0 1 383.901 2.439 20 30 GEEDMN C[C@@](C#N)(NC(=O)CN[C@@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000286594645 532757833 /nfs/dbraw/zinc/75/78/33/532757833.db2.gz QUOXXEQALJGACP-IRXDYDNUSA-N 0 1 380.286 2.055 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000268803126 532771198 /nfs/dbraw/zinc/77/11/98/532771198.db2.gz QUGXPAHQQIWFHY-ZDUSSCGKSA-N 0 1 381.255 2.400 20 30 GEEDMN O=C(CN1CCSC[C@H]1CO)Nc1cccc(CN2CCSCC2)c1 ZINC000329610144 532809199 /nfs/dbraw/zinc/80/91/99/532809199.db2.gz BYNUFMRQLLMAOJ-QGZVFWFLSA-N 0 1 381.567 2.233 20 30 GEEDMN Cc1cc(C(=O)N2CCN(c3ncc(Br)cc3C#N)[C@H](C)C2)n[nH]1 ZINC000413367086 532810630 /nfs/dbraw/zinc/81/06/30/532810630.db2.gz WEBYDZUIZYCRGP-LLVKDONJSA-N 0 1 389.257 2.098 20 30 GEEDMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000331600587 532841568 /nfs/dbraw/zinc/84/15/68/532841568.db2.gz ZEFMPTZJBMQHBR-QMTHXVAHSA-N 0 1 384.299 2.082 20 30 GEEDMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)n[nH]1 ZINC000288916934 532841906 /nfs/dbraw/zinc/84/19/06/532841906.db2.gz UMSIGKIWKXHYMT-SECBINFHSA-N 0 1 390.241 2.038 20 30 GEEDMN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1OCCc2sccc21 ZINC000292386453 532915761 /nfs/dbraw/zinc/91/57/61/532915761.db2.gz KAQYDEIPLHYMGX-SJKOYZFVSA-N 0 1 377.491 2.081 20 30 GEEDMN CCc1nn(C)c(Cl)c1CN=Nc1oc(CC(C)C)nc1-c1nn[nH]n1 ZINC000736706156 599156820 /nfs/dbraw/zinc/15/68/20/599156820.db2.gz UVYPOLSCNXJKNW-UHFFFAOYSA-N 0 1 377.840 2.449 20 30 GEEDMN C=CC[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735409702 599203389 /nfs/dbraw/zinc/20/33/89/599203389.db2.gz IXWCZXRDQAORQG-GFCCVEGCSA-N 0 1 397.439 2.412 20 30 GEEDMN C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819824127 597646969 /nfs/dbraw/zinc/64/69/69/597646969.db2.gz XTQPVFOTZAZISX-YOEHRIQHSA-N 0 1 383.370 2.400 20 30 GEEDMN C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819824126 597646976 /nfs/dbraw/zinc/64/69/76/597646976.db2.gz XTQPVFOTZAZISX-WMLDXEAASA-N 0 1 383.370 2.400 20 30 GEEDMN N#Cc1ccc(OCCCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000737722804 598251761 /nfs/dbraw/zinc/25/17/61/598251761.db2.gz YNWXQROGMHZQCP-UHFFFAOYSA-N 0 1 389.463 2.329 20 30 GEEDMN C=C(C)C[NH+]1CCC(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000735399725 598361769 /nfs/dbraw/zinc/36/17/69/598361769.db2.gz UCJPJBFACNYVHE-UHFFFAOYSA-N 0 1 395.467 2.329 20 30 GEEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(-c3nn[nH]n3)cc2C)n1 ZINC000825571269 607398751 /nfs/dbraw/zinc/39/87/51/607398751.db2.gz WZHBYTUPNBSRBY-GFCCVEGCSA-N 0 1 382.405 2.298 20 30 GEEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-c3nn[nH]n3)cc2C)n1 ZINC000825571269 607398752 /nfs/dbraw/zinc/39/87/52/607398752.db2.gz WZHBYTUPNBSRBY-GFCCVEGCSA-N 0 1 382.405 2.298 20 30 GEEDMN Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738770240 600566453 /nfs/dbraw/zinc/56/64/53/600566453.db2.gz YFEFIFICJAHKRN-NRFANRHFSA-N 0 1 377.444 2.379 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](C(=O)[O-])C2)c1C#N ZINC000818758804 601113123 /nfs/dbraw/zinc/11/31/23/601113123.db2.gz JUZHHBIAJARKNJ-OAHLLOKOSA-N 0 1 384.436 2.353 20 30 GEEDMN C#CC[N@@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CCCC1 ZINC000825614084 601664019 /nfs/dbraw/zinc/66/40/19/601664019.db2.gz DJBGCOVRMFWLRZ-UHFFFAOYSA-N 0 1 378.450 2.358 20 30 GEEDMN C#CC[N@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C1CCCC1 ZINC000825614084 601664022 /nfs/dbraw/zinc/66/40/22/601664022.db2.gz DJBGCOVRMFWLRZ-UHFFFAOYSA-N 0 1 378.450 2.358 20 30 GEEDMN N#Cc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000833073107 601732830 /nfs/dbraw/zinc/73/28/30/601732830.db2.gz VRDFTMHYCLMWDN-QFIPXVFZSA-N 0 1 377.444 2.336 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000832618318 601922577 /nfs/dbraw/zinc/92/25/77/601922577.db2.gz RNQHGSVQNDCZKZ-HUUCEWRRSA-N 0 1 391.493 2.222 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000832618318 601922581 /nfs/dbraw/zinc/92/25/81/601922581.db2.gz RNQHGSVQNDCZKZ-HUUCEWRRSA-N 0 1 391.493 2.222 20 30 GEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000825977266 601924920 /nfs/dbraw/zinc/92/49/20/601924920.db2.gz BTQCWUMRYDGHFX-BBRMVZONSA-N 0 1 379.457 2.353 20 30 GEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000825977266 601924922 /nfs/dbraw/zinc/92/49/22/601924922.db2.gz BTQCWUMRYDGHFX-BBRMVZONSA-N 0 1 379.457 2.353 20 30 GEEDMN N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[O-])C1)CCC2 ZINC000740310242 602376827 /nfs/dbraw/zinc/37/68/27/602376827.db2.gz CRNOWHIZRXIPGT-GFCCVEGCSA-N 0 1 376.482 2.417 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739975681 602793837 /nfs/dbraw/zinc/79/38/37/602793837.db2.gz IWDYBQQHIKRJCP-OWCLPIDISA-N 0 1 388.468 2.308 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739975681 602793839 /nfs/dbraw/zinc/79/38/39/602793839.db2.gz IWDYBQQHIKRJCP-OWCLPIDISA-N 0 1 388.468 2.308 20 30 GEEDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000827015382 604512880 /nfs/dbraw/zinc/51/28/80/604512880.db2.gz CFSCBABVOWVJLK-YOEHRIQHSA-N 0 1 382.420 2.034 20 30 GEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000833419639 604862650 /nfs/dbraw/zinc/86/26/50/604862650.db2.gz IMCHJCKUNHEXNQ-QGZVFWFLSA-N 0 1 398.463 2.103 20 30 GEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000833417123 604928297 /nfs/dbraw/zinc/92/82/97/604928297.db2.gz MOKPYOASGSXUOA-HIFRSBDPSA-N 0 1 396.447 2.334 20 30 GEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000833417123 604928298 /nfs/dbraw/zinc/92/82/98/604928298.db2.gz MOKPYOASGSXUOA-HIFRSBDPSA-N 0 1 396.447 2.334 20 30 GEEDMN C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[N@@H+]1CCC(=O)[O-] ZINC000833621765 605257049 /nfs/dbraw/zinc/25/70/49/605257049.db2.gz JSCCUIOKLNXTME-OAHLLOKOSA-N 0 1 397.431 2.351 20 30 GEEDMN C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[N@H+]1CCC(=O)[O-] ZINC000833621765 605257050 /nfs/dbraw/zinc/25/70/50/605257050.db2.gz JSCCUIOKLNXTME-OAHLLOKOSA-N 0 1 397.431 2.351 20 30 GEEDMN N#Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)ccc1F ZINC000833970372 605514217 /nfs/dbraw/zinc/51/42/17/605514217.db2.gz NBBMFXSYAOMOEW-YJBOKZPZSA-N 0 1 388.443 2.168 20 30 GEEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832585 605902462 /nfs/dbraw/zinc/90/24/62/605902462.db2.gz UFBNBHJLQBFCRH-UTUOFQBUSA-N 0 1 376.482 2.413 20 30 GEEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832585 605902465 /nfs/dbraw/zinc/90/24/65/605902465.db2.gz UFBNBHJLQBFCRH-UTUOFQBUSA-N 0 1 376.482 2.413 20 30 GEEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](NC(=O)[O-])C3)sc2C1 ZINC000739112706 605929654 /nfs/dbraw/zinc/92/96/54/605929654.db2.gz GZFZWVYPUPKXJD-RYUDHWBXSA-N 0 1 376.482 2.415 20 30 GEEDMN C[C@@H](N[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(C#N)cc1 ZINC000820420945 606299560 /nfs/dbraw/zinc/29/95/60/606299560.db2.gz YMFLUUHIIZPFIL-ABAIWWIYSA-N 0 1 379.449 2.256 20 30 GEEDMN C[C@@H](N[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc(C#N)c1 ZINC000820420237 606308925 /nfs/dbraw/zinc/30/89/25/606308925.db2.gz NVOUFEXPGDJCMA-ABAIWWIYSA-N 0 1 379.449 2.256 20 30 GEEDMN N#Cc1ccc(F)cc1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000822829865 607059158 /nfs/dbraw/zinc/05/91/58/607059158.db2.gz MSBKAFDRMDKRGQ-UHFFFAOYSA-N 0 1 394.414 2.065 20 30 GEEDMN CC(C)(C#N)c1ccccc1CN1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000819891943 607146577 /nfs/dbraw/zinc/14/65/77/607146577.db2.gz MVLRPDKMANBQEH-UHFFFAOYSA-N 0 1 388.479 2.385 20 30 GEEDMN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825865653 608190273 /nfs/dbraw/zinc/19/02/73/608190273.db2.gz JOAOPNSLXQLSLO-UHFFFAOYSA-N 0 1 388.888 2.416 20 30 GEEDMN C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825865653 608190274 /nfs/dbraw/zinc/19/02/74/608190274.db2.gz JOAOPNSLXQLSLO-UHFFFAOYSA-N 0 1 388.888 2.416 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2cc(C)cc(Br)c2O)o1 ZINC000826256262 609374353 /nfs/dbraw/zinc/37/43/53/609374353.db2.gz AKIWWELGPCQMFI-UHFFFAOYSA-N 0 1 378.190 2.386 20 30 GEEDMN COC(=O)COc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[nH]n2)cc1 ZINC000826138168 609448701 /nfs/dbraw/zinc/44/87/01/609448701.db2.gz IGRDQAUAESNDLK-UHFFFAOYSA-N 0 1 399.411 2.150 20 30 GEEDMN N#Cc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)ccc1F ZINC000826384462 609529130 /nfs/dbraw/zinc/52/91/30/609529130.db2.gz WLAHKRNKGFQNSV-UHFFFAOYSA-N 0 1 378.776 2.332 20 30 GEEDMN CC(C)[C@@H](CNC(=O)c1cccc(C#N)c1Br)N1CCN(C)CC1 ZINC000448968988 650027339 /nfs/dbraw/zinc/02/73/39/650027339.db2.gz HVRYKMSSSOLQGW-MRXNPFEDSA-N 0 1 393.329 2.323 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000449803547 650050838 /nfs/dbraw/zinc/05/08/38/650050838.db2.gz ONWPMWMDSIOSTD-ZDUSSCGKSA-N 0 1 378.270 2.396 20 30 GEEDMN CCc1nc([C@@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)n[nH]1 ZINC000450296162 650063596 /nfs/dbraw/zinc/06/35/96/650063596.db2.gz CTNDEYARDAOCET-SECBINFHSA-N 0 1 378.230 2.257 20 30 GEEDMN CCc1nc([C@H](C)NC(=O)COc2cccc(Br)c2C#N)n[nH]1 ZINC000450299647 650063602 /nfs/dbraw/zinc/06/36/02/650063602.db2.gz PCIXOJWIJDPVAW-VIFPVBQESA-N 0 1 378.230 2.257 20 30 GEEDMN CC1=CCN(CCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000450625295 650068365 /nfs/dbraw/zinc/06/83/65/650068365.db2.gz QDTCQZHVXCMZRG-UHFFFAOYSA-N 0 1 378.270 2.468 20 30 GEEDMN C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CCCO1 ZINC000451467093 650118058 /nfs/dbraw/zinc/11/80/58/650118058.db2.gz SBABUKYFLFAPJS-CQSZACIVSA-N 0 1 385.917 2.185 20 30 GEEDMN CC(C)(C)c1nc(CNC(=O)COc2cccc(Br)c2C#N)n[nH]1 ZINC000458029667 650393130 /nfs/dbraw/zinc/39/31/30/650393130.db2.gz PNUQKMBDWRBUJJ-UHFFFAOYSA-N 0 1 392.257 2.432 20 30 GEEDMN CN1N=C(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCC1=O ZINC000028903914 642454922 /nfs/dbraw/zinc/45/49/22/642454922.db2.gz PNECIEJYWRRQSN-UHFFFAOYSA-N 0 1 377.202 2.430 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000064271349 642872059 /nfs/dbraw/zinc/87/20/59/642872059.db2.gz JAHXXVFXWMRDAJ-UHFFFAOYSA-N 0 1 398.326 2.199 20 30 GEEDMN C=C(Br)CNC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000069118974 643020452 /nfs/dbraw/zinc/02/04/52/643020452.db2.gz UIXLSDQRUKCTQF-UHFFFAOYSA-N 0 1 381.318 2.407 20 30 GEEDMN C#CCSCCNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000121480571 643633610 /nfs/dbraw/zinc/63/36/10/643633610.db2.gz MXMBEUBFMNXUPV-UHFFFAOYSA-N 0 1 394.298 2.400 20 30 GEEDMN C#CCSCCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000121480571 643633612 /nfs/dbraw/zinc/63/36/12/643633612.db2.gz MXMBEUBFMNXUPV-UHFFFAOYSA-N 0 1 394.298 2.400 20 30 GEEDMN N#CC1(c2ccccc2)CC(NC[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000128179414 643794704 /nfs/dbraw/zinc/79/47/04/643794704.db2.gz XAJBSTTXJYATHA-PQUAAJSLSA-N 0 1 376.503 2.096 20 30 GEEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000499156706 650875136 /nfs/dbraw/zinc/87/51/36/650875136.db2.gz JJTPTLRFRVJTPK-UHFFFAOYSA-N 0 1 379.825 2.185 20 30 GEEDMN N#CCCCCS(=O)(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000500098072 650896669 /nfs/dbraw/zinc/89/66/69/650896669.db2.gz LKPYZFZHTFFIBS-UHFFFAOYSA-N 0 1 398.286 2.347 20 30 GEEDMN N#CCCCCS(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000500098072 650896670 /nfs/dbraw/zinc/89/66/70/650896670.db2.gz LKPYZFZHTFFIBS-UHFFFAOYSA-N 0 1 398.286 2.347 20 30 GEEDMN C=CCCCN(C)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000270506644 646113056 /nfs/dbraw/zinc/11/30/56/646113056.db2.gz NPVXSRHZMAEXAJ-UHFFFAOYSA-N 0 1 376.500 2.044 20 30 GEEDMN C[C@H](O)CN1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000281728869 646793251 /nfs/dbraw/zinc/79/32/51/646793251.db2.gz WBAAJEZOSVDAQU-LBPRGKRZSA-N 0 1 375.270 2.372 20 30 GEEDMN COc1ccc(NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(Br)c1 ZINC000330711362 647347955 /nfs/dbraw/zinc/34/79/55/647347955.db2.gz UUMGZSQFDUMMOX-RYUDHWBXSA-N 0 1 386.290 2.390 20 30 GEEDMN CCN1CCC(N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000331211063 647371042 /nfs/dbraw/zinc/37/10/42/647371042.db2.gz YJIIVWMEWDLTOX-UHFFFAOYSA-N 0 1 386.315 2.426 20 30 GEEDMN O=C([C@H]1NC(=O)C[C@H]1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000365460702 647671047 /nfs/dbraw/zinc/67/10/47/647671047.db2.gz IEONJDIEUAGZIN-VDTYLAMSSA-N 0 1 386.214 2.397 20 30 GEEDMN CC(C)(C)c1nc(CNS(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000416549379 648168166 /nfs/dbraw/zinc/16/81/66/648168166.db2.gz YNDPUWHGZVVQAJ-UHFFFAOYSA-N 0 1 398.286 2.215 20 30 GEEDMN CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000421248966 648478136 /nfs/dbraw/zinc/47/81/36/648478136.db2.gz LPICXYRLINFAFH-DZGCQCFKSA-N 0 1 388.511 2.175 20 30 GEEDMN COC(=O)c1cncc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000550919525 651116404 /nfs/dbraw/zinc/11/64/04/651116404.db2.gz QWIXUOMMTALAAL-UHFFFAOYSA-N 0 1 396.222 2.303 20 30 GEEDMN C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000551231386 651121142 /nfs/dbraw/zinc/12/11/42/651121142.db2.gz NRXFKHKUVDLNPG-UHFFFAOYSA-N 0 1 388.236 2.098 20 30 GEEDMN Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000728294882 651541345 /nfs/dbraw/zinc/54/13/45/651541345.db2.gz LWTQANXOCQMHTO-UHFFFAOYSA-N 0 1 384.410 2.145 20 30 GEEDMN CS(=O)(=O)CCCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000731288363 651624252 /nfs/dbraw/zinc/62/42/52/651624252.db2.gz SPFHLJXLNGWORO-LBPRGKRZSA-N 0 1 390.433 2.473 20 30 GEEDMN CNC(=S)C(=C(O)C1=CCC(=NC(N)=O)C=C1)[n+]1cccc([O-])c1Cl ZINC000735665315 651790312 /nfs/dbraw/zinc/79/03/12/651790312.db2.gz AVZABOGEYWCITF-UHFFFAOYSA-O 0 1 379.849 2.066 20 30 GEEDMN Cc1nc(C(C)N=Nc2ccccc2S(=O)(=O)N2CCOCC2)cs1 ZINC000745201336 652070903 /nfs/dbraw/zinc/07/09/03/652070903.db2.gz TWSSJUVEFOJUCU-UHFFFAOYSA-N 0 1 380.495 2.309 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000748410029 652202239 /nfs/dbraw/zinc/20/22/39/652202239.db2.gz CYHCIGZBZAQUKE-UHFFFAOYSA-N 0 1 379.825 2.224 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)c1 ZINC000749542458 652258066 /nfs/dbraw/zinc/25/80/66/652258066.db2.gz HLEGJPONPATNNA-UHFFFAOYSA-N 0 1 385.181 2.254 20 30 GEEDMN O=S(=O)(Nc1nccs1)c1ccc(NN=Cc2ccc(O)cn2)cc1 ZINC000755761254 652475731 /nfs/dbraw/zinc/47/57/31/652475731.db2.gz JRRNWBHZAGUDBR-UHFFFAOYSA-N 0 1 375.435 2.491 20 30 GEEDMN Oc1cc(Cl)c(C=NNC(=S)NCCCN2CCOCC2)cc1Cl ZINC000758095814 652530436 /nfs/dbraw/zinc/53/04/36/652530436.db2.gz LZUWXEWLXGWLOH-UHFFFAOYSA-N 0 1 391.324 2.219 20 30 GEEDMN C=CCN(C(C)C)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000761255004 652638674 /nfs/dbraw/zinc/63/86/74/652638674.db2.gz PNVVCASLUIWIFU-UHFFFAOYSA-N 0 1 376.500 2.042 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)c(F)c1 ZINC000762532795 652700305 /nfs/dbraw/zinc/70/03/05/652700305.db2.gz ZGONQPMQDPJHHK-UPJWGTAASA-N 0 1 376.475 2.494 20 30 GEEDMN CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1C)[C@@H]1CCN(C)C1 ZINC000595111859 652704692 /nfs/dbraw/zinc/70/46/92/652704692.db2.gz UZPQMUVBMMEBMR-GFCCVEGCSA-N 0 1 393.285 2.120 20 30 GEEDMN COC[C@@H](CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)OC ZINC000595411217 652724964 /nfs/dbraw/zinc/72/49/64/652724964.db2.gz ZSARVEZWDGNYNN-SJORKVTESA-N 0 1 382.302 2.293 20 30 GEEDMN NS(=O)(=O)c1ccc(N=NCc2c(Cl)cccc2N2CCCC2)nc1 ZINC000763353318 652752882 /nfs/dbraw/zinc/75/28/82/652752882.db2.gz AKCWBWCNNYCWLH-UHFFFAOYSA-N 0 1 379.873 2.429 20 30 GEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000766622228 652888975 /nfs/dbraw/zinc/88/89/75/652888975.db2.gz DEHCINUOWNONJF-NSHDSACASA-N 0 1 378.431 2.121 20 30 GEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000767431834 652925199 /nfs/dbraw/zinc/92/51/99/652925199.db2.gz JOBHQMAIYMBMHI-LLVKDONJSA-N 0 1 378.431 2.121 20 30 GEEDMN C[C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000768910847 653137410 /nfs/dbraw/zinc/13/74/10/653137410.db2.gz ZMBKNBOOHYLEGP-SECBINFHSA-N 0 1 375.397 2.028 20 30 GEEDMN CCc1[nH]nc(Cl)c1C=NNc1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000863071719 653701814 /nfs/dbraw/zinc/70/18/14/653701814.db2.gz XKJKQVUSQNRZKK-UHFFFAOYSA-N 0 1 384.893 2.497 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000841028172 653705309 /nfs/dbraw/zinc/70/53/09/653705309.db2.gz CEPTVFZYSWLFSJ-WRWORJQWSA-N 0 1 388.063 2.445 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000841225970 653711141 /nfs/dbraw/zinc/71/11/41/653711141.db2.gz LWSZSTHXISVWHF-WCBMZHEXSA-N 0 1 393.270 2.201 20 30 GEEDMN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000841503623 653722573 /nfs/dbraw/zinc/72/25/73/653722573.db2.gz RELVOPCFDFVTNT-UHFFFAOYSA-N 0 1 396.270 2.007 20 30 GEEDMN CN1CCN(c2ncccc2CNc2ncc(C#N)cc2Br)CC1 ZINC000881853935 653743424 /nfs/dbraw/zinc/74/34/24/653743424.db2.gz ORQOFZYYIONSPZ-UHFFFAOYSA-N 0 1 387.285 2.475 20 30 GEEDMN COCCn1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1 ZINC000842288159 653751146 /nfs/dbraw/zinc/75/11/46/653751146.db2.gz FOWMDLAOVDHFJC-GFCCVEGCSA-N 0 1 382.207 2.192 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000843462061 653787629 /nfs/dbraw/zinc/78/76/29/653787629.db2.gz ZKKATZHWFFXYRF-YMTOWFKASA-N 0 1 381.219 2.402 20 30 GEEDMN C#C[C@H](NC(=O)N1CCN(C)CCN(C)CC1)c1ccc(Br)cc1 ZINC000895686562 653845835 /nfs/dbraw/zinc/84/58/35/653845835.db2.gz DULKHINEYWTKLZ-KRWDZBQOSA-N 0 1 393.329 2.012 20 30 GEEDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284172 653922680 /nfs/dbraw/zinc/92/26/80/653922680.db2.gz SCBFRCNGJDHIOU-DBRKOABJSA-N 0 1 382.207 2.281 20 30 GEEDMN C#C[C@@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000796086444 653985192 /nfs/dbraw/zinc/98/51/92/653985192.db2.gz KJOKKLVCTHBCTL-GFCCVEGCSA-N 0 1 386.792 2.257 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCCN2C(C)C)c(=O)c1C#N ZINC000898793366 653986310 /nfs/dbraw/zinc/98/63/10/653986310.db2.gz QNQJJTLTAUPGOD-ZDUSSCGKSA-N 0 1 381.274 2.042 20 30 GEEDMN CC(N=Nc1ccc(F)cn1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797402830 654030299 /nfs/dbraw/zinc/03/02/99/654030299.db2.gz PZABQXMQSXDQQK-UHFFFAOYSA-N 0 1 387.234 2.467 20 30 GEEDMN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Nn1c(=O)c(C)n[nH]c1=S ZINC000916303407 654091053 /nfs/dbraw/zinc/09/10/53/654091053.db2.gz GYFNXZRQIQGFSQ-UHFFFAOYSA-N 0 1 378.820 2.404 20 30 GEEDMN COC(=O)[C@H](NS(=O)(=O)CC(C)(C)C#N)c1ccccc1Br ZINC000917363381 654121432 /nfs/dbraw/zinc/12/14/32/654121432.db2.gz LZEBHULYJNOBMN-GFCCVEGCSA-N 0 1 389.271 2.132 20 30 GEEDMN N#Cc1nc(NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)ccc1Br ZINC000902904458 654202787 /nfs/dbraw/zinc/20/27/87/654202787.db2.gz KQPUYIOQXXDPTA-AAEUAGOBSA-N 0 1 396.314 2.417 20 30 GEEDMN N#Cc1sc(NCCCCN2CCN(c3ncccn3)CC2)nc1Cl ZINC000804431132 654309598 /nfs/dbraw/zinc/30/95/98/654309598.db2.gz KQRSAFPWNFHLMO-UHFFFAOYSA-N 0 1 377.905 2.472 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000834494946 654330376 /nfs/dbraw/zinc/33/03/76/654330376.db2.gz REVFCFLPIZPEPL-RISCZKNCSA-N 0 1 389.253 2.264 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000922024419 654356478 /nfs/dbraw/zinc/35/64/78/654356478.db2.gz QOTZCLZDVUCORQ-UHFFFAOYSA-N 0 1 383.901 2.017 20 30 GEEDMN N#Cc1ccc(Br)c(CN[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1 ZINC000922135453 654370764 /nfs/dbraw/zinc/37/07/64/654370764.db2.gz RFISOBBUAASEPK-INMHGKMJSA-N 0 1 378.270 2.237 20 30 GEEDMN N#Cc1cc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)ccc1Br ZINC000906904198 654485306 /nfs/dbraw/zinc/48/53/06/654485306.db2.gz KKJOOVNFTYVNHK-ZDUSSCGKSA-N 0 1 384.299 2.180 20 30 GEEDMN C#CCN1CCC(NC(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 ZINC000930700198 654717328 /nfs/dbraw/zinc/71/73/28/654717328.db2.gz DMALYHQMHAVTGO-UHFFFAOYSA-N 0 1 394.269 2.455 20 30 GEEDMN CN(C)CC#CCNC(=O)Nc1c(F)cc(I)cc1F ZINC000931731878 654754937 /nfs/dbraw/zinc/75/49/37/654754937.db2.gz DCRQZUREVZFNIC-UHFFFAOYSA-N 0 1 393.175 2.256 20 30 GEEDMN CCN1CC[C@H]1CNC(=O)Nc1ccc(C#N)cc1I ZINC000932547994 654780853 /nfs/dbraw/zinc/78/08/53/654780853.db2.gz WURREPMUWVPCEO-NSHDSACASA-N 0 1 384.221 2.379 20 30 GEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934497005 654851194 /nfs/dbraw/zinc/85/11/94/654851194.db2.gz GSNYIJGCNCHQRC-DYVFJYSZSA-N 0 1 382.302 2.254 20 30 GEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934497006 654851212 /nfs/dbraw/zinc/85/12/12/654851212.db2.gz GSNYIJGCNCHQRC-GUYCJALGSA-N 0 1 382.302 2.254 20 30 GEEDMN CC(C)(C#N)C[C@@H](O)CN[C@@H](CO)c1ccccc1I ZINC000934827639 654862032 /nfs/dbraw/zinc/86/20/32/654862032.db2.gz YEIBJVIKBFPDIB-RISCZKNCSA-N 0 1 388.249 2.215 20 30 GEEDMN N#Cc1c(Cl)cc(Cl)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742806 720801808 /nfs/dbraw/zinc/80/18/08/720801808.db2.gz FCDAQJUHTPGXHU-NEPJUHHUSA-N 0 1 391.262 2.392 20 30 GEEDMN Cc1cc(Cl)nc(N2CCCC23CCN(CC(=O)N(C)C)CC3)c1C#N ZINC001165008215 721730731 /nfs/dbraw/zinc/73/07/31/721730731.db2.gz KZFBGXXGYCDCMH-UHFFFAOYSA-N 0 1 375.904 2.438 20 30 GEEDMN N#Cc1nc(Cl)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974538 722105813 /nfs/dbraw/zinc/10/58/13/722105813.db2.gz AFWFNLOTBWXHQD-NVXWUHKLSA-N 0 1 384.871 2.124 20 30 GEEDMN N#Cc1cnc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981752 722106449 /nfs/dbraw/zinc/10/64/49/722106449.db2.gz MFPUMOHTQGPUTM-DOTOQJQBSA-N 0 1 384.871 2.124 20 30 GEEDMN N#Cc1cc(Cl)nnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984357 722107119 /nfs/dbraw/zinc/10/71/19/722107119.db2.gz SSBLVPGNVXVCKC-RDJZCZTQSA-N 0 1 384.871 2.124 20 30 GEEDMN C=CCN1C(=S)N=NC1c1sc(NC(=O)Cc2cc(C)[nH]n2)nc1C ZINC000153262392 531594995 /nfs/dbraw/zinc/59/49/95/531594995.db2.gz GGWKXQBQWUJVCA-UHFFFAOYSA-N 0 1 375.483 2.397 20 30 GEEDMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155268277 531669983 /nfs/dbraw/zinc/66/99/83/531669983.db2.gz CVANRGSWDMDVNP-AWEZNQCLSA-N 0 1 386.315 2.426 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000155182568 531661898 /nfs/dbraw/zinc/66/18/98/531661898.db2.gz NFTJTNJOMIQPSE-AWEZNQCLSA-N 0 1 384.299 2.180 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000155204469 531663238 /nfs/dbraw/zinc/66/32/38/531663238.db2.gz BQBZXKPYSDMMDM-AWEZNQCLSA-N 0 1 384.299 2.083 20 30 GEEDMN COc1nc(N2CCN(CCCSCC#N)CC2)ncc1Br ZINC000175867210 532118286 /nfs/dbraw/zinc/11/82/86/532118286.db2.gz CVARUPCICUVERZ-UHFFFAOYSA-N 0 1 386.319 2.017 20 30 GEEDMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183653687 532327033 /nfs/dbraw/zinc/32/70/33/532327033.db2.gz KUZSYVMRYQYARS-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCc2noc(-c3cccs3)n2)c(F)c1 ZINC000467133297 532439120 /nfs/dbraw/zinc/43/91/20/532439120.db2.gz HFMSLHNTWFEUBP-UHFFFAOYSA-N 0 1 382.373 2.426 20 30 GEEDMN CN1CCC(C#N)(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000593113648 532469479 /nfs/dbraw/zinc/46/94/79/532469479.db2.gz ZQAFGMYLQAAXKJ-CYBMUJFWSA-N 0 1 378.270 2.419 20 30 GEEDMN CN1CCC(C#N)(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000520292868 532488851 /nfs/dbraw/zinc/48/88/51/532488851.db2.gz NTRSZZWEXQBSMM-CQSZACIVSA-N 0 1 378.885 2.247 20 30 GEEDMN C#CCN1CCC(C(=O)N(C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000296832062 532546848 /nfs/dbraw/zinc/54/68/48/532546848.db2.gz DNOPTNLAVNHRMC-QGZVFWFLSA-N 0 1 379.298 2.286 20 30 GEEDMN CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC000285097225 532647502 /nfs/dbraw/zinc/64/75/02/532647502.db2.gz LPPRNKUNXPDCDD-BMRADRMJSA-N 0 1 399.519 2.362 20 30 GEEDMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCC#N)c1 ZINC000477936636 532655121 /nfs/dbraw/zinc/65/51/21/532655121.db2.gz LPIBYMIZEHFHCN-UHFFFAOYSA-N 0 1 379.825 2.403 20 30 GEEDMN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)C(C)C#N ZINC000534758606 532672067 /nfs/dbraw/zinc/67/20/67/532672067.db2.gz OIJDNSZMMZDFJT-TVQRCGJNSA-N 0 1 378.226 2.290 20 30 GEEDMN C=CCN1CC[C@H](N(C)CCC(=O)Nc2cccc(Br)c2)C1=O ZINC000499938422 532728786 /nfs/dbraw/zinc/72/87/86/532728786.db2.gz JUQDKABLHZNNAR-HNNXBMFYSA-N 0 1 380.286 2.496 20 30 GEEDMN C[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CCN1CCO ZINC000440656912 532718646 /nfs/dbraw/zinc/71/86/46/532718646.db2.gz CMEUZOOGXWTNOV-LBPRGKRZSA-N 0 1 375.270 2.372 20 30 GEEDMN CNC(=O)COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000502815327 532740679 /nfs/dbraw/zinc/74/06/79/532740679.db2.gz VALQXVXRLGLFOX-UHFFFAOYSA-N 0 1 379.825 2.137 20 30 GEEDMN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC000542046627 532763748 /nfs/dbraw/zinc/76/37/48/532763748.db2.gz IYVAKCKSYMKSAU-BSEYFRJRSA-N 0 1 376.503 2.420 20 30 GEEDMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC000287060844 532782028 /nfs/dbraw/zinc/78/20/28/532782028.db2.gz ASAFGTAJSIQLQW-NEPJUHHUSA-N 0 1 381.274 2.240 20 30 GEEDMN C[C@@H](O)CN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)[C@@H](C)C1 ZINC000287060846 532782095 /nfs/dbraw/zinc/78/20/95/532782095.db2.gz ASAFGTAJSIQLQW-NWDGAFQWSA-N 0 1 381.274 2.240 20 30 GEEDMN C[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000330481655 532819376 /nfs/dbraw/zinc/81/93/76/532819376.db2.gz RZZNOJMSKHVSOF-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Br ZINC000331166427 532834632 /nfs/dbraw/zinc/83/46/32/532834632.db2.gz GWLXKYUNBBUCKZ-CABCVRRESA-N 0 1 386.315 2.271 20 30 GEEDMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000331166429 532834876 /nfs/dbraw/zinc/83/48/76/532834876.db2.gz GWLXKYUNBBUCKZ-GJZGRUSLSA-N 0 1 386.315 2.271 20 30 GEEDMN CO[C@H]1C[C@@H](CN2CCCC2)N(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000331389309 532838786 /nfs/dbraw/zinc/83/87/86/532838786.db2.gz DHJINLHKGMGQMH-KBPBESRZSA-N 0 1 383.901 2.085 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1N1CCCC1 ZINC000274824647 532857492 /nfs/dbraw/zinc/85/74/92/532857492.db2.gz QRIGDVPCZREPTB-JKSUJKDBSA-N 0 1 385.942 2.412 20 30 GEEDMN C=C[C@@H](CO)NS(=O)(=O)c1scc(Br)c1Br ZINC000290047787 532871176 /nfs/dbraw/zinc/87/11/76/532871176.db2.gz BBVYFLSHDKTXPG-YFKPBYRVSA-N 0 1 391.106 2.098 20 30 GEEDMN C=CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1n[nH]c(C(C)C)n1 ZINC000291974231 532911428 /nfs/dbraw/zinc/91/14/28/532911428.db2.gz UCWRDPVSJMTJRX-UHFFFAOYSA-N 0 1 378.483 2.408 20 30 GEEDMN COc1cc(C#N)ccc1OCCn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000737033966 598940224 /nfs/dbraw/zinc/94/02/24/598940224.db2.gz DPLNLJBOFSBJCU-UHFFFAOYSA-N 0 1 388.387 2.141 20 30 GEEDMN CC(=NNCCN1CCCCC1)c1cnn(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000735451332 599148294 /nfs/dbraw/zinc/14/82/94/599148294.db2.gz XSXJYNNZAFHNFX-UHFFFAOYSA-N 0 1 393.499 2.160 20 30 GEEDMN COc1ccc(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)cc1SC(F)(F)F ZINC000737100469 599163619 /nfs/dbraw/zinc/16/36/19/599163619.db2.gz YKSDPCKYZQOKFG-UHFFFAOYSA-N 0 1 396.358 2.186 20 30 GEEDMN CCOCCOCC(=O)C(C#N)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000736623365 598331644 /nfs/dbraw/zinc/33/16/44/598331644.db2.gz FKOYGDHPTSANLB-AWEZNQCLSA-N 0 1 398.448 2.220 20 30 GEEDMN Cc1c(C=NNC2CCCC2)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1 ZINC000737211455 598495103 /nfs/dbraw/zinc/49/51/03/598495103.db2.gz MAGPFTFRZZFNKJ-UHFFFAOYSA-N 0 1 376.424 2.135 20 30 GEEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(-c3nn[nH]n3)cc2C)n1 ZINC000825571270 607398870 /nfs/dbraw/zinc/39/88/70/607398870.db2.gz WZHBYTUPNBSRBY-LBPRGKRZSA-N 0 1 382.405 2.298 20 30 GEEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-c3nn[nH]n3)cc2C)n1 ZINC000825571270 607398872 /nfs/dbraw/zinc/39/88/72/607398872.db2.gz WZHBYTUPNBSRBY-LBPRGKRZSA-N 0 1 382.405 2.298 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(Cc3noc(CCCC(=O)[O-])n3)CC2)cc1 ZINC000739116640 600287307 /nfs/dbraw/zinc/28/73/07/600287307.db2.gz BKRBWKCZFJQVET-UHFFFAOYSA-N 0 1 383.452 2.056 20 30 GEEDMN Cc1ccc(CC(=O)N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738584617 600567622 /nfs/dbraw/zinc/56/76/22/600567622.db2.gz MNKCDRXYWSDFTE-OAQYLSRUSA-N 0 1 377.444 2.379 20 30 GEEDMN N#Cc1ccccc1OCC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833074944 601729815 /nfs/dbraw/zinc/72/98/15/601729815.db2.gz HASOHICFYLACRP-JOCHJYFZSA-N 0 1 393.443 2.173 20 30 GEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000739584757 601969634 /nfs/dbraw/zinc/96/96/34/601969634.db2.gz MLQIAOQAHQNLQQ-CABCVRRESA-N 0 1 379.420 2.298 20 30 GEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000739584757 601969638 /nfs/dbraw/zinc/96/96/38/601969638.db2.gz MLQIAOQAHQNLQQ-CABCVRRESA-N 0 1 379.420 2.298 20 30 GEEDMN CN(C[C@@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(=O)[O-] ZINC000828222679 603579695 /nfs/dbraw/zinc/57/96/95/603579695.db2.gz CXUZYODDEWBQAN-GJZGRUSLSA-N 0 1 379.420 2.298 20 30 GEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000833419627 604862683 /nfs/dbraw/zinc/86/26/83/604862683.db2.gz IHANWZSWCQVVNB-QGZVFWFLSA-N 0 1 398.463 2.103 20 30 GEEDMN N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833972954 605520234 /nfs/dbraw/zinc/52/02/34/605520234.db2.gz FLSZXNZWISVONH-CRAIPNDOSA-N 0 1 388.443 2.168 20 30 GEEDMN C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])ccc1OC ZINC000833369272 605727257 /nfs/dbraw/zinc/72/72/57/605727257.db2.gz NWWGHLJUZQYQQK-HZPDHXFCSA-N 0 1 377.437 2.488 20 30 GEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c1F ZINC000833978549 605952436 /nfs/dbraw/zinc/95/24/36/605952436.db2.gz ONOABEGKKFQADD-WMLDXEAASA-N 0 1 388.443 2.168 20 30 GEEDMN COC(=O)[C@H](C)Oc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[nH]n2)cc1 ZINC000821641013 606918195 /nfs/dbraw/zinc/91/81/95/606918195.db2.gz UEIGGMZMZUZSOT-NSHDSACASA-N 0 1 399.411 2.364 20 30 GEEDMN Cc1c(C=NOCC(F)(F)F)c(=O)n2c3ccccc3[nH]c2c1-c1nn[nH]n1 ZINC000822029477 606995691 /nfs/dbraw/zinc/99/56/91/606995691.db2.gz ZMNYMGNXHSKEGN-UHFFFAOYSA-N 0 1 391.313 2.182 20 30 GEEDMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(F)cc1OCC#N ZINC000822151313 607155335 /nfs/dbraw/zinc/15/53/35/607155335.db2.gz AVRFDGRTYAGIBD-UHFFFAOYSA-N 0 1 388.384 2.017 20 30 GEEDMN CCCCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825272203 607851758 /nfs/dbraw/zinc/85/17/58/607851758.db2.gz YVTKUUKKNATYAG-UHFFFAOYSA-N 0 1 382.446 2.414 20 30 GEEDMN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826261420 609139927 /nfs/dbraw/zinc/13/99/27/609139927.db2.gz DZZLLHHVZAHUEM-INIZCTEOSA-N 0 1 399.418 2.258 20 30 GEEDMN Cc1cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826261420 609139929 /nfs/dbraw/zinc/13/99/29/609139929.db2.gz DZZLLHHVZAHUEM-INIZCTEOSA-N 0 1 399.418 2.258 20 30 GEEDMN N#Cc1ccc(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826384734 609600176 /nfs/dbraw/zinc/60/01/76/609600176.db2.gz HNSWWQRVXFZEOF-MRXNPFEDSA-N 0 1 379.449 2.085 20 30 GEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000449913573 650055710 /nfs/dbraw/zinc/05/57/10/650055710.db2.gz RQXNJCMKHYWIQT-OAHLLOKOSA-N 0 1 380.286 2.498 20 30 GEEDMN CCc1nc([C@@H](C)NC(=O)COc2cccc(Br)c2C#N)n[nH]1 ZINC000450299646 650063637 /nfs/dbraw/zinc/06/36/37/650063637.db2.gz PCIXOJWIJDPVAW-SECBINFHSA-N 0 1 378.230 2.257 20 30 GEEDMN CC(C)N(CCN(C)C)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451345304 650105744 /nfs/dbraw/zinc/10/57/44/650105744.db2.gz RNEJRYANMJFWEC-UHFFFAOYSA-N 0 1 392.294 2.421 20 30 GEEDMN CC1(C)CCCN1CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000452084896 650171714 /nfs/dbraw/zinc/17/17/14/650171714.db2.gz JBFOLWNLBWYWFP-UHFFFAOYSA-N 0 1 386.315 2.473 20 30 GEEDMN C=CCC[C@@H](CO)NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000458416767 650402865 /nfs/dbraw/zinc/40/28/65/650402865.db2.gz FGBFHNULMGHFIY-ZDUSSCGKSA-N 0 1 394.273 2.361 20 30 GEEDMN C=CCC[C@@H](CO)NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000458416767 650402866 /nfs/dbraw/zinc/40/28/66/650402866.db2.gz FGBFHNULMGHFIY-ZDUSSCGKSA-N 0 1 394.273 2.361 20 30 GEEDMN CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502489326 650407338 /nfs/dbraw/zinc/40/73/38/650407338.db2.gz RDWSZWMSAGJSPT-UHFFFAOYSA-N 0 1 399.881 2.263 20 30 GEEDMN COC1CCN(C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000475791741 650538753 /nfs/dbraw/zinc/53/87/53/650538753.db2.gz AVGXBJIRPNVFIT-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN C=CCOC[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC000481602676 650650294 /nfs/dbraw/zinc/65/02/94/650650294.db2.gz ADCXNYOECVQMFM-ZDUSSCGKSA-N 0 1 382.265 2.157 20 30 GEEDMN N#CC(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccccn1 ZINC000046439422 642611937 /nfs/dbraw/zinc/61/19/37/642611937.db2.gz VJGLMTURRNRGHL-CQSZACIVSA-N 0 1 375.475 2.347 20 30 GEEDMN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc2c(cc1Br)OCO2 ZINC000534833981 650781252 /nfs/dbraw/zinc/78/12/52/650781252.db2.gz VHLOKBLOUREIQN-UHFFFAOYSA-N 0 1 392.257 2.419 20 30 GEEDMN CS(=O)(=O)CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000108938081 643285665 /nfs/dbraw/zinc/28/56/65/643285665.db2.gz YQKXUUHZCSIPRP-SNVBAGLBSA-N 0 1 377.249 2.466 20 30 GEEDMN COc1ccc(CNCCNS(=O)(=O)c2cc(C)sc2C)cc1C#N ZINC000158390684 644143638 /nfs/dbraw/zinc/14/36/38/644143638.db2.gz FABRIZYKJYIHKZ-UHFFFAOYSA-N 0 1 379.507 2.313 20 30 GEEDMN C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000264513642 645687574 /nfs/dbraw/zinc/68/75/74/645687574.db2.gz JGHGRDXTPVROQT-NSHDSACASA-N 0 1 378.479 2.177 20 30 GEEDMN COCCN(Cc1ccc(C#N)cc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000266989359 645869698 /nfs/dbraw/zinc/86/96/98/645869698.db2.gz IUIUTOKVUWFCJT-UHFFFAOYSA-N 0 1 380.520 2.466 20 30 GEEDMN C=CCS(=O)(=O)CCNC(=O)N(CCN(CC)CC)Cc1cccs1 ZINC000272840907 646289050 /nfs/dbraw/zinc/28/90/50/646289050.db2.gz LZWCPPHMHIGCMH-UHFFFAOYSA-N 0 1 387.571 2.202 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000330571730 647346028 /nfs/dbraw/zinc/34/60/28/647346028.db2.gz FSPVOLINWMWYCU-UONOGXRCSA-N 0 1 393.456 2.243 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1N1CCCC1 ZINC000332107931 647411938 /nfs/dbraw/zinc/41/19/38/647411938.db2.gz ZZURHMMRYITYAR-HOTGVXAUSA-N 0 1 385.942 2.412 20 30 GEEDMN C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416429535 648125240 /nfs/dbraw/zinc/12/52/40/648125240.db2.gz ZCUHSQHOJULSKG-YGRLFVJLSA-N 0 1 384.299 2.082 20 30 GEEDMN CC(C)c1nc(CNS(=O)(=O)c2cc(Br)ccc2C#N)n[nH]1 ZINC000416491852 648146955 /nfs/dbraw/zinc/14/69/55/648146955.db2.gz AGUTWFYWQZXUNQ-UHFFFAOYSA-N 0 1 384.259 2.041 20 30 GEEDMN CC1(C)CCCN1CCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416495941 648149103 /nfs/dbraw/zinc/14/91/03/648149103.db2.gz NPIZVEINUFUSEF-UHFFFAOYSA-N 0 1 386.315 2.473 20 30 GEEDMN CC1CCN(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000443527366 648880763 /nfs/dbraw/zinc/88/07/63/648880763.db2.gz BNMLZHGEPKPVAD-UHFFFAOYSA-N 0 1 386.315 2.331 20 30 GEEDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(C#N)CCN(C)CC1 ZINC000550701706 651114042 /nfs/dbraw/zinc/11/40/42/651114042.db2.gz ZWYSWGPBJRNBSV-UHFFFAOYSA-N 0 1 381.230 2.384 20 30 GEEDMN Cn1nc(Br)c2c1ncnc2NN=Cc1ccccc1[N+](=O)[O-] ZINC000726740732 651500840 /nfs/dbraw/zinc/50/08/40/651500840.db2.gz BDINRSNYVLYNFS-UHFFFAOYSA-N 0 1 376.174 2.480 20 30 GEEDMN CN1CCC(C#N)(NC(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000564205270 651561423 /nfs/dbraw/zinc/56/14/23/651561423.db2.gz YGENMGMKTDUQJX-UHFFFAOYSA-N 0 1 377.242 2.237 20 30 GEEDMN N#Cc1c(Cl)nsc1NCCCCN1CCN(c2ncccn2)CC1 ZINC000729182406 651563169 /nfs/dbraw/zinc/56/31/69/651563169.db2.gz QHPZROHNAUSJBP-UHFFFAOYSA-N 0 1 377.905 2.472 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000729812113 651580423 /nfs/dbraw/zinc/58/04/23/651580423.db2.gz LYYKAOUYBWMPCE-CYBMUJFWSA-N 0 1 380.238 2.475 20 30 GEEDMN Cc1ccc(I)c(C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000608783172 651607386 /nfs/dbraw/zinc/60/73/86/651607386.db2.gz PUNPEYUENYJGHW-UHFFFAOYSA-N 0 1 383.233 2.317 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC1 ZINC000609988827 651639356 /nfs/dbraw/zinc/63/93/56/651639356.db2.gz YFTQNMDHQXSFSM-UHFFFAOYSA-N 0 1 389.253 2.421 20 30 GEEDMN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)C(C)C#N ZINC000569613830 651720532 /nfs/dbraw/zinc/72/05/32/651720532.db2.gz UUMGBFDVWXFEKG-XPTSAGLGSA-N 0 1 378.226 2.290 20 30 GEEDMN CC(=O)Nc1ccsc1C=NNc1ccc(S(=O)(=O)NC(C)C)cn1 ZINC000735406756 651781586 /nfs/dbraw/zinc/78/15/86/651781586.db2.gz NXEXCYAINASIAY-UHFFFAOYSA-N 0 1 381.483 2.234 20 30 GEEDMN C=CCCOC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br ZINC000740199686 651914397 /nfs/dbraw/zinc/91/43/97/651914397.db2.gz UGTHTFWRCHXZMM-UHFFFAOYSA-N 0 1 384.198 2.125 20 30 GEEDMN Cn1ncc(Br)c1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000618723544 652027634 /nfs/dbraw/zinc/02/76/34/652027634.db2.gz LYSSRYFCHNEMDE-UHFFFAOYSA-N 0 1 375.274 2.208 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)CC1 ZINC000748671562 652210948 /nfs/dbraw/zinc/21/09/48/652210948.db2.gz CRHGXIBXHWFCSZ-ZDUSSCGKSA-N 0 1 382.913 2.429 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2ccc(F)cc2Br)CC1 ZINC000748672228 652211087 /nfs/dbraw/zinc/21/10/87/652211087.db2.gz QZTWTEBDDXGKRM-UHFFFAOYSA-N 0 1 389.290 2.354 20 30 GEEDMN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000751276729 652337597 /nfs/dbraw/zinc/33/75/97/652337597.db2.gz WZDJAHKYXMMDGO-UHFFFAOYSA-N 0 1 377.813 2.418 20 30 GEEDMN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000805259597 653108612 /nfs/dbraw/zinc/10/86/12/653108612.db2.gz UWNOAKOXYHRETC-UHFFFAOYSA-N 0 1 382.800 2.349 20 30 GEEDMN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC1=NO[C@@H](C)C1 ZINC000768489508 653114056 /nfs/dbraw/zinc/11/40/56/653114056.db2.gz VPJSQWKKDVZLJZ-ZETCQYMHSA-N 0 1 375.244 2.013 20 30 GEEDMN C[C@H](O)c1ncc(C=NNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)s1 ZINC000773034536 653176624 /nfs/dbraw/zinc/17/66/24/653176624.db2.gz NNYXHRQBXQFBHW-JTQLQIEISA-N 0 1 383.499 2.114 20 30 GEEDMN C[C@@H]1CN(C[C@@H](O)COc2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000602858076 653210432 /nfs/dbraw/zinc/21/04/32/653210432.db2.gz YRJCOOZKTAGRPL-IJEWVQPXSA-N 0 1 382.302 2.107 20 30 GEEDMN C[C@@H]1CN(C[C@H](O)COc2ccc(Br)cc2)C[C@@H](C)N1CC#N ZINC000602858074 653210497 /nfs/dbraw/zinc/21/04/97/653210497.db2.gz YRJCOOZKTAGRPL-FMKPAKJESA-N 0 1 382.302 2.107 20 30 GEEDMN CSC1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000602921873 653215323 /nfs/dbraw/zinc/21/53/23/653215323.db2.gz BAQVLMPHZZNKOI-INIZCTEOSA-N 0 1 378.567 2.284 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000774956086 653274249 /nfs/dbraw/zinc/27/42/49/653274249.db2.gz OBYGVKHEUOZLEC-LBPRGKRZSA-N 0 1 386.315 2.026 20 30 GEEDMN CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000810574882 653346220 /nfs/dbraw/zinc/34/62/20/653346220.db2.gz JLSSOSJUUOSIGD-INIZCTEOSA-N 0 1 387.864 2.229 20 30 GEEDMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000810574882 653346224 /nfs/dbraw/zinc/34/62/24/653346224.db2.gz JLSSOSJUUOSIGD-INIZCTEOSA-N 0 1 387.864 2.229 20 30 GEEDMN CC(=NNC1CCS(=O)(=O)CC1)c1cc(Br)c(F)cc1O ZINC000776793664 653378120 /nfs/dbraw/zinc/37/81/20/653378120.db2.gz QIGVSDPPDPXUEN-UHFFFAOYSA-N 0 1 379.251 2.185 20 30 GEEDMN C=CCCCS(=O)(=O)N[C@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1 ZINC000859244997 653428190 /nfs/dbraw/zinc/42/81/90/653428190.db2.gz QVYPEKKRSZLDKF-GJZGRUSLSA-N 0 1 375.874 2.191 20 30 GEEDMN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H]2C[C@]2(C)Br)cc1 ZINC000860477641 653627845 /nfs/dbraw/zinc/62/78/45/653627845.db2.gz SMPJDEBXUNDRMM-CPUCHLNUSA-N 0 1 379.254 2.236 20 30 GEEDMN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000815082223 653650472 /nfs/dbraw/zinc/65/04/72/653650472.db2.gz GLDBBAWSSWGTKV-UHFFFAOYSA-N 0 1 385.736 2.397 20 30 GEEDMN C#CCNC(=O)CCN1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000815054479 653648575 /nfs/dbraw/zinc/64/85/75/653648575.db2.gz KZZYJKJPVODHEF-OAHLLOKOSA-N 0 1 378.314 2.267 20 30 GEEDMN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000815082223 653650471 /nfs/dbraw/zinc/65/04/71/653650471.db2.gz GLDBBAWSSWGTKV-UHFFFAOYSA-N 0 1 385.736 2.397 20 30 GEEDMN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000815083033 653650497 /nfs/dbraw/zinc/65/04/97/653650497.db2.gz MFABDNIEYMHTHX-UHFFFAOYSA-N 0 1 397.697 2.475 20 30 GEEDMN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000815083033 653650500 /nfs/dbraw/zinc/65/05/00/653650500.db2.gz MFABDNIEYMHTHX-UHFFFAOYSA-N 0 1 397.697 2.475 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000841149705 653707976 /nfs/dbraw/zinc/70/79/76/653707976.db2.gz LEVULPSMXZTVGR-RISCZKNCSA-N 0 1 378.274 2.282 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NCCN2CCN(C)CC2)s1 ZINC000819049950 653741461 /nfs/dbraw/zinc/74/14/61/653741461.db2.gz ZIMYWUGVTGXCGL-UHFFFAOYSA-N 0 1 388.990 2.202 20 30 GEEDMN Cc1nn(C)c(N2CCN(Cc3cccc(Br)c3O)CC2)c1C#N ZINC000788271161 653753539 /nfs/dbraw/zinc/75/35/39/653753539.db2.gz ZRFDGYFVCNCBAL-UHFFFAOYSA-N 0 1 390.285 2.391 20 30 GEEDMN CN(C)C(=S)NN=Cc1ccc(Cl)c(I)c1O ZINC000788715621 653764002 /nfs/dbraw/zinc/76/40/02/653764002.db2.gz NCKRDNIIWUCDFR-UHFFFAOYSA-N 0 1 383.642 2.420 20 30 GEEDMN C#C[C@H](NC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C)c1ccc(Br)cc1 ZINC000820611568 653778114 /nfs/dbraw/zinc/77/81/14/653778114.db2.gz LTNFXVAJQMLBNV-VBQJREDUSA-N 0 1 394.313 2.220 20 30 GEEDMN C#CCn1ccc(CN(CCOC)C(=O)c2cccc(Br)c2O)n1 ZINC000790104073 653786861 /nfs/dbraw/zinc/78/68/61/653786861.db2.gz JRZRHBJALFMOPX-UHFFFAOYSA-N 0 1 392.253 2.273 20 30 GEEDMN C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1ncc[nH]1 ZINC000866782760 653824970 /nfs/dbraw/zinc/82/49/70/653824970.db2.gz YARHPNSZDIBUFK-CYBMUJFWSA-N 0 1 396.266 2.320 20 30 GEEDMN Brc1n[nH]c(Br)c1C=NNCCN1CCCCC1 ZINC000792978635 653858800 /nfs/dbraw/zinc/85/88/00/653858800.db2.gz WWNVCZCCZUAFCL-UHFFFAOYSA-N 0 1 379.100 2.344 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884250317 653869269 /nfs/dbraw/zinc/86/92/69/653869269.db2.gz BTVICJYGQIMVGP-KWQFWETISA-N 0 1 397.323 2.404 20 30 GEEDMN CCc1[nH]nc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1Br ZINC000846329407 653895683 /nfs/dbraw/zinc/89/56/83/653895683.db2.gz OHZDNWLCNFGCJN-CYBMUJFWSA-N 0 1 377.242 2.412 20 30 GEEDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284175 653922737 /nfs/dbraw/zinc/92/27/37/653922737.db2.gz SCBFRCNGJDHIOU-MVIOUDGNSA-N 0 1 382.207 2.281 20 30 GEEDMN C[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)NC(=O)OC(C)(C)C ZINC000795205724 653938885 /nfs/dbraw/zinc/93/88/85/653938885.db2.gz BTHYMOQHDJQIGM-SECBINFHSA-N 0 1 375.397 2.028 20 30 GEEDMN C#CCN1CCN(C(=O)CN2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000795575555 653959661 /nfs/dbraw/zinc/95/96/61/653959661.db2.gz WRISJRKFOYITIN-GOSISDBHSA-N 0 1 377.941 2.284 20 30 GEEDMN O=C1NCCN1CCN=Cc1cc(Br)cc(Br)c1O ZINC000887272375 654028845 /nfs/dbraw/zinc/02/88/45/654028845.db2.gz MDWUHZUTMILCMM-CHHVJCJISA-N 0 1 391.063 2.361 20 30 GEEDMN Cn1nc(Br)c2c1ncnc2N=NCc1cc(C(F)(F)F)[nH]n1 ZINC000799478675 654097667 /nfs/dbraw/zinc/09/76/67/654097667.db2.gz MWBFIYDEJDKNOM-UHFFFAOYSA-N 0 1 389.139 2.314 20 30 GEEDMN CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1[nH]c(C)nc1Br ZINC000901165940 654112754 /nfs/dbraw/zinc/11/27/54/654112754.db2.gz QSSSUPRYFODGTK-UHFFFAOYSA-N 0 1 385.291 2.334 20 30 GEEDMN COC(=O)c1cc(S(=O)(=O)N[C@H](CC#N)C(F)(F)F)c(Cl)cc1F ZINC000901771169 654148024 /nfs/dbraw/zinc/14/80/24/654148024.db2.gz ABURVWRJZJPXFR-SNVBAGLBSA-N 0 1 388.726 2.389 20 30 GEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2cc(C(N)=O)cs2)cc1Cl ZINC000920111082 654203358 /nfs/dbraw/zinc/20/33/58/654203358.db2.gz JBVPZRUYVSMTMM-JTQLQIEISA-N 0 1 377.809 2.470 20 30 GEEDMN CC(=O)N1CCc2sc(S(=O)(=O)Nc3cc(C#N)ccc3F)cc2C1 ZINC000903150469 654221938 /nfs/dbraw/zinc/22/19/38/654221938.db2.gz RSNWAEICXWVEQU-UHFFFAOYSA-N 0 1 379.438 2.464 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000834494945 654330430 /nfs/dbraw/zinc/33/04/30/654330430.db2.gz REVFCFLPIZPEPL-FZMZJTMJSA-N 0 1 389.253 2.264 20 30 GEEDMN Cc1nn(-c2ccc(C(=O)N[C@H]3CNC[C@H]3C#N)cc2)c(C)c1Br ZINC000834516697 654331649 /nfs/dbraw/zinc/33/16/49/654331649.db2.gz KVUUWIVJDDMTQR-HIFRSBDPSA-N 0 1 388.269 2.093 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)Cc1ccccc1Br ZINC000922022218 654356025 /nfs/dbraw/zinc/35/60/25/654356025.db2.gz JQSLFCUAGFKVJG-UHFFFAOYSA-N 0 1 385.327 2.308 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000922021630 654356109 /nfs/dbraw/zinc/35/61/09/654356109.db2.gz AJPJFAKKIIYUNK-UHFFFAOYSA-N 0 1 386.901 2.075 20 30 GEEDMN N#Cc1ccc(Br)c(CN[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c1 ZINC000922135570 654370812 /nfs/dbraw/zinc/37/08/12/654370812.db2.gz RFISOBBUAASEPK-VYDXJSESSA-N 0 1 378.270 2.237 20 30 GEEDMN C#CCN1CCC(C(=O)N2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000855636773 654430237 /nfs/dbraw/zinc/43/02/37/654430237.db2.gz WIHCDLBBOMJKGY-UHFFFAOYSA-N 0 1 390.325 2.443 20 30 GEEDMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)CCN1C ZINC000906981058 654495361 /nfs/dbraw/zinc/49/53/61/654495361.db2.gz MAHVYKFIKSZGHO-AAEUAGOBSA-N 0 1 386.315 2.424 20 30 GEEDMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)CCN1C ZINC000906981061 654495649 /nfs/dbraw/zinc/49/56/49/654495649.db2.gz MAHVYKFIKSZGHO-YPMHNXCESA-N 0 1 386.315 2.424 20 30 GEEDMN N#Cc1cc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1Br ZINC000907054861 654504746 /nfs/dbraw/zinc/50/47/46/654504746.db2.gz VYCGPMRQOULGBO-CYBMUJFWSA-N 0 1 381.255 2.400 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1Br ZINC000928716994 654656468 /nfs/dbraw/zinc/65/64/68/654656468.db2.gz MNBUFRDVKGLYCT-GFCCVEGCSA-N 0 1 389.257 2.464 20 30 GEEDMN C[C@H](C(=O)NC1(C#N)CCN(C)CC1)c1ccc(I)cc1 ZINC000932177917 654769139 /nfs/dbraw/zinc/76/91/39/654769139.db2.gz GEUSXBHMODHPHL-LBPRGKRZSA-N 0 1 397.260 2.499 20 30 GEEDMN O=C1NCCN1CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940998 654795002 /nfs/dbraw/zinc/79/50/02/654795002.db2.gz SSJIQRNFPXHDSE-YUMQZZPRSA-N 0 1 381.267 2.114 20 30 GEEDMN FC1(F)[C@H]2CN(CCN3CCOCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941314 654795057 /nfs/dbraw/zinc/79/50/57/654795057.db2.gz AHFJNDKLDXFPDX-AOOOYVTPSA-N 0 1 382.295 2.421 20 30 GEEDMN CC(C)(C#N)C[C@H](O)CN[C@H](CO)c1ccccc1I ZINC000934827640 654861977 /nfs/dbraw/zinc/86/19/77/654861977.db2.gz YEIBJVIKBFPDIB-SMDDNHRTSA-N 0 1 388.249 2.215 20 30 GEEDMN C#CCN1CCC(NC(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000916085590 654887554 /nfs/dbraw/zinc/88/75/54/654887554.db2.gz PQIJGWSTLNFACT-UHFFFAOYSA-N 0 1 380.286 2.355 20 30 GEEDMN Cc1nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164743038 720621133 /nfs/dbraw/zinc/62/11/33/720621133.db2.gz OKMLXOAGHORTGC-GJZGRUSLSA-N 0 1 384.871 2.355 20 30 GEEDMN Cc1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164743040 720621804 /nfs/dbraw/zinc/62/18/04/720621804.db2.gz OKMLXOAGHORTGC-LSDHHAIUSA-N 0 1 384.871 2.355 20 30 GEEDMN N#Cc1cc(Cl)c(Cl)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739726 720697750 /nfs/dbraw/zinc/69/77/50/720697750.db2.gz PAVBJKNFDVECMT-QWHCGFSZSA-N 0 1 391.262 2.392 20 30 GEEDMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)c(C#N)cc4C#N)C[C@@H]3C2)cn1 ZINC001164769880 721127965 /nfs/dbraw/zinc/12/79/65/721127965.db2.gz PXTGGJFGQONMHB-PBHICJAKSA-N 0 1 381.871 2.170 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)cc(C#N)n4)C3)O2)CC1 ZINC001164887692 721404183 /nfs/dbraw/zinc/40/41/83/721404183.db2.gz MJQDKWNNCWWJQL-QUCCMNQESA-N 0 1 389.931 2.372 20 30 GEEDMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(Cl)c(F)cc2C#N)CC1 ZINC001165008495 721730223 /nfs/dbraw/zinc/73/02/23/721730223.db2.gz PIZUJUDPGHXKOH-UHFFFAOYSA-N 0 1 379.867 2.269 20 30 GEEDMN N#Cc1ncc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982833 722106193 /nfs/dbraw/zinc/10/61/93/722106193.db2.gz PHIPQZADAAKYHI-NVXWUHKLSA-N 0 1 384.871 2.124 20 30 GEEDMN COc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164977381 722110487 /nfs/dbraw/zinc/11/04/87/722110487.db2.gz MVCRJAKCBCCVLP-FXAWDEMLSA-N 0 1 379.464 2.084 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@H](C)N(C)CCOc1ccc(Br)cc1 ZINC000024375306 531602168 /nfs/dbraw/zinc/60/21/68/531602168.db2.gz JYQPMHZQBZERHH-LBPRGKRZSA-N 0 1 384.274 2.160 20 30 GEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000054211501 531775798 /nfs/dbraw/zinc/77/57/98/531775798.db2.gz QJZDIKWWSGMDMJ-OLZOCXBDSA-N 0 1 395.301 2.185 20 30 GEEDMN COc1ccc(C#N)cc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000064478950 531867242 /nfs/dbraw/zinc/86/72/42/531867242.db2.gz VMUKPCQNAMJABK-UHFFFAOYSA-N 0 1 380.447 2.080 20 30 GEEDMN CCN(C)C(=O)CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120982090 532005144 /nfs/dbraw/zinc/00/51/44/532005144.db2.gz VBEQFIGVGYQWQH-QGZVFWFLSA-N 0 1 393.329 2.500 20 30 GEEDMN CN1CCN(c2ncccc2CNc2cc(C#N)c(Br)cn2)CC1 ZINC000603282282 532087414 /nfs/dbraw/zinc/08/74/14/532087414.db2.gz GMABPBWKVATDOS-UHFFFAOYSA-N 0 1 387.285 2.475 20 30 GEEDMN C[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000182061536 532308461 /nfs/dbraw/zinc/30/84/61/532308461.db2.gz JMHXRFQQTJOCSY-HIFRSBDPSA-N 0 1 380.491 2.136 20 30 GEEDMN C[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000182061550 532308531 /nfs/dbraw/zinc/30/85/31/532308531.db2.gz JMHXRFQQTJOCSY-DZGCQCFKSA-N 0 1 380.491 2.136 20 30 GEEDMN CC1(C)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1 ZINC000182835984 532318683 /nfs/dbraw/zinc/31/86/83/532318683.db2.gz YVMZDPIQOMLTSW-OAHLLOKOSA-N 0 1 378.567 2.284 20 30 GEEDMN CN1CC=C(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000295226411 532422912 /nfs/dbraw/zinc/42/29/12/532422912.db2.gz WHHAJYWYMKFYQQ-UHFFFAOYSA-N 0 1 388.262 2.000 20 30 GEEDMN C[C@@H]1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[N@H+]1C ZINC000592767274 532461697 /nfs/dbraw/zinc/46/16/97/532461697.db2.gz SGXSAXXQADWEDG-MLGOLLRUSA-N 0 1 391.313 2.356 20 30 GEEDMN COC(=O)[C@]12CN(Cc3ccc(C#N)cc3Br)C[C@H]1COCC2 ZINC000373796063 532470333 /nfs/dbraw/zinc/47/03/33/532470333.db2.gz HLHSPDZMPBADKY-WMLDXEAASA-N 0 1 379.254 2.332 20 30 GEEDMN CN1CCC(C#N)(NC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000520246598 532486515 /nfs/dbraw/zinc/48/65/15/532486515.db2.gz WWKAYCUDUDIRRB-UHFFFAOYSA-N 0 1 376.254 2.329 20 30 GEEDMN COC(=O)c1ncsc1S(=O)(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594480636 532511283 /nfs/dbraw/zinc/51/12/83/532511283.db2.gz CQQFCLAQZTYSDR-UHFFFAOYSA-N 0 1 377.447 2.159 20 30 GEEDMN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1cccs1 ZINC000246133119 532531807 /nfs/dbraw/zinc/53/18/07/532531807.db2.gz JUNKLCJIFFKIQE-GUYCJALGSA-N 0 1 376.507 2.376 20 30 GEEDMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000595346324 532557647 /nfs/dbraw/zinc/55/76/47/532557647.db2.gz UIOXWJXTIZJUEQ-CQSZACIVSA-N 0 1 386.315 2.426 20 30 GEEDMN C=CCNC(=O)NC(=O)CN1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433310744 532563621 /nfs/dbraw/zinc/56/36/21/532563621.db2.gz DNWYOVAQWDOJDF-CQSZACIVSA-N 0 1 380.286 2.325 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCOc2c(Br)cccc21 ZINC000283573904 532546210 /nfs/dbraw/zinc/54/62/10/532546210.db2.gz QODYOGNWFJSUMT-GWCFXTLKSA-N 0 1 382.258 2.263 20 30 GEEDMN C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000432870213 532547594 /nfs/dbraw/zinc/54/75/94/532547594.db2.gz BJPXOURLCXPKGI-GFCCVEGCSA-N 0 1 386.315 2.331 20 30 GEEDMN C=CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)[N-]CC(F)(F)F ZINC000375995536 532590493 /nfs/dbraw/zinc/59/04/93/532590493.db2.gz RTMGMUTZDCBGQM-HNNXBMFYSA-N 0 1 377.432 2.146 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000376314308 532605761 /nfs/dbraw/zinc/60/57/61/532605761.db2.gz BEZFDCFHQZDAGQ-JTQLQIEISA-N 0 1 396.270 2.007 20 30 GEEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000297917359 532612919 /nfs/dbraw/zinc/61/29/19/532612919.db2.gz SZMIWDHCDOGRAC-AWEZNQCLSA-N 0 1 379.913 2.389 20 30 GEEDMN CN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436549600 532638075 /nfs/dbraw/zinc/63/80/75/532638075.db2.gz XSNNGFFIZPZJIT-UHFFFAOYSA-N 0 1 379.825 2.442 20 30 GEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000462066889 532800574 /nfs/dbraw/zinc/80/05/74/532800574.db2.gz VUVNBUWKJLZEPD-CQSZACIVSA-N 0 1 385.511 2.214 20 30 GEEDMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000331166432 532834793 /nfs/dbraw/zinc/83/47/93/532834793.db2.gz GWLXKYUNBBUCKZ-LSDHHAIUSA-N 0 1 386.315 2.271 20 30 GEEDMN CCc1[nH]nc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000293638589 532929489 /nfs/dbraw/zinc/92/94/89/532929489.db2.gz FZUFZAWSFDOYMD-LLVKDONJSA-N 0 1 390.241 2.295 20 30 GEEDMN N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1Br ZINC000293695591 532930515 /nfs/dbraw/zinc/93/05/15/532930515.db2.gz PMCUCFAEEZWFGT-CYBMUJFWSA-N 0 1 388.225 2.176 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000822833732 607320490 /nfs/dbraw/zinc/32/04/90/607320490.db2.gz VIYBZZKKGLMJEO-UHFFFAOYSA-N 0 1 391.391 2.191 20 30 GEEDMN Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000821088020 598225671 /nfs/dbraw/zinc/22/56/71/598225671.db2.gz MYLHJWQLZMQASK-HXUWFJFHSA-N 0 1 386.452 2.363 20 30 GEEDMN N#Cc1cc(F)ccc1CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737705040 598680453 /nfs/dbraw/zinc/68/04/53/598680453.db2.gz MFOHLSHNCMFDEQ-UHFFFAOYSA-N 0 1 394.414 2.065 20 30 GEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735419285 598764969 /nfs/dbraw/zinc/76/49/69/598764969.db2.gz RJGKEBUHNSJUPQ-INIZCTEOSA-N 0 1 396.495 2.299 20 30 GEEDMN O=C1N/C(=N/C2CCCC2)SC1=Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000738315260 599461981 /nfs/dbraw/zinc/46/19/81/599461981.db2.gz HAFQMYYFUPSFTI-QPEQYQDCSA-N 0 1 380.437 2.017 20 30 GEEDMN COc1ccccc1C(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738114782 600563723 /nfs/dbraw/zinc/56/37/23/600563723.db2.gz FISYQAJCWKBQHW-LJQANCHMSA-N 0 1 379.416 2.151 20 30 GEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000739584763 601969941 /nfs/dbraw/zinc/96/99/41/601969941.db2.gz MLQIAOQAHQNLQQ-HUUCEWRRSA-N 0 1 379.420 2.298 20 30 GEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000739584763 601969945 /nfs/dbraw/zinc/96/99/45/601969945.db2.gz MLQIAOQAHQNLQQ-HUUCEWRRSA-N 0 1 379.420 2.298 20 30 GEEDMN C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(OC)c1 ZINC000823522152 603970373 /nfs/dbraw/zinc/97/03/73/603970373.db2.gz UKGJVOGEWWWJOK-FGTMMUONSA-N 0 1 390.480 2.380 20 30 GEEDMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2CCCOc1ccc(C#N)cc1 ZINC000826294827 607715365 /nfs/dbraw/zinc/71/53/65/607715365.db2.gz FJSUAOSUQGDQRD-UHFFFAOYSA-N 0 1 387.403 2.226 20 30 GEEDMN CCOCC[C@@H](O)CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000444681090 649951485 /nfs/dbraw/zinc/95/14/85/649951485.db2.gz SJRPGOOXJYXQOH-QZTJIDSGSA-N 0 1 396.329 2.419 20 30 GEEDMN C#CCC[NH+]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CC1 ZINC000833362286 605192402 /nfs/dbraw/zinc/19/24/02/605192402.db2.gz JZSIAKGMWJEABV-UHFFFAOYSA-N 0 1 384.263 2.271 20 30 GEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000833835413 605894440 /nfs/dbraw/zinc/89/44/40/605894440.db2.gz YZWMGNLNKJTWHW-NEPJUHHUSA-N 0 1 376.482 2.415 20 30 GEEDMN CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000824352878 608217538 /nfs/dbraw/zinc/21/75/38/608217538.db2.gz QQCRQUSTOPXCDO-UHFFFAOYSA-N 0 1 395.471 2.176 20 30 GEEDMN CCN(C(C)=O)c1nc(C=NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cs1 ZINC000825390796 608535624 /nfs/dbraw/zinc/53/56/24/608535624.db2.gz MUSAFYOIBUDTJL-UHFFFAOYSA-N 0 1 391.848 2.190 20 30 GEEDMN N#Cc1ccc2ncc(CN3CCCN(c4ccccc4-c4nn[nH]n4)CC3)n2c1 ZINC000826386667 608585401 /nfs/dbraw/zinc/58/54/01/608585401.db2.gz NTQRLXRXBHCQRX-UHFFFAOYSA-N 0 1 399.462 2.098 20 30 GEEDMN C=C(C)CN(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823874129 609347547 /nfs/dbraw/zinc/34/75/47/609347547.db2.gz TVYRMCJFIOTLDP-UHFFFAOYSA-N 0 1 397.439 2.366 20 30 GEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000449913572 650055589 /nfs/dbraw/zinc/05/55/89/650055589.db2.gz RQXNJCMKHYWIQT-HNNXBMFYSA-N 0 1 380.286 2.498 20 30 GEEDMN Cc1cc(C[C@@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)n[nH]1 ZINC000450155027 650061358 /nfs/dbraw/zinc/06/13/58/650061358.db2.gz FYRMCNDQFAKPFY-SNVBAGLBSA-N 0 1 377.242 2.479 20 30 GEEDMN COCCN(CCC#N)S(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000511395088 650535774 /nfs/dbraw/zinc/53/57/74/650535774.db2.gz GPTGAZMQLIKAFH-UHFFFAOYSA-N 0 1 381.832 2.128 20 30 GEEDMN N#CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000476224456 650546983 /nfs/dbraw/zinc/54/69/83/650546983.db2.gz VKQKIGKQIFQGTC-UHFFFAOYSA-N 0 1 395.849 2.310 20 30 GEEDMN Cn1cc(CNCCNS(=O)(=O)c2cccc(Cl)c2Cl)cc1C#N ZINC000512861087 650555355 /nfs/dbraw/zinc/55/53/55/650555355.db2.gz MRAVMJXIQSTISJ-UHFFFAOYSA-N 0 1 387.292 2.272 20 30 GEEDMN CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479527153 650605415 /nfs/dbraw/zinc/60/54/15/650605415.db2.gz MRSORNZUVFNJSF-UHFFFAOYSA-N 0 1 385.854 2.384 20 30 GEEDMN C[C@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000519727917 650611514 /nfs/dbraw/zinc/61/15/14/650611514.db2.gz RYLRJSHTANIYBF-SECBINFHSA-N 0 1 378.267 2.078 20 30 GEEDMN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@@H]2CC2(Cl)Cl)cc1OC ZINC000105263357 643201875 /nfs/dbraw/zinc/20/18/75/643201875.db2.gz SDFZPPCSKPLQKN-RYUDHWBXSA-N 0 1 385.247 2.265 20 30 GEEDMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCC2OCCO2)CC1 ZINC000125302634 643704941 /nfs/dbraw/zinc/70/49/41/643704941.db2.gz LWNKPYOSZBXSSK-INIZCTEOSA-N 0 1 380.286 2.394 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000171095117 644307737 /nfs/dbraw/zinc/30/77/37/644307737.db2.gz DLBCEIQWRMTPRJ-AWEZNQCLSA-N 0 1 376.507 2.205 20 30 GEEDMN COc1ccsc1S(=O)(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000177566145 644418469 /nfs/dbraw/zinc/41/84/69/644418469.db2.gz XBONFULKHGAQAJ-UHFFFAOYSA-N 0 1 379.507 2.381 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1N(C)C ZINC000271092162 646172661 /nfs/dbraw/zinc/17/26/61/646172661.db2.gz KMHUZCWHXKPYLM-CHWSQXEVSA-N 0 1 393.456 2.243 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1N1CCCC1 ZINC000275472330 646355010 /nfs/dbraw/zinc/35/50/10/646355010.db2.gz MBBBCCNXEOTGRK-CABCVRRESA-N 0 1 387.477 2.037 20 30 GEEDMN Cn1cc([C@@H]2CN(Cc3ccc(C#N)cc3Br)C[C@H]2CO)cn1 ZINC000277905910 646480617 /nfs/dbraw/zinc/48/06/17/646480617.db2.gz XABUEBDUMIPLJO-HOTGVXAUSA-N 0 1 375.270 2.262 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1Br ZINC000365425881 647667759 /nfs/dbraw/zinc/66/77/59/647667759.db2.gz GHADZVVHMPXNPB-LLVKDONJSA-N 0 1 396.270 2.007 20 30 GEEDMN O=C([C@H]1NC(=O)C[C@@H]1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000365460692 647670315 /nfs/dbraw/zinc/67/03/15/647670315.db2.gz IEONJDIEUAGZIN-FSPLSTOPSA-N 0 1 386.214 2.397 20 30 GEEDMN COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416656347 648203946 /nfs/dbraw/zinc/20/39/46/648203946.db2.gz BZGUCZKLBVXACG-ZDUSSCGKSA-N 0 1 377.447 2.157 20 30 GEEDMN CC1=CCN(CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419694075 648365710 /nfs/dbraw/zinc/36/57/10/648365710.db2.gz PCSDLALQKVTGMN-UHFFFAOYSA-N 0 1 391.269 2.027 20 30 GEEDMN CN(CCC#N)C[C@@H](O)CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000567588572 651628145 /nfs/dbraw/zinc/62/81/45/651628145.db2.gz ABQWXVFWRRNSTP-SWLSCSKDSA-N 0 1 379.810 2.188 20 30 GEEDMN COCCN(CCC#N)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000610387406 651659155 /nfs/dbraw/zinc/65/91/55/651659155.db2.gz NBYXPPXNXGYQBW-UHFFFAOYSA-N 0 1 398.204 2.170 20 30 GEEDMN COCCN(CCC#N)C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000618205721 651997061 /nfs/dbraw/zinc/99/70/61/651997061.db2.gz YOWCULOKYKFDMR-UHFFFAOYSA-N 0 1 378.226 2.293 20 30 GEEDMN Cc1ncsc1C(C)N=Nc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000745201570 652070678 /nfs/dbraw/zinc/07/06/78/652070678.db2.gz XDRXNIWUUNECDS-UHFFFAOYSA-N 0 1 380.495 2.309 20 30 GEEDMN C[C@@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)N1CCCC1 ZINC000577824268 652218764 /nfs/dbraw/zinc/21/87/64/652218764.db2.gz RQDDTGKGYWSFHX-JTQLQIEISA-N 0 1 390.278 2.222 20 30 GEEDMN C[C@@H]1CCN(CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000578026685 652236952 /nfs/dbraw/zinc/23/69/52/652236952.db2.gz PBGHLWOORZEEBE-SNVBAGLBSA-N 0 1 390.278 2.080 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ncc(F)cc2I)o1 ZINC000579399349 652335841 /nfs/dbraw/zinc/33/58/41/652335841.db2.gz AEFKRPXSIAECMQ-UHFFFAOYSA-N 0 1 393.137 2.091 20 30 GEEDMN C=CC[C@@H]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000625701785 652367916 /nfs/dbraw/zinc/36/79/16/652367916.db2.gz AZYYJXLWPANEGS-CYBMUJFWSA-N 0 1 380.286 2.402 20 30 GEEDMN C=CCN(CC(=O)OCC)C(=O)c1cccc(I)c1O ZINC000755609550 652470237 /nfs/dbraw/zinc/47/02/37/652470237.db2.gz NSODSYIKUYOYNK-UHFFFAOYSA-N 0 1 389.189 2.188 20 30 GEEDMN Oc1cc(Br)c(O)c(CN=Nc2ccc(-n3cccn3)nn2)c1 ZINC000755656609 652471564 /nfs/dbraw/zinc/47/15/64/652471564.db2.gz JSANYGHQYUJBEM-UHFFFAOYSA-N 0 1 375.186 2.282 20 30 GEEDMN C=CC[C@@H](CO)CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000584070411 652508220 /nfs/dbraw/zinc/50/82/20/652508220.db2.gz GETKCLLCHCWDSK-LLVKDONJSA-N 0 1 394.273 2.218 20 30 GEEDMN C=CC[C@@H](CO)CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000584070411 652508221 /nfs/dbraw/zinc/50/82/21/652508221.db2.gz GETKCLLCHCWDSK-LLVKDONJSA-N 0 1 394.273 2.218 20 30 GEEDMN N#Cc1cc(Cl)cc(Br)c1N1CCN(Cc2nnc[nH]2)CC1 ZINC000593507467 652623385 /nfs/dbraw/zinc/62/33/85/652623385.db2.gz IZZLESLGCHMTQW-UHFFFAOYSA-N 0 1 381.665 2.414 20 30 GEEDMN N#Cc1cc(Br)ccc1C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594384523 652646816 /nfs/dbraw/zinc/64/68/16/652646816.db2.gz CSQYIUJJGUQTEX-GFCCVEGCSA-N 0 1 376.214 2.220 20 30 GEEDMN COc1cccc(S(C)(=O)=O)c1N=NCc1cnc(C2OCCO2)s1 ZINC000761826432 652658905 /nfs/dbraw/zinc/65/89/05/652658905.db2.gz BQBHVTJDPZMGDT-UHFFFAOYSA-N 0 1 383.451 2.047 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)c(F)c1 ZINC000762532793 652700167 /nfs/dbraw/zinc/70/01/67/652700167.db2.gz ZGONQPMQDPJHHK-FRRDWIJNSA-N 0 1 376.475 2.494 20 30 GEEDMN COC[C@H](CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)OC ZINC000595411213 652724932 /nfs/dbraw/zinc/72/49/32/652724932.db2.gz ZSARVEZWDGNYNN-DLBZAZTESA-N 0 1 382.302 2.293 20 30 GEEDMN C=C(Br)CNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000769077884 653142303 /nfs/dbraw/zinc/14/23/03/653142303.db2.gz SVZOCBOFLUHFSM-HOTGVXAUSA-N 0 1 382.302 2.077 20 30 GEEDMN C=CCNc1ncc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)s1 ZINC000857339767 653313606 /nfs/dbraw/zinc/31/36/06/653313606.db2.gz INNTURJRBWEHBK-ZJUUUORDSA-N 0 1 376.404 2.270 20 30 GEEDMN N#Cc1ccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)cc1Cl ZINC000778538554 653447283 /nfs/dbraw/zinc/44/72/83/653447283.db2.gz KQKNTAGBTUZAFX-UHFFFAOYSA-N 0 1 375.793 2.391 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000779893039 653615139 /nfs/dbraw/zinc/61/51/39/653615139.db2.gz MUCFSHHFLONVEQ-HNNXBMFYSA-N 0 1 383.901 2.133 20 30 GEEDMN COC(=O)[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)O1 ZINC000860472665 653627888 /nfs/dbraw/zinc/62/78/88/653627888.db2.gz CEWNAPUUHXAZSM-BIMULSAOSA-N 0 1 385.203 2.361 20 30 GEEDMN CCc1cnc(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)s1 ZINC000814861891 653640546 /nfs/dbraw/zinc/64/05/46/653640546.db2.gz ZSJXABXZOBIFIB-UHFFFAOYSA-N 0 1 380.495 2.172 20 30 GEEDMN Cc1nsc(NC(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1C#N ZINC000839106316 653642512 /nfs/dbraw/zinc/64/25/12/653642512.db2.gz MHZFPYPXGRSKTJ-SECBINFHSA-N 0 1 375.376 2.246 20 30 GEEDMN C#CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC000840345830 653683323 /nfs/dbraw/zinc/68/33/23/653683323.db2.gz SGVXBARNIHFFOH-MGPQQGTHSA-N 0 1 379.210 2.400 20 30 GEEDMN C[C@@H]1CN(C(=O)c2cccc(I)c2O)C[C@@H](C)N1CC#N ZINC000880455785 653706384 /nfs/dbraw/zinc/70/63/84/653706384.db2.gz CSRGFFBJRPVCGM-GHMZBOCLSA-N 0 1 399.232 2.055 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000841142520 653707528 /nfs/dbraw/zinc/70/75/28/653707528.db2.gz RHBGYSQZWRYUMH-HQJQHLMTSA-N 0 1 390.612 2.178 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000817392386 653710138 /nfs/dbraw/zinc/71/01/38/653710138.db2.gz PONYJXYMHCZRKY-UHFFFAOYSA-N 0 1 376.400 2.193 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000787740920 653743175 /nfs/dbraw/zinc/74/31/75/653743175.db2.gz XKDOORZMLWIOHB-INIZCTEOSA-N 0 1 394.313 2.355 20 30 GEEDMN COc1cc(CNCCNC(=O)C2N=CC=CC2=O)c(F)cc1Br ZINC000865463419 653766194 /nfs/dbraw/zinc/76/61/94/653766194.db2.gz ZZBQSFUBXIWPTO-NXVVXOECSA-N 0 1 398.232 2.213 20 30 GEEDMN C#C[C@H](NC(=O)N1CCN(C[C@H](C)O)C[C@H]1C)c1ccc(Br)cc1 ZINC000820611567 653777970 /nfs/dbraw/zinc/77/79/70/653777970.db2.gz LTNFXVAJQMLBNV-KEYYUXOJSA-N 0 1 394.313 2.220 20 30 GEEDMN C#C[C@H](NC(=O)N1C[C@H](C)N(CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000820612710 653778496 /nfs/dbraw/zinc/77/84/96/653778496.db2.gz ZYGUMJMVEWENBA-VBQJREDUSA-N 0 1 394.313 2.220 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000843462060 653787592 /nfs/dbraw/zinc/78/75/92/653787592.db2.gz ZKKATZHWFFXYRF-XPTSAGLGSA-N 0 1 381.219 2.402 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000822423356 653827242 /nfs/dbraw/zinc/82/72/42/653827242.db2.gz KHQFFFAMVQNICT-UHFFFAOYSA-N 0 1 393.161 2.280 20 30 GEEDMN N#CC1CCC(CNC(=O)c2cnc(I)c(O)c2)CC1 ZINC000822690084 653836466 /nfs/dbraw/zinc/83/64/66/653836466.db2.gz LFSRLEIGTSDWRL-UHFFFAOYSA-N 0 1 385.205 2.452 20 30 GEEDMN C=CCC1(NC(=O)c2cnc(I)c(O)c2)CCOCC1 ZINC000824502489 653898492 /nfs/dbraw/zinc/89/84/92/653898492.db2.gz FKUIXPHCPCREKJ-UHFFFAOYSA-N 0 1 388.205 2.247 20 30 GEEDMN N#Cc1ncn(CC/N=C/c2cc(Br)cc(Br)c2O)n1 ZINC000794676303 653916639 /nfs/dbraw/zinc/91/66/39/653916639.db2.gz MADQSMFWWSSGCA-OMCISZLKSA-N 0 1 399.046 2.499 20 30 GEEDMN CCC(=NNCCN1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000794853869 653922254 /nfs/dbraw/zinc/92/22/54/653922254.db2.gz UZQBCCQTXHPXJW-UHFFFAOYSA-N 0 1 386.949 2.438 20 30 GEEDMN Cc1nn[nH]c1C(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286756 653922766 /nfs/dbraw/zinc/92/27/66/653922766.db2.gz HXLIRQFZLMQTMM-OLQVQODUSA-N 0 1 378.223 2.356 20 30 GEEDMN C=CCn1c(C)nnc1SCC(=O)C1(NC(=O)C(F)(F)F)CCCC1 ZINC000828619571 654044021 /nfs/dbraw/zinc/04/40/21/654044021.db2.gz IGSRPQHFXIMROT-UHFFFAOYSA-N 0 1 376.404 2.425 20 30 GEEDMN C=CCC[C@@H](CO)NS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000916153394 654085762 /nfs/dbraw/zinc/08/57/62/654085762.db2.gz FKLZFLQMCKLHGZ-BSNNYGBQSA-N 0 1 386.417 2.195 20 30 GEEDMN N#CC[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)C(F)(F)F ZINC000901771800 654148121 /nfs/dbraw/zinc/14/81/21/654148121.db2.gz LYZUFEHTUFQESX-SNVBAGLBSA-N 0 1 382.161 2.444 20 30 GEEDMN C=C(Cl)C[C@H](NS(=O)(=O)Cc1noc2c1CCCC2)C(=O)OCC ZINC000918543185 654154344 /nfs/dbraw/zinc/15/43/44/654154344.db2.gz COZDVUCVVDWKHX-LBPRGKRZSA-N 0 1 376.862 2.047 20 30 GEEDMN CCCOc1c(Br)cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1OC ZINC000834506750 654330631 /nfs/dbraw/zinc/33/06/31/654330631.db2.gz VOHRZIQWRROUFX-WCQYABFASA-N 0 1 382.258 2.088 20 30 GEEDMN CCOc1cc(Br)c(CC(=O)N[C@@H]2CNC[C@H]2C#N)cc1OCC ZINC000834512578 654331260 /nfs/dbraw/zinc/33/12/60/654331260.db2.gz YVXSJPCCNMJGTH-TZMCWYRMSA-N 0 1 396.285 2.017 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(F)ccc1Br ZINC000922022861 654355893 /nfs/dbraw/zinc/35/58/93/654355893.db2.gz CDPVHVRUDGDWIY-UHFFFAOYSA-N 0 1 389.290 2.306 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000922022044 654355911 /nfs/dbraw/zinc/35/59/11/654355911.db2.gz FEEOBVBSTUSIRR-UHFFFAOYSA-N 0 1 389.836 2.105 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCOc2ccc(Br)cc21 ZINC000905852592 654384961 /nfs/dbraw/zinc/38/49/61/654384961.db2.gz JKLHSHSPOKWNSA-GWCFXTLKSA-N 0 1 382.258 2.263 20 30 GEEDMN C=CCOc1c(Cl)cc(CNC[C@@]2(OC)CCS(=O)(=O)C2)cc1OC ZINC000922617235 654403528 /nfs/dbraw/zinc/40/35/28/654403528.db2.gz HMUHHFGPHLDFMP-KRWDZBQOSA-N 0 1 389.901 2.207 20 30 GEEDMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907240081 654523023 /nfs/dbraw/zinc/52/30/23/654523023.db2.gz OVTBQLXPVCBXSS-ZDUSSCGKSA-N 0 1 386.315 2.424 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000928658704 654655177 /nfs/dbraw/zinc/65/51/77/654655177.db2.gz ZEFOWPHOQTXDJF-UHFFFAOYSA-N 0 1 387.281 2.462 20 30 GEEDMN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCC#CCN(C)C ZINC000913520575 654797052 /nfs/dbraw/zinc/79/70/52/654797052.db2.gz SVBGZDZDLFMWNV-UHFFFAOYSA-N 0 1 375.270 2.238 20 30 GEEDMN Cc1nn(C)c(Cl)c1C=NNc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000914700535 654856387 /nfs/dbraw/zinc/85/63/87/654856387.db2.gz XSADODOBIFHUII-UHFFFAOYSA-N 0 1 382.877 2.007 20 30 GEEDMN N#Cc1ccc(-c2ccncc2)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739372 720754027 /nfs/dbraw/zinc/75/40/27/720754027.db2.gz IJHYPKFBAIYHQE-RTBURBONSA-N 0 1 399.458 2.147 20 30 GEEDMN N#Cc1ccc([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907315 721532255 /nfs/dbraw/zinc/53/22/55/721532255.db2.gz MXSBXKRMSXTTCZ-RDJZCZTQSA-N 0 1 383.383 2.342 20 30 GEEDMN Cc1ncc(C#N)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164963166 722054684 /nfs/dbraw/zinc/05/46/84/722054684.db2.gz HULGQLYVIMZKSD-UHFFFAOYSA-N 0 1 378.480 2.171 20 30 GEEDMN N#CCCCS(=O)(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000153249724 531594101 /nfs/dbraw/zinc/59/41/01/531594101.db2.gz DAAMKMSDRDNODI-UHFFFAOYSA-N 0 1 385.917 2.406 20 30 GEEDMN C#CCCOc1ccc(CNC[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000129291719 532175876 /nfs/dbraw/zinc/17/58/76/532175876.db2.gz KUNKHPOCSSLYQC-INIZCTEOSA-N 0 1 379.503 2.075 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)NCCN1CCCCCC1 ZINC000557787970 532372496 /nfs/dbraw/zinc/37/24/96/532372496.db2.gz ZLGHMNZNKIKUTI-UHFFFAOYSA-N 0 1 386.315 2.475 20 30 GEEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 ZINC000463787096 532381922 /nfs/dbraw/zinc/38/19/22/532381922.db2.gz ABLIVGRGHIYPIY-UHFFFAOYSA-N 0 1 380.447 2.080 20 30 GEEDMN CCN1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)CC1 ZINC000425770355 532393588 /nfs/dbraw/zinc/39/35/88/532393588.db2.gz OWVKXNUMMZAETQ-UHFFFAOYSA-N 0 1 393.285 2.122 20 30 GEEDMN N#Cc1cc(Br)ccc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000295125726 532406369 /nfs/dbraw/zinc/40/63/69/532406369.db2.gz MZNUOZDKHYNGOM-UHFFFAOYSA-N 0 1 378.270 2.258 20 30 GEEDMN CN(CCN1CCCCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000593667358 532494384 /nfs/dbraw/zinc/49/43/84/532494384.db2.gz YDSPAQUXHWCMRI-UHFFFAOYSA-N 0 1 386.315 2.427 20 30 GEEDMN CC(C)(C#N)c1ccc(CNC[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000594504808 532512634 /nfs/dbraw/zinc/51/26/34/532512634.db2.gz LCTBKEZGXQKOOY-INIZCTEOSA-N 0 1 378.519 2.474 20 30 GEEDMN CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000246662159 532542887 /nfs/dbraw/zinc/54/28/87/532542887.db2.gz WLEGVGZLJGQSKH-MNDBLIDSSA-N 0 1 376.450 2.195 20 30 GEEDMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000595345488 532557981 /nfs/dbraw/zinc/55/79/81/532557981.db2.gz QDMAZJLHYWYQLE-AWEZNQCLSA-N 0 1 386.315 2.426 20 30 GEEDMN CN(CCC#N)C[C@@H](O)CNCc1cc(Br)ccc1OC(F)F ZINC000566109772 532593671 /nfs/dbraw/zinc/59/36/71/532593671.db2.gz UAIXEZGEYQRXAH-ZDUSSCGKSA-N 0 1 392.244 2.346 20 30 GEEDMN CC1(C)Oc2ccsc2[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)[C@@H]1O ZINC000567453409 532653817 /nfs/dbraw/zinc/65/38/17/532653817.db2.gz BETFQPKZROEMAK-HIFRSBDPSA-N 0 1 382.438 2.310 20 30 GEEDMN COc1ncc(Br)cc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600756557 532681840 /nfs/dbraw/zinc/68/18/40/532681840.db2.gz RJADYQZVHBNTHV-OAHLLOKOSA-N 0 1 392.253 2.254 20 30 GEEDMN CCOCCOc1ccc(Br)cc1CNCCn1cnc(C#N)n1 ZINC000285577828 532693945 /nfs/dbraw/zinc/69/39/45/532693945.db2.gz TUNKIJDAYXCKQE-UHFFFAOYSA-N 0 1 394.273 2.117 20 30 GEEDMN C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)N1CCc2sccc2C1 ZINC000301359720 532749374 /nfs/dbraw/zinc/74/93/74/532749374.db2.gz PSUUURDKGOZQSG-GFCCVEGCSA-N 0 1 376.507 2.126 20 30 GEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000286727362 532764978 /nfs/dbraw/zinc/76/49/78/532764978.db2.gz XPBYXICKZGYKMH-DYVFJYSZSA-N 0 1 382.302 2.254 20 30 GEEDMN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC000549636675 532796500 /nfs/dbraw/zinc/79/65/00/532796500.db2.gz RQVAUJOAFRMOBH-YOEHRIQHSA-N 0 1 384.571 2.327 20 30 GEEDMN O=C(NCCS(=O)(=O)N1CCSCC1)c1c(O)cc(Cl)cc1Cl ZINC000331231192 532836266 /nfs/dbraw/zinc/83/62/66/532836266.db2.gz HZKYFWQOZBCXBV-UHFFFAOYSA-N 0 1 399.321 2.382 20 30 GEEDMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331430360 532839173 /nfs/dbraw/zinc/83/91/73/532839173.db2.gz CAZRYNCMKPBEOZ-MEBBXXQBSA-N 0 1 384.299 2.082 20 30 GEEDMN C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000331600581 532842007 /nfs/dbraw/zinc/84/20/07/532842007.db2.gz ZEFMPTZJBMQHBR-HZMBPMFUSA-N 0 1 384.299 2.082 20 30 GEEDMN C=CCCCCNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000274549194 532851604 /nfs/dbraw/zinc/85/16/04/532851604.db2.gz GTNFDCZAACBXSJ-UHFFFAOYSA-N 0 1 376.500 2.091 20 30 GEEDMN CN(CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[C@H]1CCSC1 ZINC000333124984 532864183 /nfs/dbraw/zinc/86/41/83/532864183.db2.gz HUFNAGYTABXINN-HNNXBMFYSA-N 0 1 378.929 2.298 20 30 GEEDMN CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@@H]21 ZINC000371505562 532948379 /nfs/dbraw/zinc/94/83/79/532948379.db2.gz KBQPDVOMOXGLIO-DOMZBBRYSA-N 0 1 384.299 2.035 20 30 GEEDMN C=CCN(CCn1cnc2ccccc2c1=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418936 599232249 /nfs/dbraw/zinc/23/22/49/599232249.db2.gz LWHNQYDFFFUQIA-UHFFFAOYSA-N 0 1 387.447 2.265 20 30 GEEDMN CC(C)(C)OC(=O)N1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[nH]n2)C1 ZINC000735623673 598276630 /nfs/dbraw/zinc/27/66/30/598276630.db2.gz KTRUPCQJTBJOBI-UHFFFAOYSA-N 0 1 376.421 2.171 20 30 GEEDMN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000737470491 599838695 /nfs/dbraw/zinc/83/86/95/599838695.db2.gz DBZCREDISIPOMV-UHFFFAOYSA-N 0 1 392.415 2.110 20 30 GEEDMN C[N@H+](Cc1ccc(C(=O)[O-])cc1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000737470491 599838697 /nfs/dbraw/zinc/83/86/97/599838697.db2.gz DBZCREDISIPOMV-UHFFFAOYSA-N 0 1 392.415 2.110 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@H+](CCC(=O)[O-])C[C@@H]2CCCO2)sc2c1CCC2 ZINC000739091819 600516476 /nfs/dbraw/zinc/51/64/76/600516476.db2.gz BSJWXKNERPMLBX-ZDUSSCGKSA-N 0 1 391.493 2.393 20 30 GEEDMN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000739107165 600564179 /nfs/dbraw/zinc/56/41/79/600564179.db2.gz VKIZTYDXRAXHPB-GOSISDBHSA-N 0 1 385.370 2.420 20 30 GEEDMN N#CCn1c(=O)c2ccccc2nc1C[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000833069191 600992048 /nfs/dbraw/zinc/99/20/48/600992048.db2.gz OZKZXVWVNBXZPN-UHFFFAOYSA-N 0 1 376.416 2.397 20 30 GEEDMN N#CCn1c(=O)c2ccccc2nc1C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000833069191 600992050 /nfs/dbraw/zinc/99/20/50/600992050.db2.gz OZKZXVWVNBXZPN-UHFFFAOYSA-N 0 1 376.416 2.397 20 30 GEEDMN CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000830290301 601028451 /nfs/dbraw/zinc/02/84/51/601028451.db2.gz LBOIEMFKSSXILO-PXNSSMCTSA-N 0 1 396.447 2.357 20 30 GEEDMN CCN1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cn2)CC1 ZINC000829780026 601301163 /nfs/dbraw/zinc/30/11/63/601301163.db2.gz AJEAXVCWUKHEDW-FQEVSTJZSA-N 0 1 379.464 2.011 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](CC(=O)[O-])C2)sc2c1CCCC2 ZINC000833068469 601572650 /nfs/dbraw/zinc/57/26/50/601572650.db2.gz YFOQLVULVMZLSD-GFCCVEGCSA-N 0 1 377.466 2.003 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](CC(=O)[O-])C2)sc2c1CCCC2 ZINC000833068469 601572652 /nfs/dbraw/zinc/57/26/52/601572652.db2.gz YFOQLVULVMZLSD-GFCCVEGCSA-N 0 1 377.466 2.003 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](CC(=O)[O-])C2CC2)c1C#N ZINC000832849374 601580247 /nfs/dbraw/zinc/58/02/47/601580247.db2.gz FNOJDYHUGTZVLS-UHFFFAOYSA-N 0 1 384.436 2.496 20 30 GEEDMN N#Cc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000833073106 601733148 /nfs/dbraw/zinc/73/31/48/601733148.db2.gz VRDFTMHYCLMWDN-JOCHJYFZSA-N 0 1 377.444 2.336 20 30 GEEDMN Cc1cc(N(CCC#N)C(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)ccc1Cl ZINC000832889758 601868633 /nfs/dbraw/zinc/86/86/33/601868633.db2.gz STMVRRJCRAPMKJ-UHFFFAOYSA-N 0 1 393.871 2.461 20 30 GEEDMN Cc1cc(N(CCC#N)C(=O)C[N@@H+](CC(=O)[O-])C2CCOCC2)ccc1Cl ZINC000832889758 601868635 /nfs/dbraw/zinc/86/86/35/601868635.db2.gz STMVRRJCRAPMKJ-UHFFFAOYSA-N 0 1 393.871 2.461 20 30 GEEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738641112 602530187 /nfs/dbraw/zinc/53/01/87/602530187.db2.gz XKCWPLWXQSQKFN-NEPJUHHUSA-N 0 1 376.482 2.367 20 30 GEEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738641112 602530189 /nfs/dbraw/zinc/53/01/89/602530189.db2.gz XKCWPLWXQSQKFN-NEPJUHHUSA-N 0 1 376.482 2.367 20 30 GEEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738641120 602530611 /nfs/dbraw/zinc/53/06/11/602530611.db2.gz XKCWPLWXQSQKFN-RYUDHWBXSA-N 0 1 376.482 2.367 20 30 GEEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738641120 602530612 /nfs/dbraw/zinc/53/06/12/602530612.db2.gz XKCWPLWXQSQKFN-RYUDHWBXSA-N 0 1 376.482 2.367 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739978221 602530968 /nfs/dbraw/zinc/53/09/68/602530968.db2.gz SOUQDICTDUURTI-HOTGVXAUSA-N 0 1 388.468 2.262 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739978221 602530969 /nfs/dbraw/zinc/53/09/69/602530969.db2.gz SOUQDICTDUURTI-HOTGVXAUSA-N 0 1 388.468 2.262 20 30 GEEDMN C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(OC)c1 ZINC000823522153 603970322 /nfs/dbraw/zinc/97/03/22/603970322.db2.gz UKGJVOGEWWWJOK-SQNIBIBYSA-N 0 1 390.480 2.380 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831075800 603987484 /nfs/dbraw/zinc/98/74/84/603987484.db2.gz DBGHVNYLFQFOMQ-PMPSAXMXSA-N 0 1 391.431 2.440 20 30 GEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000833572812 604861217 /nfs/dbraw/zinc/86/12/17/604861217.db2.gz CZNLSVHWOUYDLC-IIBYNOLFSA-N 0 1 398.463 2.106 20 30 GEEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000833623778 605158541 /nfs/dbraw/zinc/15/85/41/605158541.db2.gz GGWNAGKFOQVGOL-HNNXBMFYSA-N 0 1 394.431 2.367 20 30 GEEDMN N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833973535 605515125 /nfs/dbraw/zinc/51/51/25/605515125.db2.gz ARPIDELAHFXUOB-RDTXWAMCSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1 ZINC000833973535 605515129 /nfs/dbraw/zinc/51/51/29/605515129.db2.gz ARPIDELAHFXUOB-RDTXWAMCSA-N 0 1 388.443 2.168 20 30 GEEDMN C#CCN(CC#C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819698036 606450850 /nfs/dbraw/zinc/45/08/50/606450850.db2.gz QJEADEVGJSJRTQ-UHFFFAOYSA-N 0 1 382.493 2.094 20 30 GEEDMN CN(C)c1ccc(C(N)=NOCCCOc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821589627 606837621 /nfs/dbraw/zinc/83/76/21/606837621.db2.gz WLSHOPLERNPBDW-UHFFFAOYSA-N 0 1 381.440 2.039 20 30 GEEDMN N#Cc1csc(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826387640 609600132 /nfs/dbraw/zinc/60/01/32/609600132.db2.gz HVBPHBWAXJURPX-MRXNPFEDSA-N 0 1 379.449 2.085 20 30 GEEDMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000448606155 650017718 /nfs/dbraw/zinc/01/77/18/650017718.db2.gz SXNSBVKMGSGKTF-HNNXBMFYSA-N 0 1 380.286 2.407 20 30 GEEDMN C=CCC[C@H](CO)NC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000458416766 650402942 /nfs/dbraw/zinc/40/29/42/650402942.db2.gz FGBFHNULMGHFIY-CYBMUJFWSA-N 0 1 394.273 2.361 20 30 GEEDMN C=CCC[C@H](CO)NC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000458416766 650402943 /nfs/dbraw/zinc/40/29/43/650402943.db2.gz FGBFHNULMGHFIY-CYBMUJFWSA-N 0 1 394.273 2.361 20 30 GEEDMN Cc1ccc(-c2csc(C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000505662037 650439834 /nfs/dbraw/zinc/43/98/34/650439834.db2.gz NXOMLBNYPJBPJM-UONOGXRCSA-N 0 1 375.475 2.029 20 30 GEEDMN CNc1ccc(C#N)cc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000507921319 650469572 /nfs/dbraw/zinc/46/95/72/650469572.db2.gz MWIWURRARQTSCN-UHFFFAOYSA-N 0 1 378.797 2.489 20 30 GEEDMN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000515628593 650593151 /nfs/dbraw/zinc/59/31/51/650593151.db2.gz UKVHTOMFORXTKT-UHFFFAOYSA-N 0 1 399.881 2.263 20 30 GEEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCCC(N)=O)cc2)c1 ZINC000479528813 650605832 /nfs/dbraw/zinc/60/58/32/650605832.db2.gz PCGHVVYOECMBBO-UHFFFAOYSA-N 0 1 379.825 2.267 20 30 GEEDMN C[C@@H](CC[NH+](C)C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000519727985 650611588 /nfs/dbraw/zinc/61/15/88/650611588.db2.gz RYLRJSHTANIYBF-VIFPVBQESA-N 0 1 378.267 2.078 20 30 GEEDMN C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H](C)S1 ZINC000539368896 650843408 /nfs/dbraw/zinc/84/34/08/650843408.db2.gz WMFBRRHSVQEAMV-OWCLPIDISA-N 0 1 378.567 2.283 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(N)=O)c(Cl)c1 ZINC000183097610 644979710 /nfs/dbraw/zinc/97/97/10/644979710.db2.gz QPWUMTJINGUYPA-UHFFFAOYSA-N 0 1 376.825 2.454 20 30 GEEDMN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271717711 646224327 /nfs/dbraw/zinc/22/43/27/646224327.db2.gz CMYBQNHDYRYRGA-JBEBIEQOSA-N 0 1 376.503 2.420 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1N1CCCC1 ZINC000275487724 646356905 /nfs/dbraw/zinc/35/69/05/646356905.db2.gz ORIGRSZJIAZQOU-HUUCEWRRSA-N 0 1 385.942 2.412 20 30 GEEDMN C=CCN1CC[C@H](N(C)C(=O)c2[nH]nc3ccc(Br)cc32)C1=O ZINC000281579176 646784531 /nfs/dbraw/zinc/78/45/31/646784531.db2.gz BHGUWXPRLZFLQG-ZDUSSCGKSA-N 0 1 377.242 2.184 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000296150648 647245659 /nfs/dbraw/zinc/24/56/59/647245659.db2.gz JTGLEYJYOHXYHZ-LBPRGKRZSA-N 0 1 396.270 2.355 20 30 GEEDMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419633137 648358780 /nfs/dbraw/zinc/35/87/80/648358780.db2.gz AVZDERRKBJIUNJ-UHFFFAOYSA-N 0 1 390.241 2.040 20 30 GEEDMN C=CCOc1c(Br)cc(CN[C@@H]2CCC(=O)N(C)C2=O)cc1OC ZINC000424214265 648619275 /nfs/dbraw/zinc/61/92/75/648619275.db2.gz XGPXHWCACISUCP-CYBMUJFWSA-N 0 1 397.269 2.260 20 30 GEEDMN Cn1nc(Br)c2c1ncnc2NN=C1C(=O)Nc2cc(F)ccc21 ZINC000726738725 651500970 /nfs/dbraw/zinc/50/09/70/651500970.db2.gz BIHCFSZOCYSRNU-UHFFFAOYSA-N 0 1 390.176 2.033 20 30 GEEDMN N#CCn1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cn1 ZINC000728506320 651544751 /nfs/dbraw/zinc/54/47/51/651544751.db2.gz JXSLAHJXMATIOH-UHFFFAOYSA-N 0 1 377.170 2.248 20 30 GEEDMN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCS(C)(=O)=O ZINC000731288423 651624310 /nfs/dbraw/zinc/62/43/10/651624310.db2.gz UYXAVUGKSFSGCF-NSHDSACASA-N 0 1 386.857 2.129 20 30 GEEDMN C=CCOCCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000611560160 651729955 /nfs/dbraw/zinc/72/99/55/651729955.db2.gz ZQHKBVHKLWYHCJ-UHFFFAOYSA-N 0 1 398.200 2.065 20 30 GEEDMN COc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1 ZINC000616947327 651919054 /nfs/dbraw/zinc/91/90/54/651919054.db2.gz COVQAGDWLLPQID-GFCCVEGCSA-N 0 1 380.447 2.182 20 30 GEEDMN CN(CC(=O)Nc1cc(C#N)ccc1O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000748411580 652202276 /nfs/dbraw/zinc/20/22/76/652202276.db2.gz UISNDJAGDNWISF-UHFFFAOYSA-N 0 1 379.825 2.176 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br ZINC000754380987 652434665 /nfs/dbraw/zinc/43/46/65/652434665.db2.gz YKKUGHSXOVJNHJ-JTQLQIEISA-N 0 1 398.261 2.066 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000756548960 652500736 /nfs/dbraw/zinc/50/07/36/652500736.db2.gz CULAYANWQNUFNJ-INIZCTEOSA-N 0 1 393.281 2.210 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCNCc2ccc(Br)s2)nc1 ZINC000584685170 652525589 /nfs/dbraw/zinc/52/55/89/652525589.db2.gz MIZOZFBJXVJTEQ-UHFFFAOYSA-N 0 1 386.296 2.341 20 30 GEEDMN Cc1nc(CN2CCN(Cc3ccc(Br)cc3C#N)CC2)n[nH]1 ZINC000588203144 652550449 /nfs/dbraw/zinc/55/04/49/652550449.db2.gz JXPYKSCFVPTZIQ-UHFFFAOYSA-N 0 1 375.274 2.065 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 ZINC000759718433 652584576 /nfs/dbraw/zinc/58/45/76/652584576.db2.gz WWMGKLSMGNERCM-UHFFFAOYSA-N 0 1 377.447 2.362 20 30 GEEDMN CC(C)CN1CCO[C@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593390494 652619307 /nfs/dbraw/zinc/61/93/07/652619307.db2.gz DYTMSAIGVCLNNU-QGZVFWFLSA-N 0 1 394.313 2.336 20 30 GEEDMN N#Cc1cnc2c(Br)cccc2c1N1CCN(Cc2nnc[nH]2)CC1 ZINC000593507239 652623342 /nfs/dbraw/zinc/62/33/42/652623342.db2.gz HFJKFGYKNOYQRU-UHFFFAOYSA-N 0 1 398.268 2.309 20 30 GEEDMN N#Cc1ncn(CCNCc2cc(Cl)ccc2I)n1 ZINC000594939721 652697654 /nfs/dbraw/zinc/69/76/54/652697654.db2.gz DHFWUYLSVVPDOY-UHFFFAOYSA-N 0 1 387.612 2.198 20 30 GEEDMN N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000597608523 652783330 /nfs/dbraw/zinc/78/33/30/652783330.db2.gz BMQWGZAHPKYBHS-VIFPVBQESA-N 0 1 377.198 2.429 20 30 GEEDMN C=CCOCCCNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000598209342 652806646 /nfs/dbraw/zinc/80/66/46/652806646.db2.gz SZUIWFSEGIKAJZ-UHFFFAOYSA-N 0 1 385.205 2.490 20 30 GEEDMN C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1)n1cnc(C#N)n1 ZINC000600470175 652917620 /nfs/dbraw/zinc/91/76/20/652917620.db2.gz GXXMHVZPTCVFED-YGRLFVJLSA-N 0 1 381.267 2.437 20 30 GEEDMN C#CCN(CC)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000771655043 653123118 /nfs/dbraw/zinc/12/31/18/653123118.db2.gz VETZVXJEPLDZSD-UHFFFAOYSA-N 0 1 380.185 2.228 20 30 GEEDMN C=CCN1CC[C@H](n2cc([C@@H](N)c3ccc(Br)cc3)nn2)C1=O ZINC000641109119 653157748 /nfs/dbraw/zinc/15/77/48/653157748.db2.gz PMQVLARHDKDYKT-GJZGRUSLSA-N 0 1 376.258 2.048 20 30 GEEDMN C=CCCn1cc(Cn2cc([C@H](N)c3ccc(Br)cc3)nn2)nn1 ZINC000641182597 653166648 /nfs/dbraw/zinc/16/66/48/653166648.db2.gz RBFCAZJFPVZKLM-MRXNPFEDSA-N 0 1 388.273 2.305 20 30 GEEDMN CC(N=Nc1ccccc1S(N)(=O)=O)c1ncc(Br)cc1F ZINC000773113915 653181879 /nfs/dbraw/zinc/18/18/79/653181879.db2.gz OPILCBIGVSRBNB-UHFFFAOYSA-N 0 1 387.234 2.467 20 30 GEEDMN CON(C)C(=O)CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000808741382 653234547 /nfs/dbraw/zinc/23/45/47/653234547.db2.gz FQRUGKVELSTYJG-MRXNPFEDSA-N 0 1 395.301 2.041 20 30 GEEDMN Cc1cc(Br)c(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1Br ZINC000876801775 653448561 /nfs/dbraw/zinc/44/85/61/653448561.db2.gz INPXOGLBSZNEJS-UFBFGSQYSA-N 0 1 387.075 2.361 20 30 GEEDMN CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(Cl)cs3)nc2)CC1 ZINC000782152325 653655590 /nfs/dbraw/zinc/65/55/90/653655590.db2.gz SUZXGQKRJZDFSY-UHFFFAOYSA-N 0 1 399.929 2.179 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 ZINC000840951966 653703426 /nfs/dbraw/zinc/70/34/26/653703426.db2.gz PAPNDGULPPMVGX-UHFFFAOYSA-N 0 1 383.901 2.064 20 30 GEEDMN C[C@@H]1CN(C(=O)c2cccc(I)c2O)C[C@H](C)N1CC#N ZINC000880455786 653706438 /nfs/dbraw/zinc/70/64/38/653706438.db2.gz CSRGFFBJRPVCGM-PHIMTYICSA-N 0 1 399.232 2.055 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000841225971 653711108 /nfs/dbraw/zinc/71/11/08/653711108.db2.gz LWSZSTHXISVWHF-WPRPVWTQSA-N 0 1 393.270 2.201 20 30 GEEDMN Cn1nc(Br)cc1CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000785515489 653711117 /nfs/dbraw/zinc/71/11/17/653711117.db2.gz ZBNDLCFMJUVJFU-HNNXBMFYSA-N 0 1 388.269 2.339 20 30 GEEDMN C#CCN1CCC(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000863578596 653716140 /nfs/dbraw/zinc/71/61/40/653716140.db2.gz POOZOVCMKKTPER-QZTJIDSGSA-N 0 1 391.309 2.429 20 30 GEEDMN COc1cc(I)ccc1C(=O)NC1(C#N)CCN(C)CC1 ZINC000865198219 653756873 /nfs/dbraw/zinc/75/68/73/653756873.db2.gz IAPOOENGUPPVBN-UHFFFAOYSA-N 0 1 399.232 2.018 20 30 GEEDMN C#C[C@H](NC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C)c1ccc(Br)cc1 ZINC000820612709 653778511 /nfs/dbraw/zinc/77/85/11/653778511.db2.gz ZYGUMJMVEWENBA-KEYYUXOJSA-N 0 1 394.313 2.220 20 30 GEEDMN O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000882559636 653788226 /nfs/dbraw/zinc/78/82/26/653788226.db2.gz CWUZJFLHAQUQBF-MRVPVSSYSA-N 0 1 378.200 2.361 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)[C@H](C)N2CCCCCC2)c(=O)c1C#N ZINC000791170735 653804348 /nfs/dbraw/zinc/80/43/48/653804348.db2.gz BGSHJSXDUXXNDT-ZDUSSCGKSA-N 0 1 395.301 2.434 20 30 GEEDMN COC(=O)c1ccc(Br)c(NN=Cc2c(N)ncnc2OC)c1 ZINC000793112531 653867090 /nfs/dbraw/zinc/86/70/90/653867090.db2.gz AACDOVHXOFSYGV-UHFFFAOYSA-N 0 1 380.202 2.063 20 30 GEEDMN CC(=NNCCN1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000794494051 653909727 /nfs/dbraw/zinc/90/97/27/653909727.db2.gz DNPIKJJTQIYZLW-UHFFFAOYSA-N 0 1 393.340 2.440 20 30 GEEDMN N#CC1(C[C@H](O)CN2CCN(c3ccc(Br)cn3)CC2)CCC1 ZINC000885942611 653964436 /nfs/dbraw/zinc/96/44/36/653964436.db2.gz QBPQJKDPTIXGFF-HNNXBMFYSA-N 0 1 379.302 2.411 20 30 GEEDMN C#CCN(C(=O)C1=NC(=O)N(C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000827608646 653999724 /nfs/dbraw/zinc/99/97/24/653999724.db2.gz TZPJAJRNPSVETF-CQSZACIVSA-N 0 1 390.237 2.487 20 30 GEEDMN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)S(=O)(=O)C1CCOCC1 ZINC000796752848 654007239 /nfs/dbraw/zinc/00/72/39/654007239.db2.gz KEHVASVLKBROSO-AAEUAGOBSA-N 0 1 378.475 2.455 20 30 GEEDMN C#CCCN(CCOC)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC ZINC000827826343 654009522 /nfs/dbraw/zinc/00/95/22/654009522.db2.gz DJRDYFXJHWHYOD-CQSZACIVSA-N 0 1 397.313 2.434 20 30 GEEDMN COCCCNC(=O)C(C#N)C(=O)Cc1c(F)ccc(Br)c1F ZINC000800384400 654142879 /nfs/dbraw/zinc/14/28/79/654142879.db2.gz AQUODSSDQZZPFA-JTQLQIEISA-N 0 1 389.196 2.131 20 30 GEEDMN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CC#N)C(F)(F)F)c1 ZINC000901773194 654148089 /nfs/dbraw/zinc/14/80/89/654148089.db2.gz TUOGWDBATWCLSS-LLVKDONJSA-N 0 1 383.779 2.165 20 30 GEEDMN C#C[C@H](NCCS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000853116551 654280057 /nfs/dbraw/zinc/28/00/57/654280057.db2.gz XIPWFYYFLMSLPP-INIZCTEOSA-N 0 1 386.311 2.241 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000834479430 654329014 /nfs/dbraw/zinc/32/90/14/654329014.db2.gz DNJVHPXEKDAZGB-BXKDBHETSA-N 0 1 379.283 2.219 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1cc(Br)sc1Br ZINC000834489738 654329760 /nfs/dbraw/zinc/32/97/60/654329760.db2.gz OVQWDJUFJULCKG-CAHLUQPWSA-N 0 1 379.077 2.114 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000834505762 654330714 /nfs/dbraw/zinc/33/07/14/654330714.db2.gz NQJHZAABAWUKEX-SCZZXKLOSA-N 0 1 378.148 2.189 20 30 GEEDMN CCOc1cc(Br)c(CC(=O)N[C@H]2CNC[C@@H]2C#N)cc1OCC ZINC000834512576 654331377 /nfs/dbraw/zinc/33/13/77/654331377.db2.gz YVXSJPCCNMJGTH-JSGCOSHPSA-N 0 1 396.285 2.017 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000922023933 654356433 /nfs/dbraw/zinc/35/64/33/654356433.db2.gz MXKUZCPEACQDAO-UHFFFAOYSA-N 0 1 385.873 2.275 20 30 GEEDMN Cc1ccc(Br)c(N2CCC(O)(CN3CCOCC3)CC2)c1C#N ZINC000872504463 654358983 /nfs/dbraw/zinc/35/89/83/654358983.db2.gz MJYRZISJJDMFIM-UHFFFAOYSA-N 0 1 394.313 2.293 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000835069745 654360605 /nfs/dbraw/zinc/36/06/05/654360605.db2.gz DCLOFCGMVLRVTB-ZDUSSCGKSA-N 0 1 390.237 2.467 20 30 GEEDMN C#CCN1CCC(NC(=O)NCc2ccc(Br)cc2OC)CC1 ZINC000922072233 654363015 /nfs/dbraw/zinc/36/30/15/654363015.db2.gz FIFJBFCARUYEBR-UHFFFAOYSA-N 0 1 380.286 2.355 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000905569907 654366740 /nfs/dbraw/zinc/36/67/40/654366740.db2.gz YFXPVQUHOOZAFB-UKRRQHHQSA-N 0 1 376.400 2.422 20 30 GEEDMN N#Cc1c(NCc2ncc(Br)cc2F)n[nH]c1N1CCOCC1 ZINC000922363373 654386909 /nfs/dbraw/zinc/38/69/09/654386909.db2.gz ZDCKCFCQQAVXMS-UHFFFAOYSA-N 0 1 381.209 2.027 20 30 GEEDMN CN1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000872663562 654387313 /nfs/dbraw/zinc/38/73/13/654387313.db2.gz KJUOYOPQBMSRQS-CABCVRRESA-N 0 1 384.299 2.178 20 30 GEEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NCc2ncc(Br)cc2O)C1 ZINC000893575894 654408872 /nfs/dbraw/zinc/40/88/72/654408872.db2.gz KVOGFJZWUQZCTM-MFKMUULPSA-N 0 1 397.273 2.398 20 30 GEEDMN C#CCN1CCC(NC(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000923508845 654458561 /nfs/dbraw/zinc/45/85/61/654458561.db2.gz XFCJXNASHHEMGM-BPQIPLTHSA-N 0 1 388.309 2.484 20 30 GEEDMN CCN1CCC(N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000906822252 654476048 /nfs/dbraw/zinc/47/60/48/654476048.db2.gz AGJWWQCFWVHYQP-UHFFFAOYSA-N 0 1 386.315 2.426 20 30 GEEDMN C#CCN1CCC(NC(=O)Cc2cccc(I)c2)CC1 ZINC000928655963 654654665 /nfs/dbraw/zinc/65/46/65/654654665.db2.gz FZVAWRFXSJNZHH-UHFFFAOYSA-N 0 1 382.245 2.048 20 30 GEEDMN C#CCN1CCC(NC(=O)[C@@H](C)NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000928657019 654654774 /nfs/dbraw/zinc/65/47/74/654654774.db2.gz MLLOVFIHSHZABN-GFCCVEGCSA-N 0 1 382.291 2.326 20 30 GEEDMN C#CCN1CCC(NC(=O)Cc2ccccc2I)CC1 ZINC000928655092 654654877 /nfs/dbraw/zinc/65/48/77/654654877.db2.gz QYOQXYAJWRRRNZ-UHFFFAOYSA-N 0 1 382.245 2.048 20 30 GEEDMN C#CC1(O)CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000931144708 654730788 /nfs/dbraw/zinc/73/07/88/654730788.db2.gz BWWUKHJCMKHMBL-CQSZACIVSA-N 0 1 379.298 2.256 20 30 GEEDMN CN(C)CC#CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000913516903 654796953 /nfs/dbraw/zinc/79/69/53/654796953.db2.gz LBPCHTMJXAWTIF-MRXNPFEDSA-N 0 1 382.291 2.279 20 30 GEEDMN C=CC[C@@H](CO)CNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914328565 654845467 /nfs/dbraw/zinc/84/54/67/654845467.db2.gz CZRHJKOYVMSBKG-BGJPBQGDSA-N 0 1 386.417 2.052 20 30 GEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@](C)(CO)c1cccc(Br)c1 ZINC000934498873 654851426 /nfs/dbraw/zinc/85/14/26/654851426.db2.gz HGQUXBAURGZGTB-DLBZAZTESA-N 0 1 382.302 2.301 20 30 GEEDMN N#Cc1c(Cl)cc(Cl)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742811 720801582 /nfs/dbraw/zinc/80/15/82/720801582.db2.gz FCDAQJUHTPGXHU-VXGBXAGGSA-N 0 1 391.262 2.392 20 30 GEEDMN CCc1nc(C#N)c(C#N)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164864242 721016455 /nfs/dbraw/zinc/01/64/55/721016455.db2.gz WSJNJJLASGJZGN-CQSZACIVSA-N 0 1 378.484 2.400 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C#N)cc(Cl)n4)C3)O2)CC1 ZINC001164886197 721377747 /nfs/dbraw/zinc/37/77/47/721377747.db2.gz DPLBDDRBZNAJDP-YLJYHZDGSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)CCC5)C3)O2)CC1 ZINC001164890744 721434878 /nfs/dbraw/zinc/43/48/78/721434878.db2.gz DXOABBJFUNCWJL-NFBKMPQASA-N 0 1 395.551 2.207 20 30 GEEDMN COc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncc1C#N ZINC001164959448 722051937 /nfs/dbraw/zinc/05/19/37/722051937.db2.gz JNXXDVVNXWAGFO-UHFFFAOYSA-N 0 1 393.491 2.476 20 30 GEEDMN Cc1nc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164982583 722119783 /nfs/dbraw/zinc/11/97/83/722119783.db2.gz XHVIMLOTNGGMFG-AEFFLSMTSA-N 0 1 398.898 2.432 20 30 GEEDMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CCN1C ZINC000155238926 531667770 /nfs/dbraw/zinc/66/77/70/531667770.db2.gz COTIKVHMZBYOID-BXUZGUMPSA-N 0 1 386.315 2.424 20 30 GEEDMN CC[N@@H+]1CCc2nc(NC(=O)c3cc(C#N)c(SC)[n-]c3=O)sc2C1 ZINC000121103544 532013797 /nfs/dbraw/zinc/01/37/97/532013797.db2.gz DADOVNBGAJJDBJ-UHFFFAOYSA-N 0 1 375.479 2.055 20 30 GEEDMN CC[N@H+]1CCc2nc(NC(=O)c3cc(C#N)c(SC)[n-]c3=O)sc2C1 ZINC000121103544 532013804 /nfs/dbraw/zinc/01/38/04/532013804.db2.gz DADOVNBGAJJDBJ-UHFFFAOYSA-N 0 1 375.479 2.055 20 30 GEEDMN N#Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)ncc1Br ZINC000180760201 532280911 /nfs/dbraw/zinc/28/09/11/532280911.db2.gz CKQSEBBSFMXCIS-UHFFFAOYSA-N 0 1 380.223 2.451 20 30 GEEDMN N#Cc1ccc(Br)c(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000191773187 532366430 /nfs/dbraw/zinc/36/64/30/532366430.db2.gz UVEMFMSUTVGNAP-OAHLLOKOSA-N 0 1 392.297 2.392 20 30 GEEDMN CO[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1Cl ZINC000591754137 532422182 /nfs/dbraw/zinc/42/21/82/532422182.db2.gz FGKRQVWNRCOEOJ-INIZCTEOSA-N 0 1 379.869 2.358 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)NCCN1CC[C@H](O)C1 ZINC000626584515 532440048 /nfs/dbraw/zinc/44/00/48/532440048.db2.gz FNEWXNSPWRWAQK-ZDUSSCGKSA-N 0 1 384.274 2.202 20 30 GEEDMN CCCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCN(C)C1 ZINC000592300289 532446860 /nfs/dbraw/zinc/44/68/60/532446860.db2.gz JNTVRKCLLCILRR-CQSZACIVSA-N 0 1 393.285 2.202 20 30 GEEDMN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000282337925 532458639 /nfs/dbraw/zinc/45/86/39/532458639.db2.gz QUTJHHNZMZTJTG-WDEREUQCSA-N 0 1 379.408 2.087 20 30 GEEDMN N#CCCSc1ccccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000519397402 532462899 /nfs/dbraw/zinc/46/28/99/532462899.db2.gz DPVXFXOGFVFRSD-UHFFFAOYSA-N 0 1 397.503 2.141 20 30 GEEDMN CN(C)C(=O)CCCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000520424046 532493384 /nfs/dbraw/zinc/49/33/84/532493384.db2.gz XDSPRZAGPBGHGG-KRWDZBQOSA-N 0 1 393.329 2.500 20 30 GEEDMN CCOC(=O)C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(F)(F)F ZINC000594701173 532520801 /nfs/dbraw/zinc/52/08/01/532520801.db2.gz VMWKCRYHDIRDHE-NSHDSACASA-N 0 1 384.763 2.374 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCc2cc(Br)ccn2)c(F)c1 ZINC000432275254 532532883 /nfs/dbraw/zinc/53/28/83/532532883.db2.gz AYEZOQCJUSFKLW-UHFFFAOYSA-N 0 1 388.193 2.472 20 30 GEEDMN CN(C)C1(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CC1 ZINC000597153833 532612649 /nfs/dbraw/zinc/61/26/49/532612649.db2.gz MUACYHBBHHCASX-INIZCTEOSA-N 0 1 391.313 2.252 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000284884118 532629387 /nfs/dbraw/zinc/62/93/87/532629387.db2.gz TWWWPVCHNTTXBK-HZMBPMFUSA-N 0 1 381.274 2.285 20 30 GEEDMN Cc1nsc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1C#N ZINC000298709135 532669260 /nfs/dbraw/zinc/66/92/60/532669260.db2.gz RGTBNTKYJHXWHC-UHFFFAOYSA-N 0 1 382.492 2.422 20 30 GEEDMN C=CCCC(C)(C)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000660143096 532674008 /nfs/dbraw/zinc/67/40/08/532674008.db2.gz LPWFMYFEEYJBSQ-UHFFFAOYSA-N 0 1 390.527 2.480 20 30 GEEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(F)cc1NS(C)(=O)=O ZINC000536901713 532699429 /nfs/dbraw/zinc/69/94/29/532699429.db2.gz PXFIAVHYVMWLAQ-UHFFFAOYSA-N 0 1 383.426 2.178 20 30 GEEDMN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)OC)s2)c1 ZINC000539803102 532733427 /nfs/dbraw/zinc/73/34/27/532733427.db2.gz VXMMSYRMJAMBMR-UHFFFAOYSA-N 0 1 380.447 2.251 20 30 GEEDMN N#Cc1cncc(S(=O)(=O)Nc2cccc(I)c2)c1 ZINC000311558114 532777753 /nfs/dbraw/zinc/77/77/53/532777753.db2.gz KCXGGZZRTKZRAN-UHFFFAOYSA-N 0 1 385.186 2.359 20 30 GEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000286727365 532764897 /nfs/dbraw/zinc/76/48/97/532764897.db2.gz XPBYXICKZGYKMH-GUYCJALGSA-N 0 1 382.302 2.254 20 30 GEEDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(C#N)nc2)ccc1Br ZINC000548686695 532793367 /nfs/dbraw/zinc/79/33/67/532793367.db2.gz JDHSGMDOIXQMFB-UHFFFAOYSA-N 0 1 396.222 2.303 20 30 GEEDMN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000329073414 532802153 /nfs/dbraw/zinc/80/21/53/532802153.db2.gz OTYUAZDQHLLFGM-NEPJUHHUSA-N 0 1 386.543 2.060 20 30 GEEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000053526735 209212398 /nfs/dbraw/zinc/21/23/98/209212398.db2.gz XJCSNIUIZWWPHF-NSHDSACASA-N 0 1 392.375 2.237 20 30 GEEDMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000331600584 532841598 /nfs/dbraw/zinc/84/15/98/532841598.db2.gz ZEFMPTZJBMQHBR-IINYFYTJSA-N 0 1 384.299 2.082 20 30 GEEDMN N#CCN1CCC[C@H](CNC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000289930397 532868541 /nfs/dbraw/zinc/86/85/41/532868541.db2.gz BUXRYGVQDXNDCK-LLVKDONJSA-N 0 1 376.258 2.291 20 30 GEEDMN CCN1CCC(N(C)S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416365188 532872064 /nfs/dbraw/zinc/87/20/64/532872064.db2.gz AMIWJBMBRDWLBT-UHFFFAOYSA-N 0 1 386.315 2.426 20 30 GEEDMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CN1C1CC1 ZINC000294052004 532935206 /nfs/dbraw/zinc/93/52/06/532935206.db2.gz JNSHDOYVTFTKDK-GXFFZTMASA-N 0 1 391.269 2.001 20 30 GEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@H]21 ZINC000371505564 532948321 /nfs/dbraw/zinc/94/83/21/532948321.db2.gz KBQPDVOMOXGLIO-SWLSCSKDSA-N 0 1 384.299 2.035 20 30 GEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(Cn2cc(Br)cn2)CC1 ZINC000371726680 532949473 /nfs/dbraw/zinc/94/94/73/532949473.db2.gz IEKVSVUYIRUDBB-AWEZNQCLSA-N 0 1 396.333 2.366 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000737467730 599128899 /nfs/dbraw/zinc/12/88/99/599128899.db2.gz RPFQOOQZNTXLQP-SNVBAGLBSA-N 0 1 376.421 2.256 20 30 GEEDMN N#Cc1ccc(CNC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739118724 600326015 /nfs/dbraw/zinc/32/60/15/600326015.db2.gz WFGXUIQKBURPAL-UHFFFAOYSA-N 0 1 387.386 2.430 20 30 GEEDMN N#Cc1ccc(CNC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739118724 600326016 /nfs/dbraw/zinc/32/60/16/600326016.db2.gz WFGXUIQKBURPAL-UHFFFAOYSA-N 0 1 387.386 2.430 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000739066188 600512086 /nfs/dbraw/zinc/51/20/86/600512086.db2.gz GYMAJJIZJHVBBY-HOTGVXAUSA-N 0 1 394.431 2.179 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000739066187 600512275 /nfs/dbraw/zinc/51/22/75/600512275.db2.gz GYMAJJIZJHVBBY-CVEARBPZSA-N 0 1 394.431 2.179 20 30 GEEDMN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000739107636 600567369 /nfs/dbraw/zinc/56/73/69/600567369.db2.gz YKTYWODKLHULJH-INIZCTEOSA-N 0 1 385.386 2.271 20 30 GEEDMN C[N@H+](CCN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000737440536 600569093 /nfs/dbraw/zinc/56/90/93/600569093.db2.gz BXGWKVGGUMTGRJ-QFIPXVFZSA-N 0 1 392.503 2.434 20 30 GEEDMN C[N@@H+](CCN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000737440536 600569095 /nfs/dbraw/zinc/56/90/95/600569095.db2.gz BXGWKVGGUMTGRJ-QFIPXVFZSA-N 0 1 392.503 2.434 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@@H]2CC(=O)[O-])sc2c1CCC2 ZINC000833067369 601020377 /nfs/dbraw/zinc/02/03/77/601020377.db2.gz BAMBHMGUPRFJOG-NSHDSACASA-N 0 1 379.507 2.329 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833064447 601022314 /nfs/dbraw/zinc/02/23/14/601022314.db2.gz JBMRCKNCSKUNBV-UONOGXRCSA-N 0 1 382.445 2.116 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC000833063738 601049680 /nfs/dbraw/zinc/04/96/80/601049680.db2.gz AEYNROLUKPQZDE-INIZCTEOSA-N 0 1 394.431 2.179 20 30 GEEDMN CS(=O)(=O)Nc1cccc2c1CC[N@@H+]([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000832704040 601312563 /nfs/dbraw/zinc/31/25/63/601312563.db2.gz STEINNFRYMAUFX-SFHVURJKSA-N 0 1 385.445 2.114 20 30 GEEDMN CS(=O)(=O)Nc1cccc2c1CC[N@H+]([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000832704040 601312566 /nfs/dbraw/zinc/31/25/66/601312566.db2.gz STEINNFRYMAUFX-SFHVURJKSA-N 0 1 385.445 2.114 20 30 GEEDMN CC(C)c1nc(CN(C)[C@@H]2CC[N@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827152285 601321565 /nfs/dbraw/zinc/32/15/65/601321565.db2.gz GJGMIVMUDHAUJS-AEFFLSMTSA-N 0 1 383.452 2.397 20 30 GEEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](CC(=O)[O-])C3)sc2C1 ZINC000828309501 601572134 /nfs/dbraw/zinc/57/21/34/601572134.db2.gz DMPAZFHXERWNNO-OLZOCXBDSA-N 0 1 391.493 2.249 20 30 GEEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](CC(=O)[O-])C3)sc2C1 ZINC000828309501 601572136 /nfs/dbraw/zinc/57/21/36/601572136.db2.gz DMPAZFHXERWNNO-OLZOCXBDSA-N 0 1 391.493 2.249 20 30 GEEDMN C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830706018 601900621 /nfs/dbraw/zinc/90/06/21/601900621.db2.gz AACHMVSLTVNHPL-FZKQIMNGSA-N 0 1 394.349 2.473 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CNC(=O)[O-])C2)sc2c1CCCC2 ZINC000740311474 601958567 /nfs/dbraw/zinc/95/85/67/601958567.db2.gz QFFWQMPWCZHROK-GFCCVEGCSA-N 0 1 376.482 2.417 20 30 GEEDMN CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CCCN(C(=O)[O-])C2)CC1=O ZINC000739728077 602039285 /nfs/dbraw/zinc/03/92/85/602039285.db2.gz LKGKKEDPDGKICI-CYBMUJFWSA-N 0 1 383.452 2.036 20 30 GEEDMN CN(C[C@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1)C(=O)[O-] ZINC000739666167 602529935 /nfs/dbraw/zinc/52/99/35/602529935.db2.gz SNSVCCYIWPGJIJ-HIFRSBDPSA-N 0 1 379.420 2.155 20 30 GEEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738605768 602647703 /nfs/dbraw/zinc/64/77/03/602647703.db2.gz XRHUFKRWVIBOOI-ZIAGYGMSSA-N 0 1 376.482 2.466 20 30 GEEDMN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738605768 602647705 /nfs/dbraw/zinc/64/77/05/602647705.db2.gz XRHUFKRWVIBOOI-ZIAGYGMSSA-N 0 1 376.482 2.466 20 30 GEEDMN C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[C@H]1NC(=O)[O-] ZINC000739179023 602775380 /nfs/dbraw/zinc/77/53/80/602775380.db2.gz KZWMKVHTQXAHRA-BPLDGKMQSA-N 0 1 379.420 2.202 20 30 GEEDMN N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000740312214 603234664 /nfs/dbraw/zinc/23/46/64/603234664.db2.gz DADBDWSLBOXMKD-OALUTQOASA-N 0 1 384.480 2.419 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000740312214 603234669 /nfs/dbraw/zinc/23/46/69/603234669.db2.gz DADBDWSLBOXMKD-OALUTQOASA-N 0 1 384.480 2.419 20 30 GEEDMN CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833635860 605052586 /nfs/dbraw/zinc/05/25/86/605052586.db2.gz BGZBBYMTXOFRSJ-RDJZCZTQSA-N 0 1 388.468 2.058 20 30 GEEDMN C=CCOc1ccc(/C=C\C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)cc1OC ZINC000833377949 605110840 /nfs/dbraw/zinc/11/08/40/605110840.db2.gz RSQPCQSZTVIKMJ-QKIRZYONSA-N 0 1 388.464 2.281 20 30 GEEDMN N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000833967583 605370312 /nfs/dbraw/zinc/37/03/12/605370312.db2.gz RMSIEDHXAZJLOX-WBVHZDCISA-N 0 1 385.468 2.208 20 30 GEEDMN N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@@H]4CCC[C@H](NC(=O)[O-])[C@@H]4C3)C2=O)cc1 ZINC000833974605 605449759 /nfs/dbraw/zinc/44/97/59/605449759.db2.gz UMVVNIQASBHUAA-NQYYFHDYSA-N 0 1 382.464 2.422 20 30 GEEDMN N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833973529 605515077 /nfs/dbraw/zinc/51/50/77/605515077.db2.gz ARPIDELAHFXUOB-KDOFPFPSSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833973529 605515081 /nfs/dbraw/zinc/51/50/81/605515081.db2.gz ARPIDELAHFXUOB-KDOFPFPSSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833973532 605515237 /nfs/dbraw/zinc/51/52/37/605515237.db2.gz ARPIDELAHFXUOB-KSSFIOAISA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833973532 605515238 /nfs/dbraw/zinc/51/52/38/605515238.db2.gz ARPIDELAHFXUOB-KSSFIOAISA-N 0 1 388.443 2.168 20 30 GEEDMN N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000833967066 605670732 /nfs/dbraw/zinc/67/07/32/605670732.db2.gz GXNSBAQVNYFXHK-YZGWKJHDSA-N 0 1 387.480 2.489 20 30 GEEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](NC(=O)[O-])C3)sc2C1 ZINC000739112701 605929808 /nfs/dbraw/zinc/92/98/08/605929808.db2.gz GZFZWVYPUPKXJD-NEPJUHHUSA-N 0 1 376.482 2.415 20 30 GEEDMN C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419827 606299263 /nfs/dbraw/zinc/29/92/63/606299263.db2.gz KKCTXYSDFCTCBS-NHYWBVRUSA-N 0 1 379.449 2.256 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000823849891 607923017 /nfs/dbraw/zinc/92/30/17/607923017.db2.gz BMXZLRSUPPNBCA-KRWDZBQOSA-N 0 1 383.452 2.057 20 30 GEEDMN C#CCOc1ccc(CN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000823856153 608594293 /nfs/dbraw/zinc/59/42/93/608594293.db2.gz LBIFYWKPOVMJML-UHFFFAOYSA-N 0 1 392.438 2.340 20 30 GEEDMN C=CCN1C(=O)N=NC1SCc1ccc(-c2nn[nH]n2)cc1Br ZINC000823936947 609310102 /nfs/dbraw/zinc/31/01/02/609310102.db2.gz AQOMNOZTWMKJIO-UHFFFAOYSA-N 0 1 394.258 2.405 20 30 GEEDMN CSc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 ZINC000448833432 650023064 /nfs/dbraw/zinc/02/30/64/650023064.db2.gz XZVCAFWOGHZRGC-SECBINFHSA-N 0 1 376.829 2.043 20 30 GEEDMN COc1cc(NS(=O)(=O)c2cccc(C)c2C#N)cc(S(C)(=O)=O)c1 ZINC000507599798 650464313 /nfs/dbraw/zinc/46/43/13/650464313.db2.gz XRECAFXZMMZYAN-UHFFFAOYSA-N 0 1 380.447 2.080 20 30 GEEDMN C=CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1n[nH]c(C2CC2)n1 ZINC000507550715 650462464 /nfs/dbraw/zinc/46/24/64/650462464.db2.gz LKAXIZKJXPLRMM-UHFFFAOYSA-N 0 1 376.467 2.162 20 30 GEEDMN N#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)s1 ZINC000531157574 650735853 /nfs/dbraw/zinc/73/58/53/650735853.db2.gz DDOZGEPEHRKJAE-UHFFFAOYSA-N 0 1 377.447 2.362 20 30 GEEDMN CN1CCN(c2ccc(Br)cc2NC(=O)CSCC#N)CC1 ZINC000041776613 642532380 /nfs/dbraw/zinc/53/23/80/642532380.db2.gz BOICLZGQDJLIFX-UHFFFAOYSA-N 0 1 383.315 2.396 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nnc(C)[nH]1 ZINC000103256429 643159888 /nfs/dbraw/zinc/15/98/88/643159888.db2.gz BEJCFCWDSWACJX-UHFFFAOYSA-N 0 1 380.202 2.164 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nc(C)n[nH]1 ZINC000103256429 643159889 /nfs/dbraw/zinc/15/98/89/643159889.db2.gz BEJCFCWDSWACJX-UHFFFAOYSA-N 0 1 380.202 2.164 20 30 GEEDMN CC[S@@](=O)[C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000126031142 643719099 /nfs/dbraw/zinc/71/90/99/643719099.db2.gz WLEGVGZLJGQSKH-RSPIHXBNSA-N 0 1 376.450 2.195 20 30 GEEDMN CN(CCC#N)C(=O)CCN1CCN(Cc2ccc(Br)s2)CC1 ZINC000131067059 643861682 /nfs/dbraw/zinc/86/16/82/643861682.db2.gz QRECANIRPYODSZ-UHFFFAOYSA-N 0 1 399.358 2.390 20 30 GEEDMN C#CCCCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179974750 644481835 /nfs/dbraw/zinc/48/18/35/644481835.db2.gz VJDTXJFTBHSECE-UHFFFAOYSA-N 0 1 380.185 2.276 20 30 GEEDMN C=CCCOCCNS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000275358868 646352064 /nfs/dbraw/zinc/35/20/64/646352064.db2.gz IINJFFRWPRSEMI-UHFFFAOYSA-N 0 1 398.300 2.168 20 30 GEEDMN N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000277091863 646375292 /nfs/dbraw/zinc/37/52/92/646375292.db2.gz VSELQRYEHGHNEI-CQSZACIVSA-N 0 1 376.507 2.205 20 30 GEEDMN N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000277091859 646375315 /nfs/dbraw/zinc/37/53/15/646375315.db2.gz VSELQRYEHGHNEI-AWEZNQCLSA-N 0 1 376.507 2.205 20 30 GEEDMN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000330384868 647333516 /nfs/dbraw/zinc/33/35/16/647333516.db2.gz KWKRBPQWNHOGBD-HLLBOEOZSA-N 0 1 384.571 2.447 20 30 GEEDMN C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000330382253 647333575 /nfs/dbraw/zinc/33/35/75/647333575.db2.gz WZJMWXYNXQWWEW-HOTGVXAUSA-N 0 1 384.571 2.447 20 30 GEEDMN C[C@@H]1CCc2c(sc(NC(=O)CCN3CCSC[C@H]3CO)c2C#N)C1 ZINC000334028332 647487875 /nfs/dbraw/zinc/48/78/75/647487875.db2.gz JEHMXIXJKWAMRA-CHWSQXEVSA-N 0 1 379.551 2.483 20 30 GEEDMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)CCN1C ZINC000408112809 647927170 /nfs/dbraw/zinc/92/71/70/647927170.db2.gz OBCMIBKPYCRRLB-VXGBXAGGSA-N 0 1 386.315 2.424 20 30 GEEDMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416516879 648155967 /nfs/dbraw/zinc/15/59/67/648155967.db2.gz AQMDMQXTBLSIRQ-CQSZACIVSA-N 0 1 386.315 2.426 20 30 GEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C ZINC000416937217 648217869 /nfs/dbraw/zinc/21/78/69/648217869.db2.gz CRFVQPPRMWUDKU-CQSZACIVSA-N 0 1 387.527 2.378 20 30 GEEDMN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000421248969 648478679 /nfs/dbraw/zinc/47/86/79/648478679.db2.gz LPICXYRLINFAFH-ZFWWWQNUSA-N 0 1 388.511 2.175 20 30 GEEDMN CCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1 ZINC000562889373 651503202 /nfs/dbraw/zinc/50/32/02/651503202.db2.gz FTTWYRZBELVFIR-UHFFFAOYSA-N 0 1 379.463 2.047 20 30 GEEDMN C#CCN1CCN(C(=O)CN(Cc2cccc(Br)c2)C(C)C)CC1 ZINC000748812783 652217958 /nfs/dbraw/zinc/21/79/58/652217958.db2.gz HQEVBQOGLXAOQQ-UHFFFAOYSA-N 0 1 392.341 2.437 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCc2cnn(CC(F)(F)F)c2)c(F)c1 ZINC000578293509 652260346 /nfs/dbraw/zinc/26/03/46/652260346.db2.gz GBWXFWYELFYQSS-UHFFFAOYSA-N 0 1 380.298 2.074 20 30 GEEDMN CC#CCN(C)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000579635943 652348555 /nfs/dbraw/zinc/34/85/55/652348555.db2.gz NCTDJLMNGSFZGC-UHFFFAOYSA-N 0 1 380.185 2.228 20 30 GEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1nc(C)c(Br)s1 ZINC000583300741 652480622 /nfs/dbraw/zinc/48/06/22/652480622.db2.gz KUXJBPYUSVFWTC-ZJUUUORDSA-N 0 1 381.317 2.474 20 30 GEEDMN C#CCN1CCC(C(=O)N(CCO)Cc2cc(Br)cs2)CC1 ZINC000757650860 652519774 /nfs/dbraw/zinc/51/97/74/652519774.db2.gz FQUWVRWQIOUQDM-UHFFFAOYSA-N 0 1 385.327 2.177 20 30 GEEDMN C#CCNC(=S)Nc1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000758173962 652532642 /nfs/dbraw/zinc/53/26/42/652532642.db2.gz ZNPVMWWFRYGLST-UHFFFAOYSA-N 0 1 375.475 2.416 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000588115135 652547540 /nfs/dbraw/zinc/54/75/40/652547540.db2.gz GJHCVLXKKZQQHV-LBPRGKRZSA-N 0 1 384.299 2.083 20 30 GEEDMN N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccncn1 ZINC000760337749 652604201 /nfs/dbraw/zinc/60/42/01/652604201.db2.gz BDVGMBDIAZSCNW-RISCZKNCSA-N 0 1 385.221 2.468 20 30 GEEDMN Cc1ccc2c(ncc(C#N)c2N2CC(N3CC[C@@H](O)C3)C2)c1Br ZINC000593502449 652623238 /nfs/dbraw/zinc/62/32/38/652623238.db2.gz CHPOSKKILDCTFK-CQSZACIVSA-N 0 1 387.281 2.433 20 30 GEEDMN Cc1ccc(Br)c2ncc(C#N)c(NCCN3CCN(C)CC3)c12 ZINC000601101191 652954182 /nfs/dbraw/zinc/95/41/82/652954182.db2.gz OZEDGRZVMPWQJU-UHFFFAOYSA-N 0 1 388.313 2.259 20 30 GEEDMN N#Cc1ccc(Cl)c(S(=O)(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000772688423 653160045 /nfs/dbraw/zinc/16/00/45/653160045.db2.gz VRSPPFFUYMPARQ-HNNXBMFYSA-N 0 1 383.901 2.133 20 30 GEEDMN CC(N=Nc1ccccc1S(=O)(=O)N1CCOCC1)C1SC=CC1=O ZINC000769790755 653177557 /nfs/dbraw/zinc/17/75/57/653177557.db2.gz NFDPBZKIEVDDOL-UHFFFAOYSA-N 0 1 381.479 2.311 20 30 GEEDMN C#C[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)[C@H]1CCCO1 ZINC000773057969 653178166 /nfs/dbraw/zinc/17/81/66/653178166.db2.gz RZQSYLYIDGVYIN-VXGBXAGGSA-N 0 1 380.210 2.186 20 30 GEEDMN CSC1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000602921874 653215291 /nfs/dbraw/zinc/21/52/91/653215291.db2.gz BAQVLMPHZZNKOI-MRXNPFEDSA-N 0 1 378.567 2.284 20 30 GEEDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C[C@H](C)N1CC#N ZINC000603098891 653227491 /nfs/dbraw/zinc/22/74/91/653227491.db2.gz IRHQPVRHCBFTTQ-QWRGUYRKSA-N 0 1 376.258 2.384 20 30 GEEDMN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000876636942 653440244 /nfs/dbraw/zinc/44/02/44/653440244.db2.gz NRXSEFMIWQPMPA-SECBINFHSA-N 0 1 386.779 2.397 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000876801884 653449177 /nfs/dbraw/zinc/44/91/77/653449177.db2.gz KBOHUTJUCKLEAB-VDTYLAMSSA-N 0 1 379.077 2.114 20 30 GEEDMN C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000779848406 653612703 /nfs/dbraw/zinc/61/27/03/653612703.db2.gz NBGXCATUDNMXDK-GFCCVEGCSA-N 0 1 380.447 2.182 20 30 GEEDMN Cn1c(Cl)nc(Cl)c1C=NNc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC000814799522 653639728 /nfs/dbraw/zinc/63/97/28/653639728.db2.gz KPOPYUNIFZLZFE-UHFFFAOYSA-N 0 1 389.268 2.009 20 30 GEEDMN C#CCNC(=O)CCN(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000815120002 653652862 /nfs/dbraw/zinc/65/28/62/653652862.db2.gz LQRRSJKGFPWFIS-HNNXBMFYSA-N 0 1 376.806 2.247 20 30 GEEDMN O=C1C[C@H](C/N=C/c2cc(Br)cc(Br)c2O)CN1 ZINC000840712511 653691599 /nfs/dbraw/zinc/69/15/99/653691599.db2.gz ZAGJXXZTLUTJBC-LHGJSEJASA-N 0 1 376.048 2.472 20 30 GEEDMN CCOC(=O)c1c(NC(=O)N[C@@H]2CNC[C@H]2C#N)sc2c1CCCS2 ZINC000841157643 653708402 /nfs/dbraw/zinc/70/84/02/653708402.db2.gz IPQZYBKPUTZZJH-MWLCHTKSSA-N 0 1 380.495 2.196 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000841194670 653710022 /nfs/dbraw/zinc/71/00/22/653710022.db2.gz OUTHQVIJKILDEU-MWLCHTKSSA-N 0 1 393.270 2.201 20 30 GEEDMN C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)N1CCCCC1 ZINC000788599518 653760396 /nfs/dbraw/zinc/76/03/96/653760396.db2.gz CGFZDYQYMSFYNQ-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN C#CCN(C(=O)[C@@H](O)c1c[nH]cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000865825770 653776420 /nfs/dbraw/zinc/77/64/20/653776420.db2.gz GJYIIQVBOVOEAQ-ZBFHGGJFSA-N 0 1 390.237 2.191 20 30 GEEDMN CN1CC[C@H](N2CCC(Nc3c(Br)cccc3C#N)CC2)C1=O ZINC000865885782 653778527 /nfs/dbraw/zinc/77/85/27/653778527.db2.gz AHYSAGBJPUHJTH-HNNXBMFYSA-N 0 1 377.286 2.428 20 30 GEEDMN Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c(C)n1-c1ccc(Br)cn1 ZINC000843460365 653787353 /nfs/dbraw/zinc/78/73/53/653787353.db2.gz OAKLNYWTPMXBFG-SWLSCSKDSA-N 0 1 388.269 2.093 20 30 GEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(C)c1Br ZINC000791772135 653823713 /nfs/dbraw/zinc/82/37/13/653823713.db2.gz WWKZSRDGCQABPL-SECBINFHSA-N 0 1 377.198 2.152 20 30 GEEDMN Nc1nc(Cl)cc(N=NCc2c(Br)n[nH]c2Br)n1 ZINC000793038548 653863777 /nfs/dbraw/zinc/86/37/77/653863777.db2.gz CAESAIKCKZEIAJ-UHFFFAOYSA-N 0 1 395.446 2.406 20 30 GEEDMN CCc1cc(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)n[nH]1 ZINC000824511742 653899199 /nfs/dbraw/zinc/89/91/99/653899199.db2.gz BZAAMZFXAZBZLD-UHFFFAOYSA-N 0 1 390.241 2.170 20 30 GEEDMN N#Cc1c(-c2nn[nH]n2)ncn1CCCC(=O)c1ccc(Br)cc1 ZINC000826382995 653950394 /nfs/dbraw/zinc/95/03/94/653950394.db2.gz FGYCRMZHMJJZOE-UHFFFAOYSA-N 0 1 386.213 2.360 20 30 GEEDMN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC000848400051 653974445 /nfs/dbraw/zinc/97/44/45/653974445.db2.gz BGDAKDOEYOAJIA-CYBMUJFWSA-N 0 1 387.889 2.113 20 30 GEEDMN C#C[C@@H](NS(=O)(=O)c1scnc1C(=O)OC)c1ccc(Cl)cc1F ZINC000796088417 653985528 /nfs/dbraw/zinc/98/55/28/653985528.db2.gz FKTKMZUXMKUXBJ-LLVKDONJSA-N 0 1 388.829 2.375 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccccc1I ZINC000796989311 654014721 /nfs/dbraw/zinc/01/47/21/654014721.db2.gz PGXAMRQNLIQOFS-AWEZNQCLSA-N 0 1 383.229 2.475 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(Br)c(Br)c1 ZINC000868202871 654022961 /nfs/dbraw/zinc/02/29/61/654022961.db2.gz FRGUOGPDKBSZBG-RDDDGLTNSA-N 0 1 388.063 2.445 20 30 GEEDMN C#C[C@@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(C)C ZINC000798472749 654065415 /nfs/dbraw/zinc/06/54/15/654065415.db2.gz RXQWWFBCPHVKCO-SECBINFHSA-N 0 1 380.285 2.233 20 30 GEEDMN Cc1cc(C)n(C2N=NC(=S)N2N=Cc2[nH]c(C)nc2Br)n1 ZINC000901164441 654112745 /nfs/dbraw/zinc/11/27/45/654112745.db2.gz QNLNNSHEDFSOFX-UHFFFAOYSA-N 0 1 381.263 2.046 20 30 GEEDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1C ZINC000917757900 654134050 /nfs/dbraw/zinc/13/40/50/654134050.db2.gz AAFLQPCVIABPFC-UHFFFAOYSA-N 0 1 379.463 2.429 20 30 GEEDMN C#C[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000851827742 654185121 /nfs/dbraw/zinc/18/51/21/654185121.db2.gz PGBGEKDALFBNRG-GFCCVEGCSA-N 0 1 376.793 2.094 20 30 GEEDMN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831637692 654195435 /nfs/dbraw/zinc/19/54/35/654195435.db2.gz SAUZGCLUEIZSLQ-UHFFFAOYSA-N 0 1 380.253 2.135 20 30 GEEDMN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831637692 654195441 /nfs/dbraw/zinc/19/54/41/654195441.db2.gz SAUZGCLUEIZSLQ-UHFFFAOYSA-N 0 1 380.253 2.135 20 30 GEEDMN O=C(NC[C@@H]1C[C@H]1C(F)(F)F)C(F)(F)C(=O)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000902971793 654206229 /nfs/dbraw/zinc/20/62/29/654206229.db2.gz BYWMIPKOPZFUJV-RULNZFCNSA-N 0 1 382.251 2.251 20 30 GEEDMN O=S(=O)(c1ncc[nH]1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000921825550 654328265 /nfs/dbraw/zinc/32/82/65/654328265.db2.gz UZCFXCIJRQESHO-PHDIDXHHSA-N 0 1 399.263 2.201 20 30 GEEDMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000834505671 654330658 /nfs/dbraw/zinc/33/06/58/654330658.db2.gz MQOWDSKMCQAIIS-GXTWGEPZSA-N 0 1 378.263 2.388 20 30 GEEDMN C=C(Br)CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805001738 654333207 /nfs/dbraw/zinc/33/32/07/654333207.db2.gz MIKSQKZKPAKIQM-HGNGGELXSA-N 0 1 386.212 2.382 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000922027553 654357250 /nfs/dbraw/zinc/35/72/50/654357250.db2.gz WYWUJWXBJCGJHL-UHFFFAOYSA-N 0 1 385.873 2.275 20 30 GEEDMN Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1cc(C#N)ccc1Br ZINC000922118845 654369567 /nfs/dbraw/zinc/36/95/67/654369567.db2.gz JCMWMLKQEYFAHJ-RHSMWYFYSA-N 0 1 388.269 2.164 20 30 GEEDMN CS(=O)(=O)N1CCCC[C@@H]1CNCc1cc(C#N)ccc1Br ZINC000922124695 654370435 /nfs/dbraw/zinc/37/04/35/654370435.db2.gz YGUSBXIEQCSRIY-CQSZACIVSA-N 0 1 386.315 2.224 20 30 GEEDMN CC(C)N1CCO[C@@H](COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000835298777 654378604 /nfs/dbraw/zinc/37/86/04/654378604.db2.gz WUZMZJQKTOMWLH-CYBMUJFWSA-N 0 1 397.269 2.352 20 30 GEEDMN N#Cc1c(NCc2cccc(O)c2Br)n[nH]c1N1CCOCC1 ZINC000922361051 654386651 /nfs/dbraw/zinc/38/66/51/654386651.db2.gz ACQLTWGWGOEVMO-UHFFFAOYSA-N 0 1 378.230 2.198 20 30 GEEDMN CON=C(C(=O)NC[C@H](c1cccs1)N1CCCC1)c1csc(N)n1 ZINC000873843144 654471823 /nfs/dbraw/zinc/47/18/23/654471823.db2.gz JHGWIPCTNHDWOM-GFCCVEGCSA-N 0 1 379.511 2.091 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccc(F)cc2I)CC1 ZINC000928656815 654654790 /nfs/dbraw/zinc/65/47/90/654654790.db2.gz HKLCNSBUDSBAFH-UHFFFAOYSA-N 0 1 386.208 2.258 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(C)ccc2I)CC1 ZINC000928658128 654654816 /nfs/dbraw/zinc/65/48/16/654654816.db2.gz MBRRTLJGXZWICH-UHFFFAOYSA-N 0 1 382.245 2.427 20 30 GEEDMN CN1CCN(C)CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000931379961 654740325 /nfs/dbraw/zinc/74/03/25/654740325.db2.gz MOHGVMWHXWMEAB-UHFFFAOYSA-N 0 1 380.290 2.032 20 30 GEEDMN C[C@](C#N)(NC(=O)CN[C@](C)(CO)c1cccc(Br)c1)C1CC1 ZINC000934498589 654851477 /nfs/dbraw/zinc/85/14/77/654851477.db2.gz ANVKXYAUOCJTKJ-IAGOWNOFSA-N 0 1 380.286 2.055 20 30 GEEDMN C#CCN1CCC(NC(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000915453237 654871392 /nfs/dbraw/zinc/87/13/92/654871392.db2.gz YNSDLAOGMYHVJX-UHFFFAOYSA-N 0 1 380.286 2.355 20 30 GEEDMN N#Cc1c(Cl)cc(Cl)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742809 720801353 /nfs/dbraw/zinc/80/13/53/720801353.db2.gz FCDAQJUHTPGXHU-RYUDHWBXSA-N 0 1 391.262 2.392 20 30 GEEDMN COc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1C#N ZINC001164795620 721526272 /nfs/dbraw/zinc/52/62/72/721526272.db2.gz PHPYPZBRTQKYOT-LQWHRVPQSA-N 0 1 379.464 2.225 20 30 GEEDMN C=CCN1CCN(c2ncccc2S(=O)(=O)Nc2cccc(F)c2)CC1 ZINC001165034998 721871966 /nfs/dbraw/zinc/87/19/66/721871966.db2.gz RSRCMAQCVVELIJ-UHFFFAOYSA-N 0 1 376.457 2.330 20 30 GEEDMN N#CC1(c2ccc(N3CCN(CCc4ccccn4)CC3)nc2)CCOCC1 ZINC001165055871 722016558 /nfs/dbraw/zinc/01/65/58/722016558.db2.gz MQXFBLVRCHZGPE-UHFFFAOYSA-N 0 1 377.492 2.413 20 30 GEEDMN N#Cc1ncc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982834 722106265 /nfs/dbraw/zinc/10/62/65/722106265.db2.gz PHIPQZADAAKYHI-RDJZCZTQSA-N 0 1 384.871 2.124 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2)c(F)c1 ZINC000124426407 532120805 /nfs/dbraw/zinc/12/08/05/532120805.db2.gz ICEICTCPGHWYEB-UHFFFAOYSA-N 0 1 385.779 2.407 20 30 GEEDMN CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000124451617 532122309 /nfs/dbraw/zinc/12/23/09/532122309.db2.gz SGIUQODXILFUOL-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN COc1cc(C#N)ccc1S(=O)(=O)N(CCN(C)C)Cc1cccs1 ZINC000185836860 532338854 /nfs/dbraw/zinc/33/88/54/532338854.db2.gz BYONNIFFHHNDOC-UHFFFAOYSA-N 0 1 379.507 2.381 20 30 GEEDMN O=C(NCCNCc1cc(Br)cc2c1OCC2)C1N=CC=CC1=O ZINC000185035354 532336558 /nfs/dbraw/zinc/33/65/58/532336558.db2.gz XLIPVYOCQMQBQW-ICFOKQHNSA-N 0 1 392.253 2.000 20 30 GEEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)n1 ZINC000187522962 532344718 /nfs/dbraw/zinc/34/47/18/532344718.db2.gz VFIUZBNQLDLBSL-LBPRGKRZSA-N 0 1 378.479 2.402 20 30 GEEDMN Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)cc1C#N ZINC000427140031 532412228 /nfs/dbraw/zinc/41/22/28/532412228.db2.gz MUCGCVMHWVRARC-UHFFFAOYSA-N 0 1 378.841 2.418 20 30 GEEDMN CN(c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1)S(C)(=O)=O ZINC000466278671 532423963 /nfs/dbraw/zinc/42/39/63/532423963.db2.gz FEEALJNLNUXHFL-UHFFFAOYSA-N 0 1 399.881 2.408 20 30 GEEDMN C[C@@H]1CN(CC2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C[C@@H](C)O1 ZINC000373818103 532471928 /nfs/dbraw/zinc/47/19/28/532471928.db2.gz DSJJDRJDGCIAEA-ZIAGYGMSSA-N 0 1 383.539 2.130 20 30 GEEDMN CO[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000564853693 532535608 /nfs/dbraw/zinc/53/56/08/532535608.db2.gz HQCDHXNCPQHABR-MRXNPFEDSA-N 0 1 379.869 2.358 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCNCCOc2ccc(Cl)c(F)c2)nc1 ZINC000564860754 532535839 /nfs/dbraw/zinc/53/58/39/532535839.db2.gz RXGUAPGJKIQWKT-UHFFFAOYSA-N 0 1 383.832 2.188 20 30 GEEDMN CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000595074342 532542749 /nfs/dbraw/zinc/54/27/49/532542749.db2.gz QRRCGCVCCFUWBM-ZDUSSCGKSA-N 0 1 393.285 2.248 20 30 GEEDMN CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000594801303 532531597 /nfs/dbraw/zinc/53/15/97/532531597.db2.gz MRWCGQNCMFCYKA-CYBMUJFWSA-N 0 1 386.315 2.472 20 30 GEEDMN C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000376573130 532619033 /nfs/dbraw/zinc/61/90/33/532619033.db2.gz GCOBTEDTNXVKDC-UNEWFSDZSA-N 0 1 384.933 2.259 20 30 GEEDMN C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000376573125 532619378 /nfs/dbraw/zinc/61/93/78/532619378.db2.gz GCOBTEDTNXVKDC-FRFSOERESA-N 0 1 384.933 2.259 20 30 GEEDMN C[C@H]1C[C@H](NC[C@@H](O)CC2(C#N)CCOCC2)c2ccsc2S1(=O)=O ZINC000600739599 532681187 /nfs/dbraw/zinc/68/11/87/532681187.db2.gz QNSGSOKHKRTHFK-YDHLFZDLSA-N 0 1 384.523 2.016 20 30 GEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000285587197 532693388 /nfs/dbraw/zinc/69/33/88/532693388.db2.gz XGMWHNPITIZLEL-IAGOWNOFSA-N 0 1 382.302 2.301 20 30 GEEDMN C=CC[N@@H+](CCc1cn(CC(=O)[O-])nn1)Cc1cc(Br)ccc1F ZINC000569130556 532689003 /nfs/dbraw/zinc/68/90/03/532689003.db2.gz WIOBPFFNGHICOW-UHFFFAOYSA-N 0 1 397.248 2.495 20 30 GEEDMN C=CC[N@H+](CCc1cn(CC(=O)[O-])nn1)Cc1cc(Br)ccc1F ZINC000569130556 532689007 /nfs/dbraw/zinc/68/90/07/532689007.db2.gz WIOBPFFNGHICOW-UHFFFAOYSA-N 0 1 397.248 2.495 20 30 GEEDMN C[C@](C#N)(NC(=O)CN[C@](C)(CO)c1ccc(Br)cc1)C1CC1 ZINC000286594642 532757887 /nfs/dbraw/zinc/75/78/87/532757887.db2.gz QUOXXEQALJGACP-IAGOWNOFSA-N 0 1 380.286 2.055 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCCN1C ZINC000411243501 532751113 /nfs/dbraw/zinc/75/11/13/532751113.db2.gz LRFXGDJDISDXMG-CYBMUJFWSA-N 0 1 396.285 2.163 20 30 GEEDMN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000542046629 532763953 /nfs/dbraw/zinc/76/39/53/532763953.db2.gz IYVAKCKSYMKSAU-JBEBIEQOSA-N 0 1 376.503 2.420 20 30 GEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000462066888 532800586 /nfs/dbraw/zinc/80/05/86/532800586.db2.gz VUVNBUWKJLZEPD-AWEZNQCLSA-N 0 1 385.511 2.214 20 30 GEEDMN CN1CCOC[C@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000328961773 532801226 /nfs/dbraw/zinc/80/12/26/532801226.db2.gz QSSRKBSNGAAKGN-LBPRGKRZSA-N 0 1 380.246 2.021 20 30 GEEDMN CN1CCOC[C@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000328961773 532801230 /nfs/dbraw/zinc/80/12/30/532801230.db2.gz QSSRKBSNGAAKGN-LBPRGKRZSA-N 0 1 380.246 2.021 20 30 GEEDMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000329073418 532802118 /nfs/dbraw/zinc/80/21/18/532802118.db2.gz OTYUAZDQHLLFGM-VXGBXAGGSA-N 0 1 386.543 2.060 20 30 GEEDMN CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000329161257 532802695 /nfs/dbraw/zinc/80/26/95/532802695.db2.gz YXLFCYGUMFKNDC-SFYZADRCSA-N 0 1 382.305 2.247 20 30 GEEDMN CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@H]2C1 ZINC000272475196 532815853 /nfs/dbraw/zinc/81/58/53/532815853.db2.gz UHTVJWPWANXGSI-DOMZBBRYSA-N 0 1 384.299 2.035 20 30 GEEDMN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000330619167 532822822 /nfs/dbraw/zinc/82/28/22/532822822.db2.gz ZAMLHKVKGMNULA-GJZGRUSLSA-N 0 1 386.315 2.271 20 30 GEEDMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330682915 532825676 /nfs/dbraw/zinc/82/56/76/532825676.db2.gz OKKLCOUDZFMJFS-GFCCVEGCSA-N 0 1 386.315 2.472 20 30 GEEDMN C[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331179642 532834994 /nfs/dbraw/zinc/83/49/94/532834994.db2.gz GQVIPUJDAUGSPY-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN C#C[C@H](C)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000289349317 532852662 /nfs/dbraw/zinc/85/26/62/532852662.db2.gz IYMXHJPJRDQSRD-LBPRGKRZSA-N 0 1 383.286 2.426 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1N1CCCC1 ZINC000274824642 532857425 /nfs/dbraw/zinc/85/74/25/532857425.db2.gz QRIGDVPCZREPTB-HZPDHXFCSA-N 0 1 385.942 2.412 20 30 GEEDMN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000369333781 532938544 /nfs/dbraw/zinc/93/85/44/532938544.db2.gz GOBKXLQMQCXSOF-SNVBAGLBSA-N 0 1 379.408 2.087 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000170623049 570881330 /nfs/dbraw/zinc/88/13/30/570881330.db2.gz CSWOUGOXAAMCBG-UHFFFAOYSA-N 0 1 379.342 2.473 20 30 GEEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000819745665 607351862 /nfs/dbraw/zinc/35/18/62/607351862.db2.gz OPQLTJZMDJJYKJ-UHFFFAOYSA-N 0 1 396.411 2.450 20 30 GEEDMN COc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000737082375 598392643 /nfs/dbraw/zinc/39/26/43/598392643.db2.gz IUDIOWUTOBXZET-UHFFFAOYSA-N 0 1 386.372 2.416 20 30 GEEDMN COCCN(Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737003518 598539348 /nfs/dbraw/zinc/53/93/48/598539348.db2.gz XEIZOYYMAZTGRB-UHFFFAOYSA-N 0 1 378.436 2.418 20 30 GEEDMN N#CCOc1ccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737694181 598812942 /nfs/dbraw/zinc/81/29/42/598812942.db2.gz BCHMNCCPESVSLM-UHFFFAOYSA-N 0 1 389.463 2.087 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000830079884 601020037 /nfs/dbraw/zinc/02/00/37/601020037.db2.gz BJWIQPLBDFSVMB-MRXNPFEDSA-N 0 1 391.493 2.224 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000830079884 601020043 /nfs/dbraw/zinc/02/00/43/601020043.db2.gz BJWIQPLBDFSVMB-MRXNPFEDSA-N 0 1 391.493 2.224 20 30 GEEDMN CC(C)c1nc(CN(C)[C@H]2CC[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000827152150 601028117 /nfs/dbraw/zinc/02/81/17/601028117.db2.gz AXARBZWNXNXIIS-WMZOPIPTSA-N 0 1 383.452 2.397 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849977 601517570 /nfs/dbraw/zinc/51/75/70/601517570.db2.gz VHYBSGFRNIFLLR-YVEFUNNKSA-N 0 1 384.436 2.209 20 30 GEEDMN N#Cc1ccccc1OCC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833074946 601729844 /nfs/dbraw/zinc/72/98/44/601729844.db2.gz HASOHICFYLACRP-QFIPXVFZSA-N 0 1 393.443 2.173 20 30 GEEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC(CO)c2ccc(F)cc2F)o1 ZINC000824280445 607530384 /nfs/dbraw/zinc/53/03/84/607530384.db2.gz NYURSDNHSUGUMF-UHFFFAOYSA-N 0 1 377.355 2.140 20 30 GEEDMN Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2CC(=O)[O-])cc1C ZINC000832934636 601894713 /nfs/dbraw/zinc/89/47/13/601894713.db2.gz GXUVFCTVSNLHJR-QGZVFWFLSA-N 0 1 375.494 2.442 20 30 GEEDMN Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2CC(=O)[O-])cc1C ZINC000832934636 601894716 /nfs/dbraw/zinc/89/47/16/601894716.db2.gz GXUVFCTVSNLHJR-QGZVFWFLSA-N 0 1 375.494 2.442 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000740312208 602170869 /nfs/dbraw/zinc/17/08/69/602170869.db2.gz CYWPNDDYXVZNMO-IBGZPJMESA-N 0 1 399.495 2.166 20 30 GEEDMN CC(C)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)NC(=O)[O-] ZINC000738784931 602849842 /nfs/dbraw/zinc/84/98/42/602849842.db2.gz MICLBGODUYSZCG-GOSISDBHSA-N 0 1 387.484 2.068 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000831141092 603707234 /nfs/dbraw/zinc/70/72/34/603707234.db2.gz CDZVEFJBEWLVCD-FUHWJXTLSA-N 0 1 391.493 2.186 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000831141092 603707236 /nfs/dbraw/zinc/70/72/36/603707236.db2.gz CDZVEFJBEWLVCD-FUHWJXTLSA-N 0 1 391.493 2.186 20 30 GEEDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000827015377 604512822 /nfs/dbraw/zinc/51/28/22/604512822.db2.gz CFSCBABVOWVJLK-RHSMWYFYSA-N 0 1 382.420 2.034 20 30 GEEDMN COC(=O)c1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(C(=O)[O-])c1 ZINC000833713026 605203775 /nfs/dbraw/zinc/20/37/75/605203775.db2.gz RBXINRXIFXVZGB-UHFFFAOYSA-N 0 1 379.416 2.365 20 30 GEEDMN N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833974628 605521773 /nfs/dbraw/zinc/52/17/73/605521773.db2.gz URBUKBYHTOIBOV-KDOFPFPSSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833974628 605521775 /nfs/dbraw/zinc/52/17/75/605521775.db2.gz URBUKBYHTOIBOV-KDOFPFPSSA-N 0 1 388.443 2.168 20 30 GEEDMN N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000833967058 605670958 /nfs/dbraw/zinc/67/09/58/605670958.db2.gz GXNSBAQVNYFXHK-MISYRCLQSA-N 0 1 387.480 2.489 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833963262 605780877 /nfs/dbraw/zinc/78/08/77/605780877.db2.gz KLGWMSFCLKQSHZ-JKSUJKDBSA-N 0 1 391.431 2.440 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2cccnc2NC(=O)OC(C)(C)C)o1 ZINC000826323000 607783374 /nfs/dbraw/zinc/78/33/74/607783374.db2.gz LLUFRRTXNIFTJU-UHFFFAOYSA-N 0 1 385.388 2.351 20 30 GEEDMN COC(=O)[C@@H](C)n1cccc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000826103117 608388784 /nfs/dbraw/zinc/38/87/84/608388784.db2.gz CTTVUHKAKXFJQF-SNVBAGLBSA-N 0 1 386.416 2.134 20 30 GEEDMN Clc1cc(-c2nn[nH]n2)cc(N=NC2CCN(Cc3ccccn3)CC2)n1 ZINC000826350498 608539744 /nfs/dbraw/zinc/53/97/44/608539744.db2.gz YZLXEZRULFUQMU-UHFFFAOYSA-N 0 1 383.847 2.374 20 30 GEEDMN N#Cc1ccc(CN2CCC(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)o1 ZINC000826384827 608661529 /nfs/dbraw/zinc/66/15/29/608661529.db2.gz LDIKRBUAQRNAFS-UHFFFAOYSA-N 0 1 377.408 2.182 20 30 GEEDMN CC(C)(C)C(=O)Nc1ccncc1CN=Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824071815 609468997 /nfs/dbraw/zinc/46/89/97/609468997.db2.gz NWJMFYWZOLXZOF-UHFFFAOYSA-N 0 1 399.846 2.163 20 30 GEEDMN Cc1cc(C[C@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)n[nH]1 ZINC000450155026 650061337 /nfs/dbraw/zinc/06/13/37/650061337.db2.gz FYRMCNDQFAKPFY-JTQLQIEISA-N 0 1 377.242 2.479 20 30 GEEDMN CN(C)C(=O)CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501047393 650386611 /nfs/dbraw/zinc/38/66/11/650386611.db2.gz CXSZGHRCUKMYIU-MRXNPFEDSA-N 0 1 379.302 2.110 20 30 GEEDMN COCC[C@](C)(C#N)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000508070818 650473521 /nfs/dbraw/zinc/47/35/21/650473521.db2.gz YCORADLTPFLWTN-GFCCVEGCSA-N 0 1 383.214 2.324 20 30 GEEDMN CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)c(F)c1 ZINC000511189851 650529224 /nfs/dbraw/zinc/52/92/24/650529224.db2.gz FOQNHHABKCHCIT-UHFFFAOYSA-N 0 1 383.426 2.064 20 30 GEEDMN Cn1c2ccc(NS(=O)(=O)c3cc(C#N)ccc3Cl)cc2n(C)c1=O ZINC000479506313 650605087 /nfs/dbraw/zinc/60/50/87/650605087.db2.gz XKROBHQQLRKXOB-UHFFFAOYSA-N 0 1 376.825 2.203 20 30 GEEDMN N#Cc1ccc([C@H](NCCCCn2cc(Br)cn2)C(N)=O)cc1 ZINC000481602652 650650360 /nfs/dbraw/zinc/65/03/60/650650360.db2.gz GTTFHFGILFBOSZ-HNNXBMFYSA-N 0 1 376.258 2.114 20 30 GEEDMN CCN(CCNS(=O)(=O)c1c(F)cc(C#N)cc1F)CCC(F)(F)F ZINC000494404983 650806888 /nfs/dbraw/zinc/80/68/88/650806888.db2.gz LKSPHSCWCGIPLZ-UHFFFAOYSA-N 0 1 385.358 2.389 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000171095110 644307725 /nfs/dbraw/zinc/30/77/25/644307725.db2.gz DLBCEIQWRMTPRJ-CQSZACIVSA-N 0 1 376.507 2.205 20 30 GEEDMN N#Cc1cccc(N2CCN(C(=O)c3cccc(Br)c3O)CC2)n1 ZINC000545490110 650976809 /nfs/dbraw/zinc/97/68/09/650976809.db2.gz YYNAPMSSYRECDK-UHFFFAOYSA-N 0 1 387.237 2.384 20 30 GEEDMN CCOC(=O)c1c(C)nn(C)c1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000278456005 646521613 /nfs/dbraw/zinc/52/16/13/646521613.db2.gz YYFPBTWGZHSWNS-UHFFFAOYSA-N 0 1 382.829 2.231 20 30 GEEDMN CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1 ZINC000279973386 646641630 /nfs/dbraw/zinc/64/16/30/646641630.db2.gz PFANWBKBROASHH-UHFFFAOYSA-N 0 1 379.463 2.087 20 30 GEEDMN Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)n[nH]1 ZINC000293619430 647216179 /nfs/dbraw/zinc/21/61/79/647216179.db2.gz HQCUBIXNEZCNOR-SECBINFHSA-N 0 1 390.241 2.038 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000330571733 647345971 /nfs/dbraw/zinc/34/59/71/647345971.db2.gz FSPVOLINWMWYCU-ZIAGYGMSSA-N 0 1 393.456 2.243 20 30 GEEDMN C#CCN1CCC(C(=O)N2CC(=O)Nc3cc(Br)ccc32)CC1 ZINC000362708455 647572038 /nfs/dbraw/zinc/57/20/38/647572038.db2.gz BYUYPKWZHAEOGZ-UHFFFAOYSA-N 0 1 376.254 2.079 20 30 GEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000416965662 648219512 /nfs/dbraw/zinc/21/95/12/648219512.db2.gz UZVBZGCENHACTI-QMMMGPOBSA-N 0 1 379.207 2.419 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCc2ccnc(OC(F)F)c2)c(F)c1 ZINC000560019326 651303545 /nfs/dbraw/zinc/30/35/45/651303545.db2.gz IRJZMODHPNBHBY-UHFFFAOYSA-N 0 1 375.303 2.311 20 30 GEEDMN N#Cc1ccc(N2CCN(C(=O)c3cccc(Br)c3O)CC2)nc1 ZINC000609316595 651615699 /nfs/dbraw/zinc/61/56/99/651615699.db2.gz WLYWWGWIHHRHAG-UHFFFAOYSA-N 0 1 387.237 2.384 20 30 GEEDMN C[C@@]1(CNCCS(=O)(=O)c2cccc(C#N)c2)OCCc2sccc21 ZINC000568742052 651678267 /nfs/dbraw/zinc/67/82/67/651678267.db2.gz FQLSJELWHBAESY-SFHVURJKSA-N 0 1 376.503 2.471 20 30 GEEDMN C#CCN(CCCC(=O)NC(N)=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195718 651693108 /nfs/dbraw/zinc/69/31/08/651693108.db2.gz USQWOPXNILCEPY-AWEZNQCLSA-N 0 1 394.269 2.183 20 30 GEEDMN C#CCN(C[C@@H](O)Cn1cccn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733198214 651693296 /nfs/dbraw/zinc/69/32/96/651693296.db2.gz YXGIWBXDTJRDML-WBVHZDCISA-N 0 1 390.281 2.466 20 30 GEEDMN N#Cc1cc(Cl)c(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)c(Cl)c1 ZINC000611479682 651725590 /nfs/dbraw/zinc/72/55/90/651725590.db2.gz YWECMLCEMCRXLU-UHFFFAOYSA-N 0 1 386.216 2.470 20 30 GEEDMN C[C@]1(CNCCS(=O)(=O)c2ccc(C#N)cc2)OCCc2sccc21 ZINC000572714907 651907429 /nfs/dbraw/zinc/90/74/29/651907429.db2.gz BJOJQGSUIWIGTB-GOSISDBHSA-N 0 1 376.503 2.471 20 30 GEEDMN CCOC(=O)[C@]1(NS(=O)(=O)c2ccc(C#N)s2)CCc2ccccc21 ZINC000619547604 652064302 /nfs/dbraw/zinc/06/43/02/652064302.db2.gz RICTTXPHQCZDBV-KRWDZBQOSA-N 0 1 376.459 2.303 20 30 GEEDMN O=S(=O)(Nc1nccs1)c1ccc(NN=Cc2ccc(CO)o2)cc1 ZINC000748086125 652191301 /nfs/dbraw/zinc/19/13/01/652191301.db2.gz XWRPSUWFZIXPGT-UHFFFAOYSA-N 0 1 378.435 2.475 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1 ZINC000662517517 652465635 /nfs/dbraw/zinc/46/56/35/652465635.db2.gz ICHQOEWRHJDRGZ-CYBMUJFWSA-N 0 1 396.285 2.163 20 30 GEEDMN N#Cc1cnn2cc(CNCc3cc4c(c(Br)c3)OCO4)cnc12 ZINC000584425385 652520768 /nfs/dbraw/zinc/52/07/68/652520768.db2.gz UUQWBEJWQNXRFC-UHFFFAOYSA-N 0 1 386.209 2.382 20 30 GEEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(Br)nn2C)n1 ZINC000759451731 652574429 /nfs/dbraw/zinc/57/44/29/652574429.db2.gz CEBGIBCFFHFRAD-ZETCQYMHSA-N 0 1 383.227 2.306 20 30 GEEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Br)nn2C)n1 ZINC000759451731 652574430 /nfs/dbraw/zinc/57/44/30/652574430.db2.gz CEBGIBCFFHFRAD-ZETCQYMHSA-N 0 1 383.227 2.306 20 30 GEEDMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000601426255 653094125 /nfs/dbraw/zinc/09/41/25/653094125.db2.gz VWSDNUMOMDGXTM-SNVBAGLBSA-N 0 1 383.271 2.262 20 30 GEEDMN C=C(Br)CNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000769077883 653142195 /nfs/dbraw/zinc/14/21/95/653142195.db2.gz SVZOCBOFLUHFSM-CVEARBPZSA-N 0 1 382.302 2.077 20 30 GEEDMN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000876664577 653442072 /nfs/dbraw/zinc/44/20/72/653442072.db2.gz WPZSOLJDRPTUQU-LLVKDONJSA-N 0 1 381.281 2.172 20 30 GEEDMN Cc1cc(Br)c(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1Br ZINC000876801774 653448739 /nfs/dbraw/zinc/44/87/39/653448739.db2.gz INPXOGLBSZNEJS-QPUJVOFHSA-N 0 1 387.075 2.361 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000814138285 653624314 /nfs/dbraw/zinc/62/43/14/653624314.db2.gz PVLVUVVFBQVTDM-NSHDSACASA-N 0 1 376.214 2.041 20 30 GEEDMN O=S(=O)(NC1CC1)c1ccc(NN=C2COc3cccc(Cl)c32)nc1 ZINC000814800048 653639628 /nfs/dbraw/zinc/63/96/28/653639628.db2.gz WYURLWHDUHYQNE-UHFFFAOYSA-N 0 1 378.841 2.384 20 30 GEEDMN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000815082250 653650580 /nfs/dbraw/zinc/65/05/80/653650580.db2.gz HGLOVUHZIDMAQR-UHFFFAOYSA-N 0 1 393.292 2.013 20 30 GEEDMN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000815082250 653650584 /nfs/dbraw/zinc/65/05/84/653650584.db2.gz HGLOVUHZIDMAQR-UHFFFAOYSA-N 0 1 393.292 2.013 20 30 GEEDMN COC(=O)Cc1sccc1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000815453265 653659435 /nfs/dbraw/zinc/65/94/35/653659435.db2.gz AHHGXTSJYJSECA-LLVKDONJSA-N 0 1 378.431 2.262 20 30 GEEDMN COC(=O)Cc1sccc1C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000815453265 653659436 /nfs/dbraw/zinc/65/94/36/653659436.db2.gz AHHGXTSJYJSECA-LLVKDONJSA-N 0 1 378.431 2.262 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)CCc2ccccc2Br)CC1 ZINC000840951674 653703436 /nfs/dbraw/zinc/70/34/36/653703436.db2.gz FRVFYZOFRZUINT-UHFFFAOYSA-N 0 1 399.354 2.399 20 30 GEEDMN C#CCC[NH+]1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000840953802 653703627 /nfs/dbraw/zinc/70/36/27/653703627.db2.gz ZIMRHOPMZOHCKA-UHFFFAOYSA-N 0 1 389.836 2.153 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(I)cc1Cl ZINC000841031723 653705318 /nfs/dbraw/zinc/70/53/18/653705318.db2.gz VYZUCKQOPWVYQL-CPCISQLKSA-N 0 1 390.612 2.178 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000841142519 653707613 /nfs/dbraw/zinc/70/76/13/653707613.db2.gz RHBGYSQZWRYUMH-CPCISQLKSA-N 0 1 390.612 2.178 20 30 GEEDMN C#CC[C@H](CCOC)NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000863785341 653720221 /nfs/dbraw/zinc/72/02/21/653720221.db2.gz DEVVIFSVLXYSLD-LLVKDONJSA-N 0 1 397.216 2.326 20 30 GEEDMN C#CCN(C)CCCNC(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000818609418 653734816 /nfs/dbraw/zinc/73/48/16/653734816.db2.gz UYXIYKQZIYANHL-UHFFFAOYSA-N 0 1 395.297 2.492 20 30 GEEDMN C[C@H](NC(=S)NN=C1C(=O)Nc2cc(O)c(Br)cc21)C1CC1 ZINC000841629388 653737906 /nfs/dbraw/zinc/73/79/06/653737906.db2.gz NFVYJWAMBRMKCW-LURJTMIESA-N 0 1 383.271 2.074 20 30 GEEDMN OC[C@H]1CCCN1N=Cc1ccc(Cl)c(I)c1O ZINC000841657668 653738107 /nfs/dbraw/zinc/73/81/07/653738107.db2.gz OXQIRNDYIAPRSX-SECBINFHSA-N 0 1 380.613 2.441 20 30 GEEDMN CN(C)c1ccc(C#N)cc1CNCCN(C)S(=O)(=O)c1cccs1 ZINC000865506256 653766986 /nfs/dbraw/zinc/76/69/86/653766986.db2.gz QTNODROUOVQOGP-UHFFFAOYSA-N 0 1 378.523 2.096 20 30 GEEDMN C#C[C@@H](NC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000820612559 653778316 /nfs/dbraw/zinc/77/83/16/653778316.db2.gz XREFQTSIQLHOPY-JKIFEVAISA-N 0 1 394.313 2.220 20 30 GEEDMN C=C(C)C[C@@H](NS(=O)(=O)Cc1ncsc1Br)C(=O)OCC ZINC000882644830 653794331 /nfs/dbraw/zinc/79/43/31/653794331.db2.gz COUPDXOQZPEGFX-SECBINFHSA-N 0 1 397.316 2.223 20 30 GEEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnc(I)c(O)c1 ZINC000822638089 653834680 /nfs/dbraw/zinc/83/46/80/653834680.db2.gz RWMGBLYKIOHUKJ-BXKDBHETSA-N 0 1 388.205 2.103 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@@H]1N1CCCC1 ZINC000885117462 653913513 /nfs/dbraw/zinc/91/35/13/653913513.db2.gz ZPUMJNRJRZIUDX-ZWKOTPCHSA-N 0 1 379.551 2.343 20 30 GEEDMN N#Cc1cc(NC(=O)c2cc(Br)n[nH]2)ccc1N1CCC(O)CC1 ZINC000829894187 654083652 /nfs/dbraw/zinc/08/36/52/654083652.db2.gz OUFJKDPNFIEUAV-UHFFFAOYSA-N 0 1 390.241 2.257 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 ZINC000830168862 654103544 /nfs/dbraw/zinc/10/35/44/654103544.db2.gz PNTQJMYRKLQOPZ-UHFFFAOYSA-N 0 1 378.263 2.402 20 30 GEEDMN N#CCSCCC[NH+]1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC000831550507 654191353 /nfs/dbraw/zinc/19/13/53/654191353.db2.gz PAFXWSDLUSPKTI-KGLIPLIRSA-N 0 1 379.448 2.181 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000903637192 654271038 /nfs/dbraw/zinc/27/10/38/654271038.db2.gz IUZZQZMMFUIPQZ-UHFFFAOYSA-N 0 1 396.310 2.087 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000834489168 654329284 /nfs/dbraw/zinc/32/92/84/654329284.db2.gz KEIQRVRJYSOLLK-IAQYHMDHSA-N 0 1 390.237 2.462 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000834493495 654329685 /nfs/dbraw/zinc/32/96/85/654329685.db2.gz DTYDUELABCDSFN-KWQFWETISA-N 0 1 397.323 2.404 20 30 GEEDMN CCc1c(C(=O)N[C@@H]2CNC[C@@H]2C#N)cnn1-c1ccc(Br)cc1 ZINC000834489676 654329882 /nfs/dbraw/zinc/32/98/82/654329882.db2.gz OODDQFIIMGTVRT-XHDPSFHLSA-N 0 1 388.269 2.039 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000834489169 654329913 /nfs/dbraw/zinc/32/99/13/654329913.db2.gz KEIQRVRJYSOLLK-NHYWBVRUSA-N 0 1 390.237 2.462 20 30 GEEDMN Cn1ncc(C(=O)OC(C)(C)C)c1C=NNc1cc(Br)ncn1 ZINC000872436946 654335015 /nfs/dbraw/zinc/33/50/15/654335015.db2.gz VSGXEQWJRBUUCC-UHFFFAOYSA-N 0 1 381.234 2.374 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000922022551 654356002 /nfs/dbraw/zinc/35/60/02/654356002.db2.gz NQUBKJZBWMGRKA-UHFFFAOYSA-N 0 1 389.836 2.105 20 30 GEEDMN N#Cc1ccc(OCC(=O)C(C#N)C(=O)NC2CCCC2)cc1Br ZINC000835071544 654360647 /nfs/dbraw/zinc/36/06/47/654360647.db2.gz QAZHFEWXVSRZKC-AWEZNQCLSA-N 0 1 390.237 2.467 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CCOc2ccc(Br)cc21 ZINC000905852593 654385120 /nfs/dbraw/zinc/38/51/20/654385120.db2.gz JKLHSHSPOKWNSA-MFKMUULPSA-N 0 1 382.258 2.263 20 30 GEEDMN C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COc1cccc(Br)c1C#N ZINC000923264075 654440216 /nfs/dbraw/zinc/44/02/16/654440216.db2.gz FOZGCVCIUWUQJL-QWHCGFSZSA-N 0 1 378.270 2.395 20 30 GEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2ncc(Br)cn2)CC1 ZINC000928363115 654644774 /nfs/dbraw/zinc/64/47/74/654644774.db2.gz RFHBJZUNJRKQQI-OAHLLOKOSA-N 0 1 377.286 2.248 20 30 GEEDMN C#CC[N@@H+](C)CCCNC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909037766 654650607 /nfs/dbraw/zinc/65/06/07/654650607.db2.gz MJDDEHZCWGRNBX-OAHLLOKOSA-N 0 1 386.279 2.243 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(Br)cc3c2OCCO3)CC1 ZINC000928648128 654653995 /nfs/dbraw/zinc/65/39/95/654653995.db2.gz HCNTXVUHGWNWPT-UHFFFAOYSA-N 0 1 379.254 2.048 20 30 GEEDMN C#CCN1CCC(NC(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000928649242 654654301 /nfs/dbraw/zinc/65/43/01/654654301.db2.gz WNHNNTUDWKNBSR-LBPRGKRZSA-N 0 1 378.108 2.096 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000928653413 654654322 /nfs/dbraw/zinc/65/43/22/654654322.db2.gz LOKRHMPQHHGTQF-UHFFFAOYSA-N 0 1 381.270 2.294 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccc(C)c(I)c2)CC1 ZINC000928657902 654654851 /nfs/dbraw/zinc/65/48/51/654654851.db2.gz DLKASHJHKZHWFK-UHFFFAOYSA-N 0 1 382.245 2.427 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cccc(I)c2C)CC1 ZINC000928656316 654654884 /nfs/dbraw/zinc/65/48/84/654654884.db2.gz RYMPOGCNABWKGM-UHFFFAOYSA-N 0 1 382.245 2.427 20 30 GEEDMN C#CCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000928656546 654654895 /nfs/dbraw/zinc/65/48/95/654654895.db2.gz ZCDICKPMMFWTIG-UHFFFAOYSA-N 0 1 380.242 2.114 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000928658928 654655127 /nfs/dbraw/zinc/65/51/27/654655127.db2.gz YOEWRUPRXOFIBN-UHFFFAOYSA-N 0 1 381.270 2.294 20 30 GEEDMN COC(=O)c1cc(NC(=O)NCC#CCN(C)C)c(C)cc1Br ZINC000931408857 654741829 /nfs/dbraw/zinc/74/18/29/654741829.db2.gz XVFVHYGROZZNHH-UHFFFAOYSA-N 0 1 382.258 2.231 20 30 GEEDMN Cn1c(C(=O)NC2(C#N)CCN(C)CC2)cc2cc(Br)cnc21 ZINC000932179100 654769086 /nfs/dbraw/zinc/76/90/86/654769086.db2.gz YENITSDYPCWCRR-UHFFFAOYSA-N 0 1 376.258 2.054 20 30 GEEDMN CN1CCCN(C(=O)Nc2ccc(C#N)cc2I)CC1 ZINC000932551866 654781477 /nfs/dbraw/zinc/78/14/77/654781477.db2.gz WKGIXMKVQQGGHO-UHFFFAOYSA-N 0 1 384.221 2.332 20 30 GEEDMN O=C1NCCN1CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940997 654795013 /nfs/dbraw/zinc/79/50/13/654795013.db2.gz SSJIQRNFPXHDSE-OCAPTIKFSA-N 0 1 381.267 2.114 20 30 GEEDMN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)NCC#CCN(C)C ZINC000913519968 654797028 /nfs/dbraw/zinc/79/70/28/654797028.db2.gz XAXLXWHHNJFCDB-UHFFFAOYSA-N 0 1 377.238 2.159 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C#N)cc(Cl)n4)C3)O2)CC1 ZINC001164886191 721378180 /nfs/dbraw/zinc/37/81/80/721378180.db2.gz DPLBDDRBZNAJDP-PXNSSMCTSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)cc(C#N)n4)C3)O2)CC1 ZINC001164887691 721404310 /nfs/dbraw/zinc/40/43/10/721404310.db2.gz MJQDKWNNCWWJQL-ICSRJNTNSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(C#N)c[nH]c5n4)C3)O2)CC1 ZINC001164889839 721418083 /nfs/dbraw/zinc/41/80/83/721418083.db2.gz RQEVOBHHEUFGNS-GCJKJVERSA-N 0 1 394.523 2.200 20 30 GEEDMN CN1CCN(Cc2cn3c(n2)CN(c2nccc4ccc(C#N)cc42)CC3)CC1 ZINC001164794456 721512214 /nfs/dbraw/zinc/51/22/14/721512214.db2.gz PYZTWAQLBFBQKB-UHFFFAOYSA-N 0 1 387.491 2.071 20 30 GEEDMN N#Cc1ccc([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907313 721531719 /nfs/dbraw/zinc/53/17/19/721531719.db2.gz MXSBXKRMSXTTCZ-NVXWUHKLSA-N 0 1 383.383 2.342 20 30 GEEDMN N#Cc1nc(Cl)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974532 722105809 /nfs/dbraw/zinc/10/58/09/722105809.db2.gz AFWFNLOTBWXHQD-DOTOQJQBSA-N 0 1 384.871 2.124 20 30 GEEDMN C[C@@H](C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)N(C)C ZINC000126905518 532151825 /nfs/dbraw/zinc/15/18/25/532151825.db2.gz UIOKTTKTLUECJG-XJKSGUPXSA-N 0 1 379.302 2.108 20 30 GEEDMN N#Cc1ccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c(Br)c1 ZINC000180927433 532285488 /nfs/dbraw/zinc/28/54/88/532285488.db2.gz HGVVJRVDAMHRQU-MRXNPFEDSA-N 0 1 392.297 2.392 20 30 GEEDMN Cc1c(NC(=O)C(=O)N2CCN(C)CC[C@@H]2C)ccc(Br)c1C#N ZINC000425776169 532395320 /nfs/dbraw/zinc/39/53/20/532395320.db2.gz YKPGCEDZMRNQSN-NSHDSACASA-N 0 1 393.285 2.120 20 30 GEEDMN Cc1cc(NC(=O)CSc2n[nH]c(=S)s2)nn1-c1cccc(C#N)c1 ZINC000372489824 532393832 /nfs/dbraw/zinc/39/38/32/532393832.db2.gz IGZMEVXMVOFQRG-UHFFFAOYSA-N 0 1 388.503 2.923 20 30 GEEDMN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000591324653 532407144 /nfs/dbraw/zinc/40/71/44/532407144.db2.gz HPWLHZSWTJASPI-AWEZNQCLSA-N 0 1 384.299 2.083 20 30 GEEDMN Cc1ncc(S(=O)(=O)Nc2ccccc2SCCC(N)=O)cc1C#N ZINC000427212424 532415600 /nfs/dbraw/zinc/41/56/00/532415600.db2.gz LHMLJENNRWZNGX-UHFFFAOYSA-N 0 1 376.463 2.030 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2SCCC(N)=O)cc1F ZINC000427210044 532415809 /nfs/dbraw/zinc/41/58/09/532415809.db2.gz GFYJQJSPTOLQGS-UHFFFAOYSA-N 0 1 379.438 2.466 20 30 GEEDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593635431 532491040 /nfs/dbraw/zinc/49/10/40/532491040.db2.gz LISZWDVXMJMUAW-ZDUSSCGKSA-N 0 1 394.313 2.167 20 30 GEEDMN CN(C)C(=O)CCCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000520424047 532493425 /nfs/dbraw/zinc/49/34/25/532493425.db2.gz XDSPRZAGPBGHGG-QGZVFWFLSA-N 0 1 393.329 2.500 20 30 GEEDMN C#CCN1CCC(C(=O)N2CCC(Cn3cc(Br)cn3)CC2)CC1 ZINC000374685010 532514396 /nfs/dbraw/zinc/51/43/96/532514396.db2.gz XLTRUZOVQOCJFN-UHFFFAOYSA-N 0 1 393.329 2.229 20 30 GEEDMN Cc1nc2ccc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)cn2n1 ZINC000430361954 532498997 /nfs/dbraw/zinc/49/89/97/532498997.db2.gz VGRMOYXDHMEVSM-UHFFFAOYSA-N 0 1 392.238 2.473 20 30 GEEDMN CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000595075785 532541988 /nfs/dbraw/zinc/54/19/88/532541988.db2.gz YTZNDCZTUVRYSH-GFCCVEGCSA-N 0 1 393.285 2.248 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3nncn3c2)cc1Br ZINC000432950205 532550950 /nfs/dbraw/zinc/55/09/50/532550950.db2.gz PUOKFOQVPRIJLK-UHFFFAOYSA-N 0 1 378.211 2.164 20 30 GEEDMN CCCN1CC[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000595353964 532559469 /nfs/dbraw/zinc/55/94/69/532559469.db2.gz KPZJYSWKMFZOOM-LLVKDONJSA-N 0 1 390.278 2.222 20 30 GEEDMN COC(=O)[C@@]1(C(F)(F)F)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000375752661 532581386 /nfs/dbraw/zinc/58/13/86/532581386.db2.gz FMGGRYWBDOICCH-CQSZACIVSA-N 0 1 375.372 2.376 20 30 GEEDMN CN(C)[C@]1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCSC1 ZINC000435174301 532608613 /nfs/dbraw/zinc/60/86/13/532608613.db2.gz TZLLIZCREIVYEQ-AWEZNQCLSA-N 0 1 393.456 2.293 20 30 GEEDMN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000566673753 532623604 /nfs/dbraw/zinc/62/36/04/532623604.db2.gz ZHOUQCIVLKYNAU-OLZOCXBDSA-N 0 1 398.301 2.077 20 30 GEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000298757522 532672436 /nfs/dbraw/zinc/67/24/36/532672436.db2.gz QJZDIKWWSGMDMJ-QWHCGFSZSA-N 0 1 395.301 2.185 20 30 GEEDMN C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC1(C#N)CCN(C)CC1 ZINC000603641666 532697589 /nfs/dbraw/zinc/69/75/89/532697589.db2.gz LRGGWXBFGZDHJR-LLVKDONJSA-N 0 1 384.249 2.460 20 30 GEEDMN C=CCNc1nnc(SCC(=O)c2ccc(OC)c3c2OCC3=O)s1 ZINC000581516943 532757127 /nfs/dbraw/zinc/75/71/27/532757127.db2.gz DXVQEVJIHORQCM-UHFFFAOYSA-N 0 1 377.447 2.695 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCCN(C)CC1 ZINC000411374383 532759023 /nfs/dbraw/zinc/75/90/23/532759023.db2.gz LWJFFESAKQJBHQ-UHFFFAOYSA-N 0 1 396.285 2.117 20 30 GEEDMN CN1C(=O)c2ccc(S(=O)(=O)Nc3ccc(C#N)c(Cl)c3)cc2C1=O ZINC000540901703 532748251 /nfs/dbraw/zinc/74/82/51/532748251.db2.gz FUWHMVFHHTYHKB-UHFFFAOYSA-N 0 1 375.793 2.238 20 30 GEEDMN CC#CCCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000542672404 532776267 /nfs/dbraw/zinc/77/62/67/532776267.db2.gz MDVIKJUMVQNNHA-UHFFFAOYSA-N 0 1 380.185 2.276 20 30 GEEDMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287503562 532798588 /nfs/dbraw/zinc/79/85/88/532798588.db2.gz QWHUPUIUYSZJHK-UHFFFAOYSA-N 0 1 390.241 2.040 20 30 GEEDMN COc1cc(C(=O)NC[C@@H]2CN(C)CCN2C)cc(Br)c1OC ZINC000330484515 532819257 /nfs/dbraw/zinc/81/92/57/532819257.db2.gz XXRIUTTUQJGCEN-GFCCVEGCSA-N 0 1 386.290 2.017 20 30 GEEDMN COC(=O)c1ccnc(N2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000359976251 209208659 /nfs/dbraw/zinc/20/86/59/209208659.db2.gz GXIIVHZGOSLIGF-UHFFFAOYSA-N 0 1 380.448 2.461 20 30 GEEDMN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)cc1Br ZINC000288864842 532840250 /nfs/dbraw/zinc/84/02/50/532840250.db2.gz QOMDRKBETQZBHA-ZDUSSCGKSA-N 0 1 388.225 2.176 20 30 GEEDMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)n[nH]1 ZINC000288916937 532841956 /nfs/dbraw/zinc/84/19/56/532841956.db2.gz UMSIGKIWKXHYMT-VIFPVBQESA-N 0 1 390.241 2.038 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415571741 532850412 /nfs/dbraw/zinc/85/04/12/532850412.db2.gz UENVTWRGXHQEHE-VXGBXAGGSA-N 0 1 396.285 2.161 20 30 GEEDMN CCc1[nH]nc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000293638594 532929670 /nfs/dbraw/zinc/92/96/70/532929670.db2.gz FZUFZAWSFDOYMD-NSHDSACASA-N 0 1 390.241 2.295 20 30 GEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@@H]21 ZINC000371505565 532948339 /nfs/dbraw/zinc/94/83/39/532948339.db2.gz KBQPDVOMOXGLIO-WFASDCNBSA-N 0 1 384.299 2.035 20 30 GEEDMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1C#N ZINC000818763227 597534857 /nfs/dbraw/zinc/53/48/57/597534857.db2.gz QBEHZBQHKHQABY-KRWDZBQOSA-N 0 1 380.448 2.370 20 30 GEEDMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C(=O)[O-])C2)c1C#N ZINC000818763227 597534858 /nfs/dbraw/zinc/53/48/58/597534858.db2.gz QBEHZBQHKHQABY-KRWDZBQOSA-N 0 1 380.448 2.370 20 30 GEEDMN C=CCN(CC=C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000735418863 598720562 /nfs/dbraw/zinc/72/05/62/598720562.db2.gz KRAIIKZRWGUJIO-UHFFFAOYSA-N 0 1 384.827 2.036 20 30 GEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735419287 598764730 /nfs/dbraw/zinc/76/47/30/598764730.db2.gz RJGKEBUHNSJUPQ-MRXNPFEDSA-N 0 1 396.495 2.299 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CCC(C(=O)[O-])CC3)CC2)cc1 ZINC000739119253 600031149 /nfs/dbraw/zinc/03/11/49/600031149.db2.gz XDODKODTBRYWLJ-UHFFFAOYSA-N 0 1 384.480 2.419 20 30 GEEDMN Cc1c(C(=O)C=Cc2cc(O)ccc2[N+](=O)[O-])c(-c2nn[nH]n2)c2n1CCC2 ZINC000822016037 607460099 /nfs/dbraw/zinc/46/00/99/607460099.db2.gz UHLVEITVYRTIGY-DAXSKMNVSA-N 0 1 380.364 2.433 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](CC(=O)[O-])C2)sc2c1CCCC2 ZINC000833068470 601572481 /nfs/dbraw/zinc/57/24/81/601572481.db2.gz YFOQLVULVMZLSD-LBPRGKRZSA-N 0 1 377.466 2.003 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](CC(=O)[O-])C2)sc2c1CCCC2 ZINC000833068470 601572482 /nfs/dbraw/zinc/57/24/82/601572482.db2.gz YFOQLVULVMZLSD-LBPRGKRZSA-N 0 1 377.466 2.003 20 30 GEEDMN CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NC(CO)c2ccc(F)cc2F)o1 ZINC000824135999 607530093 /nfs/dbraw/zinc/53/00/93/607530093.db2.gz LMPGJGKSIUSLSU-UHFFFAOYSA-N 0 1 377.355 2.239 20 30 GEEDMN Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC000832934631 601894752 /nfs/dbraw/zinc/89/47/52/601894752.db2.gz GXUVFCTVSNLHJR-KRWDZBQOSA-N 0 1 375.494 2.442 20 30 GEEDMN Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC000832934631 601894754 /nfs/dbraw/zinc/89/47/54/601894754.db2.gz GXUVFCTVSNLHJR-KRWDZBQOSA-N 0 1 375.494 2.442 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC000832849412 601926688 /nfs/dbraw/zinc/92/66/88/601926688.db2.gz GHJBNXBOWXZTGQ-HXUWFJFHSA-N 0 1 384.436 2.353 20 30 GEEDMN CN(C[C@@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1)C(=O)[O-] ZINC000739666164 602529547 /nfs/dbraw/zinc/52/95/47/602529547.db2.gz SNSVCCYIWPGJIJ-DZGCQCFKSA-N 0 1 379.420 2.155 20 30 GEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738611112 602529734 /nfs/dbraw/zinc/52/97/34/602529734.db2.gz BVWWHZJBIXSRJY-GJZGRUSLSA-N 0 1 376.432 2.393 20 30 GEEDMN C=CCN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000823919276 607574924 /nfs/dbraw/zinc/57/49/24/607574924.db2.gz BGXLEBJKLSMJPU-UHFFFAOYSA-N 0 1 386.393 2.156 20 30 GEEDMN C=CC[N@H+](CC1CCCCC1)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000738489852 603047881 /nfs/dbraw/zinc/04/78/81/603047881.db2.gz JAFVGNDTVQWDKT-UHFFFAOYSA-N 0 1 378.473 2.077 20 30 GEEDMN C=CC[N@@H+](CC1CCCCC1)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000738489852 603047886 /nfs/dbraw/zinc/04/78/86/603047886.db2.gz JAFVGNDTVQWDKT-UHFFFAOYSA-N 0 1 378.473 2.077 20 30 GEEDMN N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000740312217 603234794 /nfs/dbraw/zinc/23/47/94/603234794.db2.gz DADBDWSLBOXMKD-RBUKOAKNSA-N 0 1 384.480 2.419 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000740312217 603234797 /nfs/dbraw/zinc/23/47/97/603234797.db2.gz DADBDWSLBOXMKD-RBUKOAKNSA-N 0 1 384.480 2.419 20 30 GEEDMN CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)c1 ZINC000833635858 605052648 /nfs/dbraw/zinc/05/26/48/605052648.db2.gz BGZBBYMTXOFRSJ-NVXWUHKLSA-N 0 1 388.468 2.058 20 30 GEEDMN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000833626577 605102702 /nfs/dbraw/zinc/10/27/02/605102702.db2.gz PPCSVWIXQMAFJZ-OAHLLOKOSA-N 0 1 397.431 2.351 20 30 GEEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000833626577 605102706 /nfs/dbraw/zinc/10/27/06/605102706.db2.gz PPCSVWIXQMAFJZ-OAHLLOKOSA-N 0 1 397.431 2.351 20 30 GEEDMN C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)cc1OC ZINC000833377946 605111072 /nfs/dbraw/zinc/11/10/72/605111072.db2.gz RSQPCQSZTVIKMJ-BVBGJJFLSA-N 0 1 388.464 2.281 20 30 GEEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000833628114 605190696 /nfs/dbraw/zinc/19/06/96/605190696.db2.gz BKXXQGNJDHOEAM-CYBMUJFWSA-N 0 1 378.860 2.021 20 30 GEEDMN C[C@@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000833628114 605190697 /nfs/dbraw/zinc/19/06/97/605190697.db2.gz BKXXQGNJDHOEAM-CYBMUJFWSA-N 0 1 378.860 2.021 20 30 GEEDMN C[C@@H]1CN(CCC(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000833628114 605190699 /nfs/dbraw/zinc/19/06/99/605190699.db2.gz BKXXQGNJDHOEAM-CYBMUJFWSA-N 0 1 378.860 2.021 20 30 GEEDMN Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833923503 605322377 /nfs/dbraw/zinc/32/23/77/605322377.db2.gz ZXINMOOPRDEVTJ-BZSNNMDCSA-N 0 1 380.452 2.451 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)s1 ZINC000833971794 605686476 /nfs/dbraw/zinc/68/64/76/605686476.db2.gz NUHHTVZWRLYNMZ-BBRMVZONSA-N 0 1 376.482 2.090 20 30 GEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000833829453 605895199 /nfs/dbraw/zinc/89/51/99/605895199.db2.gz GCIJHMPKGOLOIY-VNHYZAJKSA-N 0 1 379.420 2.202 20 30 GEEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc([O-])cc(Br)c2)c1C#N ZINC000530260702 649969195 /nfs/dbraw/zinc/96/91/95/649969195.db2.gz BGAIHZGGFOKMGK-UHFFFAOYSA-N 0 1 378.230 2.154 20 30 GEEDMN C#CC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1ccccc1 ZINC000823838587 607962065 /nfs/dbraw/zinc/96/20/65/607962065.db2.gz RSGNDRIFPLYSMH-AWEZNQCLSA-N 0 1 380.433 2.184 20 30 GEEDMN C#CC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1ccccc1 ZINC000823838589 607962186 /nfs/dbraw/zinc/96/21/86/607962186.db2.gz RSGNDRIFPLYSMH-CQSZACIVSA-N 0 1 380.433 2.184 20 30 GEEDMN C=CCCC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000823888799 608096781 /nfs/dbraw/zinc/09/67/81/608096781.db2.gz XEHBNMNLMHGGNE-UHFFFAOYSA-N 0 1 388.225 2.479 20 30 GEEDMN N#Cc1ccccc1N1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826387064 608585165 /nfs/dbraw/zinc/58/51/65/608585165.db2.gz FAOQVISNPULWBH-UHFFFAOYSA-N 0 1 399.462 2.098 20 30 GEEDMN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826261421 609139938 /nfs/dbraw/zinc/13/99/38/609139938.db2.gz DZZLLHHVZAHUEM-MRXNPFEDSA-N 0 1 399.418 2.258 20 30 GEEDMN Cc1cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826261421 609139941 /nfs/dbraw/zinc/13/99/41/609139941.db2.gz DZZLLHHVZAHUEM-MRXNPFEDSA-N 0 1 399.418 2.258 20 30 GEEDMN CSc1[nH]c(=O)c(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc1-c1nn[nH]n1 ZINC000826229991 609263742 /nfs/dbraw/zinc/26/37/42/609263742.db2.gz ZHWNBPMKFUHNCU-VIFPVBQESA-N 0 1 397.420 2.232 20 30 GEEDMN Cc1cc(C[C@@H](C)NC(=O)COc2cccc(Br)c2C#N)n[nH]1 ZINC000450159452 650061544 /nfs/dbraw/zinc/06/15/44/650061544.db2.gz STQDRKHMILKHAD-SNVBAGLBSA-N 0 1 377.242 2.479 20 30 GEEDMN CC(C)[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCN1C ZINC000451160908 650091606 /nfs/dbraw/zinc/09/16/06/650091606.db2.gz GPTRGKKJOQDDJX-INIZCTEOSA-N 0 1 380.286 2.498 20 30 GEEDMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000452102221 650173667 /nfs/dbraw/zinc/17/36/67/650173667.db2.gz HKSVIVQDRPAFPL-LBPRGKRZSA-N 0 1 386.315 2.424 20 30 GEEDMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000452109583 650174187 /nfs/dbraw/zinc/17/41/87/650174187.db2.gz YJTHTLDDIGFHMG-ZDUSSCGKSA-N 0 1 386.315 2.424 20 30 GEEDMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cnc(C#N)c(Cl)c1)c1cccs1 ZINC000453573181 650209298 /nfs/dbraw/zinc/20/92/98/650209298.db2.gz IBDRULSGSKHGHS-ZDUSSCGKSA-N 0 1 377.857 2.026 20 30 GEEDMN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(C#N)ccc2NC)cc1 ZINC000507940118 650470064 /nfs/dbraw/zinc/47/00/64/650470064.db2.gz SLWMERHWHCXCJG-UHFFFAOYSA-N 0 1 379.463 2.194 20 30 GEEDMN N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000517018905 650601733 /nfs/dbraw/zinc/60/17/33/650601733.db2.gz WIEXQKSVBWMNAW-AWEZNQCLSA-N 0 1 384.299 2.180 20 30 GEEDMN C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000066813972 642940302 /nfs/dbraw/zinc/94/03/02/642940302.db2.gz ZACGINGGTASJLW-LLVKDONJSA-N 0 1 378.479 2.319 20 30 GEEDMN C=C(Br)CNC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000069117584 643019642 /nfs/dbraw/zinc/01/96/42/643019642.db2.gz XAEZXVCIYZIQMF-UHFFFAOYSA-N 0 1 381.318 2.012 20 30 GEEDMN CS(=O)(=O)CCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000108938142 643285888 /nfs/dbraw/zinc/28/58/88/643285888.db2.gz LEINCHDUAKOHPU-LBPRGKRZSA-N 0 1 377.249 2.466 20 30 GEEDMN CC(C)NC(=O)C(C#N)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000130767658 643849902 /nfs/dbraw/zinc/84/99/02/643849902.db2.gz REYOTYSRNPESFX-ZDUSSCGKSA-N 0 1 377.857 2.246 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1N1CCCC1 ZINC000275472337 646355032 /nfs/dbraw/zinc/35/50/32/646355032.db2.gz MBBBCCNXEOTGRK-GJZGRUSLSA-N 0 1 387.477 2.037 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1N1CCCC1 ZINC000275472349 646355132 /nfs/dbraw/zinc/35/51/32/646355132.db2.gz MBBBCCNXEOTGRK-LSDHHAIUSA-N 0 1 387.477 2.037 20 30 GEEDMN C[C@H]1C[C@H](NC([O-])=[NH+][C@H]2CCn3ccnc3C2)c2ccsc2S1(=O)=O ZINC000329650127 647322085 /nfs/dbraw/zinc/32/20/85/647322085.db2.gz JUAOJKDMONGKPZ-GVXVVHGQSA-N 0 1 380.495 2.070 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@H]1N(C)C ZINC000330578692 647346238 /nfs/dbraw/zinc/34/62/38/647346238.db2.gz JNOBEMMJEZZOCG-CHWSQXEVSA-N 0 1 393.456 2.243 20 30 GEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(n2cc(Br)cn2)CC1 ZINC000363496150 647597508 /nfs/dbraw/zinc/59/75/08/647597508.db2.gz NTPMIFWENXOQNP-ZDUSSCGKSA-N 0 1 382.306 2.291 20 30 GEEDMN CCCS(=O)(=O)Nc1cc(NS(=O)(=O)[C@@H](C#N)CC)c(F)cc1F ZINC000416946098 648217982 /nfs/dbraw/zinc/21/79/82/648217982.db2.gz WYLOWTLMQSLIAM-SECBINFHSA-N 0 1 381.426 2.160 20 30 GEEDMN N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)c1Br ZINC000419668329 648361010 /nfs/dbraw/zinc/36/10/10/648361010.db2.gz AMHXNYVBNMEJCY-LBPRGKRZSA-N 0 1 388.225 2.176 20 30 GEEDMN C[C@H]1CCCN(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000443523451 648880794 /nfs/dbraw/zinc/88/07/94/648880794.db2.gz SSVUPNHWGCNVQV-LBPRGKRZSA-N 0 1 386.315 2.331 20 30 GEEDMN C[C@@H]1CCCN(CCNS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000550826905 651115412 /nfs/dbraw/zinc/11/54/12/651115412.db2.gz OSKYEIVHIRIGQR-GFCCVEGCSA-N 0 1 386.315 2.331 20 30 GEEDMN CN(C)CC#CCNC(=O)c1cc(Cl)ccc1I ZINC000717665581 651475172 /nfs/dbraw/zinc/47/51/72/651475172.db2.gz JXMHRCQTSHRTRR-UHFFFAOYSA-N 0 1 376.625 2.239 20 30 GEEDMN Cc1cccc2c1NC(=O)C2=NNc1ncnc2c1c(Br)nn2C ZINC000726741569 651501437 /nfs/dbraw/zinc/50/14/37/651501437.db2.gz PBCKXAWQJBEMGG-UHFFFAOYSA-N 0 1 386.213 2.203 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)COc1ccc(I)cc1 ZINC000729809594 651579891 /nfs/dbraw/zinc/57/98/91/651579891.db2.gz MONORVQBVSEAME-CQSZACIVSA-N 0 1 399.228 2.311 20 30 GEEDMN CN(CCC#N)C[C@@H](O)CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000567588573 651628020 /nfs/dbraw/zinc/62/80/20/651628020.db2.gz ABQWXVFWRRNSTP-WFASDCNBSA-N 0 1 379.810 2.188 20 30 GEEDMN CN(CCC#N)C[C@H](O)CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000567588570 651628076 /nfs/dbraw/zinc/62/80/76/651628076.db2.gz ABQWXVFWRRNSTP-DOMZBBRYSA-N 0 1 379.810 2.188 20 30 GEEDMN C#CCN1CCC(C(=O)OCC(=O)Nc2ccccc2Br)CC1 ZINC000735939909 651803028 /nfs/dbraw/zinc/80/30/28/651803028.db2.gz LMJJYSYVNHVTFS-UHFFFAOYSA-N 0 1 379.254 2.276 20 30 GEEDMN C[C@@]1(CNCCS(=O)(=O)c2ccc(C#N)cc2)OCCc2sccc21 ZINC000572714908 651907133 /nfs/dbraw/zinc/90/71/33/651907133.db2.gz BJOJQGSUIWIGTB-SFHVURJKSA-N 0 1 376.503 2.471 20 30 GEEDMN CCn1cc(Br)c(=O)c(NS(=O)(=O)CCC(C)(C)C#N)c1 ZINC000573569335 651965694 /nfs/dbraw/zinc/96/56/94/651965694.db2.gz RWNTZJDYXHOKAD-UHFFFAOYSA-N 0 1 376.276 2.312 20 30 GEEDMN CCCN1CCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000573871652 651985001 /nfs/dbraw/zinc/98/50/01/651985001.db2.gz HEQQFIYULRMKDF-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN O=C([O-])COc1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1Br ZINC000753941148 652421068 /nfs/dbraw/zinc/42/10/68/652421068.db2.gz XRLSYBPIXDKTRD-STQMWFEESA-N 0 1 395.257 2.106 20 30 GEEDMN N#CCN1CCC(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000589311405 652565471 /nfs/dbraw/zinc/56/54/71/652565471.db2.gz CNWJXZYDACOIDT-UHFFFAOYSA-N 0 1 375.274 2.107 20 30 GEEDMN N#CC[C@]1(O)CCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000592150962 652589317 /nfs/dbraw/zinc/58/93/17/652589317.db2.gz KYOKEWJFJIXWNB-WFASDCNBSA-N 0 1 389.677 2.193 20 30 GEEDMN N#C[C@H](C(=O)CCn1cnc2ccc(Br)cc2c1=O)c1ccncn1 ZINC000760342502 652604371 /nfs/dbraw/zinc/60/43/71/652604371.db2.gz YJORKCSZQDENHD-ZDUSSCGKSA-N 0 1 398.220 2.216 20 30 GEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000766622227 652889144 /nfs/dbraw/zinc/88/91/44/652889144.db2.gz DEHCINUOWNONJF-LLVKDONJSA-N 0 1 378.431 2.121 20 30 GEEDMN C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1)n1cnc(C#N)n1 ZINC000600470174 652917494 /nfs/dbraw/zinc/91/74/94/652917494.db2.gz GXXMHVZPTCVFED-QMTHXVAHSA-N 0 1 381.267 2.437 20 30 GEEDMN N#Cc1cc(S(=O)(=O)N2CCC(N3CCCOCC3)CC2)ccc1Cl ZINC000601440812 653095380 /nfs/dbraw/zinc/09/53/80/653095380.db2.gz YPAJEZJIGLLZIW-UHFFFAOYSA-N 0 1 383.901 2.087 20 30 GEEDMN C#C[C@H](NC(=O)c1n[nH]c2ccc(I)cc21)[C@H]1CCCO1 ZINC000772883041 653170735 /nfs/dbraw/zinc/17/07/35/653170735.db2.gz QVXRATGDVWTBIV-WCQYABFASA-N 0 1 395.200 2.078 20 30 GEEDMN C[C@@H]1CN(C[C@@H](O)COc2ccc(Br)cc2)C[C@@H](C)N1CC#N ZINC000602858075 653210165 /nfs/dbraw/zinc/21/01/65/653210165.db2.gz YRJCOOZKTAGRPL-IIAWOOMASA-N 0 1 382.302 2.107 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1scc(Br)c1Br ZINC000876801882 653449281 /nfs/dbraw/zinc/44/92/81/653449281.db2.gz KBOHUTJUCKLEAB-FSPLSTOPSA-N 0 1 379.077 2.114 20 30 GEEDMN C[C@H]1C[NH+]=C(NN=Cc2cc(Br)c([O-])c(Br)c2)N1 ZINC000779798784 653611045 /nfs/dbraw/zinc/61/10/45/653611045.db2.gz HINCPODARNEGEL-LURJTMIESA-N 0 1 376.052 2.188 20 30 GEEDMN C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000779848408 653612682 /nfs/dbraw/zinc/61/26/82/653612682.db2.gz NBGXCATUDNMXDK-LBPRGKRZSA-N 0 1 380.447 2.182 20 30 GEEDMN O=[N+]([O-])c1ccc(C=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)s1 ZINC000782225503 653657342 /nfs/dbraw/zinc/65/73/42/653657342.db2.gz RQPSDYMMAMDQEE-UHFFFAOYSA-N 0 1 381.439 2.282 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000840951878 653703422 /nfs/dbraw/zinc/70/34/22/653703422.db2.gz KYJHUZPHOVHDJE-UHFFFAOYSA-N 0 1 385.873 2.323 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 ZINC000840952069 653703446 /nfs/dbraw/zinc/70/34/46/653703446.db2.gz QKJAPHVVSHNVJW-UHFFFAOYSA-N 0 1 376.400 2.193 20 30 GEEDMN CCOC(=O)c1c(NC(=O)N[C@@H]2CNC[C@@H]2C#N)sc2c1CCCS2 ZINC000841157641 653708436 /nfs/dbraw/zinc/70/84/36/653708436.db2.gz IPQZYBKPUTZZJH-GXSJLCMTSA-N 0 1 380.495 2.196 20 30 GEEDMN COc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cnc1Br ZINC000788351413 653754759 /nfs/dbraw/zinc/75/47/59/653754759.db2.gz YRDHYGKGOCKFAH-SNVBAGLBSA-N 0 1 375.182 2.209 20 30 GEEDMN COc1cc(CNCCNC(=O)C2N=CC=CC2=O)c(F)cc1Br ZINC000865463418 653766078 /nfs/dbraw/zinc/76/60/78/653766078.db2.gz ZZBQSFUBXIWPTO-FOCLMDBBSA-N 0 1 398.232 2.213 20 30 GEEDMN C#CC[C@H](CO)NCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000883125349 653829642 /nfs/dbraw/zinc/82/96/42/653829642.db2.gz GJVVXGDCWQODIC-MRXNPFEDSA-N 0 1 387.307 2.178 20 30 GEEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnc(I)c(O)c1 ZINC000822638090 653834639 /nfs/dbraw/zinc/83/46/39/653834639.db2.gz RWMGBLYKIOHUKJ-CABZTGNLSA-N 0 1 388.205 2.103 20 30 GEEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cnc(I)c(O)c1 ZINC000822638091 653834786 /nfs/dbraw/zinc/83/47/86/653834786.db2.gz RWMGBLYKIOHUKJ-JOYOIKCWSA-N 0 1 388.205 2.103 20 30 GEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnc(I)c(O)c1 ZINC000822638092 653834817 /nfs/dbraw/zinc/83/48/17/653834817.db2.gz RWMGBLYKIOHUKJ-SKDRFNHKSA-N 0 1 388.205 2.103 20 30 GEEDMN Brc1n[nH]c(Br)c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000793033485 653863157 /nfs/dbraw/zinc/86/31/57/653863157.db2.gz BSUKZLNDWUELQH-YUMQZZPRSA-N 0 1 390.083 2.129 20 30 GEEDMN Cc1nsc(NC(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1C#N ZINC000823311553 653861950 /nfs/dbraw/zinc/86/19/50/653861950.db2.gz NYCRMVBYBVHNFH-XCBNKYQSSA-N 0 1 375.376 2.244 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@@H]1N1CCCC1 ZINC000885117460 653913402 /nfs/dbraw/zinc/91/34/02/653913402.db2.gz ZPUMJNRJRZIUDX-ROUUACIJSA-N 0 1 379.551 2.343 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@H]1N1CCCC1 ZINC000885117458 653913410 /nfs/dbraw/zinc/91/34/10/653913410.db2.gz ZPUMJNRJRZIUDX-QZTJIDSGSA-N 0 1 379.551 2.343 20 30 GEEDMN Cc1cnn(C)c1C=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000794914716 653924029 /nfs/dbraw/zinc/92/40/29/653924029.db2.gz IFFNWARRGKZWCR-UHFFFAOYSA-N 0 1 376.467 2.432 20 30 GEEDMN C#CCN1CCN(C(=O)CN2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000795575556 653959711 /nfs/dbraw/zinc/95/97/11/653959711.db2.gz WRISJRKFOYITIN-SFHVURJKSA-N 0 1 377.941 2.284 20 30 GEEDMN CC(=O)c1cc(Br)ccc1OCC(=O)C(C#N)C(=O)NC(C)C ZINC000796792154 654008456 /nfs/dbraw/zinc/00/84/56/654008456.db2.gz IVXFXWCYHPFMMM-CYBMUJFWSA-N 0 1 381.226 2.264 20 30 GEEDMN C#CCCN(CCOC)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000827826342 654009602 /nfs/dbraw/zinc/00/96/02/654009602.db2.gz DJRDYFXJHWHYOD-AWEZNQCLSA-N 0 1 397.313 2.434 20 30 GEEDMN C#CCNC(=O)CCNCc1cc(Cl)ccc1I ZINC000849327585 654013053 /nfs/dbraw/zinc/01/30/53/654013053.db2.gz OUKUQFYEYRAFAA-UHFFFAOYSA-N 0 1 376.625 2.174 20 30 GEEDMN Cc1nc([C@H](C)OC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n[nH]1 ZINC000829447444 654067589 /nfs/dbraw/zinc/06/75/89/654067589.db2.gz JSRKGIAWRRCRFI-VIFPVBQESA-N 0 1 390.241 2.488 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 ZINC000830162110 654102431 /nfs/dbraw/zinc/10/24/31/654102431.db2.gz FJOAGRAJUAAJCT-UHFFFAOYSA-N 0 1 389.249 2.383 20 30 GEEDMN C#CCN1CCC(NC(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 ZINC000830169456 654103529 /nfs/dbraw/zinc/10/35/29/654103529.db2.gz XRQHHPYRUWZWRS-OAHLLOKOSA-N 0 1 390.281 2.089 20 30 GEEDMN COC(=O)[C@@H](NS(=O)(=O)CC(C)(C)C#N)c1ccccc1Br ZINC000917363383 654121532 /nfs/dbraw/zinc/12/15/32/654121532.db2.gz LZEBHULYJNOBMN-LBPRGKRZSA-N 0 1 389.271 2.132 20 30 GEEDMN C#CC[C@H](CCOC)NS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000918463127 654151509 /nfs/dbraw/zinc/15/15/09/654151509.db2.gz NSVWMGJFEIVCNM-OIRASMEMSA-N 0 1 398.428 2.296 20 30 GEEDMN C#CC[C@H](CCOC)NS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000918463128 654151688 /nfs/dbraw/zinc/15/16/88/654151688.db2.gz NSVWMGJFEIVCNM-YYUOZPCZSA-N 0 1 398.428 2.296 20 30 GEEDMN C=C(Br)C[NH+]1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1 ZINC000831549856 654191309 /nfs/dbraw/zinc/19/13/09/654191309.db2.gz FPUNBRGNKXYBMN-NEPJUHHUSA-N 0 1 385.224 2.443 20 30 GEEDMN C#CCC1(NS(=O)(=O)c2c(O)cccc2OC(F)(F)F)CCOCC1 ZINC000919961522 654197375 /nfs/dbraw/zinc/19/73/75/654197375.db2.gz RCRDMWISUMGHGN-UHFFFAOYSA-N 0 1 379.356 2.142 20 30 GEEDMN CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2snc(C)c2C#N)CC1 ZINC000852061889 654215937 /nfs/dbraw/zinc/21/59/37/654215937.db2.gz SYWZRAOOPLLYTG-CQSZACIVSA-N 0 1 388.430 2.030 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cscc2Br)CC1 ZINC000872006407 654310354 /nfs/dbraw/zinc/31/03/54/654310354.db2.gz FTBKISGCCVYNQI-UHFFFAOYSA-N 0 1 377.329 2.277 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000834488205 654329258 /nfs/dbraw/zinc/32/92/58/654329258.db2.gz AIVOWNQDIGGSTK-IAQYHMDHSA-N 0 1 390.237 2.462 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000834494404 654329856 /nfs/dbraw/zinc/32/98/56/654329856.db2.gz MTRBMWCYBHTLSD-APPZFPTMSA-N 0 1 383.296 2.475 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000834494944 654330300 /nfs/dbraw/zinc/33/03/00/654330300.db2.gz REVFCFLPIZPEPL-BXUZGUMPSA-N 0 1 389.253 2.264 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Br)s1 ZINC000922025978 654356883 /nfs/dbraw/zinc/35/68/83/654356883.db2.gz KIZCELXUDOMZGF-UHFFFAOYSA-N 0 1 377.329 2.229 20 30 GEEDMN Cc1ccnc(CNc2n[nH]c(N3CCOCC3)c2C#N)c1Br ZINC000922361379 654386669 /nfs/dbraw/zinc/38/66/69/654386669.db2.gz RBAKXYNQMRADAG-UHFFFAOYSA-N 0 1 377.246 2.196 20 30 GEEDMN CN1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000872663564 654387239 /nfs/dbraw/zinc/38/72/39/654387239.db2.gz KJUOYOPQBMSRQS-GJZGRUSLSA-N 0 1 384.299 2.178 20 30 GEEDMN C#CCCN(CCOC)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000856388576 654479178 /nfs/dbraw/zinc/47/91/78/654479178.db2.gz KBTGREFKJAGTPA-UHFFFAOYSA-N 0 1 397.216 2.279 20 30 GEEDMN C#CCN1CCC(NC(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000928653696 654654376 /nfs/dbraw/zinc/65/43/76/654654376.db2.gz XCFYMPBUQZOHTL-UHFFFAOYSA-N 0 1 375.270 2.233 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000928655944 654654826 /nfs/dbraw/zinc/65/48/26/654654826.db2.gz FBCCQKQELOZXGK-UHFFFAOYSA-N 0 1 384.205 2.324 20 30 GEEDMN C#CCN1CCC(NC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000929309213 654678980 /nfs/dbraw/zinc/67/89/80/654678980.db2.gz SMOJQKBNEXZVKY-UHFFFAOYSA-N 0 1 394.269 2.439 20 30 GEEDMN Cc1c(C=NNc2ccc(S(N)(=O)=O)cn2)sc2nc(C)nc(C)c12 ZINC000914697173 654856523 /nfs/dbraw/zinc/85/65/23/654856523.db2.gz HWZAAFXVMMBUBL-UHFFFAOYSA-N 0 1 376.467 2.105 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(Cl)c4C#N)C3)O2)CC1 ZINC001164890943 721395397 /nfs/dbraw/zinc/39/53/97/721395397.db2.gz PKOZYZLWEFGKJU-UZLBHIALSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4C#N)C3)O2)CC1 ZINC001164890795 721427208 /nfs/dbraw/zinc/42/72/08/721427208.db2.gz FUQXMSUXEQEFEB-UYAOXDASSA-N 0 1 389.931 2.372 20 30 GEEDMN COc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1C#N ZINC001164795621 721526767 /nfs/dbraw/zinc/52/67/67/721526767.db2.gz PHPYPZBRTQKYOT-LVCYWYKZSA-N 0 1 379.464 2.225 20 30 GEEDMN COc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1C#N ZINC001164795622 721526908 /nfs/dbraw/zinc/52/69/08/721526908.db2.gz PHPYPZBRTQKYOT-WFXMLNOXSA-N 0 1 379.464 2.225 20 30 GEEDMN N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902814 721528508 /nfs/dbraw/zinc/52/85/08/721528508.db2.gz BHWYGVBRBHNQQX-AEFFLSMTSA-N 0 1 383.383 2.342 20 30 GEEDMN Cc1nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cnc1C#N ZINC001164962218 722058767 /nfs/dbraw/zinc/05/87/67/722058767.db2.gz QFHIQFGBYUGQSP-UHFFFAOYSA-N 0 1 378.480 2.171 20 30 GEEDMN N#Cc1nc(Cl)cnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974540 722105568 /nfs/dbraw/zinc/10/55/68/722105568.db2.gz AFWFNLOTBWXHQD-RDJZCZTQSA-N 0 1 384.871 2.124 20 30 GEEDMN C=CCOC[C@@H]1CCC[C@@]12CN(c1cccc(N3CCN(C)CC3)n1)CCO2 ZINC001164974620 722168548 /nfs/dbraw/zinc/16/85/48/722168548.db2.gz GKYKACFOLHHINW-SIKLNZKXSA-N 0 1 386.540 2.412 20 30 GEEDMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CCN1C ZINC000155239126 531669075 /nfs/dbraw/zinc/66/90/75/531669075.db2.gz COTIKVHMZBYOID-RISCZKNCSA-N 0 1 386.315 2.424 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)NC2CCN(C3CC3)CC2)c1 ZINC000155099820 531655082 /nfs/dbraw/zinc/65/50/82/531655082.db2.gz TZCAWUSVPZQMLG-UHFFFAOYSA-N 0 1 384.299 2.226 20 30 GEEDMN C=CCCOCCNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000155453204 531684991 /nfs/dbraw/zinc/68/49/91/531684991.db2.gz OPYKJNWSHSMRAJ-UHFFFAOYSA-N 0 1 385.205 2.490 20 30 GEEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(Br)cc1 ZINC000125446834 532136323 /nfs/dbraw/zinc/13/63/23/532136323.db2.gz SYUUUUNMJFOMOC-UHFFFAOYSA-N 0 1 391.273 2.129 20 30 GEEDMN CC[C@@H](C#N)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179935462 532251246 /nfs/dbraw/zinc/25/12/46/532251246.db2.gz ZBUHLCLEMZUHMX-VIFPVBQESA-N 0 1 381.173 2.165 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000180933898 532285274 /nfs/dbraw/zinc/28/52/74/532285274.db2.gz ZMMXDQPJHRHODD-ZDUSSCGKSA-N 0 1 396.270 2.355 20 30 GEEDMN C[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000182061518 532308714 /nfs/dbraw/zinc/30/87/14/532308714.db2.gz JMHXRFQQTJOCSY-ZFWWWQNUSA-N 0 1 380.491 2.136 20 30 GEEDMN C#CC[N@H+](C)CCCNC(=O)NCc1cc(Br)c(OC)c(OC)c1 ZINC000296463241 532523273 /nfs/dbraw/zinc/52/32/73/532523273.db2.gz WBHNFKGDMYLKAE-UHFFFAOYSA-N 0 1 398.301 2.221 20 30 GEEDMN CC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1 ZINC000245909077 532525592 /nfs/dbraw/zinc/52/55/92/532525592.db2.gz UWNBIBIDRNFKRS-HZPDHXFCSA-N 0 1 378.567 2.284 20 30 GEEDMN CN(C)[C@@]1(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCSC1 ZINC000435174302 532609617 /nfs/dbraw/zinc/60/96/17/532609617.db2.gz TZLLIZCREIVYEQ-CQSZACIVSA-N 0 1 393.456 2.293 20 30 GEEDMN COC(=O)CCSc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000535896173 532689289 /nfs/dbraw/zinc/68/92/89/532689289.db2.gz YHUOBAXMFJCYDC-UHFFFAOYSA-N 0 1 377.447 2.409 20 30 GEEDMN C=CCNC(=O)CN[C@@H]1CCCOc2ccc(I)cc21 ZINC000540780269 532744393 /nfs/dbraw/zinc/74/43/93/532744393.db2.gz VLKIIFHREDFTEQ-CYBMUJFWSA-N 0 1 386.233 2.397 20 30 GEEDMN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000328679598 532794784 /nfs/dbraw/zinc/79/47/84/532794784.db2.gz NBNPFVWIHMJIGG-IUODEOHRSA-N 0 1 386.949 2.358 20 30 GEEDMN C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000329681708 532810088 /nfs/dbraw/zinc/81/00/88/532810088.db2.gz SAXJVLCWSNJDQA-ITNZAGEZSA-N 0 1 387.615 2.493 20 30 GEEDMN CN1CCOC[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000328961772 532801396 /nfs/dbraw/zinc/80/13/96/532801396.db2.gz QSSRKBSNGAAKGN-GFCCVEGCSA-N 0 1 380.246 2.021 20 30 GEEDMN CN1CCOC[C@@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000328961772 532801399 /nfs/dbraw/zinc/80/13/99/532801399.db2.gz QSSRKBSNGAAKGN-GFCCVEGCSA-N 0 1 380.246 2.021 20 30 GEEDMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCCC2 ZINC000329073415 532801895 /nfs/dbraw/zinc/80/18/95/532801895.db2.gz OTYUAZDQHLLFGM-NWDGAFQWSA-N 0 1 386.543 2.060 20 30 GEEDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000329821636 532812370 /nfs/dbraw/zinc/81/23/70/532812370.db2.gz GVICDVXMELJYSX-OCCSQVGLSA-N 0 1 383.539 2.320 20 30 GEEDMN C[C@@H](NC(=O)CN1CCn2c(=O)[nH]nc2C1)c1ccc(Br)cc1 ZINC000330029337 532813634 /nfs/dbraw/zinc/81/36/34/532813634.db2.gz PVCFPWGRHAACQG-SNVBAGLBSA-N 0 1 380.246 2.280 20 30 GEEDMN CN1CCN(C)[C@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000330248427 532816476 /nfs/dbraw/zinc/81/64/76/532816476.db2.gz ZIDJLAKUMAMUBH-LLVKDONJSA-N 0 1 393.285 2.253 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1N1CCCC1 ZINC000332096280 532849149 /nfs/dbraw/zinc/84/91/49/532849149.db2.gz XIZGQWJITUDCMC-GJZGRUSLSA-N 0 1 385.942 2.412 20 30 GEEDMN CCc1nc([C@H](C)NS(=O)(=O)c2cc(Br)ccc2C#N)n[nH]1 ZINC000416444295 532877416 /nfs/dbraw/zinc/87/74/16/532877416.db2.gz XUFDCSXJBIJVMA-QMMMGPOBSA-N 0 1 384.259 2.041 20 30 GEEDMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000367675759 532926446 /nfs/dbraw/zinc/92/64/46/532926446.db2.gz ZXCUWZQEVCPKEO-GFCCVEGCSA-N 0 1 386.315 2.426 20 30 GEEDMN CCOc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000736635559 598948340 /nfs/dbraw/zinc/94/83/40/598948340.db2.gz XRUSFKJQLWREME-UHFFFAOYSA-N 0 1 384.421 2.246 20 30 GEEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC/C=C/c1ccc(Br)cc1 ZINC000737705392 599221124 /nfs/dbraw/zinc/22/11/24/599221124.db2.gz OQOGJHXUSGCPBQ-HNQUOIGGSA-N 0 1 385.229 2.383 20 30 GEEDMN Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1NC(=O)C[NH+]1CCCCC1 ZINC000821088019 598225666 /nfs/dbraw/zinc/22/56/66/598225666.db2.gz MYLHJWQLZMQASK-FQEVSTJZSA-N 0 1 386.452 2.363 20 30 GEEDMN C#Cc1cccc(NC(=S)NNc2oc(C(C)(C)C)nc2-c2nn[nH]n2)c1 ZINC000735391961 598323000 /nfs/dbraw/zinc/32/30/00/598323000.db2.gz YWTBTVPJOZERQI-UHFFFAOYSA-N 0 1 382.453 2.447 20 30 GEEDMN CCOCCOCC(=O)C(C#N)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000736623366 598331972 /nfs/dbraw/zinc/33/19/72/598331972.db2.gz FKOYGDHPTSANLB-CQSZACIVSA-N 0 1 398.448 2.220 20 30 GEEDMN C#CCCCOC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735374451 598412088 /nfs/dbraw/zinc/41/20/88/598412088.db2.gz CYNNESSVYYOQDW-UHFFFAOYSA-N 0 1 396.407 2.288 20 30 GEEDMN CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2nccn2CC(F)(F)F)o1 ZINC000735656055 598496410 /nfs/dbraw/zinc/49/64/10/598496410.db2.gz HNENIOUZWQKFKP-UHFFFAOYSA-N 0 1 383.338 2.357 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2sc(N3CCCC3)nc2Cl)o1 ZINC000737467762 599368057 /nfs/dbraw/zinc/36/80/57/599368057.db2.gz SLZFUMZVHNJBSJ-UHFFFAOYSA-N 0 1 379.837 2.319 20 30 GEEDMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1-c1nn[nH]n1 ZINC000821971097 599553195 /nfs/dbraw/zinc/55/31/95/599553195.db2.gz XOYDDBMHYJFUFN-VIFPVBQESA-N 0 1 381.421 2.052 20 30 GEEDMN C#CCN(CC#CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000819697587 599581882 /nfs/dbraw/zinc/58/18/82/599581882.db2.gz IIHTWJVYYBFLPT-UHFFFAOYSA-N 0 1 396.520 2.484 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000739066190 600512507 /nfs/dbraw/zinc/51/25/07/600512507.db2.gz GYMAJJIZJHVBBY-JKSUJKDBSA-N 0 1 394.431 2.179 20 30 GEEDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000827375267 601101037 /nfs/dbraw/zinc/10/10/37/601101037.db2.gz SFKZBQSDGWWYKD-HNNXBMFYSA-N 0 1 397.431 2.351 20 30 GEEDMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C[C@H](O)c1ccccc1 ZINC000828413132 601315181 /nfs/dbraw/zinc/31/51/81/601315181.db2.gz PRKQIKXHWOXWAR-CZAAIQMYSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000828413132 601315184 /nfs/dbraw/zinc/31/51/84/601315184.db2.gz PRKQIKXHWOXWAR-CZAAIQMYSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000828413132 601315186 /nfs/dbraw/zinc/31/51/86/601315186.db2.gz PRKQIKXHWOXWAR-CZAAIQMYSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000825977267 601924915 /nfs/dbraw/zinc/92/49/15/601924915.db2.gz BTQCWUMRYDGHFX-CJNGLKHVSA-N 0 1 379.457 2.353 20 30 GEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000825977267 601924917 /nfs/dbraw/zinc/92/49/17/601924917.db2.gz BTQCWUMRYDGHFX-CJNGLKHVSA-N 0 1 379.457 2.353 20 30 GEEDMN N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@H]4CCCN4C(=O)[O-])CC3)C2=O)cc1 ZINC000740316426 602282654 /nfs/dbraw/zinc/28/26/54/602282654.db2.gz XFWIFPLGULCBHD-MSOLQXFVSA-N 0 1 396.447 2.045 20 30 GEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179127 602762186 /nfs/dbraw/zinc/76/21/86/602762186.db2.gz VGVBOKSMXVSKHK-CKEIUWERSA-N 0 1 376.432 2.439 20 30 GEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179127 602762189 /nfs/dbraw/zinc/76/21/89/602762189.db2.gz VGVBOKSMXVSKHK-CKEIUWERSA-N 0 1 376.432 2.439 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831075783 603987666 /nfs/dbraw/zinc/98/76/66/603987666.db2.gz DBGHVNYLFQFOMQ-OWCLPIDISA-N 0 1 391.431 2.440 20 30 GEEDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000827015366 604512888 /nfs/dbraw/zinc/51/28/88/604512888.db2.gz CFSCBABVOWVJLK-PBHICJAKSA-N 0 1 382.420 2.034 20 30 GEEDMN C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000833628913 604607253 /nfs/dbraw/zinc/60/72/53/604607253.db2.gz CBWHAUQPAGOILJ-KKSFZXQISA-N 0 1 379.460 2.496 20 30 GEEDMN C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[N@@H+]1CCC(=O)[O-] ZINC000833621761 605256820 /nfs/dbraw/zinc/25/68/20/605256820.db2.gz JSCCUIOKLNXTME-HNNXBMFYSA-N 0 1 397.431 2.351 20 30 GEEDMN C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CC[N@H+]1CCC(=O)[O-] ZINC000833621761 605256821 /nfs/dbraw/zinc/25/68/21/605256821.db2.gz JSCCUIOKLNXTME-HNNXBMFYSA-N 0 1 397.431 2.351 20 30 GEEDMN N#CCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000833966662 605364759 /nfs/dbraw/zinc/36/47/59/605364759.db2.gz CGROTEHXANASIV-OALUTQOASA-N 0 1 384.480 2.223 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c(F)c1 ZINC000833972079 605514242 /nfs/dbraw/zinc/51/42/42/605514242.db2.gz UQTGQHUIASKDKF-CRAIPNDOSA-N 0 1 388.443 2.168 20 30 GEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000833835415 605894480 /nfs/dbraw/zinc/89/44/80/605894480.db2.gz YZWMGNLNKJTWHW-RYUDHWBXSA-N 0 1 376.482 2.415 20 30 GEEDMN C=C[C@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823882961 608021878 /nfs/dbraw/zinc/02/18/78/608021878.db2.gz HCRQEAUUHRTHGA-CYBMUJFWSA-N 0 1 380.456 2.040 20 30 GEEDMN C=C[C@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823882961 608021879 /nfs/dbraw/zinc/02/18/79/608021879.db2.gz HCRQEAUUHRTHGA-CYBMUJFWSA-N 0 1 380.456 2.040 20 30 GEEDMN Clc1cc(-c2nn[nH]n2)cc(NN=C2CCOc3cc4c(cc32)OCO4)n1 ZINC000826350354 608534602 /nfs/dbraw/zinc/53/46/02/608534602.db2.gz SAFFFAHEVVDKLH-UHFFFAOYSA-N 0 1 385.771 2.243 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2cc3c(s2)SCC(=O)N3)o1 ZINC000823962404 609410109 /nfs/dbraw/zinc/41/01/09/609410109.db2.gz JXBVVZBWELNVMU-UHFFFAOYSA-N 0 1 376.427 2.105 20 30 GEEDMN CC(C)CN1CCO[C@@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448604415 650017751 /nfs/dbraw/zinc/01/77/51/650017751.db2.gz MWCINTBUTUVYOC-AWEZNQCLSA-N 0 1 380.286 2.407 20 30 GEEDMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCc2ccc(C#N)cc21 ZINC000451336119 650104766 /nfs/dbraw/zinc/10/47/66/650104766.db2.gz DUFXOWGOOJFLSS-CYBMUJFWSA-N 0 1 376.356 2.135 20 30 GEEDMN CC1(C)CCCN1CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000452086528 650172098 /nfs/dbraw/zinc/17/20/98/650172098.db2.gz LGYALZOKKOMOBT-UHFFFAOYSA-N 0 1 386.315 2.473 20 30 GEEDMN CCN1CCN(CC(C)(C)NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000456889010 650365496 /nfs/dbraw/zinc/36/54/96/650365496.db2.gz XOYFJADXCQMUND-UHFFFAOYSA-N 0 1 393.329 2.467 20 30 GEEDMN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1(C#N)CCN(C)CC1 ZINC000522171960 650623268 /nfs/dbraw/zinc/62/32/68/650623268.db2.gz YQVDHTZLIUNPOM-LLVKDONJSA-N 0 1 383.279 2.216 20 30 GEEDMN CN1c2ccc(NS(=O)(=O)c3cc(C#N)ccc3Cl)cc2OCC1=O ZINC000524943894 650648664 /nfs/dbraw/zinc/64/86/64/650648664.db2.gz DZLBTQKPCAHBQJ-UHFFFAOYSA-N 0 1 377.809 2.368 20 30 GEEDMN C[C@]1(Br)C[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000528919607 650699058 /nfs/dbraw/zinc/69/90/58/650699058.db2.gz PVQYRFDLQZWDBJ-UVWXRNBGSA-N 0 1 379.210 2.279 20 30 GEEDMN CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2C[C@]2(C)Br)cc1 ZINC000528925626 650699237 /nfs/dbraw/zinc/69/92/37/650699237.db2.gz VTWXIAJTWJTZAX-XNJGSVPQSA-N 0 1 392.253 2.209 20 30 GEEDMN N#C[C@H](C(=O)CN1C(=O)COc2cc(Br)ccc21)c1ccccn1 ZINC000049458711 642668756 /nfs/dbraw/zinc/66/87/56/642668756.db2.gz JQKZYMUIKVMBQG-LBPRGKRZSA-N 0 1 386.205 2.446 20 30 GEEDMN C=CCOc1c(Br)cc(CN(C)CC(C)(CO)CO)cc1OC ZINC000093502727 643077806 /nfs/dbraw/zinc/07/78/06/643077806.db2.gz ZEOVRNQWRLYXFG-UHFFFAOYSA-N 0 1 388.302 2.445 20 30 GEEDMN C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H](C)S1 ZINC000539368895 650843477 /nfs/dbraw/zinc/84/34/77/650843477.db2.gz WMFBRRHSVQEAMV-OAGGEKHMSA-N 0 1 378.567 2.283 20 30 GEEDMN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC#N)CCCN(C)C)c1 ZINC000118320453 643509661 /nfs/dbraw/zinc/50/96/61/643509661.db2.gz IMJXXFKBKCMHNJ-UHFFFAOYSA-N 0 1 385.917 2.441 20 30 GEEDMN N#CC1(c2ccccc2)CC(NC[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000128179629 643794842 /nfs/dbraw/zinc/79/48/42/643794842.db2.gz XAJBSTTXJYATHA-UPTPFMHGSA-N 0 1 376.503 2.096 20 30 GEEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000546620391 651004735 /nfs/dbraw/zinc/00/47/35/651004735.db2.gz RLDSACOWUIBOHS-UHFFFAOYSA-N 0 1 380.447 2.080 20 30 GEEDMN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000271717710 646224215 /nfs/dbraw/zinc/22/42/15/646224215.db2.gz CMYBQNHDYRYRGA-BSEYFRJRSA-N 0 1 376.503 2.420 20 30 GEEDMN COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(F)c(C#N)c1Cl ZINC000277102514 646377130 /nfs/dbraw/zinc/37/71/30/646377130.db2.gz WZFJJBWNKRTBQZ-AWEZNQCLSA-N 0 1 383.832 2.333 20 30 GEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@H]2C1 ZINC000278602596 646529875 /nfs/dbraw/zinc/52/98/75/646529875.db2.gz BEDPBQYARYFOLZ-NHYWBVRUSA-N 0 1 384.299 2.035 20 30 GEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000278602606 646529891 /nfs/dbraw/zinc/52/98/91/646529891.db2.gz BEDPBQYARYFOLZ-XHDPSFHLSA-N 0 1 384.299 2.035 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1Br ZINC000279039946 646573439 /nfs/dbraw/zinc/57/34/39/646573439.db2.gz JGSQVFZWNHSTQC-UHFFFAOYSA-N 0 1 384.299 2.226 20 30 GEEDMN C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000330382255 647333692 /nfs/dbraw/zinc/33/36/92/647333692.db2.gz WZJMWXYNXQWWEW-JKSUJKDBSA-N 0 1 384.571 2.447 20 30 GEEDMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331208856 647370742 /nfs/dbraw/zinc/37/07/42/647370742.db2.gz GGMJJLGPBZMPKN-ZDUSSCGKSA-N 0 1 386.315 2.426 20 30 GEEDMN C[C@H]1CCc2c(sc(NC(=O)CCN3CCSC[C@H]3CO)c2C#N)C1 ZINC000334028334 647488162 /nfs/dbraw/zinc/48/81/62/647488162.db2.gz JEHMXIXJKWAMRA-QWHCGFSZSA-N 0 1 379.551 2.483 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)cc1Br ZINC000366153622 647695689 /nfs/dbraw/zinc/69/56/89/647695689.db2.gz BYFHXHOLIQUQEA-UHFFFAOYSA-N 0 1 396.270 2.007 20 30 GEEDMN N#CCSCCCN1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000378543442 647883501 /nfs/dbraw/zinc/88/35/01/647883501.db2.gz WPQCTNXESAMRRT-QGZVFWFLSA-N 0 1 379.551 2.490 20 30 GEEDMN Cc1cc(S(=O)(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)ccc1C#N ZINC000435719400 648785974 /nfs/dbraw/zinc/78/59/74/648785974.db2.gz MBRRZYVGUIHMNX-UHFFFAOYSA-N 0 1 386.401 2.349 20 30 GEEDMN CCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443479629 648878840 /nfs/dbraw/zinc/87/88/40/648878840.db2.gz ZYZPMKDUNUKXMJ-CQSZACIVSA-N 0 1 386.315 2.473 20 30 GEEDMN CN(CCC#N)C(=O)CCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000552778971 651158102 /nfs/dbraw/zinc/15/81/02/651158102.db2.gz AKMUJOBEFRANEW-UHFFFAOYSA-N 0 1 393.329 2.329 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2ccc(I)c(F)c2)CC1 ZINC000609201238 651613374 /nfs/dbraw/zinc/61/33/74/651613374.db2.gz URXTXLLGQXWOSR-UHFFFAOYSA-N 0 1 387.196 2.148 20 30 GEEDMN CC(C)(N)c1noc(COc2cc(C#N)ccc2I)n1 ZINC000568084824 651650333 /nfs/dbraw/zinc/65/03/33/651650333.db2.gz VNCXHXPHHZGDKO-UHFFFAOYSA-N 0 1 384.177 2.319 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1Cl ZINC000734243298 651740198 /nfs/dbraw/zinc/74/01/98/651740198.db2.gz DOXQECYAHFYVNX-HNNXBMFYSA-N 0 1 383.901 2.133 20 30 GEEDMN Cc1csc(C(C#N)C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000613286833 651780818 /nfs/dbraw/zinc/78/08/18/651780818.db2.gz ZEGUILWAURUCCA-LBPRGKRZSA-N 0 1 397.503 2.024 20 30 GEEDMN N#CC1(CNC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1 ZINC000570796722 651791890 /nfs/dbraw/zinc/79/18/90/651791890.db2.gz ZQSVRFDQUGTDHR-UHFFFAOYSA-N 0 1 375.230 2.337 20 30 GEEDMN N#CC1(CNC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000570796722 651791893 /nfs/dbraw/zinc/79/18/93/651791893.db2.gz ZQSVRFDQUGTDHR-UHFFFAOYSA-N 0 1 375.230 2.337 20 30 GEEDMN CC(=O)NCc1ccc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)s1 ZINC000743144987 652012943 /nfs/dbraw/zinc/01/29/43/652012943.db2.gz SWPSAJGMHYNTJY-LBPRGKRZSA-N 0 1 377.447 2.182 20 30 GEEDMN CC(=O)NCc1ccc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)s1 ZINC000743144987 652012948 /nfs/dbraw/zinc/01/29/48/652012948.db2.gz SWPSAJGMHYNTJY-LBPRGKRZSA-N 0 1 377.447 2.182 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCNCCc2nc(C(F)(F)F)cs2)nc1 ZINC000574869325 652048594 /nfs/dbraw/zinc/04/85/94/652048594.db2.gz SGHSNQPHBLICAU-UHFFFAOYSA-N 0 1 390.412 2.035 20 30 GEEDMN C[S@](=O)Cc1ccc(CNCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000576392606 652113112 /nfs/dbraw/zinc/11/31/12/652113112.db2.gz AZAWFQJLPBMFHT-DEOSSOPVSA-N 0 1 376.503 2.000 20 30 GEEDMN COC(=O)c1cncc(S(=O)(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000577969641 652232730 /nfs/dbraw/zinc/23/27/30/652232730.db2.gz BNPHAZXLDKOFAN-UHFFFAOYSA-N 0 1 396.222 2.303 20 30 GEEDMN C=CCSc1nc2ccccc2n1CN1CCC[C@@H]1CS(=O)(=O)NC ZINC000749970852 652277198 /nfs/dbraw/zinc/27/71/98/652277198.db2.gz DPFVKWPJZJQWKS-CQSZACIVSA-N 0 1 380.539 2.286 20 30 GEEDMN C=CCSc1nc2ccccc2n1CN1CCC[C@H]1CS(=O)(=O)NC ZINC000749970851 652277292 /nfs/dbraw/zinc/27/72/92/652277292.db2.gz DPFVKWPJZJQWKS-AWEZNQCLSA-N 0 1 380.539 2.286 20 30 GEEDMN Cn1nc(Br)c2c1ncnc2N=NCc1cc(O)ccc1[N+](=O)[O-] ZINC000751132708 652325501 /nfs/dbraw/zinc/32/55/01/652325501.db2.gz IAXXKEWYUBVKLU-UHFFFAOYSA-N 0 1 392.173 2.186 20 30 GEEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 ZINC000625700887 652368001 /nfs/dbraw/zinc/36/80/01/652368001.db2.gz MZMRAUGBUAEOFI-ZDUSSCGKSA-N 0 1 385.917 2.427 20 30 GEEDMN CC1=CCN(CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000582315317 652445149 /nfs/dbraw/zinc/44/51/49/652445149.db2.gz LOBOGDFXQKQRTM-UHFFFAOYSA-N 0 1 391.269 2.027 20 30 GEEDMN C=CC[C@H](CO)CNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000584070412 652508237 /nfs/dbraw/zinc/50/82/37/652508237.db2.gz GETKCLLCHCWDSK-NSHDSACASA-N 0 1 394.273 2.218 20 30 GEEDMN C=CC[C@H](CO)CNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000584070412 652508241 /nfs/dbraw/zinc/50/82/41/652508241.db2.gz GETKCLLCHCWDSK-NSHDSACASA-N 0 1 394.273 2.218 20 30 GEEDMN Cc1nc(CN2CCN(c3cc(Br)c(C#N)cc3F)CC2)n[nH]1 ZINC000584790504 652529754 /nfs/dbraw/zinc/52/97/54/652529754.db2.gz PLOVLZKQZICVHB-UHFFFAOYSA-N 0 1 379.237 2.209 20 30 GEEDMN Cn1nc2cc(Br)ccc2c1C(=O)NC1(C#N)CCN(C)CC1 ZINC000592611059 652601114 /nfs/dbraw/zinc/60/11/14/652601114.db2.gz ABXILGGSJQPUMQ-UHFFFAOYSA-N 0 1 376.258 2.054 20 30 GEEDMN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CSc1n[nH]c(=S)s1 ZINC000764447717 652800713 /nfs/dbraw/zinc/80/07/13/652800713.db2.gz CIQSMIQJDLAYKK-UHFFFAOYSA-N 0 1 389.491 2.318 20 30 GEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000766622373 652888996 /nfs/dbraw/zinc/88/89/96/652888996.db2.gz HBDKPLJENNPERV-ZDUSSCGKSA-N 0 1 378.431 2.121 20 30 GEEDMN COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(S(C)(=O)=O)c2)cc1 ZINC000766622373 652889000 /nfs/dbraw/zinc/88/90/00/652889000.db2.gz HBDKPLJENNPERV-ZDUSSCGKSA-N 0 1 378.431 2.121 20 30 GEEDMN O=S(=O)(NC1CC1)c1ccc(NN=Cc2cncc(Br)c2)nc1 ZINC000767356202 652921299 /nfs/dbraw/zinc/92/12/99/652921299.db2.gz OSAWCYMNJDOOOH-UHFFFAOYSA-N 0 1 396.270 2.126 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1N1CCCC1 ZINC000601396685 653090944 /nfs/dbraw/zinc/09/09/44/653090944.db2.gz GONYDWDIROCBSP-JKSUJKDBSA-N 0 1 383.514 2.206 20 30 GEEDMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000601428979 653094321 /nfs/dbraw/zinc/09/43/21/653094321.db2.gz QDBXXSGFZORENQ-UHFFFAOYSA-N 0 1 386.315 2.426 20 30 GEEDMN C#C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000773057221 653177668 /nfs/dbraw/zinc/17/76/68/653177668.db2.gz PLKRDAMZWLNDFS-JQWIXIFHSA-N 0 1 379.221 2.361 20 30 GEEDMN CC(=NNCC(C)(C)S(C)(=O)=O)c1cc(Br)cc(F)c1O ZINC000774482775 653239304 /nfs/dbraw/zinc/23/93/04/653239304.db2.gz LVXYXFZBLBQDMM-UHFFFAOYSA-N 0 1 381.267 2.431 20 30 GEEDMN C#C[C@@H](NC(=O)N[C@@H](C)CN1CCN(C)CC1)c1ccc(Br)cc1 ZINC000836349313 653346119 /nfs/dbraw/zinc/34/61/19/653346119.db2.gz LDOYJHCXUPCGFE-WMLDXEAASA-N 0 1 393.329 2.059 20 30 GEEDMN Cc1cc(C(=O)N[C@H]2CNC[C@@H]2C#N)c(I)cc1Cl ZINC000876801379 653448368 /nfs/dbraw/zinc/44/83/68/653448368.db2.gz BSBUPMRQELXQPZ-UFBFGSQYSA-N 0 1 389.624 2.094 20 30 GEEDMN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000815082357 653650601 /nfs/dbraw/zinc/65/06/01/653650601.db2.gz MOHGYYNEGFLIFH-UHFFFAOYSA-N 0 1 397.697 2.475 20 30 GEEDMN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000815082357 653650604 /nfs/dbraw/zinc/65/06/04/653650604.db2.gz MOHGYYNEGFLIFH-UHFFFAOYSA-N 0 1 397.697 2.475 20 30 GEEDMN C#CCN1CCN(C(=O)CN[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000815147668 653653392 /nfs/dbraw/zinc/65/33/92/653653392.db2.gz VFSLVDGORUDNKW-ZDUSSCGKSA-N 0 1 382.277 2.016 20 30 GEEDMN N#Cc1ccc(CNC(=O)c2cccc(I)c2O)nc1 ZINC000782020154 653653882 /nfs/dbraw/zinc/65/38/82/653653882.db2.gz PNCOMQYXDODWHE-UHFFFAOYSA-N 0 1 379.157 2.193 20 30 GEEDMN N#CC(C(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000815908945 653668521 /nfs/dbraw/zinc/66/85/21/653668521.db2.gz NMZGFTFXQYAHFE-JQWIXIFHSA-N 0 1 386.832 2.341 20 30 GEEDMN O=C1C[C@@H](C/N=C/c2cc(Br)cc(Br)c2O)CN1 ZINC000840712507 653691704 /nfs/dbraw/zinc/69/17/04/653691704.db2.gz ZAGJXXZTLUTJBC-CKLBDGOISA-N 0 1 376.048 2.472 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000787618887 653741070 /nfs/dbraw/zinc/74/10/70/653741070.db2.gz ZQNFGOIUBVADAC-ZDUSSCGKSA-N 0 1 388.331 2.272 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000789404486 653774249 /nfs/dbraw/zinc/77/42/49/653774249.db2.gz VZDHLKJHGYJVGE-ZDUSSCGKSA-N 0 1 382.258 2.035 20 30 GEEDMN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)c2nc(Cl)cs2)cc1 ZINC000789405881 653774308 /nfs/dbraw/zinc/77/43/08/653774308.db2.gz OGMHDQMQTLNZSF-LLVKDONJSA-N 0 1 376.825 2.459 20 30 GEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(C)c1Br ZINC000791772136 653823638 /nfs/dbraw/zinc/82/36/38/653823638.db2.gz WWKZSRDGCQABPL-VIFPVBQESA-N 0 1 377.198 2.152 20 30 GEEDMN C=C[C@H](CO)NCc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000883181820 653831778 /nfs/dbraw/zinc/83/17/78/653831778.db2.gz LPGFNGLCPQHKSO-CYBMUJFWSA-N 0 1 394.356 2.222 20 30 GEEDMN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CNC[C@H]1C#N ZINC000846676034 653906260 /nfs/dbraw/zinc/90/62/60/653906260.db2.gz BIBLWSMDSIGNEO-OCCSQVGLSA-N 0 1 375.885 2.154 20 30 GEEDMN C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(Br)o1)C(=O)OCC ZINC000867592327 653958092 /nfs/dbraw/zinc/95/80/92/653958092.db2.gz YQGIFMNJFGQMBJ-QMMMGPOBSA-N 0 1 386.651 2.395 20 30 GEEDMN COCCCNC(=O)C(C#N)C(=O)Cc1sc(SC(F)F)nc1C ZINC000796631287 654002811 /nfs/dbraw/zinc/00/28/11/654002811.db2.gz OENXUKGPQSSODH-VIFPVBQESA-N 0 1 377.438 2.170 20 30 GEEDMN Cc1nc(Br)c(C=NNc2ccc(S(=O)(=O)NC3CC3)cc2)[nH]1 ZINC000901182698 654113596 /nfs/dbraw/zinc/11/35/96/654113596.db2.gz WYHJDERRCWIGJK-UHFFFAOYSA-N 0 1 398.286 2.367 20 30 GEEDMN CN(C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000917745789 654133177 /nfs/dbraw/zinc/13/31/77/654133177.db2.gz IIGXINZCEQQYAK-OAHLLOKOSA-N 0 1 383.539 2.025 20 30 GEEDMN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](CC#N)C(F)(F)F)c1 ZINC000901773199 654148591 /nfs/dbraw/zinc/14/85/91/654148591.db2.gz TUOGWDBATWCLSS-NSHDSACASA-N 0 1 383.779 2.165 20 30 GEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000852101241 654218158 /nfs/dbraw/zinc/21/81/58/654218158.db2.gz OWFRWVXDRUZWGT-YVEFUNNKSA-N 0 1 385.917 2.309 20 30 GEEDMN N#Cc1cc(S(=O)(=O)N2CCC(N3CCC3)CC2)ccc1Br ZINC000903648985 654272771 /nfs/dbraw/zinc/27/27/71/654272771.db2.gz JBZYSCGYWFXAEW-UHFFFAOYSA-N 0 1 384.299 2.180 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000834490281 654329799 /nfs/dbraw/zinc/32/97/99/654329799.db2.gz UBTKKWCWPBXYLD-SKDRFNHKSA-N 0 1 378.219 2.417 20 30 GEEDMN CO[C@@]1(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)CCS(=O)(=O)C1 ZINC000892538143 654350277 /nfs/dbraw/zinc/35/02/77/654350277.db2.gz ISXKWPGYOPNTOR-BMIGLBTASA-N 0 1 384.866 2.330 20 30 GEEDMN O=S(=O)(c1ccc(N=NCc2ccnc(Cl)c2F)nc1)N1CCCC1 ZINC000834939559 654355991 /nfs/dbraw/zinc/35/59/91/654355991.db2.gz IEOAZOWOQNGCTE-UHFFFAOYSA-N 0 1 383.836 2.500 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000922024675 654356397 /nfs/dbraw/zinc/35/63/97/654356397.db2.gz HRAIJEMVCFCMOO-UHFFFAOYSA-N 0 1 384.914 2.063 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000922026102 654356807 /nfs/dbraw/zinc/35/68/07/654356807.db2.gz LPGVUFGRYYPSFQ-UHFFFAOYSA-N 0 1 376.400 2.303 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cscc1Br ZINC000922026660 654356853 /nfs/dbraw/zinc/35/68/53/654356853.db2.gz WASJLHIKXJCOJA-UHFFFAOYSA-N 0 1 377.329 2.229 20 30 GEEDMN Cc1cc(Br)c(N2CCC(O)(CN3CCOCC3)CC2)c(C#N)c1 ZINC000893106874 654382589 /nfs/dbraw/zinc/38/25/89/654382589.db2.gz VQDJRMVDAGKRJF-UHFFFAOYSA-N 0 1 394.313 2.293 20 30 GEEDMN N#Cc1sccc1N1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000855336310 654413742 /nfs/dbraw/zinc/41/37/42/654413742.db2.gz ONVCWMLCNRBXJN-UHFFFAOYSA-N 0 1 383.549 2.201 20 30 GEEDMN CCn1ncc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)c1Br ZINC000873491833 654431480 /nfs/dbraw/zinc/43/14/80/654431480.db2.gz QNIAKQNLOSKIPV-VIFPVBQESA-N 0 1 397.254 2.464 20 30 GEEDMN CCn1ncc(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)c1Br ZINC000873491833 654431483 /nfs/dbraw/zinc/43/14/83/654431483.db2.gz QNIAKQNLOSKIPV-VIFPVBQESA-N 0 1 397.254 2.464 20 30 GEEDMN N#Cc1cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)ccc1Br ZINC000906904195 654485353 /nfs/dbraw/zinc/48/53/53/654485353.db2.gz KKJOOVNFTYVNHK-CYBMUJFWSA-N 0 1 384.299 2.180 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2C[C@H](O)CN2C)s1 ZINC000924978558 654530133 /nfs/dbraw/zinc/53/01/33/654530133.db2.gz WZFUVZCHJWZURB-RYUDHWBXSA-N 0 1 375.947 2.020 20 30 GEEDMN CN1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907328956 654532648 /nfs/dbraw/zinc/53/26/48/654532648.db2.gz JXCXCQATTBKULF-CABCVRRESA-N 0 1 384.299 2.178 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000928658628 654654626 /nfs/dbraw/zinc/65/46/26/654654626.db2.gz WFJNURPQGHHEKE-UHFFFAOYSA-N 0 1 387.281 2.462 20 30 GEEDMN C[C@@](O)(C[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(F)(F)C(F)(F)F ZINC000930519624 654712097 /nfs/dbraw/zinc/71/20/97/654712097.db2.gz KONWOMQIIJTCLO-PSASIEDQSA-N 0 1 386.283 2.326 20 30 GEEDMN C#CCN1CCC(NC(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000931086086 654728672 /nfs/dbraw/zinc/72/86/72/654728672.db2.gz FGMNMGUEWCBJAQ-UHFFFAOYSA-N 0 1 394.269 2.455 20 30 GEEDMN COC(=O)[C@](C)(O)CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942412 654795044 /nfs/dbraw/zinc/79/50/44/654795044.db2.gz HDMNSXLZDHIBHD-ZXFLCMHBSA-N 0 1 385.251 2.013 20 30 GEEDMN CN(C)CC#CCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000913516949 654797076 /nfs/dbraw/zinc/79/70/76/654797076.db2.gz MKVWRJIDFGOKHX-MRXNPFEDSA-N 0 1 382.291 2.279 20 30 GEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@](C)(CO)c1cccc(Br)c1 ZINC000934497004 654851214 /nfs/dbraw/zinc/85/12/14/654851214.db2.gz GSNYIJGCNCHQRC-CXAGYDPISA-N 0 1 382.302 2.254 20 30 GEEDMN C=CCN1C(=O)CC[C@@]12CCCN(c1ccc(N3CCN(C)CC3)nn1)[C@H]2CC ZINC001164699226 719820932 /nfs/dbraw/zinc/82/09/32/719820932.db2.gz GXZSZYKNUOHNPI-PGRDOPGGSA-N 0 1 398.555 2.154 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)CCC5)C3)O2)CC1 ZINC001164890745 721434646 /nfs/dbraw/zinc/43/46/46/721434646.db2.gz DXOABBJFUNCWJL-NZQKXSOJSA-N 0 1 395.551 2.207 20 30 GEEDMN N#Cc1nc(Cl)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C#N ZINC001164903840 721534129 /nfs/dbraw/zinc/53/41/29/721534129.db2.gz DGWYYRBOWSPNJI-DZGCQCFKSA-N 0 1 398.829 2.354 20 30 GEEDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(C#N)c(OC)n2)CC1 ZINC001165021418 721839612 /nfs/dbraw/zinc/83/96/12/721839612.db2.gz MUAOWPSTNYMLLC-UHFFFAOYSA-N 0 1 397.479 2.475 20 30 GEEDMN N#Cc1cc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)nc2ccc([N+](=O)[O-])cc12 ZINC001164968078 722077564 /nfs/dbraw/zinc/07/75/64/722077564.db2.gz PFWSSXOBKNAARA-CALCHBBNSA-N 0 1 379.420 2.314 20 30 GEEDMN N#Cc1cc(Cl)nnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984356 722106923 /nfs/dbraw/zinc/10/69/23/722106923.db2.gz SSBLVPGNVXVCKC-NVXWUHKLSA-N 0 1 384.871 2.124 20 30 GEEDMN Cc1nc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164982587 722119740 /nfs/dbraw/zinc/11/97/40/722119740.db2.gz XHVIMLOTNGGMFG-FUHWJXTLSA-N 0 1 398.898 2.432 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCOc1ccc(Br)cc1 ZINC000024375305 531602424 /nfs/dbraw/zinc/60/24/24/531602424.db2.gz JYQPMHZQBZERHH-GFCCVEGCSA-N 0 1 384.274 2.160 20 30 GEEDMN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000121648093 532040310 /nfs/dbraw/zinc/04/03/10/532040310.db2.gz XXSDCEWXPOKPLF-UHFFFAOYSA-N 0 1 375.288 2.026 20 30 GEEDMN CC1(C)Oc2ccsc2[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)[C@@H]1O ZINC000562784678 532484192 /nfs/dbraw/zinc/48/41/92/532484192.db2.gz NINVTKPPAPGDFI-HIFRSBDPSA-N 0 1 382.438 2.310 20 30 GEEDMN Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000296191302 532503761 /nfs/dbraw/zinc/50/37/61/532503761.db2.gz VRTRINOYIJBZQX-UHFFFAOYSA-N 0 1 383.271 2.263 20 30 GEEDMN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000374399382 532500657 /nfs/dbraw/zinc/50/06/57/532500657.db2.gz BHRZJRWLPJADQM-HOTGVXAUSA-N 0 1 384.571 2.276 20 30 GEEDMN C=CCn1c(SCC(=O)Nc2cc(C)c(C(=O)OCC)s2)n[nH]c1=O ZINC000470843880 532536332 /nfs/dbraw/zinc/53/63/32/532536332.db2.gz HXRZGKKJZJDZRY-UHFFFAOYSA-N 0 1 382.467 2.447 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000521908040 532520970 /nfs/dbraw/zinc/52/09/70/532520970.db2.gz MIXDDVYDEJVITM-UHFFFAOYSA-N 0 1 388.269 2.353 20 30 GEEDMN CC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(C#N)cc3F)cc2C1 ZINC000594705042 532521890 /nfs/dbraw/zinc/52/18/90/532521890.db2.gz KEUBYXFDTNADQW-UHFFFAOYSA-N 0 1 379.438 2.464 20 30 GEEDMN C=CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)[N-]CC(F)(F)F ZINC000375995537 532590001 /nfs/dbraw/zinc/59/00/01/532590001.db2.gz RTMGMUTZDCBGQM-OAHLLOKOSA-N 0 1 377.432 2.146 20 30 GEEDMN C[C@H](C#N)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436539361 532636999 /nfs/dbraw/zinc/63/69/99/532636999.db2.gz OKIHKYFEKARRFD-SNVBAGLBSA-N 0 1 379.825 2.488 20 30 GEEDMN N#CC1(C(=O)Nc2nc3ccc(I)cc3[nH]2)CCOCC1 ZINC000598424265 532648646 /nfs/dbraw/zinc/64/86/46/532648646.db2.gz PPBRHOFTUJRLNC-UHFFFAOYSA-N 0 1 396.188 2.426 20 30 GEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000286727358 532765284 /nfs/dbraw/zinc/76/52/84/532765284.db2.gz XPBYXICKZGYKMH-CXAGYDPISA-N 0 1 382.302 2.254 20 30 GEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000462069974 532800366 /nfs/dbraw/zinc/80/03/66/532800366.db2.gz JEUDGFSNBGOVTQ-GFCCVEGCSA-N 0 1 393.918 2.414 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1N(C)C ZINC000330374272 532817535 /nfs/dbraw/zinc/81/75/35/532817535.db2.gz MNVUJJKNMAEEFL-ZIAGYGMSSA-N 0 1 393.456 2.243 20 30 GEEDMN C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000331428352 532839452 /nfs/dbraw/zinc/83/94/52/532839452.db2.gz BUELBIQAGSMXBT-BMIGLBTASA-N 0 1 384.299 2.082 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCNC(C)(C)C1 ZINC000415823397 532858915 /nfs/dbraw/zinc/85/89/15/532858915.db2.gz PTNNTFOPKNQRRT-UHFFFAOYSA-N 0 1 396.285 2.163 20 30 GEEDMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CN1C1CC1 ZINC000294051994 532935282 /nfs/dbraw/zinc/93/52/82/532935282.db2.gz JNSHDOYVTFTKDK-GWCFXTLKSA-N 0 1 391.269 2.001 20 30 GEEDMN C[C@@H](CC#N)OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735964407 598857959 /nfs/dbraw/zinc/85/79/59/598857959.db2.gz ZLVGEBNFFUUYOG-NSHDSACASA-N 0 1 397.395 2.176 20 30 GEEDMN N#Cc1ccc(Oc2ccc(C(=O)OC[C@@H]3CCC[N@@H+]3CC(=O)[O-])cc2)nc1 ZINC000821335920 598065063 /nfs/dbraw/zinc/06/50/63/598065063.db2.gz BMBDIERRSVMJQH-INIZCTEOSA-N 0 1 381.388 2.451 20 30 GEEDMN N#Cc1ccc(OC2CC[NH+](CC(=O)NC3(C(=O)[O-])CCCCC3)CC2)cc1 ZINC000739129245 600104042 /nfs/dbraw/zinc/10/40/42/600104042.db2.gz SBGLCJVGHQTLRV-UHFFFAOYSA-N 0 1 385.464 2.305 20 30 GEEDMN N#Cc1ccc(OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000739129310 600145047 /nfs/dbraw/zinc/14/50/47/600145047.db2.gz UEIPTIOMQLOKTD-INIZCTEOSA-N 0 1 390.823 2.244 20 30 GEEDMN COc1cccc(CC(=O)N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738096057 600566578 /nfs/dbraw/zinc/56/65/78/600566578.db2.gz MCCVXXCJHWIKOM-OAQYLSRUSA-N 0 1 393.443 2.079 20 30 GEEDMN COc1cccc(C(=O)N2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738084014 600566660 /nfs/dbraw/zinc/56/66/60/600566660.db2.gz RYHBCMUYCBQLJP-IBGZPJMESA-N 0 1 379.416 2.151 20 30 GEEDMN CN(C(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000737322520 600568455 /nfs/dbraw/zinc/56/84/55/600568455.db2.gz OAXQEKVBUIFLIO-OAQYLSRUSA-N 0 1 398.507 2.093 20 30 GEEDMN C[NH+]1CCN(C(=O)Cc2ccc(N[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)CC1 ZINC000737515945 600595504 /nfs/dbraw/zinc/59/55/04/600595504.db2.gz RBJNIEXSWLISMZ-OAQYLSRUSA-N 0 1 392.459 2.113 20 30 GEEDMN CC(C)c1nc(CN(C)[C@H]2CC[N@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000827152145 601027671 /nfs/dbraw/zinc/02/76/71/601027671.db2.gz AXARBZWNXNXIIS-FUHWJXTLSA-N 0 1 383.452 2.397 20 30 GEEDMN C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[C@@H]1NC(=O)[O-] ZINC000739179025 602775411 /nfs/dbraw/zinc/77/54/11/602775411.db2.gz KZWMKVHTQXAHRA-SNPRPXQTSA-N 0 1 379.420 2.202 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739975682 602793906 /nfs/dbraw/zinc/79/39/06/602793906.db2.gz IWDYBQQHIKRJCP-PMPSAXMXSA-N 0 1 388.468 2.308 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739975682 602793908 /nfs/dbraw/zinc/79/39/08/602793908.db2.gz IWDYBQQHIKRJCP-PMPSAXMXSA-N 0 1 388.468 2.308 20 30 GEEDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000827015380 604512852 /nfs/dbraw/zinc/51/28/52/604512852.db2.gz CFSCBABVOWVJLK-WMLDXEAASA-N 0 1 382.420 2.034 20 30 GEEDMN CCOc1ccnc(N2CCC[N@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC000830117057 604682376 /nfs/dbraw/zinc/68/23/76/604682376.db2.gz OHQWIDSOULTRGN-SFHVURJKSA-N 0 1 381.436 2.085 20 30 GEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000833419637 604863023 /nfs/dbraw/zinc/86/30/23/604863023.db2.gz IMCHJCKUNHEXNQ-KRWDZBQOSA-N 0 1 398.463 2.103 20 30 GEEDMN N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@@H]4CCC[C@@H](NC(=O)[O-])[C@@H]4C3)C2=O)cc1 ZINC000833974599 605450423 /nfs/dbraw/zinc/45/04/23/605450423.db2.gz UMVVNIQASBHUAA-AITUJVMLSA-N 0 1 382.464 2.422 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)s1 ZINC000833971795 605685937 /nfs/dbraw/zinc/68/59/37/605685937.db2.gz NUHHTVZWRLYNMZ-CJNGLKHVSA-N 0 1 376.482 2.090 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833963259 605780524 /nfs/dbraw/zinc/78/05/24/605780524.db2.gz KLGWMSFCLKQSHZ-CVEARBPZSA-N 0 1 391.431 2.440 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1N1CCCC1 ZINC000445709802 649963886 /nfs/dbraw/zinc/96/38/86/649963886.db2.gz OZOKXJQPZTWSFF-LSDHHAIUSA-N 0 1 385.942 2.412 20 30 GEEDMN C[C@H](N[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(C#N)cc1 ZINC000820420947 606299572 /nfs/dbraw/zinc/29/95/72/606299572.db2.gz YMFLUUHIIZPFIL-NHYWBVRUSA-N 0 1 379.449 2.256 20 30 GEEDMN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419828 606299631 /nfs/dbraw/zinc/29/96/31/606299631.db2.gz KKCTXYSDFCTCBS-XHDPSFHLSA-N 0 1 379.449 2.256 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2ccc(-n3cncn3)cc2Cl)o1 ZINC000819782617 606988217 /nfs/dbraw/zinc/98/82/17/606988217.db2.gz PELWLRNIBCLVIP-UHFFFAOYSA-N 0 1 384.791 2.233 20 30 GEEDMN CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000821308617 607032713 /nfs/dbraw/zinc/03/27/13/607032713.db2.gz DOJSQRKXSAZJSI-UHFFFAOYSA-N 0 1 383.437 2.279 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)c(F)c1 ZINC000822823469 607122800 /nfs/dbraw/zinc/12/28/00/607122800.db2.gz RKQCMNVMRIVQDC-UHFFFAOYSA-N 0 1 396.766 2.471 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2nc3ccccn3c2Br)o1 ZINC000826323326 607887128 /nfs/dbraw/zinc/88/71/28/607887128.db2.gz ZUNAIHSLIJMODE-UHFFFAOYSA-N 0 1 388.189 2.019 20 30 GEEDMN Cc1cc(C)n2c(CN=Nc3oc(C(C)(C)C)nc3-c3nn[nH]n3)cnc2n1 ZINC000826265526 607887866 /nfs/dbraw/zinc/88/78/66/607887866.db2.gz CRCYFHMQVWOSCB-UHFFFAOYSA-N 0 1 380.416 2.258 20 30 GEEDMN CSc1[nH]c(=O)c(C(=O)N(CCC#N)CC(C)(C)C)cc1-c1nn[nH]n1 ZINC000826229663 608202566 /nfs/dbraw/zinc/20/25/66/608202566.db2.gz MPYYXTWCUYEYBR-UHFFFAOYSA-N 0 1 375.458 2.091 20 30 GEEDMN COC(=O)[C@H](C)n1cccc1CN=Nc1oc(CC(C)C)nc1-c1nn[nH]n1 ZINC000826104339 608388601 /nfs/dbraw/zinc/38/86/01/608388601.db2.gz UTMJMGCXJXHWGG-NSHDSACASA-N 0 1 386.416 2.035 20 30 GEEDMN Cc1oc(NC(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)c(C#N)c1C ZINC000826342670 608530897 /nfs/dbraw/zinc/53/08/97/608530897.db2.gz VMPCJNUDQOGMRE-UHFFFAOYSA-N 0 1 377.408 2.166 20 30 GEEDMN N#Cc1csc(CN[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826387639 609600049 /nfs/dbraw/zinc/60/00/49/609600049.db2.gz HVBPHBWAXJURPX-INIZCTEOSA-N 0 1 379.449 2.085 20 30 GEEDMN CC(C)[C@H](CNC(=O)c1cccc(C#N)c1Br)N1CCN(C)CC1 ZINC000448968987 650027300 /nfs/dbraw/zinc/02/73/00/650027300.db2.gz HVRYKMSSSOLQGW-INIZCTEOSA-N 0 1 393.329 2.323 20 30 GEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449915256 650055569 /nfs/dbraw/zinc/05/55/69/650055569.db2.gz XNJSZGZBJGMAJZ-INIZCTEOSA-N 0 1 380.286 2.498 20 30 GEEDMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC2(O)CCOCC2)CC1 ZINC000501043683 650386695 /nfs/dbraw/zinc/38/66/95/650386695.db2.gz DJAMVKBXTNVQTF-KRWDZBQOSA-N 0 1 394.313 2.173 20 30 GEEDMN CCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1S(N)(=O)=O ZINC000502797370 650412333 /nfs/dbraw/zinc/41/23/33/650412333.db2.gz CYRMQHQSOOPTEO-UHFFFAOYSA-N 0 1 399.881 2.222 20 30 GEEDMN CCc1ncc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)s1 ZINC000460938610 650448495 /nfs/dbraw/zinc/44/84/95/650448495.db2.gz LGXLYCKOGOHPTF-UHFFFAOYSA-N 0 1 378.523 2.330 20 30 GEEDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C#N)c(Br)c2)c[nH]1 ZINC000508116396 650474866 /nfs/dbraw/zinc/47/48/66/650474866.db2.gz KREAGNZLKGCAMG-UHFFFAOYSA-N 0 1 384.211 2.236 20 30 GEEDMN CN1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)CC#N)CC1 ZINC000476019414 650543397 /nfs/dbraw/zinc/54/33/97/650543397.db2.gz MHSRPZGSHJMPIX-UHFFFAOYSA-N 0 1 397.292 2.078 20 30 GEEDMN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000515633794 650593228 /nfs/dbraw/zinc/59/32/28/650593228.db2.gz YKQZHUVRKXCCKF-UHFFFAOYSA-N 0 1 379.825 2.381 20 30 GEEDMN C[C@]1(Br)C[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000528919605 650699125 /nfs/dbraw/zinc/69/91/25/650699125.db2.gz PVQYRFDLQZWDBJ-USBNGQNGSA-N 0 1 379.210 2.279 20 30 GEEDMN N#Cc1ccc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cn1 ZINC000115357505 643436878 /nfs/dbraw/zinc/43/68/78/643436878.db2.gz DGVPBSDBEGDTPL-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN N#Cc1ccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cn1 ZINC000115357505 643436881 /nfs/dbraw/zinc/43/68/81/643436881.db2.gz DGVPBSDBEGDTPL-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN C[C@@H]1CCCCN1CC(N)=NOCc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000177592990 644419726 /nfs/dbraw/zinc/41/97/26/644419726.db2.gz CEYUIMIMXCOUAN-GFCCVEGCSA-N 0 1 375.441 2.346 20 30 GEEDMN CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2SCCC#N)cn1C ZINC000264581212 645693499 /nfs/dbraw/zinc/69/34/99/645693499.db2.gz XJFWDJPJQQQYRK-UHFFFAOYSA-N 0 1 378.479 2.191 20 30 GEEDMN N#CCN1CCC[C@@H](CNC(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000267114183 645883923 /nfs/dbraw/zinc/88/39/23/645883923.db2.gz CGJITOMJIHAMSX-NSHDSACASA-N 0 1 376.258 2.291 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000330571725 647345960 /nfs/dbraw/zinc/34/59/60/647345960.db2.gz FSPVOLINWMWYCU-KBPBESRZSA-N 0 1 393.456 2.243 20 30 GEEDMN C[C@@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(Br)cn1 ZINC000331055197 647365015 /nfs/dbraw/zinc/36/50/15/647365015.db2.gz KJJHLIZSLCVWEC-GFCCVEGCSA-N 0 1 385.306 2.208 20 30 GEEDMN C[C@H]1CCc2c(sc(NC(=O)CCN3CCSC[C@@H]3CO)c2C#N)C1 ZINC000334028335 647487957 /nfs/dbraw/zinc/48/79/57/647487957.db2.gz JEHMXIXJKWAMRA-STQMWFEESA-N 0 1 379.551 2.483 20 30 GEEDMN CC(C)(C)c1nc(CNS(=O)(=O)c2cc(Br)ccc2C#N)n[nH]1 ZINC000416542459 648166686 /nfs/dbraw/zinc/16/66/86/648166686.db2.gz LUPSUBZTPSBHHK-UHFFFAOYSA-N 0 1 398.286 2.215 20 30 GEEDMN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000421248967 648478243 /nfs/dbraw/zinc/47/82/43/648478243.db2.gz LPICXYRLINFAFH-HIFRSBDPSA-N 0 1 388.511 2.175 20 30 GEEDMN C=CCOc1c(Br)cc(CNc2n[nH]c(N(C)C)n2)cc1OC ZINC000424174466 648616072 /nfs/dbraw/zinc/61/60/72/648616072.db2.gz MGSJEFPFEJBFTP-UHFFFAOYSA-N 0 1 382.262 2.819 20 30 GEEDMN Cc1c(NC(=O)C(=O)N[C@@H]2CCCN(C)[C@H]2C)ccc(Br)c1C#N ZINC000425740700 648692806 /nfs/dbraw/zinc/69/28/06/648692806.db2.gz ISIXNQMEYDXNKB-XHDPSFHLSA-N 0 1 393.285 2.167 20 30 GEEDMN CN(CCCc1[nH]nc(N)c1C#N)Cc1nc2cc(Br)ccc2[nH]1 ZINC000548488906 651078866 /nfs/dbraw/zinc/07/88/66/651078866.db2.gz PZENFWNRZIFYCR-UHFFFAOYSA-N 0 1 388.273 2.567 20 30 GEEDMN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000603970683 651505740 /nfs/dbraw/zinc/50/57/40/651505740.db2.gz BNBQLCHRAUJSMP-UHFFFAOYSA-N 0 1 399.881 2.263 20 30 GEEDMN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccc(Cl)cc1 ZINC000565653675 651596016 /nfs/dbraw/zinc/59/60/16/651596016.db2.gz GKDDSQJEZOZEPW-ZDUSSCGKSA-N 0 1 379.869 2.437 20 30 GEEDMN COc1cc(C(=O)NC2(C#N)CCN(C)CC2)cc(Br)c1OC ZINC000572307238 651884169 /nfs/dbraw/zinc/88/41/69/651884169.db2.gz GVVVLJWWHKBRQJ-UHFFFAOYSA-N 0 1 382.258 2.184 20 30 GEEDMN COc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c1 ZINC000616947328 651918853 /nfs/dbraw/zinc/91/88/53/651918853.db2.gz COVQAGDWLLPQID-LBPRGKRZSA-N 0 1 380.447 2.182 20 30 GEEDMN C=CCn1c(-c2cccs2)nnc1S(=O)(=O)[C@H](C)c1n[nH]c(CC)n1 ZINC000656556771 652039061 /nfs/dbraw/zinc/03/90/61/652039061.db2.gz NFUPGZXEUGFPDG-SNVBAGLBSA-N 0 1 378.483 2.408 20 30 GEEDMN N#CCC[C@H](C#N)CNC[C@@H](O)COc1ccc(I)cc1 ZINC000575123534 652063415 /nfs/dbraw/zinc/06/34/15/652063415.db2.gz LSKDMHYKNXDVLO-TZMCWYRMSA-N 0 1 399.232 2.064 20 30 GEEDMN N#CCC[C@@H](C#N)CNC[C@H](O)COc1ccc(I)cc1 ZINC000575123532 652063626 /nfs/dbraw/zinc/06/36/26/652063626.db2.gz LSKDMHYKNXDVLO-JSGCOSHPSA-N 0 1 399.232 2.064 20 30 GEEDMN CN1CCN(c2cccc(Cl)c2C=NNC(=S)NCC(F)(F)F)CC1 ZINC000746496320 652111232 /nfs/dbraw/zinc/11/12/32/652111232.db2.gz FSHVZDGZMRRWJW-UHFFFAOYSA-N 0 1 393.866 2.452 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000748005600 652187720 /nfs/dbraw/zinc/18/77/20/652187720.db2.gz ZIVNRXIBRUEJKU-UHFFFAOYSA-N 0 1 379.825 2.224 20 30 GEEDMN N#Cc1c(Cl)cccc1S(=O)(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000751105395 652323865 /nfs/dbraw/zinc/32/38/65/652323865.db2.gz VEFUPUBLACYCDR-AWEZNQCLSA-N 0 1 383.901 2.133 20 30 GEEDMN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)Oc1cccc(Cl)c1 ZINC000580553993 652383117 /nfs/dbraw/zinc/38/31/17/652383117.db2.gz KSIUNKFLMIZNCC-CYBMUJFWSA-N 0 1 379.869 2.437 20 30 GEEDMN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1nc(C)c(Br)s1 ZINC000583300738 652480249 /nfs/dbraw/zinc/48/02/49/652480249.db2.gz KUXJBPYUSVFWTC-NXEZZACHSA-N 0 1 381.317 2.474 20 30 GEEDMN Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000759265915 652567367 /nfs/dbraw/zinc/56/73/67/652567367.db2.gz TXURJJMHPKBVOP-UHFFFAOYSA-N 0 1 384.410 2.145 20 30 GEEDMN CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(C#N)ccc2O)ccc1Cl ZINC000759718044 652584550 /nfs/dbraw/zinc/58/45/50/652584550.db2.gz PFJFRXBUSNCJGJ-UHFFFAOYSA-N 0 1 379.825 2.420 20 30 GEEDMN CC(C)(N)c1noc(COc2ccc(C#N)cc2I)n1 ZINC000592171308 652589860 /nfs/dbraw/zinc/58/98/60/652589860.db2.gz MACMMXRXGFGOLY-UHFFFAOYSA-N 0 1 384.177 2.319 20 30 GEEDMN C[C@@H]1CN(CCCNC(=O)Cc2ccc(Br)cc2C#N)C[C@@H](C)O1 ZINC000593395501 652619689 /nfs/dbraw/zinc/61/96/89/652619689.db2.gz XNPOTDVJBVSXNY-ZIAGYGMSSA-N 0 1 394.313 2.479 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)c(F)c1 ZINC000762532794 652700106 /nfs/dbraw/zinc/70/01/06/652700106.db2.gz ZGONQPMQDPJHHK-JHJVBQTASA-N 0 1 376.475 2.494 20 30 GEEDMN COc1cccc(NC(=O)C(C#N)C(=O)c2csc(S(C)(=O)=O)c2)c1 ZINC000766623156 652889010 /nfs/dbraw/zinc/88/90/10/652889010.db2.gz ONHMUJPRCNFZKB-ZDUSSCGKSA-N 0 1 378.431 2.121 20 30 GEEDMN COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2csc(S(C)(=O)=O)c2)c1 ZINC000766623156 652889015 /nfs/dbraw/zinc/88/90/15/652889015.db2.gz ONHMUJPRCNFZKB-ZDUSSCGKSA-N 0 1 378.431 2.121 20 30 GEEDMN COc1cccc(NC(=O)C(C#N)C(=O)c2csc(S(C)(=O)=O)c2)c1 ZINC000766623155 652889056 /nfs/dbraw/zinc/88/90/56/652889056.db2.gz ONHMUJPRCNFZKB-CYBMUJFWSA-N 0 1 378.431 2.121 20 30 GEEDMN COc1cccc(NC(=O)[C@H](C#N)C(=O)c2csc(S(C)(=O)=O)c2)c1 ZINC000766623155 652889060 /nfs/dbraw/zinc/88/90/60/652889060.db2.gz ONHMUJPRCNFZKB-CYBMUJFWSA-N 0 1 378.431 2.121 20 30 GEEDMN C=CCN1CC[C@H](n2cc([C@H](N)c3ccc(Br)cc3)nn2)C1=O ZINC000641109122 653157849 /nfs/dbraw/zinc/15/78/49/653157849.db2.gz PMQVLARHDKDYKT-LSDHHAIUSA-N 0 1 376.258 2.048 20 30 GEEDMN C#C[C@H](C)N(C)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000769646644 653168082 /nfs/dbraw/zinc/16/80/82/653168082.db2.gz XFWHHUBYVGQRTJ-VIFPVBQESA-N 0 1 380.185 2.226 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)o1 ZINC000808070239 653216693 /nfs/dbraw/zinc/21/66/93/653216693.db2.gz LHZKGMXOMLJSDD-UHFFFAOYSA-N 0 1 385.195 2.486 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000808718273 653234299 /nfs/dbraw/zinc/23/42/99/653234299.db2.gz RYFXSLCJIMNMJJ-ZDUSSCGKSA-N 0 1 388.693 2.084 20 30 GEEDMN C#C[C@@H](NC(=O)N[C@H](C)CN1CCN(C)CC1)c1ccc(Br)cc1 ZINC000836349309 653345942 /nfs/dbraw/zinc/34/59/42/653345942.db2.gz LDOYJHCXUPCGFE-RHSMWYFYSA-N 0 1 393.329 2.059 20 30 GEEDMN COc1ncc(C=NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)s1 ZINC000812224907 653418156 /nfs/dbraw/zinc/41/81/56/653418156.db2.gz WKJPUCLSLSQVDI-UHFFFAOYSA-N 0 1 381.483 2.214 20 30 GEEDMN Cn1ncc(C=NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)c1Cl ZINC000814799919 653639617 /nfs/dbraw/zinc/63/96/17/653639617.db2.gz GZNAWMIXKREEOU-UHFFFAOYSA-N 0 1 382.877 2.135 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000841007992 653704997 /nfs/dbraw/zinc/70/49/97/653704997.db2.gz WIADIIVQLGJMOK-RDDDGLTNSA-N 0 1 388.063 2.445 20 30 GEEDMN COc1cc(CN=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)sn1 ZINC000817323018 653708251 /nfs/dbraw/zinc/70/82/51/653708251.db2.gz FUYYJSKLIGCVSB-UHFFFAOYSA-N 0 1 381.483 2.214 20 30 GEEDMN CCOC(=O)c1c(NC(=O)N[C@H]2CNC[C@H]2C#N)sc2c1CCCS2 ZINC000841157642 653708457 /nfs/dbraw/zinc/70/84/57/653708457.db2.gz IPQZYBKPUTZZJH-KOLCDFICSA-N 0 1 380.495 2.196 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000841194667 653709850 /nfs/dbraw/zinc/70/98/50/653709850.db2.gz OUTHQVIJKILDEU-GXSJLCMTSA-N 0 1 393.270 2.201 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000841199690 653710238 /nfs/dbraw/zinc/71/02/38/653710238.db2.gz MWSDSZKFWXFQAN-HZMBPMFUSA-N 0 1 379.251 2.471 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000841225969 653711149 /nfs/dbraw/zinc/71/11/49/653711149.db2.gz LWSZSTHXISVWHF-SCZZXKLOSA-N 0 1 393.270 2.201 20 30 GEEDMN C#CCN1CCC(C(=O)Nc2nn(CC(F)(F)F)cc2Br)CC1 ZINC000817481451 653712768 /nfs/dbraw/zinc/71/27/68/653712768.db2.gz OQEQJOCIIGUIQL-UHFFFAOYSA-N 0 1 393.207 2.492 20 30 GEEDMN C#CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)C(=O)OC ZINC000841539973 653730044 /nfs/dbraw/zinc/73/00/44/653730044.db2.gz IJJBESGEZACBIW-LBPRGKRZSA-N 0 1 394.674 2.087 20 30 GEEDMN CC1(C)Oc2ccsc2[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)[C@@H]1O ZINC000841542725 653730368 /nfs/dbraw/zinc/73/03/68/653730368.db2.gz MDAZPMZKHDFANX-HIFRSBDPSA-N 0 1 382.438 2.310 20 30 GEEDMN C#C[C@@H](NC(=O)N1CCN(CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000820611652 653777994 /nfs/dbraw/zinc/77/79/94/653777994.db2.gz MTWCJSNZKHBDGZ-MRXNPFEDSA-N 0 1 394.313 2.222 20 30 GEEDMN C#C[C@H](NC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C)c1ccc(Br)cc1 ZINC000820612708 653778469 /nfs/dbraw/zinc/77/84/69/653778469.db2.gz ZYGUMJMVEWENBA-CPUCHLNUSA-N 0 1 394.313 2.220 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000844194378 653803038 /nfs/dbraw/zinc/80/30/38/653803038.db2.gz FWHZRZMICDMSPV-NHYWBVRUSA-N 0 1 376.869 2.146 20 30 GEEDMN Cn1nc(Br)nc1CNC1CCN(c2ccccc2C#N)CC1 ZINC000895440167 653834449 /nfs/dbraw/zinc/83/44/49/653834449.db2.gz PGPASGYNGVYYPS-UHFFFAOYSA-N 0 1 375.274 2.208 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1F ZINC000793349963 653876079 /nfs/dbraw/zinc/87/60/79/653876079.db2.gz ARVBDOJQYFBPQY-UHFFFAOYSA-N 0 1 390.364 2.494 20 30 GEEDMN CC[C@@H](CC#N)NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000867108320 653879930 /nfs/dbraw/zinc/87/99/30/653879930.db2.gz MYTOMGSEGMKLDC-YBTHPKLGSA-N 0 1 394.316 2.432 20 30 GEEDMN Cc1nn[nH]c1C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286759 653922605 /nfs/dbraw/zinc/92/26/05/653922605.db2.gz HXLIRQFZLMQTMM-PHDIDXHHSA-N 0 1 378.223 2.356 20 30 GEEDMN C#C[C@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000796086446 653985125 /nfs/dbraw/zinc/98/51/25/653985125.db2.gz KJOKKLVCTHBCTL-LBPRGKRZSA-N 0 1 386.792 2.257 20 30 GEEDMN N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2nnc[nH]2)cc1Br ZINC000899107402 653999925 /nfs/dbraw/zinc/99/99/25/653999925.db2.gz MBDRFDGRWGILJD-ZDUSSCGKSA-N 0 1 376.214 2.181 20 30 GEEDMN O=C1NCCN1CCN=Cc1cc(Br)cc(Br)c1O ZINC000887272376 654028798 /nfs/dbraw/zinc/02/87/98/654028798.db2.gz MDWUHZUTMILCMM-VIZOYTHASA-N 0 1 391.063 2.361 20 30 GEEDMN C[C@@H](C(=O)OCc1nc2ccc(Br)cc2[nH]1)n1cnc(C#N)n1 ZINC000798743920 654075219 /nfs/dbraw/zinc/07/52/19/654075219.db2.gz FUPXCZFMOOTPOT-QMMMGPOBSA-N 0 1 375.186 2.093 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000834489167 654329339 /nfs/dbraw/zinc/32/93/39/654329339.db2.gz KEIQRVRJYSOLLK-ABAIWWIYSA-N 0 1 390.237 2.462 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000922022078 654356048 /nfs/dbraw/zinc/35/60/48/654356048.db2.gz GVJVERNOUNJSFZ-UHFFFAOYSA-N 0 1 396.310 2.039 20 30 GEEDMN N#CC(C(=O)CS(=O)(=O)C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000835063923 654360114 /nfs/dbraw/zinc/36/01/14/654360114.db2.gz BORAEONVJLZGKN-GFCCVEGCSA-N 0 1 375.233 2.218 20 30 GEEDMN N#CC(C(=O)CS(=O)(=O)C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000835063925 654360250 /nfs/dbraw/zinc/36/02/50/654360250.db2.gz BORAEONVJLZGKN-LBPRGKRZSA-N 0 1 375.233 2.218 20 30 GEEDMN N#Cc1c(NCc2c(F)cncc2Br)n[nH]c1N1CCOCC1 ZINC000922361192 654386517 /nfs/dbraw/zinc/38/65/17/654386517.db2.gz CPMGBBMXHPOVDS-UHFFFAOYSA-N 0 1 381.209 2.027 20 30 GEEDMN N#Cc1c(NCc2cc(Br)cc(F)c2O)n[nH]c1N1CCOCC1 ZINC000922359730 654386558 /nfs/dbraw/zinc/38/65/58/654386558.db2.gz BKDGOKDYCUMTOF-UHFFFAOYSA-N 0 1 396.220 2.337 20 30 GEEDMN CN1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000872665428 654387931 /nfs/dbraw/zinc/38/79/31/654387931.db2.gz YBCWKKMVAIYCFR-LSDHHAIUSA-N 0 1 384.299 2.178 20 30 GEEDMN C=CCOc1c(Cl)cc(CNC[C@]2(OC)CCS(=O)(=O)C2)cc1OC ZINC000922617236 654403636 /nfs/dbraw/zinc/40/36/36/654403636.db2.gz HMUHHFGPHLDFMP-QGZVFWFLSA-N 0 1 389.901 2.207 20 30 GEEDMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)CCN1C ZINC000906981059 654495436 /nfs/dbraw/zinc/49/54/36/654495436.db2.gz MAHVYKFIKSZGHO-DGCLKSJQSA-N 0 1 386.315 2.424 20 30 GEEDMN CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907395800 654539086 /nfs/dbraw/zinc/53/90/86/654539086.db2.gz CIIWZMZBEWSWEY-QWHCGFSZSA-N 0 1 384.299 2.178 20 30 GEEDMN C#CCC1(NC(=O)c2cccc(I)c2O)CCOCC1 ZINC000925425671 654544304 /nfs/dbraw/zinc/54/43/04/654544304.db2.gz JANOAXKGBAYZGQ-UHFFFAOYSA-N 0 1 385.201 2.299 20 30 GEEDMN C#CCN1CCC(NC(=O)[C@@]2(C)CC2(Br)Br)CC1 ZINC000928649241 654654332 /nfs/dbraw/zinc/65/43/32/654654332.db2.gz WNHNNTUDWKNBSR-GFCCVEGCSA-N 0 1 378.108 2.096 20 30 GEEDMN C#CCN1CCC(NC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000928650151 654654486 /nfs/dbraw/zinc/65/44/86/654654486.db2.gz ZVGJOFKNGZWFAG-UHFFFAOYSA-N 0 1 375.270 2.163 20 30 GEEDMN CON=CC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)cnn1C(C)C ZINC000912967186 654776724 /nfs/dbraw/zinc/77/67/24/654776724.db2.gz SCZNSXDKKDGCMK-UHFFFAOYSA-N 0 1 376.257 2.347 20 30 GEEDMN C=C[C@H](O)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)cnn1C(C)C ZINC000912966634 654776820 /nfs/dbraw/zinc/77/68/20/654776820.db2.gz CKWYHTZXJZARHW-QMMMGPOBSA-N 0 1 375.269 2.262 20 30 GEEDMN CN(C)CC#CCNC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000913518431 654796929 /nfs/dbraw/zinc/79/69/29/654796929.db2.gz OOYKEWOBNZHYJT-UHFFFAOYSA-N 0 1 375.523 2.115 20 30 GEEDMN CN(C)CC#CCNC(=O)c1c(F)ccc(I)c1Cl ZINC000913525292 654796965 /nfs/dbraw/zinc/79/69/65/654796965.db2.gz QUHHXIIXMDJZSC-UHFFFAOYSA-N 0 1 394.615 2.379 20 30 GEEDMN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC#CCN(C)C ZINC000913518254 654796974 /nfs/dbraw/zinc/79/69/74/654796974.db2.gz KFAJEMJPYNZQFI-HNNXBMFYSA-N 0 1 382.551 2.032 20 30 GEEDMN C#CCSCCNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914168312 654831349 /nfs/dbraw/zinc/83/13/49/654831349.db2.gz JDTBTFYXDOSQAI-QFIPXVFZSA-N 0 1 386.442 2.234 20 30 GEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@](C)(CO)c1cccc(Br)c1 ZINC000934497007 654851240 /nfs/dbraw/zinc/85/12/40/654851240.db2.gz GSNYIJGCNCHQRC-SUMWQHHRSA-N 0 1 382.302 2.254 20 30 GEEDMN CCNC(=O)CCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181440083 532298635 /nfs/dbraw/zinc/29/86/35/532298635.db2.gz GOKOWCZXBXEMGC-MRXNPFEDSA-N 0 1 379.302 2.158 20 30 GEEDMN CC1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1 ZINC000182835958 532318746 /nfs/dbraw/zinc/31/87/46/532318746.db2.gz YVMZDPIQOMLTSW-HNNXBMFYSA-N 0 1 378.567 2.284 20 30 GEEDMN N#CCCN1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000591020594 532395507 /nfs/dbraw/zinc/39/55/07/532395507.db2.gz PZGRFAKTEQQMCH-UHFFFAOYSA-N 0 1 383.265 2.448 20 30 GEEDMN CN(CCN(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1 ZINC000295059661 532400474 /nfs/dbraw/zinc/40/04/74/532400474.db2.gz CAQTZBRWXZGEKO-UHFFFAOYSA-N 0 1 390.278 2.175 20 30 GEEDMN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000591324654 532407263 /nfs/dbraw/zinc/40/72/63/532407263.db2.gz HPWLHZSWTJASPI-CQSZACIVSA-N 0 1 384.299 2.083 20 30 GEEDMN CO[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000564853692 532535195 /nfs/dbraw/zinc/53/51/95/532535195.db2.gz HQCDHXNCPQHABR-INIZCTEOSA-N 0 1 379.869 2.358 20 30 GEEDMN CO[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1 ZINC000564849687 532534433 /nfs/dbraw/zinc/53/44/33/532534433.db2.gz NYKBNCYXDAFMTH-INIZCTEOSA-N 0 1 379.869 2.358 20 30 GEEDMN CN(CC#Cc1ccccc1Cl)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433082285 532554024 /nfs/dbraw/zinc/55/40/24/532554024.db2.gz JZVFMFHNGZVEJK-UHFFFAOYSA-N 0 1 378.881 2.350 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CC1CN(C)C1 ZINC000598164833 532641880 /nfs/dbraw/zinc/64/18/80/532641880.db2.gz WUOPKOULOSREMY-UHFFFAOYSA-N 0 1 396.285 2.118 20 30 GEEDMN CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2ccsc2)cc1 ZINC000285233647 532660629 /nfs/dbraw/zinc/66/06/29/532660629.db2.gz VQAUIMXCZNMZKW-ICFOKQHNSA-N 0 1 399.519 2.362 20 30 GEEDMN C=CC[C@@H](CO)CNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000540434560 532738944 /nfs/dbraw/zinc/73/89/44/532738944.db2.gz OUGSCWYKMZPOAA-SECBINFHSA-N 0 1 385.205 2.082 20 30 GEEDMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cccc(C#N)c2Br)C1 ZINC000451614235 532766752 /nfs/dbraw/zinc/76/67/52/532766752.db2.gz RLRXFNCXFGMIPY-PWSUYJOCSA-N 0 1 376.214 2.041 20 30 GEEDMN CN1CCN(C)[C@@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000328752935 532797030 /nfs/dbraw/zinc/79/70/30/532797030.db2.gz DDHIENWMTDIRNZ-HNNXBMFYSA-N 0 1 392.301 2.185 20 30 GEEDMN COCCOc1ccc(C#N)cc1NC(=O)CSc1n[nH]c(=S)s1 ZINC000273269821 532821760 /nfs/dbraw/zinc/82/17/60/532821760.db2.gz PZNINPMNPYNSAA-UHFFFAOYSA-N 0 1 382.492 2.454 20 30 GEEDMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1Br ZINC000331166431 532834542 /nfs/dbraw/zinc/83/45/42/532834542.db2.gz GWLXKYUNBBUCKZ-HUUCEWRRSA-N 0 1 386.315 2.271 20 30 GEEDMN C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1CC(C)(C)O ZINC000331289723 532837136 /nfs/dbraw/zinc/83/71/36/532837136.db2.gz AXGMKTVPJRNYES-GFCCVEGCSA-N 0 1 380.286 2.238 20 30 GEEDMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000288760899 532837736 /nfs/dbraw/zinc/83/77/36/532837736.db2.gz KXETVQRXWAYFJB-GWCFXTLKSA-N 0 1 391.269 2.001 20 30 GEEDMN N#Cc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1Br ZINC000332389822 532854260 /nfs/dbraw/zinc/85/42/60/532854260.db2.gz ZANZNSWDSQNFCP-JTQLQIEISA-N 0 1 377.198 2.429 20 30 GEEDMN C=CC[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735409703 599203138 /nfs/dbraw/zinc/20/31/38/599203138.db2.gz IXWCZXRDQAORQG-LBPRGKRZSA-N 0 1 397.439 2.412 20 30 GEEDMN N#Cc1c(F)cccc1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737704968 598237285 /nfs/dbraw/zinc/23/72/85/598237285.db2.gz JIAZNKNVFQHZLP-UHFFFAOYSA-N 0 1 380.387 2.069 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(NNC(=S)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000737468013 598322556 /nfs/dbraw/zinc/32/25/56/598322556.db2.gz VXFSJIIXXITLLQ-UHFFFAOYSA-N 0 1 375.805 2.002 20 30 GEEDMN C=CCOc1ccccc1CNC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000735436011 598721134 /nfs/dbraw/zinc/72/11/34/598721134.db2.gz CJQOHMFGNVTBAY-UHFFFAOYSA-N 0 1 398.448 2.184 20 30 GEEDMN CC(C)(C)OC(=O)NCCCN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000819939980 607370785 /nfs/dbraw/zinc/37/07/85/607370785.db2.gz MTJWVATZVFCXGD-UHFFFAOYSA-N 0 1 378.437 2.465 20 30 GEEDMN Cc1ccc(OCC(=O)N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738637920 600566723 /nfs/dbraw/zinc/56/67/23/600566723.db2.gz BPPVOAJISVCFCW-OAQYLSRUSA-N 0 1 393.443 2.216 20 30 GEEDMN CC(C)c1nc(CN(C)[C@@H]2CC[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000827152143 601028180 /nfs/dbraw/zinc/02/81/80/601028180.db2.gz AXARBZWNXNXIIS-AEFFLSMTSA-N 0 1 383.452 2.397 20 30 GEEDMN CCN1CCN(c2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cn2)CC1 ZINC000829780035 601301121 /nfs/dbraw/zinc/30/11/21/601301121.db2.gz AJEAXVCWUKHEDW-HXUWFJFHSA-N 0 1 379.464 2.011 20 30 GEEDMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C[C@@H](O)c1ccccc1 ZINC000828413134 601315238 /nfs/dbraw/zinc/31/52/38/601315238.db2.gz PRKQIKXHWOXWAR-MAODMQOUSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000828413134 601315239 /nfs/dbraw/zinc/31/52/39/601315239.db2.gz PRKQIKXHWOXWAR-MAODMQOUSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000828413134 601315240 /nfs/dbraw/zinc/31/52/40/601315240.db2.gz PRKQIKXHWOXWAR-MAODMQOUSA-N 0 1 379.460 2.424 20 30 GEEDMN N#CCCN(C(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000833065413 601895030 /nfs/dbraw/zinc/89/50/30/601895030.db2.gz BDOBTAUPWAZQGH-HNNXBMFYSA-N 0 1 381.885 2.479 20 30 GEEDMN N#CCCN(C(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000833065413 601895032 /nfs/dbraw/zinc/89/50/32/601895032.db2.gz BDOBTAUPWAZQGH-HNNXBMFYSA-N 0 1 381.885 2.479 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000832618319 601922403 /nfs/dbraw/zinc/92/24/03/601922403.db2.gz RNQHGSVQNDCZKZ-LSDHHAIUSA-N 0 1 391.493 2.222 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000832618319 601922405 /nfs/dbraw/zinc/92/24/05/601922405.db2.gz RNQHGSVQNDCZKZ-LSDHHAIUSA-N 0 1 391.493 2.222 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739978227 602531224 /nfs/dbraw/zinc/53/12/24/602531224.db2.gz SOUQDICTDUURTI-HZPDHXFCSA-N 0 1 388.468 2.262 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739978227 602531226 /nfs/dbraw/zinc/53/12/26/602531226.db2.gz SOUQDICTDUURTI-HZPDHXFCSA-N 0 1 388.468 2.262 20 30 GEEDMN N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000740312212 603234585 /nfs/dbraw/zinc/23/45/85/603234585.db2.gz DADBDWSLBOXMKD-MOPGFXCFSA-N 0 1 384.480 2.419 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000740312212 603234588 /nfs/dbraw/zinc/23/45/88/603234588.db2.gz DADBDWSLBOXMKD-MOPGFXCFSA-N 0 1 384.480 2.419 20 30 GEEDMN CN(C[C@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(=O)[O-] ZINC000828222671 603579509 /nfs/dbraw/zinc/57/95/09/603579509.db2.gz CXUZYODDEWBQAN-CABCVRRESA-N 0 1 379.420 2.298 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000831141094 603707324 /nfs/dbraw/zinc/70/73/24/603707324.db2.gz CDZVEFJBEWLVCD-WMZOPIPTSA-N 0 1 391.493 2.186 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000831141094 603707327 /nfs/dbraw/zinc/70/73/27/603707327.db2.gz CDZVEFJBEWLVCD-WMZOPIPTSA-N 0 1 391.493 2.186 20 30 GEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000833572813 604861288 /nfs/dbraw/zinc/86/12/88/604861288.db2.gz CZNLSVHWOUYDLC-KKSFZXQISA-N 0 1 398.463 2.106 20 30 GEEDMN CCOCC[C@H](O)CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000444681091 649951680 /nfs/dbraw/zinc/95/16/80/649951680.db2.gz SJRPGOOXJYXQOH-ROUUACIJSA-N 0 1 396.329 2.419 20 30 GEEDMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000833626671 605115165 /nfs/dbraw/zinc/11/51/65/605115165.db2.gz RARKGIVCKRJTIH-HNNXBMFYSA-N 0 1 397.431 2.351 20 30 GEEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000833626671 605115170 /nfs/dbraw/zinc/11/51/70/605115170.db2.gz RARKGIVCKRJTIH-HNNXBMFYSA-N 0 1 397.431 2.351 20 30 GEEDMN Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1 ZINC000833923504 605322273 /nfs/dbraw/zinc/32/22/73/605322273.db2.gz ZXINMOOPRDEVTJ-KSZLIROESA-N 0 1 380.452 2.451 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC[C@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971522 605394901 /nfs/dbraw/zinc/39/49/01/605394901.db2.gz IYVFURQZULLSOE-IBGZPJMESA-N 0 1 384.480 2.373 20 30 GEEDMN N#Cc1cc(NCCC[NH+]2CCN(C(=O)[O-])CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000833975153 605947940 /nfs/dbraw/zinc/94/79/40/605947940.db2.gz RJBUDAHVBWSURY-UHFFFAOYSA-N 0 1 384.396 2.112 20 30 GEEDMN CN(C)c1nccc(C=NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)n1 ZINC000825887046 608388173 /nfs/dbraw/zinc/38/81/73/608388173.db2.gz BWEZGFPRLXYOMK-UHFFFAOYSA-N 0 1 377.334 2.188 20 30 GEEDMN COC(=O)[C@@H](C)n1cccc1CN=Nc1oc(CC(C)C)nc1-c1nn[nH]n1 ZINC000826104338 608388527 /nfs/dbraw/zinc/38/85/27/608388527.db2.gz UTMJMGCXJXHWGG-LLVKDONJSA-N 0 1 386.416 2.035 20 30 GEEDMN COc1cc(Br)ccc1CN=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000826176865 609374397 /nfs/dbraw/zinc/37/43/97/609374397.db2.gz HTCCPBKUJJRCFG-UHFFFAOYSA-N 0 1 378.190 2.380 20 30 GEEDMN Cc1ccc(-c2csc(C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000505662033 650439848 /nfs/dbraw/zinc/43/98/48/650439848.db2.gz NXOMLBNYPJBPJM-KBPBESRZSA-N 0 1 375.475 2.029 20 30 GEEDMN Cc1ccc(-c2csc(C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000505662034 650439853 /nfs/dbraw/zinc/43/98/53/650439853.db2.gz NXOMLBNYPJBPJM-KGLIPLIRSA-N 0 1 375.475 2.029 20 30 GEEDMN CCc1ncc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000460947310 650448540 /nfs/dbraw/zinc/44/85/40/650448540.db2.gz QUZVDYSJJANLTA-UHFFFAOYSA-N 0 1 378.523 2.330 20 30 GEEDMN CC(=O)c1cnccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000476454387 650550503 /nfs/dbraw/zinc/55/05/03/650550503.db2.gz VOCXRHDCJOVRGE-UHFFFAOYSA-N 0 1 380.223 2.141 20 30 GEEDMN Cc1nccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1Cl ZINC000478167612 650583587 /nfs/dbraw/zinc/58/35/87/650583587.db2.gz BHSJSZUMFZNVMM-UHFFFAOYSA-N 0 1 376.869 2.426 20 30 GEEDMN CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479487904 650604787 /nfs/dbraw/zinc/60/47/87/650604787.db2.gz GESPMMYZILMEHZ-UHFFFAOYSA-N 0 1 399.881 2.263 20 30 GEEDMN C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1csc(N(CC)C(C)=O)n1 ZINC000067029074 642959421 /nfs/dbraw/zinc/95/94/21/642959421.db2.gz MZQNWKAGRAQDFG-CYBMUJFWSA-N 0 1 380.495 2.038 20 30 GEEDMN N#C[C@H](c1ccc(Br)cc1)N1CCN(CCC2OCCO2)CC1 ZINC000125302434 643705003 /nfs/dbraw/zinc/70/50/03/643705003.db2.gz LWNKPYOSZBXSSK-MRXNPFEDSA-N 0 1 380.286 2.394 20 30 GEEDMN CC(C)NC(=O)C(C#N)C(=O)Cc1csc(NC(=O)c2cccs2)n1 ZINC000130879897 643854182 /nfs/dbraw/zinc/85/41/82/643854182.db2.gz OWUVVXCFHARYLI-NSHDSACASA-N 0 1 376.463 2.233 20 30 GEEDMN CS(=O)(=O)CC1(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000177601639 644420003 /nfs/dbraw/zinc/42/00/03/644420003.db2.gz JBQKTJGJSVDISD-NSHDSACASA-N 0 1 386.832 2.341 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)cn1 ZINC000195440754 645378704 /nfs/dbraw/zinc/37/87/04/645378704.db2.gz KTZLBOKFSIFRJW-UHFFFAOYSA-N 0 1 378.841 2.244 20 30 GEEDMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)CCN1C ZINC000278877024 646560060 /nfs/dbraw/zinc/56/00/60/646560060.db2.gz SHEJFXCQLFROCG-DGCLKSJQSA-N 0 1 386.315 2.424 20 30 GEEDMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000283669395 646826392 /nfs/dbraw/zinc/82/63/92/646826392.db2.gz ZVWPZJRMEMOHSZ-AWEZNQCLSA-N 0 1 386.315 2.426 20 30 GEEDMN COc1ccc(NC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c(Br)c1 ZINC000330538104 647343510 /nfs/dbraw/zinc/34/35/10/647343510.db2.gz KXUVGXXUOUKNHB-RYUDHWBXSA-N 0 1 386.290 2.390 20 30 GEEDMN C=C[C@@H]1OCC[C@H]1CNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000424933381 648657561 /nfs/dbraw/zinc/65/75/61/648657561.db2.gz QENZSAMDYVDNLY-ZANVPECISA-N 0 1 397.216 2.488 20 30 GEEDMN C=CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)Cc1n[nH]c(C)n1 ZINC000427066904 648721769 /nfs/dbraw/zinc/72/17/69/648721769.db2.gz JQIRZUQAXKJPIK-UHFFFAOYSA-N 0 1 378.845 2.185 20 30 GEEDMN C=CCC(C)(C)CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000432298529 648775654 /nfs/dbraw/zinc/77/56/54/648775654.db2.gz MXIAJEBFLDOYQT-UHFFFAOYSA-N 0 1 390.527 2.337 20 30 GEEDMN CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603975032 651506195 /nfs/dbraw/zinc/50/61/95/651506195.db2.gz DZFFOQHOROCBPR-UHFFFAOYSA-N 0 1 385.854 2.384 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)COc1ccc(I)cc1 ZINC000729809593 651579937 /nfs/dbraw/zinc/57/99/37/651579937.db2.gz MONORVQBVSEAME-AWEZNQCLSA-N 0 1 399.228 2.311 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000729811703 651580146 /nfs/dbraw/zinc/58/01/46/651580146.db2.gz AVEMPGJEJIQHBB-LBPRGKRZSA-N 0 1 399.310 2.223 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000729812114 651580481 /nfs/dbraw/zinc/58/04/81/651580481.db2.gz LYYKAOUYBWMPCE-ZDUSSCGKSA-N 0 1 380.238 2.475 20 30 GEEDMN N#Cc1cc(S(=O)(=O)NC2CCN(C[C@H]3CCCO3)CC2)ccc1Cl ZINC000734244926 651740719 /nfs/dbraw/zinc/74/07/19/651740719.db2.gz ZGEHBLUDPDPKDU-OAHLLOKOSA-N 0 1 383.901 2.133 20 30 GEEDMN CCn1c(CNC[C@@H](O)CN(C)CCC#N)nc2cc(Br)ccc21 ZINC000572993070 651927980 /nfs/dbraw/zinc/92/79/80/651927980.db2.gz MEUKNUXVCVWTCZ-CQSZACIVSA-N 0 1 394.317 2.115 20 30 GEEDMN CS(=O)(=O)c1c(F)cc(NS(=O)(=O)c2cccc(CC#N)c2)cc1F ZINC000619462645 652059587 /nfs/dbraw/zinc/05/95/87/652059587.db2.gz WVNOVCBCAAXIPC-UHFFFAOYSA-N 0 1 386.401 2.235 20 30 GEEDMN CS(=O)(=O)Nc1cc(F)ccc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619463740 652059898 /nfs/dbraw/zinc/05/98/98/652059898.db2.gz VUZVOTVZVDIUCH-UHFFFAOYSA-N 0 1 383.426 2.064 20 30 GEEDMN C[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000755168175 652459661 /nfs/dbraw/zinc/45/96/61/652459661.db2.gz ZMBKNBOOHYLEGP-VIFPVBQESA-N 0 1 375.397 2.028 20 30 GEEDMN Oc1cc(C=NNc2ccc(-n3cccn3)nn2)cc(Br)c1O ZINC000757579409 652518676 /nfs/dbraw/zinc/51/86/76/652518676.db2.gz NPQLNTUXDPVMGT-UHFFFAOYSA-N 0 1 375.186 2.282 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000588115134 652547654 /nfs/dbraw/zinc/54/76/54/652547654.db2.gz GJHCVLXKKZQQHV-GFCCVEGCSA-N 0 1 384.299 2.083 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000593507783 652623380 /nfs/dbraw/zinc/62/33/80/652623380.db2.gz KUKKRBPYDUWSFU-CQSZACIVSA-N 0 1 392.297 2.044 20 30 GEEDMN C=CCN1CC(=O)N(Cc2n[nH]c(-c3ccc(Br)cc3)n2)C1=O ZINC000761223767 652637270 /nfs/dbraw/zinc/63/72/70/652637270.db2.gz RWCUQQGTXLHEPL-UHFFFAOYSA-N 0 1 376.214 2.184 20 30 GEEDMN C=CCN1CC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O ZINC000761223767 652637271 /nfs/dbraw/zinc/63/72/71/652637271.db2.gz RWCUQQGTXLHEPL-UHFFFAOYSA-N 0 1 376.214 2.184 20 30 GEEDMN CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCN1 ZINC000595412932 652724877 /nfs/dbraw/zinc/72/48/77/652724877.db2.gz PHBYRKNIEPWIJS-ZDUSSCGKSA-N 0 1 390.278 2.078 20 30 GEEDMN C[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1)n1cnc(C#N)n1 ZINC000600470173 652917536 /nfs/dbraw/zinc/91/75/36/652917536.db2.gz GXXMHVZPTCVFED-IINYFYTJSA-N 0 1 381.267 2.437 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1N1CCCC1 ZINC000601396678 653090938 /nfs/dbraw/zinc/09/09/38/653090938.db2.gz GONYDWDIROCBSP-CVEARBPZSA-N 0 1 383.514 2.206 20 30 GEEDMN Cc1[nH]n(-c2cc(C#N)ccc2Br)c(=O)c1[C@H]1CCS(=O)(=O)C1 ZINC000601945710 653132268 /nfs/dbraw/zinc/13/22/68/653132268.db2.gz AGSMOMZOXXBACZ-SMDDNHRTSA-N 0 1 396.266 2.094 20 30 GEEDMN C#CCN1CCC(C(=O)OCc2cn3cc(Br)ccc3n2)CC1 ZINC000772114236 653139784 /nfs/dbraw/zinc/13/97/84/653139784.db2.gz MYSICDITUWLLKB-UHFFFAOYSA-N 0 1 376.254 2.485 20 30 GEEDMN C=CCN1CC[C@@H](n2cc([C@H](N)c3ccc(Br)cc3)nn2)C1=O ZINC000641109120 653157933 /nfs/dbraw/zinc/15/79/33/653157933.db2.gz PMQVLARHDKDYKT-HUUCEWRRSA-N 0 1 376.258 2.048 20 30 GEEDMN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)CCc2cnc[nH]2)n1 ZINC000806408466 653161886 /nfs/dbraw/zinc/16/18/86/653161886.db2.gz CQSRKDORYYZBRE-UHFFFAOYSA-N 0 1 375.483 2.095 20 30 GEEDMN NS(=O)(=O)c1ccccc1N=NCc1cc2c(c(Br)c1)OCO2 ZINC000773126465 653182688 /nfs/dbraw/zinc/18/26/88/653182688.db2.gz XOOVDFOATOVGIX-UHFFFAOYSA-N 0 1 398.238 2.271 20 30 GEEDMN C#CCOc1ccccc1NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000775298215 653309600 /nfs/dbraw/zinc/30/96/00/653309600.db2.gz LVZJLUXUQYYGPK-UHFFFAOYSA-N 0 1 383.422 2.042 20 30 GEEDMN CCN(CC)S(=O)(=O)c1ccc(NN=Cc2c(C)nn(C)c2Cl)nc1 ZINC000812489311 653428307 /nfs/dbraw/zinc/42/83/07/653428307.db2.gz XUAOOZADLXZSET-UHFFFAOYSA-N 0 1 384.893 2.253 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000840952101 653703419 /nfs/dbraw/zinc/70/34/19/653703419.db2.gz RHDADWXGSIECIA-UHFFFAOYSA-N 0 1 386.901 2.123 20 30 GEEDMN CCOc1cc(Br)c(NC(=O)N[C@@H]2CNC[C@H]2C#N)cc1OCC ZINC000841082423 653706174 /nfs/dbraw/zinc/70/61/74/653706174.db2.gz KXZDDWYEBVJUNY-ZWNOBZJWSA-N 0 1 397.273 2.480 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000841145840 653707681 /nfs/dbraw/zinc/70/76/81/653707681.db2.gz WJTYKTVNQUVPPA-WRWORJQWSA-N 0 1 390.612 2.178 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000841199692 653710397 /nfs/dbraw/zinc/71/03/97/653710397.db2.gz MWSDSZKFWXFQAN-QMTHXVAHSA-N 0 1 379.251 2.471 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000841251385 653712443 /nfs/dbraw/zinc/71/24/43/653712443.db2.gz UGCGXYGMYQOAIF-RDDDGLTNSA-N 0 1 390.612 2.178 20 30 GEEDMN CC(C)CCNC(=S)NN=C1C(=O)Nc2cc(O)c(Br)cc21 ZINC000841613200 653737871 /nfs/dbraw/zinc/73/78/71/653737871.db2.gz XBUAVDLUKAFQQL-UHFFFAOYSA-N 0 1 385.287 2.321 20 30 GEEDMN O=C1Nc2cc(O)c(Br)cc2C1=NNC(=S)NCC1CCC1 ZINC000841626303 653737911 /nfs/dbraw/zinc/73/79/11/653737911.db2.gz GBNXRGBQMDRUMV-UHFFFAOYSA-N 0 1 383.271 2.075 20 30 GEEDMN COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2F)s1 ZINC000788061682 653748635 /nfs/dbraw/zinc/74/86/35/653748635.db2.gz FRORPWVLAUKDRJ-UHFFFAOYSA-N 0 1 383.426 2.458 20 30 GEEDMN C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)N1CCCCC1 ZINC000788599517 653760373 /nfs/dbraw/zinc/76/03/73/653760373.db2.gz CGFZDYQYMSFYNQ-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN C#CCN(C(=O)[C@H](O)c1c[nH]cn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000865825768 653776331 /nfs/dbraw/zinc/77/63/31/653776331.db2.gz GJYIIQVBOVOEAQ-GOEBONIOSA-N 0 1 390.237 2.191 20 30 GEEDMN C#CCC1(O)CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000882523775 653786611 /nfs/dbraw/zinc/78/66/11/653786611.db2.gz RHVBWTKPGCOTBM-UHFFFAOYSA-N 0 1 389.249 2.281 20 30 GEEDMN COCCC1N=NC(=S)N1N=Cc1cc(Br)cc(F)c1O ZINC000884432792 653876452 /nfs/dbraw/zinc/87/64/52/653876452.db2.gz PZJYVUCEOLYRBO-UHFFFAOYSA-N 0 1 375.223 2.245 20 30 GEEDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284174 653922576 /nfs/dbraw/zinc/92/25/76/653922576.db2.gz SCBFRCNGJDHIOU-JRTVQGFMSA-N 0 1 382.207 2.281 20 30 GEEDMN C#CC[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1Br)C(=O)OC ZINC000827684300 654003880 /nfs/dbraw/zinc/00/38/80/654003880.db2.gz QBGIOYBISHSSLE-LBPRGKRZSA-N 0 1 394.674 2.087 20 30 GEEDMN C#C[C@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(C)C ZINC000798472751 654065355 /nfs/dbraw/zinc/06/53/55/654065355.db2.gz RXQWWFBCPHVKCO-VIFPVBQESA-N 0 1 380.285 2.233 20 30 GEEDMN CCc1nc(COC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n[nH]1 ZINC000829447554 654067608 /nfs/dbraw/zinc/06/76/08/654067608.db2.gz MHIVHFFDRKUDNA-UHFFFAOYSA-N 0 1 390.241 2.181 20 30 GEEDMN C=CCS(=O)(=O)CCN[C@H]1CCc2ccc(I)cc21 ZINC000850459857 654077821 /nfs/dbraw/zinc/07/78/21/654077821.db2.gz IHBZRVUGSPFIDG-AWEZNQCLSA-N 0 1 391.274 2.469 20 30 GEEDMN O=S(=O)(NC1CC1)c1ccc(NN=Cc2csc(C(F)(F)F)n2)nc1 ZINC000901166994 654112769 /nfs/dbraw/zinc/11/27/69/654112769.db2.gz HZEIZUSRSZOESB-UHFFFAOYSA-N 0 1 391.400 2.444 20 30 GEEDMN N#CCCNC(=O)CN1CC[C@H](Cc2cccc(I)c2)C1 ZINC000830514785 654123478 /nfs/dbraw/zinc/12/34/78/654123478.db2.gz LROWNOOMXDLMJK-CQSZACIVSA-N 0 1 397.260 2.185 20 30 GEEDMN N#Cc1cccnc1NCCNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000800455423 654145633 /nfs/dbraw/zinc/14/56/33/654145633.db2.gz MLUCNSSKDLIXHS-UHFFFAOYSA-N 0 1 385.225 2.434 20 30 GEEDMN C=C(Cl)C[C@@H](NS(=O)(=O)c1occc1Br)C(=O)OCC ZINC000918544741 654154244 /nfs/dbraw/zinc/15/42/44/654154244.db2.gz USXAANLABNQDGP-SECBINFHSA-N 0 1 386.651 2.395 20 30 GEEDMN C#C[C@@H](NCCS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000853116552 654280149 /nfs/dbraw/zinc/28/01/49/654280149.db2.gz XIPWFYYFLMSLPP-MRXNPFEDSA-N 0 1 386.311 2.241 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000834493496 654329747 /nfs/dbraw/zinc/32/97/47/654329747.db2.gz DTYDUELABCDSFN-LDYMZIIASA-N 0 1 397.323 2.404 20 30 GEEDMN CC(C)N1CCO[C@@H](COC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000835297991 654378374 /nfs/dbraw/zinc/37/83/74/654378374.db2.gz RDIVPEXYVKZZGW-OAHLLOKOSA-N 0 1 397.269 2.352 20 30 GEEDMN N#Cc1ccc(O[C@H]2CCN(Cc3ncc(Br)cc3O)C2)nc1 ZINC000894585821 654488248 /nfs/dbraw/zinc/48/82/48/654488248.db2.gz QIKOIILRTVHAOD-ZDUSSCGKSA-N 0 1 375.226 2.470 20 30 GEEDMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)CCN1C ZINC000906981060 654495372 /nfs/dbraw/zinc/49/53/72/654495372.db2.gz MAHVYKFIKSZGHO-WCQYABFASA-N 0 1 386.315 2.424 20 30 GEEDMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2ccc(Br)c(C#N)c2)n[nH]1 ZINC000907226035 654521743 /nfs/dbraw/zinc/52/17/43/654521743.db2.gz UIGNZROEDCJYCY-SNVBAGLBSA-N 0 1 383.271 2.262 20 30 GEEDMN Cc1c(C)c(NC(=O)N[C@@H]2CNC[C@H]2C#N)ccc1I ZINC000926204422 654563292 /nfs/dbraw/zinc/56/32/92/654563292.db2.gz UXCNMNCBYUDQKO-ZWNOBZJWSA-N 0 1 384.221 2.141 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(I)ccc2C)CC1 ZINC000928654606 654654689 /nfs/dbraw/zinc/65/46/89/654654689.db2.gz JCHUBZPGBSYZQB-UHFFFAOYSA-N 0 1 382.245 2.427 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cccc(C)c2I)CC1 ZINC000928657278 654654868 /nfs/dbraw/zinc/65/48/68/654654868.db2.gz VBUYFVUVVCSLPT-UHFFFAOYSA-N 0 1 382.245 2.427 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000928654149 654654889 /nfs/dbraw/zinc/65/48/89/654654889.db2.gz PDLKNEYJPCYWGP-UHFFFAOYSA-N 0 1 387.281 2.462 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(F)ccc2I)CC1 ZINC000928658722 654655158 /nfs/dbraw/zinc/65/51/58/654655158.db2.gz ZUJDPMGODIAOOS-UHFFFAOYSA-N 0 1 386.208 2.258 20 30 GEEDMN FC1(F)[C@H]2CN(CCN3CCOCC3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941316 654794961 /nfs/dbraw/zinc/79/49/61/654794961.db2.gz AHFJNDKLDXFPDX-UWVGGRQHSA-N 0 1 382.295 2.421 20 30 GEEDMN CN(C)CC#CCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000913521538 654797034 /nfs/dbraw/zinc/79/70/34/654797034.db2.gz DCTORWPTWVZWAP-UHFFFAOYSA-N 0 1 382.245 2.004 20 30 GEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000913516902 654797066 /nfs/dbraw/zinc/79/70/66/654797066.db2.gz LBPCHTMJXAWTIF-INIZCTEOSA-N 0 1 382.291 2.279 20 30 GEEDMN COC(=O)[C@@H](CC(F)(F)F)NS(=O)(=O)Cc1c(C)cc(C#N)cc1C ZINC000914376012 654849535 /nfs/dbraw/zinc/84/95/35/654849535.db2.gz RIQYYOUMULOVTG-CYBMUJFWSA-N 0 1 378.372 2.089 20 30 GEEDMN CC(C)(C#N)C[C@H](O)CN[C@@H](CO)c1ccccc1I ZINC000934827638 654861896 /nfs/dbraw/zinc/86/18/96/654861896.db2.gz YEIBJVIKBFPDIB-FZMZJTMJSA-N 0 1 388.249 2.215 20 30 GEEDMN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN=Nc1cc(C)nc(C)n1 ZINC000915970522 654883722 /nfs/dbraw/zinc/88/37/22/654883722.db2.gz FCHBVGXFVIPDBK-GFCCVEGCSA-N 0 1 382.877 2.057 20 30 GEEDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164685596 719722813 /nfs/dbraw/zinc/72/28/13/719722813.db2.gz MNSUYILPNFHWNZ-UHFFFAOYSA-N 0 1 397.857 2.332 20 30 GEEDMN C=CCN1C(=O)CC[C@]12CCCN(c1ccc(N3CCN(C)CC3)nn1)[C@@H]2CC ZINC001164699224 719821019 /nfs/dbraw/zinc/82/10/19/719821019.db2.gz GXZSZYKNUOHNPI-GCJKJVERSA-N 0 1 398.555 2.154 20 30 GEEDMN N#Cc1c(Cl)cc(Cl)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742808 720801609 /nfs/dbraw/zinc/80/16/09/720801609.db2.gz FCDAQJUHTPGXHU-NWDGAFQWSA-N 0 1 391.262 2.392 20 30 GEEDMN N#Cc1cc(C#N)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164865774 721086283 /nfs/dbraw/zinc/08/62/83/721086283.db2.gz PLAGITLFKMTQLQ-MSOLQXFVSA-N 0 1 394.866 2.353 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCC5)C3)O2)CC1 ZINC001164890747 721434991 /nfs/dbraw/zinc/43/49/91/721434991.db2.gz DXOABBJFUNCWJL-REWPJTCUSA-N 0 1 395.551 2.207 20 30 GEEDMN COc1cc(C#N)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164798565 721558102 /nfs/dbraw/zinc/55/81/02/721558102.db2.gz BLCPYPQAWOCBRU-SVFBPWRDSA-N 0 1 379.464 2.225 20 30 GEEDMN CN(C)C(=O)CN1CCC2(CCCN2c2ncc(CC#N)cc2Cl)CC1 ZINC001165013092 721747763 /nfs/dbraw/zinc/74/77/63/721747763.db2.gz UDZWHKUBDLOEKC-UHFFFAOYSA-N 0 1 375.904 2.324 20 30 GEEDMN Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(C#N)n1 ZINC001164961684 722058708 /nfs/dbraw/zinc/05/87/08/722058708.db2.gz OBSTWFGILWGSCM-UHFFFAOYSA-N 0 1 378.480 2.171 20 30 GEEDMN N#Cc1c(Cl)ncnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984767 722106319 /nfs/dbraw/zinc/10/63/19/722106319.db2.gz UXNNFDOZQFBFSH-NVXWUHKLSA-N 0 1 384.871 2.124 20 30 GEEDMN N#Cc1cc(Cl)nnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984358 722107049 /nfs/dbraw/zinc/10/70/49/722107049.db2.gz SSBLVPGNVXVCKC-WBVHZDCISA-N 0 1 384.871 2.124 20 30 GEEDMN C=CCOC[C@H]1CCC[C@@]12CN(c1cccc(N3CCN(C)CC3)n1)CCO2 ZINC001164974614 722168692 /nfs/dbraw/zinc/16/86/92/722168692.db2.gz GKYKACFOLHHINW-DENIHFKCSA-N 0 1 386.540 2.412 20 30 GEEDMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CCN1C ZINC000155239239 531668440 /nfs/dbraw/zinc/66/84/40/531668440.db2.gz COTIKVHMZBYOID-FZMZJTMJSA-N 0 1 386.315 2.424 20 30 GEEDMN CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000180080563 532255636 /nfs/dbraw/zinc/25/56/36/532255636.db2.gz YFKLZBSSNFQAFJ-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)ccc1[O-] ZINC000186039430 532339755 /nfs/dbraw/zinc/33/97/55/532339755.db2.gz RIDJYLXARCMMCZ-GLTXTHCDSA-N 0 1 380.242 2.332 20 30 GEEDMN N#CCCN(CCN1CCOCC1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000184977549 532336458 /nfs/dbraw/zinc/33/64/58/532336458.db2.gz AGJLDDUYDIXTMP-UHFFFAOYSA-N 0 1 392.301 2.373 20 30 GEEDMN COC(=O)CCN1CCN(Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191822276 532368549 /nfs/dbraw/zinc/36/85/49/532368549.db2.gz ABNXWCHRQYIZIK-CYBMUJFWSA-N 0 1 380.286 2.390 20 30 GEEDMN N#Cc1ccc(OCC(=O)N2CCC(c3nc[nH]n3)CC2)cc1Br ZINC000590675890 532381285 /nfs/dbraw/zinc/38/12/85/532381285.db2.gz JOOGAPAISHEODJ-UHFFFAOYSA-N 0 1 390.241 2.224 20 30 GEEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cccc(S(C)(=O)=O)c2)n1 ZINC000516795286 532391126 /nfs/dbraw/zinc/39/11/26/532391126.db2.gz CJMNPPOJGVQYIR-GFCCVEGCSA-N 0 1 378.431 2.213 20 30 GEEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(S(C)(=O)=O)c2)n1 ZINC000516795286 532391128 /nfs/dbraw/zinc/39/11/28/532391128.db2.gz CJMNPPOJGVQYIR-GFCCVEGCSA-N 0 1 378.431 2.213 20 30 GEEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccccc1N(C)S(C)(=O)=O ZINC000466286848 532423499 /nfs/dbraw/zinc/42/34/99/532423499.db2.gz KTWNYVKXSDIUTI-UHFFFAOYSA-N 0 1 379.463 2.063 20 30 GEEDMN C[C@@H]1CC[N@@H+](CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592767972 532462228 /nfs/dbraw/zinc/46/22/28/532462228.db2.gz CHVQRKDAIVMKHV-CYBMUJFWSA-N 0 1 391.313 2.215 20 30 GEEDMN C[C@@H]1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[N@H+]1C ZINC000592767275 532462448 /nfs/dbraw/zinc/46/24/48/532462448.db2.gz SGXSAXXQADWEDG-WBMJQRKESA-N 0 1 391.313 2.356 20 30 GEEDMN CN(CCN1CCCCC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000593666292 532494259 /nfs/dbraw/zinc/49/42/59/532494259.db2.gz PIDDGOSXWAYYAQ-UHFFFAOYSA-N 0 1 386.315 2.427 20 30 GEEDMN CN(CCN1CCCCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000593667238 532495003 /nfs/dbraw/zinc/49/50/03/532495003.db2.gz XECZXEKBFVSPMT-UHFFFAOYSA-N 0 1 386.315 2.427 20 30 GEEDMN C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000374588015 532513256 /nfs/dbraw/zinc/51/32/56/532513256.db2.gz UXKNSFYWZORINZ-UNEWFSDZSA-N 0 1 384.933 2.401 20 30 GEEDMN COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000520777579 532498548 /nfs/dbraw/zinc/49/85/48/532498548.db2.gz HOIXLZWWIVBIRU-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000594801304 532531319 /nfs/dbraw/zinc/53/13/19/532531319.db2.gz MRWCGQNCMFCYKA-ZDUSSCGKSA-N 0 1 386.315 2.472 20 30 GEEDMN CO[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(Cl)c1 ZINC000564849690 532534331 /nfs/dbraw/zinc/53/43/31/532534331.db2.gz NYKBNCYXDAFMTH-MRXNPFEDSA-N 0 1 379.869 2.358 20 30 GEEDMN C=CCS(=O)(=O)CCNCc1cc(Br)c(O)c(OCC)c1 ZINC000297644057 532599410 /nfs/dbraw/zinc/59/94/10/532599410.db2.gz MWSWLERWEAVTMY-UHFFFAOYSA-N 0 1 378.288 2.244 20 30 GEEDMN Cc1nc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)sc1C ZINC000435218282 532610835 /nfs/dbraw/zinc/61/08/35/532610835.db2.gz UTFCJSWEHCIKMU-UHFFFAOYSA-N 0 1 378.523 2.384 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000436474833 532635759 /nfs/dbraw/zinc/63/57/59/532635759.db2.gz DWSCOUCHBUJANS-UHFFFAOYSA-N 0 1 392.234 2.365 20 30 GEEDMN C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436539360 532637209 /nfs/dbraw/zinc/63/72/09/532637209.db2.gz OKIHKYFEKARRFD-JTQLQIEISA-N 0 1 379.825 2.488 20 30 GEEDMN C=CCNC(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000298940720 532685592 /nfs/dbraw/zinc/68/55/92/532685592.db2.gz CTJSVXTXIMILDS-LBPRGKRZSA-N 0 1 395.301 2.185 20 30 GEEDMN CN(CCC#N)S(=O)(=O)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000603394733 532693313 /nfs/dbraw/zinc/69/33/13/532693313.db2.gz XHNIDEULVJNZKU-UHFFFAOYSA-N 0 1 375.376 2.104 20 30 GEEDMN CS(=O)(=O)NCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000502831996 532741028 /nfs/dbraw/zinc/74/10/28/532741028.db2.gz ONCLOGPJTJYZGP-UHFFFAOYSA-N 0 1 399.881 2.062 20 30 GEEDMN C#CCN1CCC(C(=O)N2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000270388634 532796902 /nfs/dbraw/zinc/79/69/02/532796902.db2.gz XQEIJEQDHCBRMY-UHFFFAOYSA-N 0 1 376.254 2.079 20 30 GEEDMN CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000329161254 532802884 /nfs/dbraw/zinc/80/28/84/532802884.db2.gz YXLFCYGUMFKNDC-HTQZYQBOSA-N 0 1 382.305 2.247 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000288198953 532820521 /nfs/dbraw/zinc/82/05/21/532820521.db2.gz QBUMWPGHWCQZOP-LBPRGKRZSA-N 0 1 381.255 2.400 20 30 GEEDMN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1Br ZINC000330619168 532822717 /nfs/dbraw/zinc/82/27/17/532822717.db2.gz ZAMLHKVKGMNULA-HUUCEWRRSA-N 0 1 386.315 2.271 20 30 GEEDMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000331428373 532839347 /nfs/dbraw/zinc/83/93/47/532839347.db2.gz BUELBIQAGSMXBT-MEBBXXQBSA-N 0 1 384.299 2.082 20 30 GEEDMN N#CCN1CCC[C@@H](CNC(=O)c2cc(Br)cc3nc[nH]c32)C1 ZINC000289930402 532868306 /nfs/dbraw/zinc/86/83/06/532868306.db2.gz BUXRYGVQDXNDCK-NSHDSACASA-N 0 1 376.258 2.291 20 30 GEEDMN CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419726727 532882795 /nfs/dbraw/zinc/88/27/95/532882795.db2.gz HUDVFWHWACKVNZ-ZDUSSCGKSA-N 0 1 393.285 2.200 20 30 GEEDMN C#CCN(C(=O)CCc1nc[nH]n1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365860455 532912423 /nfs/dbraw/zinc/91/24/23/532912423.db2.gz IPBVKJGGMXJMDG-AWEZNQCLSA-N 0 1 389.253 2.485 20 30 GEEDMN N#Cc1ncn(-c2ccccc2NC(=O)CSc2n[nH]c(=S)s2)n1 ZINC000366450570 532917446 /nfs/dbraw/zinc/91/74/46/532917446.db2.gz JMCTUKUNOVFFLD-UHFFFAOYSA-N 0 1 375.464 2.010 20 30 GEEDMN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000369333780 532938717 /nfs/dbraw/zinc/93/87/17/532938717.db2.gz GOBKXLQMQCXSOF-JTQLQIEISA-N 0 1 379.408 2.087 20 30 GEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735419723 598248550 /nfs/dbraw/zinc/24/85/50/598248550.db2.gz ZGRWACDOGJTYNH-INIZCTEOSA-N 0 1 396.495 2.299 20 30 GEEDMN N#Cc1ccccc1N1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737727703 598251757 /nfs/dbraw/zinc/25/17/57/598251757.db2.gz RDCHLKXFEWIYFF-UHFFFAOYSA-N 0 1 389.463 2.329 20 30 GEEDMN N#CCOc1ccc(CN2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000737696130 598537927 /nfs/dbraw/zinc/53/79/27/598537927.db2.gz OHBDLMACXBQJQL-UHFFFAOYSA-N 0 1 393.426 2.230 20 30 GEEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1nnc2ccccc2c1O ZINC000735418574 598719322 /nfs/dbraw/zinc/71/93/22/598719322.db2.gz HCXGDANRKIRMEC-UHFFFAOYSA-N 0 1 387.403 2.344 20 30 GEEDMN N#CC(C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CCCC1 ZINC000737672987 598734740 /nfs/dbraw/zinc/73/47/40/598734740.db2.gz TVJJAPFOWCNDDU-QGZVFWFLSA-N 0 1 396.451 2.183 20 30 GEEDMN C=CCCOC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735413248 598784374 /nfs/dbraw/zinc/78/43/74/598784374.db2.gz QWWYDZANTWQIFH-UHFFFAOYSA-N 0 1 384.396 2.450 20 30 GEEDMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1-c1nn[nH]n1 ZINC000821971096 599552996 /nfs/dbraw/zinc/55/29/96/599552996.db2.gz XOYDDBMHYJFUFN-SECBINFHSA-N 0 1 381.421 2.052 20 30 GEEDMN N#Cc1ccc(NC(=O)CC[N@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1Cl ZINC000739123052 600513097 /nfs/dbraw/zinc/51/30/97/600513097.db2.gz MEFRSGJEKAJDJX-HNNXBMFYSA-N 0 1 379.844 2.496 20 30 GEEDMN Cc1ccc(CC(=O)N2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738584615 600567967 /nfs/dbraw/zinc/56/79/67/600567967.db2.gz MNKCDRXYWSDFTE-NRFANRHFSA-N 0 1 377.444 2.379 20 30 GEEDMN C[N@H+](CCN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000737440534 600569021 /nfs/dbraw/zinc/56/90/21/600569021.db2.gz BXGWKVGGUMTGRJ-JOCHJYFZSA-N 0 1 392.503 2.434 20 30 GEEDMN C[N@@H+](CCN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000737440534 600569023 /nfs/dbraw/zinc/56/90/23/600569023.db2.gz BXGWKVGGUMTGRJ-JOCHJYFZSA-N 0 1 392.503 2.434 20 30 GEEDMN COCC[N@H+](CCC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000737794002 600640385 /nfs/dbraw/zinc/64/03/85/600640385.db2.gz HBZMXLBMEXGCBB-UHFFFAOYSA-N 0 1 379.482 2.250 20 30 GEEDMN COCC[N@@H+](CCC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000737794002 600640388 /nfs/dbraw/zinc/64/03/88/600640388.db2.gz HBZMXLBMEXGCBB-UHFFFAOYSA-N 0 1 379.482 2.250 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)[O-])c1C#N ZINC000818758862 601114714 /nfs/dbraw/zinc/11/47/14/601114714.db2.gz XSWBZPUADAIMDV-KRWDZBQOSA-N 0 1 384.436 2.496 20 30 GEEDMN CN(C[C@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1)C(=O)[O-] ZINC000739666171 602529719 /nfs/dbraw/zinc/52/97/19/602529719.db2.gz SNSVCCYIWPGJIJ-UKRRQHHQSA-N 0 1 379.420 2.155 20 30 GEEDMN CCOCC[C@@H](O)CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000444681089 649951467 /nfs/dbraw/zinc/95/14/67/649951467.db2.gz SJRPGOOXJYXQOH-MSOLQXFVSA-N 0 1 396.329 2.419 20 30 GEEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000833628170 605199046 /nfs/dbraw/zinc/19/90/46/605199046.db2.gz CKKXSBNIXBSUPU-INIZCTEOSA-N 0 1 382.464 2.218 20 30 GEEDMN C=CCOc1ccc(/C=C\C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000833378202 605276125 /nfs/dbraw/zinc/27/61/25/605276125.db2.gz ZINKQCQJGWYAOH-IOBAAEILSA-N 0 1 388.464 2.281 20 30 GEEDMN CN(C)c1ccc(C(N)=NOCc2cn3ccccc3c2-c2nn[nH]n2)cc1 ZINC000821589323 606176982 /nfs/dbraw/zinc/17/69/82/606176982.db2.gz JBCPLSCETDQGOK-UHFFFAOYSA-N 0 1 376.424 2.023 20 30 GEEDMN C=C[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000819729806 606815014 /nfs/dbraw/zinc/81/50/14/606815014.db2.gz NCJRPYMOQVSCGE-LLVKDONJSA-N 0 1 383.412 2.022 20 30 GEEDMN N#Cc1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)ccc1F ZINC000822818573 606964115 /nfs/dbraw/zinc/96/41/15/606964115.db2.gz CQULLNCLEGVASL-UHFFFAOYSA-N 0 1 394.414 2.065 20 30 GEEDMN COc1cc(O)c(C=NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1OC ZINC000826181365 608534301 /nfs/dbraw/zinc/53/43/01/608534301.db2.gz WGCNMKVUZOADFV-UHFFFAOYSA-N 0 1 375.776 2.084 20 30 GEEDMN CC(C)CN1CCO[C@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448604418 650017725 /nfs/dbraw/zinc/01/77/25/650017725.db2.gz MWCINTBUTUVYOC-CQSZACIVSA-N 0 1 380.286 2.407 20 30 GEEDMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000448606157 650017770 /nfs/dbraw/zinc/01/77/70/650017770.db2.gz SXNSBVKMGSGKTF-OAHLLOKOSA-N 0 1 380.286 2.407 20 30 GEEDMN CCN1CCN([C@H]2CCN(C(=O)c3cccc(C#N)c3Br)C2)CC1 ZINC000448922429 650025671 /nfs/dbraw/zinc/02/56/71/650025671.db2.gz CHGMNEALYNKKRB-HNNXBMFYSA-N 0 1 391.313 2.173 20 30 GEEDMN N#Cc1ccc(OCC(=O)NC2(c3nnc[nH]3)CCC2)cc1Br ZINC000451075167 650083895 /nfs/dbraw/zinc/08/38/95/650083895.db2.gz URUZGXPSRUQSBU-UHFFFAOYSA-N 0 1 376.214 2.013 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NC2(CF)CCOCC2)cc1Br ZINC000451736783 650137560 /nfs/dbraw/zinc/13/75/60/650137560.db2.gz LXGPPXONGKWYHK-UHFFFAOYSA-N 0 1 395.225 2.257 20 30 GEEDMN CC(C)c1nc(CNC(=O)COc2cccc(Br)c2C#N)n[nH]1 ZINC000452425234 650185566 /nfs/dbraw/zinc/18/55/66/650185566.db2.gz RPGLXGYBBFJQOD-UHFFFAOYSA-N 0 1 378.230 2.257 20 30 GEEDMN CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1C ZINC000504059720 650426621 /nfs/dbraw/zinc/42/66/21/650426621.db2.gz LTHNYBQVEFIRRF-UHFFFAOYSA-N 0 1 399.881 2.229 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CN(C)CCN1C ZINC000459648851 650429776 /nfs/dbraw/zinc/42/97/76/650429776.db2.gz ATUNUCPUNKCZFH-AWEZNQCLSA-N 0 1 397.317 2.381 20 30 GEEDMN C=CCNC(=O)NC(=O)CN(CC)CCOc1ccc(Br)cc1 ZINC000525122515 650649778 /nfs/dbraw/zinc/64/97/78/650649778.db2.gz IVUQZASJTAJPEL-UHFFFAOYSA-N 0 1 384.274 2.162 20 30 GEEDMN C[C@]1(Br)C[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000528919592 650699114 /nfs/dbraw/zinc/69/91/14/650699114.db2.gz PVQYRFDLQZWDBJ-GDLVEWKHSA-N 0 1 379.210 2.279 20 30 GEEDMN C#CCNC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916578 643118240 /nfs/dbraw/zinc/11/82/40/643118240.db2.gz OSPNWIYPSPZOCW-ZDUSSCGKSA-N 0 1 392.297 2.238 20 30 GEEDMN C=CC1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000111259744 643330792 /nfs/dbraw/zinc/33/07/92/643330792.db2.gz ZEPXTKLHRLSJJV-UHFFFAOYSA-N 0 1 380.286 2.402 20 30 GEEDMN CC(C)NC(=O)C(C#N)C(=O)CSc1nncn1-c1cccc(Cl)c1 ZINC000130767847 643849953 /nfs/dbraw/zinc/84/99/53/643849953.db2.gz REYOTYSRNPESFX-CYBMUJFWSA-N 0 1 377.857 2.246 20 30 GEEDMN COC(=O)[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc(Cl)cc1Cl ZINC000166479100 644276651 /nfs/dbraw/zinc/27/66/51/644276651.db2.gz PTEOEIINIWJQEM-LBPRGKRZSA-N 0 1 377.249 2.431 20 30 GEEDMN CN1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000278602589 646530027 /nfs/dbraw/zinc/53/00/27/646530027.db2.gz BEDPBQYARYFOLZ-IAQYHMDHSA-N 0 1 384.299 2.035 20 30 GEEDMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2Br)n[nH]1 ZINC000419672404 648361724 /nfs/dbraw/zinc/36/17/24/648361724.db2.gz HLSYUPVAUBCCNT-VIFPVBQESA-N 0 1 390.241 2.038 20 30 GEEDMN Cc1c(NC(=O)C(=O)N[C@H]2CCCN(C)[C@H]2C)ccc(Br)c1C#N ZINC000425740699 648692827 /nfs/dbraw/zinc/69/28/27/648692827.db2.gz ISIXNQMEYDXNKB-NHYWBVRUSA-N 0 1 393.285 2.167 20 30 GEEDMN Cc1cc(S(=O)(=O)Nc2ccccc2N(C)S(C)(=O)=O)ccc1C#N ZINC000435723544 648786579 /nfs/dbraw/zinc/78/65/79/648786579.db2.gz PNGAHQMYXXVKPH-UHFFFAOYSA-N 0 1 379.463 2.063 20 30 GEEDMN C=CCN(CC=C)[C@H](CNS(=O)(=O)c1cnc(NC(C)=O)s1)C(C)C ZINC000557833681 651274590 /nfs/dbraw/zinc/27/45/90/651274590.db2.gz UFQXVAQBPLJXCH-CQSZACIVSA-N 0 1 386.543 2.078 20 30 GEEDMN C[C@H]1CCCN(CCNS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000559639894 651299884 /nfs/dbraw/zinc/29/98/84/651299884.db2.gz QQZQMNMISKVCCP-LBPRGKRZSA-N 0 1 386.315 2.331 20 30 GEEDMN CCN(CC)S(=O)(=O)c1ccc(CCNCc2nc(C#N)cs2)s1 ZINC000564415409 651565785 /nfs/dbraw/zinc/56/57/85/651565785.db2.gz OMLVAGABBABUDB-UHFFFAOYSA-N 0 1 384.552 2.439 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000729811702 651580366 /nfs/dbraw/zinc/58/03/66/651580366.db2.gz AVEMPGJEJIQHBB-GFCCVEGCSA-N 0 1 399.310 2.223 20 30 GEEDMN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)[C@@H](C(C)C)N(C)C)n1 ZINC000730275585 651594110 /nfs/dbraw/zinc/59/41/10/651594110.db2.gz NQJUNCFSJSXGFX-CYBMUJFWSA-N 0 1 380.543 2.325 20 30 GEEDMN CC(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000567435616 651624791 /nfs/dbraw/zinc/62/47/91/651624791.db2.gz QNNHDLDGAKUUKP-UHFFFAOYSA-N 0 1 379.463 2.077 20 30 GEEDMN N#Cc1ccc(NCCNC(=O)c2n[nH]c3ccc(Br)cc32)nc1 ZINC000732056929 651643393 /nfs/dbraw/zinc/64/33/93/651643393.db2.gz GABUREFYXBTJPE-UHFFFAOYSA-N 0 1 385.225 2.434 20 30 GEEDMN C#CCN(CCC(=O)NC(=O)NC)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195044 651693343 /nfs/dbraw/zinc/69/33/43/651693343.db2.gz BQPAESNVZPNMJZ-AWEZNQCLSA-N 0 1 394.269 2.054 20 30 GEEDMN C#CCNC(=O)CN1CCN(CC/C=C/c2ccc(Br)cc2)CC1 ZINC000735309170 651775963 /nfs/dbraw/zinc/77/59/63/651775963.db2.gz HWWVIKATIATMCF-HWKANZROSA-N 0 1 390.325 2.219 20 30 GEEDMN Cc1csc(C(C#N)C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000613286832 651780733 /nfs/dbraw/zinc/78/07/33/651780733.db2.gz ZEGUILWAURUCCA-GFCCVEGCSA-N 0 1 397.503 2.024 20 30 GEEDMN C#CCCN1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000742397207 651987360 /nfs/dbraw/zinc/98/73/60/651987360.db2.gz CZMKLXPLRKZUHU-UHFFFAOYSA-N 0 1 392.244 2.380 20 30 GEEDMN C#CCN1CCN(C(=O)CNC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000748812737 652217726 /nfs/dbraw/zinc/21/77/26/652217726.db2.gz FDCMTWZXILCJLF-UHFFFAOYSA-N 0 1 390.325 2.195 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br ZINC000754380989 652434709 /nfs/dbraw/zinc/43/47/09/652434709.db2.gz YKKUGHSXOVJNHJ-SNVBAGLBSA-N 0 1 398.261 2.066 20 30 GEEDMN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1nc(C)c(Br)s1 ZINC000583300739 652480412 /nfs/dbraw/zinc/48/04/12/652480412.db2.gz KUXJBPYUSVFWTC-UWVGGRQHSA-N 0 1 381.317 2.474 20 30 GEEDMN COc1c(NS(=O)(=O)c2cccc(CC#N)c2)cc(Cl)cc1C(N)=O ZINC000585733230 652535382 /nfs/dbraw/zinc/53/53/82/652535382.db2.gz NISOGTHCQSFMFY-UHFFFAOYSA-N 0 1 379.825 2.314 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 ZINC000759714300 652584478 /nfs/dbraw/zinc/58/44/78/652584478.db2.gz YZLGKFXFTPRVEP-CYBMUJFWSA-N 0 1 377.447 2.117 20 30 GEEDMN CC(C)(N)c1noc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)n1 ZINC000592158467 652589166 /nfs/dbraw/zinc/58/91/66/652589166.db2.gz DEIDGNMBPASNBI-UHFFFAOYSA-N 0 1 388.225 2.261 20 30 GEEDMN COCCN1CCN(C(=O)Cc2ccc(Br)cc2C#N)C(C)(C)C1 ZINC000593339768 652617389 /nfs/dbraw/zinc/61/73/89/652617389.db2.gz JVMLGGIJTFXCHD-UHFFFAOYSA-N 0 1 394.313 2.432 20 30 GEEDMN CC(C)CN1CCO[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593390493 652619372 /nfs/dbraw/zinc/61/93/72/652619372.db2.gz DYTMSAIGVCLNNU-KRWDZBQOSA-N 0 1 394.313 2.336 20 30 GEEDMN Cn1ncc2c1ncnc2NN=Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000767775531 652949779 /nfs/dbraw/zinc/94/97/79/652949779.db2.gz NBPAHICOEZRSED-UHFFFAOYSA-N 0 1 376.174 2.480 20 30 GEEDMN Cn1ncc2c1nc[nH+]c2[N-]N=Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000767775531 652949782 /nfs/dbraw/zinc/94/97/82/652949782.db2.gz NBPAHICOEZRSED-UHFFFAOYSA-N 0 1 376.174 2.480 20 30 GEEDMN C#CCCN1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000767793647 652950298 /nfs/dbraw/zinc/95/02/98/652950298.db2.gz ARFVATLNQCHLIY-UHFFFAOYSA-N 0 1 388.265 2.072 20 30 GEEDMN Cc1ccc(Br)c2ncc(C#N)c(NC[C@@H]3CN(C)CCN3C)c12 ZINC000601115799 652955166 /nfs/dbraw/zinc/95/51/66/652955166.db2.gz KUKGMELLRZXMAI-CQSZACIVSA-N 0 1 388.313 2.257 20 30 GEEDMN Cc1cc(C[C@H](C)NS(=O)(=O)c2cc(Br)ccc2C#N)n[nH]1 ZINC000601425687 653093999 /nfs/dbraw/zinc/09/39/99/653093999.db2.gz GZKBZAWBHFRDFC-JTQLQIEISA-N 0 1 383.271 2.262 20 30 GEEDMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2cc(Br)ccc2C#N)n[nH]1 ZINC000601425688 653094142 /nfs/dbraw/zinc/09/41/42/653094142.db2.gz GZKBZAWBHFRDFC-SNVBAGLBSA-N 0 1 383.271 2.262 20 30 GEEDMN Cn1nnnc1CC/N=C/c1cc(Br)cc(Br)c1O ZINC000771521214 653114214 /nfs/dbraw/zinc/11/42/14/653114214.db2.gz RSRNBRDYMBVJAU-MKMNVTDBSA-N 0 1 389.051 2.102 20 30 GEEDMN C#C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000773057215 653177500 /nfs/dbraw/zinc/17/75/00/653177500.db2.gz PLKRDAMZWLNDFS-CMPLNLGQSA-N 0 1 379.221 2.361 20 30 GEEDMN CC(N=Nc1ccccc1S(N)(=O)=O)c1cc2c(s1)SCC(=O)N2 ZINC000773114243 653182017 /nfs/dbraw/zinc/18/20/17/653182017.db2.gz UCODQHBZGVOXAY-UHFFFAOYSA-N 0 1 382.492 2.276 20 30 GEEDMN C[C@H](CCC#N)CN1CCN(c2ncc(I)cn2)CC1 ZINC000602732274 653203372 /nfs/dbraw/zinc/20/33/72/653203372.db2.gz GLBRELRGXZXYII-GFCCVEGCSA-N 0 1 385.253 2.143 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1n[nH]c(C)n1 ZINC000770638460 653218841 /nfs/dbraw/zinc/21/88/41/653218841.db2.gz ZZKMSRHMBIQOMS-UHFFFAOYSA-N 0 1 395.213 2.268 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1cnc(-c2ccccc2Br)s1 ZINC000876802665 653449188 /nfs/dbraw/zinc/44/91/88/653449188.db2.gz RMQHEFRMNUYLIX-CABZTGNLSA-N 0 1 377.267 2.414 20 30 GEEDMN C[C@H]1C[NH+]=C(NN=Cc2cc(Br)cc(Br)c2[O-])N1 ZINC000779802110 653611016 /nfs/dbraw/zinc/61/10/16/653611016.db2.gz BFTDZYJGWNXUBR-LURJTMIESA-N 0 1 376.052 2.188 20 30 GEEDMN COc1cccc(N=NCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)n1 ZINC000779819302 653611747 /nfs/dbraw/zinc/61/17/47/653611747.db2.gz MLBKURYCZUYNMS-NSHDSACASA-N 0 1 383.861 2.054 20 30 GEEDMN C[C@]1(Br)C[C@H]1C(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000860694782 653634334 /nfs/dbraw/zinc/63/43/34/653634334.db2.gz PCOGKJOLOPPQKD-HUBLWGQQSA-N 0 1 380.198 2.093 20 30 GEEDMN Cn1ncc(C=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1Cl ZINC000814760593 653638891 /nfs/dbraw/zinc/63/88/91/653638891.db2.gz WUNPVCIBAREQCQ-UHFFFAOYSA-N 0 1 382.877 2.089 20 30 GEEDMN Cc1cc(Br)cn2c(/C=C/C(=O)c3cnc([O-])n(C)c3=O)c[nH+]c12 ZINC000783708698 653683054 /nfs/dbraw/zinc/68/30/54/653683054.db2.gz DCGIJCJHIKTBPF-ONEGZZNKSA-N 0 1 389.209 2.101 20 30 GEEDMN CCOc1cc(Br)c(NC(=O)N[C@H]2CNC[C@H]2C#N)cc1OCC ZINC000841082422 653706117 /nfs/dbraw/zinc/70/61/17/653706117.db2.gz KXZDDWYEBVJUNY-MFKMUULPSA-N 0 1 397.273 2.480 20 30 GEEDMN CCOCCOc1ccc(Br)cc1NC(=O)N[C@H]1CNC[C@H]1C#N ZINC000841176676 653709117 /nfs/dbraw/zinc/70/91/17/653709117.db2.gz MPUZNQNZVVRDME-RISCZKNCSA-N 0 1 397.273 2.097 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241422 653712073 /nfs/dbraw/zinc/71/20/73/653712073.db2.gz NDUSTDQUPJJFJL-XPUUQOCRSA-N 0 1 378.152 2.096 20 30 GEEDMN N#Cc1ccc(CNC[C@@H](O)COc2cc(F)cc(Br)c2)nc1 ZINC000819312168 653749064 /nfs/dbraw/zinc/74/90/64/653749064.db2.gz PEZUXVDKEQCIKD-OAHLLOKOSA-N 0 1 380.217 2.384 20 30 GEEDMN N#Cc1ccc(Br)c(OCC(=O)CCNC(=O)C(F)(F)F)c1 ZINC000865376705 653763271 /nfs/dbraw/zinc/76/32/71/653763271.db2.gz ZUXMADJEBVPVJK-UHFFFAOYSA-N 0 1 379.132 2.337 20 30 GEEDMN C#C[C@H](NC(=O)N1CCN(CCO)C(C)(C)C1)c1ccc(Br)cc1 ZINC000820611651 653777957 /nfs/dbraw/zinc/77/79/57/653777957.db2.gz MTWCJSNZKHBDGZ-INIZCTEOSA-N 0 1 394.313 2.222 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)c2[nH]nc3ccccc32)c(=O)c1C#N ZINC000791173820 653804817 /nfs/dbraw/zinc/80/48/17/653804817.db2.gz XHUWKGKZAXPHSV-UHFFFAOYSA-N 0 1 386.209 2.360 20 30 GEEDMN COc1cccc(NC(=O)C(C#N)C(=O)c2cnn(C)c2Br)c1 ZINC000791771568 653823419 /nfs/dbraw/zinc/82/34/19/653823419.db2.gz OHILSJFMYHPAJQ-LLVKDONJSA-N 0 1 377.198 2.152 20 30 GEEDMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(Br)c(C#N)n2)C[C@H](C)O1 ZINC000883077800 653824827 /nfs/dbraw/zinc/82/48/27/653824827.db2.gz WLBZJIAXIMPWBX-TXEJJXNPSA-N 0 1 396.289 2.337 20 30 GEEDMN O=S1(=O)CCC(NN=Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000884446494 653877038 /nfs/dbraw/zinc/87/70/38/653877038.db2.gz RRYLZDICXPSFSY-UHFFFAOYSA-N 0 1 381.679 2.309 20 30 GEEDMN CC[C@H](CC#N)NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 ZINC000867108317 653879960 /nfs/dbraw/zinc/87/99/60/653879960.db2.gz MYTOMGSEGMKLDC-BIBXISHDSA-N 0 1 394.316 2.432 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)CN(C)CC(C)(C)C)c(=O)c1C#N ZINC000897598047 653929431 /nfs/dbraw/zinc/92/94/31/653929431.db2.gz GBAPZRFKRMILDK-UHFFFAOYSA-N 0 1 383.290 2.147 20 30 GEEDMN C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(Br)o1)C(=O)OCC ZINC000867592326 653958153 /nfs/dbraw/zinc/95/81/53/653958153.db2.gz YQGIFMNJFGQMBJ-MRVPVSSYSA-N 0 1 386.651 2.395 20 30 GEEDMN CN1CCN(c2ccc(CN=Nc3ncc(Br)cn3)cc2)CC1 ZINC000848421638 653975193 /nfs/dbraw/zinc/97/51/93/653975193.db2.gz ZDFRRUBSRAHBIY-UHFFFAOYSA-N 0 1 375.274 2.437 20 30 GEEDMN C#CCN(C(=O)c1cc(I)ccc1[O-])C1CC[NH+](C)CC1 ZINC000886578881 653992505 /nfs/dbraw/zinc/99/25/05/653992505.db2.gz PQQFTQBARHFDCH-UHFFFAOYSA-N 0 1 398.244 2.166 20 30 GEEDMN C=CCC1(O)CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000886768615 653999233 /nfs/dbraw/zinc/99/92/33/653999233.db2.gz DVCLNFLGGLSPAN-UHFFFAOYSA-N 0 1 378.270 2.360 20 30 GEEDMN N#Cc1ccc([C@@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CCO2)cc1 ZINC000887731158 654046917 /nfs/dbraw/zinc/04/69/17/654046917.db2.gz KGBINNATHCXENS-LBPRGKRZSA-N 0 1 378.504 2.391 20 30 GEEDMN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916483569 654096927 /nfs/dbraw/zinc/09/69/27/654096927.db2.gz PPZPJUXRMNODKD-FVLHQSPCSA-N 0 1 398.428 2.459 20 30 GEEDMN C#CCN1CCC(NC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC000830163475 654102659 /nfs/dbraw/zinc/10/26/59/654102659.db2.gz YTKRLKLDALSTKR-KRWDZBQOSA-N 0 1 383.261 2.010 20 30 GEEDMN C#CC[C@@H](CCOC)NS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000918463125 654151618 /nfs/dbraw/zinc/15/16/18/654151618.db2.gz NSVWMGJFEIVCNM-FNODVLLQSA-N 0 1 398.428 2.296 20 30 GEEDMN C=C(Cl)C[C@H](NS(=O)(=O)c1occc1Br)C(=O)OCC ZINC000918544751 654154384 /nfs/dbraw/zinc/15/43/84/654154384.db2.gz USXAANLABNQDGP-VIFPVBQESA-N 0 1 386.651 2.395 20 30 GEEDMN CCS(=O)(CC)=NS(=O)(=O)Nc1ccc(C#N)c(Br)c1 ZINC000903122640 654218028 /nfs/dbraw/zinc/21/80/28/654218028.db2.gz CAMVDDLSJMDCIO-UHFFFAOYSA-N 0 1 380.289 2.485 20 30 GEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000852101238 654218075 /nfs/dbraw/zinc/21/80/75/654218075.db2.gz OWFRWVXDRUZWGT-SJKOYZFVSA-N 0 1 385.917 2.309 20 30 GEEDMN O=C(CNc1cc(F)cc(CNC(=O)C(F)(F)F)c1)NCC(F)(F)F ZINC000871848169 654267935 /nfs/dbraw/zinc/26/79/35/654267935.db2.gz CTPUWFGBPOMKOI-UHFFFAOYSA-N 0 1 375.244 2.095 20 30 GEEDMN N#CCc1ccc(OC[C@@H](O)CNCc2ccc(Br)cn2)cc1 ZINC000872234277 654318395 /nfs/dbraw/zinc/31/83/95/654318395.db2.gz NOMHGNZQCRTUHC-INIZCTEOSA-N 0 1 376.254 2.440 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000834490273 654329767 /nfs/dbraw/zinc/32/97/67/654329767.db2.gz UBTKKWCWPBXYLD-BXKDBHETSA-N 0 1 378.219 2.417 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000834490301 654329849 /nfs/dbraw/zinc/32/98/49/654329849.db2.gz UDFXVDYOZJSUBU-HTQZYQBOSA-N 0 1 383.296 2.475 20 30 GEEDMN Cc1nn(C)c(N2CCN(c3ccnc(C)c3Br)CC2)c1C#N ZINC000893426381 654400480 /nfs/dbraw/zinc/40/04/80/654400480.db2.gz GUDCALKESLWTRQ-UHFFFAOYSA-N 0 1 375.274 2.393 20 30 GEEDMN C=CCN(Cc1cc(Br)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000893968720 654434853 /nfs/dbraw/zinc/43/48/53/654434853.db2.gz LBQLJLYTBXPUJJ-LBPRGKRZSA-N 0 1 378.263 2.469 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c1C(F)(F)F ZINC000906700450 654462076 /nfs/dbraw/zinc/46/20/76/654462076.db2.gz DGXWHTFJBSNREF-UHFFFAOYSA-N 0 1 376.276 2.395 20 30 GEEDMN CN1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907328962 654532583 /nfs/dbraw/zinc/53/25/83/654532583.db2.gz JXCXCQATTBKULF-LSDHHAIUSA-N 0 1 384.299 2.178 20 30 GEEDMN C#CCN1CCC(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000928649827 654654422 /nfs/dbraw/zinc/65/44/22/654654422.db2.gz SIBXPQBMVGRJCL-UHFFFAOYSA-N 0 1 380.242 2.114 20 30 GEEDMN C#CCN1CCC(NC(=O)/C=C\c2cc(Br)c(O)c(OC)c2)CC1 ZINC000928657348 654654656 /nfs/dbraw/zinc/65/46/56/654654656.db2.gz YGNWMNPFZXUWNR-PLNGDYQASA-N 0 1 393.281 2.390 20 30 GEEDMN CON1CC[C@H](N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932942634 654795025 /nfs/dbraw/zinc/79/50/25/654795025.db2.gz ZWJJQHFGFLURJW-RNJXMRFFSA-N 0 1 382.251 2.252 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(C#N)c[nH]c5n4)C3)O2)CC1 ZINC001164889847 721417811 /nfs/dbraw/zinc/41/78/11/721417811.db2.gz RQEVOBHHEUFGNS-XMSQKQJNSA-N 0 1 394.523 2.200 20 30 GEEDMN CC(C)c1ccc(C#N)c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164796658 721509535 /nfs/dbraw/zinc/50/95/35/721509535.db2.gz VMLOCNAXPLTKCA-UHFFFAOYSA-N 0 1 379.512 2.041 20 30 GEEDMN N#Cc1c(Cl)ncnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984768 722106086 /nfs/dbraw/zinc/10/60/86/722106086.db2.gz UXNNFDOZQFBFSH-RDJZCZTQSA-N 0 1 384.871 2.124 20 30 GEEDMN N#Cc1c(Cl)ncnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984769 722106222 /nfs/dbraw/zinc/10/62/22/722106222.db2.gz UXNNFDOZQFBFSH-WBVHZDCISA-N 0 1 384.871 2.124 20 30 GEEDMN N#Cc1cc(Cl)nnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984355 722107067 /nfs/dbraw/zinc/10/70/67/722107067.db2.gz SSBLVPGNVXVCKC-DOTOQJQBSA-N 0 1 384.871 2.124 20 30 GEEDMN CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(Br)c1O ZINC000538257148 531466853 /nfs/dbraw/zinc/46/68/53/531466853.db2.gz GUMOXELJSRYXIH-UHFFFAOYSA-N 0 1 378.230 2.036 20 30 GEEDMN C=CCc1cc(CNCCNS(=O)(=O)c2cccs2)cc(OC)c1O ZINC000122189603 532061715 /nfs/dbraw/zinc/06/17/15/532061715.db2.gz UQALTXAFNCKQDR-UHFFFAOYSA-N 0 1 382.507 2.259 20 30 GEEDMN Cn1cc(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)c(C(F)(F)F)n1 ZINC000124841019 532130847 /nfs/dbraw/zinc/13/08/47/532130847.db2.gz WPHKLNHNYQPTPE-UHFFFAOYSA-N 0 1 380.298 2.067 20 30 GEEDMN N#C[C@@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CC1 ZINC000179919042 532250904 /nfs/dbraw/zinc/25/09/04/532250904.db2.gz HODDOUWPJXTEPV-CYBMUJFWSA-N 0 1 393.184 2.165 20 30 GEEDMN C#CCOc1ccc([C@@H](C)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181640894 532304072 /nfs/dbraw/zinc/30/40/72/532304072.db2.gz ZAADNBOWWFFORI-GDBMZVCRSA-N 0 1 379.503 2.246 20 30 GEEDMN Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2CS(C)(=O)=O)c1C#N ZINC000137658399 532290435 /nfs/dbraw/zinc/29/04/35/532290435.db2.gz SZLXXMZTBKEQNQ-UHFFFAOYSA-N 0 1 382.438 2.351 20 30 GEEDMN C#CCN1CCC(C(=O)N(CCOC)c2cccc(Br)n2)CC1 ZINC000187225230 532343561 /nfs/dbraw/zinc/34/35/61/532343561.db2.gz JVACZTVWFANRTF-UHFFFAOYSA-N 0 1 380.286 2.169 20 30 GEEDMN CN1C[C@@H]2CCCN(S(=O)(=O)c3cccc(Br)c3C#N)[C@@H]2C1 ZINC000425214590 532375055 /nfs/dbraw/zinc/37/50/55/532375055.db2.gz JUKOPBJPMMGWOY-SMDDNHRTSA-N 0 1 384.299 2.035 20 30 GEEDMN CN1CCN(c2ncccc2CNc2ncc(Br)cc2C#N)CC1 ZINC000295505149 532453957 /nfs/dbraw/zinc/45/39/57/532453957.db2.gz KYJWGAIWEJNADO-UHFFFAOYSA-N 0 1 387.285 2.475 20 30 GEEDMN C[C@H]1CN(CC2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000373818101 532472532 /nfs/dbraw/zinc/47/25/32/532472532.db2.gz DSJJDRJDGCIAEA-KBPBESRZSA-N 0 1 383.539 2.130 20 30 GEEDMN C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000429908679 532484659 /nfs/dbraw/zinc/48/46/59/532484659.db2.gz MEPRAOLXJPHRQI-UHFFFAOYSA-N 0 1 380.813 2.452 20 30 GEEDMN CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000595075131 532542858 /nfs/dbraw/zinc/54/28/58/532542858.db2.gz WILPCGJEDZWOHQ-ZDUSSCGKSA-N 0 1 393.285 2.248 20 30 GEEDMN C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000376573127 532619003 /nfs/dbraw/zinc/61/90/03/532619003.db2.gz GCOBTEDTNXVKDC-KMFMINBZSA-N 0 1 384.933 2.259 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000376314309 532605451 /nfs/dbraw/zinc/60/54/51/532605451.db2.gz BEZFDCFHQZDAGQ-SNVBAGLBSA-N 0 1 396.270 2.007 20 30 GEEDMN C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000377104907 532642205 /nfs/dbraw/zinc/64/22/05/532642205.db2.gz LNAHZUYZTLWSDP-UHFFFAOYSA-N 0 1 380.813 2.452 20 30 GEEDMN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)C(C)C#N ZINC000534758604 532672303 /nfs/dbraw/zinc/67/23/03/532672303.db2.gz OIJDNSZMMZDFJT-NOZJJQNGSA-N 0 1 378.226 2.290 20 30 GEEDMN CN(C)[C@]1(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCSC1 ZINC000267157640 532735558 /nfs/dbraw/zinc/73/55/58/532735558.db2.gz IUMFVGVBIWUJCU-AWEZNQCLSA-N 0 1 393.456 2.293 20 30 GEEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc(I)cc2)c1 ZINC000311602221 532778420 /nfs/dbraw/zinc/77/84/20/532778420.db2.gz TXZAJZAROCBYIX-UHFFFAOYSA-N 0 1 385.186 2.359 20 30 GEEDMN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC000542046631 532764111 /nfs/dbraw/zinc/76/41/11/532764111.db2.gz IYVAKCKSYMKSAU-LFPIHBKWSA-N 0 1 376.503 2.420 20 30 GEEDMN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC000549636673 532795924 /nfs/dbraw/zinc/79/59/24/532795924.db2.gz RQVAUJOAFRMOBH-RHSMWYFYSA-N 0 1 384.571 2.327 20 30 GEEDMN O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCCN1C1CC1 ZINC000329354206 532806530 /nfs/dbraw/zinc/80/65/30/532806530.db2.gz YIHLIUUHFHTHCD-HIFRSBDPSA-N 0 1 383.539 2.485 20 30 GEEDMN O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329499835 532807918 /nfs/dbraw/zinc/80/79/18/532807918.db2.gz YDBQMULOMAIDEW-ZDUSSCGKSA-N 0 1 396.285 2.414 20 30 GEEDMN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCS(=O)(=O)C1 ZINC000329576814 532808693 /nfs/dbraw/zinc/80/86/93/532808693.db2.gz OJYAALYBYVPLSO-LBPRGKRZSA-N 0 1 381.523 2.453 20 30 GEEDMN CCc1nc([C@@H](C)NS(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000287830839 532811202 /nfs/dbraw/zinc/81/12/02/532811202.db2.gz NQEBAARXEPJNLB-MRVPVSSYSA-N 0 1 384.259 2.041 20 30 GEEDMN COc1ccc(Cl)cc1-c1n[nH]c(SC[C@@H](O)CN(C)CCC#N)n1 ZINC000414103531 532819284 /nfs/dbraw/zinc/81/92/84/532819284.db2.gz XBQSLWGARLAUBW-LBPRGKRZSA-N 0 1 381.889 2.432 20 30 GEEDMN CC(C)N1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000331231750 532836440 /nfs/dbraw/zinc/83/64/40/532836440.db2.gz QQZCNCFPOBWFKA-AWEZNQCLSA-N 0 1 386.315 2.472 20 30 GEEDMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000288760910 532837676 /nfs/dbraw/zinc/83/76/76/532837676.db2.gz KXETVQRXWAYFJB-ZWNOBZJWSA-N 0 1 391.269 2.001 20 30 GEEDMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000292964755 532920579 /nfs/dbraw/zinc/92/05/79/532920579.db2.gz GGRWQUHVTFROCG-UHFFFAOYSA-N 0 1 390.241 2.040 20 30 GEEDMN CC[NH+](CC)CC#C[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821181271 607322581 /nfs/dbraw/zinc/32/25/81/607322581.db2.gz LCKMODRQTXVTFO-AWEZNQCLSA-N 0 1 396.451 2.449 20 30 GEEDMN COc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000737922407 600563729 /nfs/dbraw/zinc/56/37/29/600563729.db2.gz MPBBMKAWZCSQJP-LJQANCHMSA-N 0 1 379.416 2.151 20 30 GEEDMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1C[C@H](O)c1ccccc1 ZINC000736808044 600568314 /nfs/dbraw/zinc/56/83/14/600568314.db2.gz NDYHXMGAGMMBJG-TYCQWZJGSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736808044 600568317 /nfs/dbraw/zinc/56/83/17/600568317.db2.gz NDYHXMGAGMMBJG-TYCQWZJGSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736808044 600568320 /nfs/dbraw/zinc/56/83/20/600568320.db2.gz NDYHXMGAGMMBJG-TYCQWZJGSA-N 0 1 379.460 2.424 20 30 GEEDMN CCN1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cn2)CC1 ZINC000737123484 600593603 /nfs/dbraw/zinc/59/36/03/600593603.db2.gz VGXVXOZMQHIFBC-FQEVSTJZSA-N 0 1 379.464 2.011 20 30 GEEDMN C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000825702700 601100550 /nfs/dbraw/zinc/10/05/50/601100550.db2.gz VTTZNDSMOAARDJ-INIZCTEOSA-N 0 1 398.463 2.058 20 30 GEEDMN C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000738598336 602480098 /nfs/dbraw/zinc/48/00/98/602480098.db2.gz YCUSZEYVVVJPDJ-NQIIRXRSSA-N 0 1 384.480 2.439 20 30 GEEDMN C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000738598336 602480100 /nfs/dbraw/zinc/48/01/00/602480100.db2.gz YCUSZEYVVVJPDJ-NQIIRXRSSA-N 0 1 384.480 2.439 20 30 GEEDMN N#CCn1c(=O)c2ccccc2nc1C[N@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000831109067 603555369 /nfs/dbraw/zinc/55/53/69/603555369.db2.gz AUCRRNPUPNJPLO-UHFFFAOYSA-N 0 1 381.436 2.027 20 30 GEEDMN N#CCn1c(=O)c2ccccc2nc1C[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000831109067 603555371 /nfs/dbraw/zinc/55/53/71/603555371.db2.gz AUCRRNPUPNJPLO-UHFFFAOYSA-N 0 1 381.436 2.027 20 30 GEEDMN COc1cccc(OCC[NH+]2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832573105 604505854 /nfs/dbraw/zinc/50/58/54/604505854.db2.gz QDJZUAGLCVXZPY-NRFANRHFSA-N 0 1 395.459 2.389 20 30 GEEDMN CC1=C(C(=O)[O-])C[C@H](C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)O1 ZINC000833581747 604834527 /nfs/dbraw/zinc/83/45/27/604834527.db2.gz ZICPCSVLWRUNJP-CYBMUJFWSA-N 0 1 384.392 2.076 20 30 GEEDMN N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000833967582 605369916 /nfs/dbraw/zinc/36/99/16/605369916.db2.gz RMSIEDHXAZJLOX-RDJZCZTQSA-N 0 1 385.468 2.208 20 30 GEEDMN C[C@H](N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1cccc(C#N)c1 ZINC000820420240 606309109 /nfs/dbraw/zinc/30/91/09/606309109.db2.gz NVOUFEXPGDJCMA-XHDPSFHLSA-N 0 1 379.449 2.256 20 30 GEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819745483 606888515 /nfs/dbraw/zinc/88/85/15/606888515.db2.gz FYQHXNSGDSJGSA-SFHVURJKSA-N 0 1 380.408 2.497 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000826323077 607886951 /nfs/dbraw/zinc/88/69/51/607886951.db2.gz OVLASBQQAQZJNI-LLVKDONJSA-N 0 1 376.421 2.208 20 30 GEEDMN C#CCCCCCC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823841575 609140572 /nfs/dbraw/zinc/14/05/72/609140572.db2.gz PSLRTXVMMPKGIS-UHFFFAOYSA-N 0 1 380.496 2.485 20 30 GEEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000823915516 609150960 /nfs/dbraw/zinc/15/09/60/609150960.db2.gz YYRZPECFOBKDNX-UHFFFAOYSA-N 0 1 380.364 2.309 20 30 GEEDMN CC[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1C[C@@H](C)O ZINC000450028640 650058630 /nfs/dbraw/zinc/05/86/30/650058630.db2.gz RSQCYJMZVICDDU-TZMCWYRMSA-N 0 1 380.286 2.238 20 30 GEEDMN CC(C)(C)c1nc(CNC(=O)COc2ccc(C#N)c(Br)c2)n[nH]1 ZINC000458020304 650392723 /nfs/dbraw/zinc/39/27/23/650392723.db2.gz FIROQMMGKMICJB-UHFFFAOYSA-N 0 1 392.257 2.432 20 30 GEEDMN CNC(=O)COc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000479485256 650604717 /nfs/dbraw/zinc/60/47/17/650604717.db2.gz FPMPJYANBOICCK-UHFFFAOYSA-N 0 1 379.825 2.137 20 30 GEEDMN N#Cc1ccc([C@@H](NCCCCn2cc(Br)cn2)C(N)=O)cc1 ZINC000481602666 650650260 /nfs/dbraw/zinc/65/02/60/650650260.db2.gz GTTFHFGILFBOSZ-OAHLLOKOSA-N 0 1 376.258 2.114 20 30 GEEDMN CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)cc1C ZINC000481831186 650654267 /nfs/dbraw/zinc/65/42/67/650654267.db2.gz LMLSXEVRUQUUFN-UHFFFAOYSA-N 0 1 399.881 2.229 20 30 GEEDMN C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000486020507 650705184 /nfs/dbraw/zinc/70/51/84/650705184.db2.gz ZBJIXWOZFHCBQD-GFCCVEGCSA-N 0 1 375.431 2.045 20 30 GEEDMN CN1CCC(C#N)(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000531030435 650733559 /nfs/dbraw/zinc/73/35/59/650733559.db2.gz BLSVCKVGIMJBRQ-UHFFFAOYSA-N 0 1 381.230 2.004 20 30 GEEDMN N#C[C@@H]1CSCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000538230842 650832343 /nfs/dbraw/zinc/83/23/43/650832343.db2.gz ZIUIKHCBFUPFBU-SECBINFHSA-N 0 1 398.229 2.249 20 30 GEEDMN COc1ccc(Br)cc1CNCCNC(=O)C1N=CC=CC1=O ZINC000113361174 643394757 /nfs/dbraw/zinc/39/47/57/643394757.db2.gz XRROKZBMNYLTIX-FOCLMDBBSA-N 0 1 380.242 2.074 20 30 GEEDMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000128297087 643797967 /nfs/dbraw/zinc/79/79/67/643797967.db2.gz QNKXPBZSHJUGHM-INIZCTEOSA-N 0 1 388.269 2.124 20 30 GEEDMN COc1cc(Br)ccc1CCC(=O)NC1(C#N)CCN(C)CC1 ZINC000542930248 650895243 /nfs/dbraw/zinc/89/52/43/650895243.db2.gz VBQBZIGSUFZBJT-UHFFFAOYSA-N 0 1 380.286 2.494 20 30 GEEDMN CS(=O)(=O)CC1(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000177601625 644419758 /nfs/dbraw/zinc/41/97/58/644419758.db2.gz JBQKTJGJSVDISD-LLVKDONJSA-N 0 1 386.832 2.341 20 30 GEEDMN CC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1 ZINC000183182976 644984609 /nfs/dbraw/zinc/98/46/09/644984609.db2.gz UWNBIBIDRNFKRS-CVEARBPZSA-N 0 1 378.567 2.284 20 30 GEEDMN N#CC(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccncn1 ZINC000546859631 651011591 /nfs/dbraw/zinc/01/15/91/651011591.db2.gz NCMIBQKLJYJFHR-NSHDSACASA-N 0 1 394.128 2.479 20 30 GEEDMN O=C([C@@H]1NC(=O)C[C@H]1C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000365460699 647670371 /nfs/dbraw/zinc/67/03/71/647670371.db2.gz IEONJDIEUAGZIN-IYSWYEEDSA-N 0 1 386.214 2.397 20 30 GEEDMN N#CCSc1ccccc1NC(=O)CN1CCN([C@H]2CCSC2)CC1 ZINC000370200727 647781598 /nfs/dbraw/zinc/78/15/98/647781598.db2.gz ZUWPHNJNIZUGAX-HNNXBMFYSA-N 0 1 376.551 2.364 20 30 GEEDMN CC(C)N1CC[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416495644 648148514 /nfs/dbraw/zinc/14/85/14/648148514.db2.gz MVOKLMOPFDMHTM-AWEZNQCLSA-N 0 1 386.315 2.424 20 30 GEEDMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CN1C1CC1 ZINC000419677336 648363145 /nfs/dbraw/zinc/36/31/45/648363145.db2.gz NZCOQVAWEPWPJG-CMPLNLGQSA-N 0 1 391.269 2.001 20 30 GEEDMN CCN(CC)CCS(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000565624561 651593846 /nfs/dbraw/zinc/59/38/46/651593846.db2.gz DWMLIADBRDEADH-UHFFFAOYSA-N 0 1 384.933 2.005 20 30 GEEDMN COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)C(C)C#N ZINC000569613828 651720726 /nfs/dbraw/zinc/72/07/26/651720726.db2.gz UUMGBFDVWXFEKG-LKFCYVNXSA-N 0 1 378.226 2.290 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1Cl ZINC000734243301 651740173 /nfs/dbraw/zinc/74/01/73/651740173.db2.gz DOXQECYAHFYVNX-OAHLLOKOSA-N 0 1 383.901 2.133 20 30 GEEDMN Cc1nc(CN2CCN(Cc3cc(C#N)ccc3Br)CC2)n[nH]1 ZINC000617214865 651932541 /nfs/dbraw/zinc/93/25/41/651932541.db2.gz FPZKLJQDXFAPRN-UHFFFAOYSA-N 0 1 375.274 2.065 20 30 GEEDMN Cc1nc(CS(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000619167447 652046158 /nfs/dbraw/zinc/04/61/58/652046158.db2.gz OEVCALGMFLVDBJ-UHFFFAOYSA-N 0 1 378.523 2.217 20 30 GEEDMN C[C@@H]1CCCCN1CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000578428862 652270835 /nfs/dbraw/zinc/27/08/35/652270835.db2.gz LQJBSZQZILONLZ-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000751104737 652323700 /nfs/dbraw/zinc/32/37/00/652323700.db2.gz GJVVMSAFCIKNMU-MRXNPFEDSA-N 0 1 383.901 2.133 20 30 GEEDMN COc1nc(Cl)c(CN=Nc2ccc(S(=O)(=O)NC3CC3)cn2)s1 ZINC000755636504 652471018 /nfs/dbraw/zinc/47/10/18/652471018.db2.gz RPDODVZRXSASPQ-UHFFFAOYSA-N 0 1 387.874 2.087 20 30 GEEDMN N#C[C@H](C(=O)CCNC(=O)c1cc(F)ccc1Br)c1ccncn1 ZINC000760346159 652604564 /nfs/dbraw/zinc/60/45/64/652604564.db2.gz OYLNCDIVIHTMCL-LBPRGKRZSA-N 0 1 391.200 2.375 20 30 GEEDMN C#CCOc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000760361934 652605303 /nfs/dbraw/zinc/60/53/03/652605303.db2.gz DKIKVMRCFWJUKS-UHFFFAOYSA-N 0 1 383.422 2.042 20 30 GEEDMN CC(C)c1n[nH]c(C(N)=O)c1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593738736 652634702 /nfs/dbraw/zinc/63/47/02/652634702.db2.gz YCTRZEMNULSNEO-UHFFFAOYSA-N 0 1 390.241 2.447 20 30 GEEDMN C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[NH+](C)C ZINC000594820324 652688282 /nfs/dbraw/zinc/68/82/82/652688282.db2.gz BFXXBRFENPXUCV-VIFPVBQESA-N 0 1 378.267 2.078 20 30 GEEDMN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000805254690 653107892 /nfs/dbraw/zinc/10/78/92/653107892.db2.gz CRDJGZQWBWHXTB-UHFFFAOYSA-N 0 1 382.800 2.349 20 30 GEEDMN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000771510272 653113647 /nfs/dbraw/zinc/11/36/47/653113647.db2.gz IFFSDSQQNXAJCM-UHFFFAOYSA-N 0 1 382.800 2.349 20 30 GEEDMN Cc1[nH]n(-c2cc(C#N)ccc2Br)c(=O)c1[C@@H]1CCS(=O)(=O)C1 ZINC000601945708 653132103 /nfs/dbraw/zinc/13/21/03/653132103.db2.gz AGSMOMZOXXBACZ-RISCZKNCSA-N 0 1 396.266 2.094 20 30 GEEDMN C#CC(C)(C)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000772690625 653159955 /nfs/dbraw/zinc/15/99/55/653159955.db2.gz UZJNZSTXOAWBNF-UHFFFAOYSA-N 0 1 380.185 2.274 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000774956083 653273424 /nfs/dbraw/zinc/27/34/24/653273424.db2.gz OBYGVKHEUOZLEC-GFCCVEGCSA-N 0 1 386.315 2.026 20 30 GEEDMN Cn1cc(C=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c(Cl)n1 ZINC000857207355 653298532 /nfs/dbraw/zinc/29/85/32/653298532.db2.gz FFGFEZTWOXCNEW-UHFFFAOYSA-N 0 1 382.877 2.089 20 30 GEEDMN C#C[C@H](NC(=O)NCCN1CCCOCC1)c1ccc(Br)cc1 ZINC000836475086 653355047 /nfs/dbraw/zinc/35/50/47/653355047.db2.gz XMWKEFKLVODAMI-INIZCTEOSA-N 0 1 380.286 2.145 20 30 GEEDMN CN1CCN(S(=O)(=O)c2ccc(NN=Cc3sccc3Cl)nc2)CC1 ZINC000782152051 653655582 /nfs/dbraw/zinc/65/55/82/653655582.db2.gz MYUOMIWHDWLWOM-UHFFFAOYSA-N 0 1 399.929 2.179 20 30 GEEDMN COC(=O)Cc1sccc1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000815453266 653659456 /nfs/dbraw/zinc/65/94/56/653659456.db2.gz AHHGXTSJYJSECA-NSHDSACASA-N 0 1 378.431 2.262 20 30 GEEDMN COC(=O)Cc1sccc1C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000815453266 653659457 /nfs/dbraw/zinc/65/94/57/653659457.db2.gz AHHGXTSJYJSECA-NSHDSACASA-N 0 1 378.431 2.262 20 30 GEEDMN C#CCN(C)CCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000815652593 653662553 /nfs/dbraw/zinc/66/25/53/653662553.db2.gz JKADDORPDXOEJZ-OAHLLOKOSA-N 0 1 385.327 2.212 20 30 GEEDMN C#CCn1cc(CNC(=O)c2c[nH]c3ccc(Br)cc3c2=O)cn1 ZINC000816371225 653683212 /nfs/dbraw/zinc/68/32/12/653683212.db2.gz WPRUYRIYMIRPLY-UHFFFAOYSA-N 0 1 385.221 2.050 20 30 GEEDMN O=C(NCc1ccc(C(=O)NO)cc1)c1n[nH]c2ccc(Br)cc21 ZINC000816402163 653683693 /nfs/dbraw/zinc/68/36/93/653683693.db2.gz DZTXKMZFZMKVOY-UHFFFAOYSA-N 0 1 389.209 2.374 20 30 GEEDMN CCN(CCC#N)C(=O)CN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880218287 653700886 /nfs/dbraw/zinc/70/08/86/653700886.db2.gz KREXZFTYXWQUJH-WOVMCDHWSA-N 0 1 380.286 2.151 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000841007990 653704854 /nfs/dbraw/zinc/70/48/54/653704854.db2.gz WIADIIVQLGJMOK-CPCISQLKSA-N 0 1 388.063 2.445 20 30 GEEDMN C#CCC1(O)CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000880477496 653706655 /nfs/dbraw/zinc/70/66/55/653706655.db2.gz RLSLBCZWEKBFRO-UHFFFAOYSA-N 0 1 379.298 2.258 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000841149704 653707877 /nfs/dbraw/zinc/70/78/77/653707877.db2.gz LEVULPSMXZTVGR-FZMZJTMJSA-N 0 1 378.274 2.282 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000841199102 653710227 /nfs/dbraw/zinc/71/02/27/653710227.db2.gz BATFEXHXHMRHEV-DGCLKSJQSA-N 0 1 379.251 2.471 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241420 653712095 /nfs/dbraw/zinc/71/20/95/653712095.db2.gz NDUSTDQUPJJFJL-POYBYMJQSA-N 0 1 378.152 2.096 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000841251384 653712416 /nfs/dbraw/zinc/71/24/16/653712416.db2.gz UGCGXYGMYQOAIF-HQJQHLMTSA-N 0 1 390.612 2.178 20 30 GEEDMN N#CCCNC(=O)CN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000786442759 653722485 /nfs/dbraw/zinc/72/24/85/653722485.db2.gz UIIMZKWLSISSHN-UHFFFAOYSA-N 0 1 380.286 2.460 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CN(C)CCN2C)s1 ZINC000819271919 653747672 /nfs/dbraw/zinc/74/76/72/653747672.db2.gz XRRDEJVHGTWEMZ-CYBMUJFWSA-N 0 1 388.990 2.201 20 30 GEEDMN COC(=O)c1ccc(C=NNc2ncnc3nc[nH]c32)c(Br)c1 ZINC000788994510 653767960 /nfs/dbraw/zinc/76/79/60/653767960.db2.gz KJAUWFJNAGIQHP-UHFFFAOYSA-N 0 1 375.186 2.348 20 30 GEEDMN C#C[C@H](NC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000820612560 653778270 /nfs/dbraw/zinc/77/82/70/653778270.db2.gz XREFQTSIQLHOPY-VBQJREDUSA-N 0 1 394.313 2.220 20 30 GEEDMN C#C[C@@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000820616219 653778447 /nfs/dbraw/zinc/77/84/47/653778447.db2.gz GVIOAAQTMZUJQO-MRXNPFEDSA-N 0 1 394.313 2.222 20 30 GEEDMN CS(C)(=O)=NC(=O)c1ccccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000820801458 653784139 /nfs/dbraw/zinc/78/41/39/653784139.db2.gz NQMVRJOPFGNWDE-UHFFFAOYSA-N 0 1 377.447 2.227 20 30 GEEDMN CC(C)(C#N)CS(=O)(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000790019668 653784719 /nfs/dbraw/zinc/78/47/19/653784719.db2.gz DEDMRQPLPWXQSP-UHFFFAOYSA-N 0 1 398.286 2.203 20 30 GEEDMN CC(C)(C#N)CS(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000790019668 653784720 /nfs/dbraw/zinc/78/47/20/653784720.db2.gz DEDMRQPLPWXQSP-UHFFFAOYSA-N 0 1 398.286 2.203 20 30 GEEDMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000843459498 653787432 /nfs/dbraw/zinc/78/74/32/653787432.db2.gz FKPRDHLHAZRIOM-WFASDCNBSA-N 0 1 388.269 2.093 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000843462057 653787623 /nfs/dbraw/zinc/78/76/23/653787623.db2.gz ZKKATZHWFFXYRF-LKFCYVNXSA-N 0 1 381.219 2.402 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000844194376 653803086 /nfs/dbraw/zinc/80/30/86/653803086.db2.gz FWHZRZMICDMSPV-ABAIWWIYSA-N 0 1 376.869 2.146 20 30 GEEDMN Cn1ncc(I)c1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000895468370 653836845 /nfs/dbraw/zinc/83/68/45/653836845.db2.gz UBZYQEOTHNGLKA-CYBMUJFWSA-N 0 1 378.217 2.153 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884250316 653869333 /nfs/dbraw/zinc/86/93/33/653869333.db2.gz BTVICJYGQIMVGP-KCJUWKMLSA-N 0 1 397.323 2.404 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC000884250318 653869414 /nfs/dbraw/zinc/86/94/14/653869414.db2.gz BTVICJYGQIMVGP-LDYMZIIASA-N 0 1 397.323 2.404 20 30 GEEDMN C=CCOC(=O)[C@@H](N)CC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000884438644 653876966 /nfs/dbraw/zinc/87/69/66/653876966.db2.gz GPCDJQMDOICMLX-LSDHHAIUSA-N 0 1 388.295 2.159 20 30 GEEDMN C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)NC(=O)OC(C)(C)C ZINC000795205726 653938771 /nfs/dbraw/zinc/93/87/71/653938771.db2.gz BTHYMOQHDJQIGM-VIFPVBQESA-N 0 1 375.397 2.028 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2-c2nn[nH]n2)cc1Cl ZINC000826386030 653950331 /nfs/dbraw/zinc/95/03/31/653950331.db2.gz MCAPONPTRZOBFA-UHFFFAOYSA-N 0 1 378.776 2.332 20 30 GEEDMN CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(F)(F)F ZINC000848456665 653977749 /nfs/dbraw/zinc/97/77/49/653977749.db2.gz ZOQFMLXLYVDPDR-VIFPVBQESA-N 0 1 399.416 2.354 20 30 GEEDMN N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(Br)[nH]n2)CC1 ZINC000827412234 653990483 /nfs/dbraw/zinc/99/04/83/653990483.db2.gz SUVSBUBIDSATGK-UHFFFAOYSA-N 0 1 378.205 2.145 20 30 GEEDMN C#CC[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000829794094 654080473 /nfs/dbraw/zinc/08/04/73/654080473.db2.gz REGZLQXBSVWEKT-CQSZACIVSA-N 0 1 392.297 2.239 20 30 GEEDMN N#CC(C(=O)COc1ccc(Br)cn1)C(=O)NC1CCCCC1 ZINC000870139630 654146524 /nfs/dbraw/zinc/14/65/24/654146524.db2.gz WEJWOJSLHBYDQK-CYBMUJFWSA-N 0 1 380.242 2.381 20 30 GEEDMN CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000919841651 654194294 /nfs/dbraw/zinc/19/42/94/654194294.db2.gz DLWJWJYXNHJWCD-QWHCGFSZSA-N 0 1 384.299 2.178 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000870941703 654210390 /nfs/dbraw/zinc/21/03/90/654210390.db2.gz YTCQZWAOCVEMGH-HQJQHLMTSA-N 0 1 378.148 2.189 20 30 GEEDMN C[C@@]1(CS(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)CC1(Cl)Cl ZINC000903129360 654219123 /nfs/dbraw/zinc/21/91/23/654219123.db2.gz ULHBWKZBSPDTTO-ZDUSSCGKSA-N 0 1 393.296 2.432 20 30 GEEDMN CN1CCN(c2ncccc2CNc2cc(Br)cnc2C#N)CC1 ZINC000853234162 654288224 /nfs/dbraw/zinc/28/82/24/654288224.db2.gz NFUXJLPDADKGKP-UHFFFAOYSA-N 0 1 387.285 2.475 20 30 GEEDMN N#CCc1ccc(OC[C@H](O)CNCc2ccc(Br)cn2)cc1 ZINC000872234278 654318672 /nfs/dbraw/zinc/31/86/72/654318672.db2.gz NOMHGNZQCRTUHC-MRXNPFEDSA-N 0 1 376.254 2.440 20 30 GEEDMN C#CCCN1CCN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC1 ZINC000892083683 654327592 /nfs/dbraw/zinc/32/75/92/654327592.db2.gz STOPZRDPGFTUTA-UHFFFAOYSA-N 0 1 391.317 2.489 20 30 GEEDMN CCc1c(C(=O)N[C@H]2CNC[C@@H]2C#N)cnn1-c1ccc(Br)cc1 ZINC000834489675 654329821 /nfs/dbraw/zinc/32/98/21/654329821.db2.gz OODDQFIIMGTVRT-NHYWBVRUSA-N 0 1 388.269 2.039 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000834490308 654329896 /nfs/dbraw/zinc/32/98/96/654329896.db2.gz UDFXVDYOZJSUBU-YUMQZZPRSA-N 0 1 383.296 2.475 20 30 GEEDMN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2c3c(nn2C)CCSC3)n1 ZINC000892624532 654354206 /nfs/dbraw/zinc/35/42/06/654354206.db2.gz OYTLJBTVNHMTOH-VIFPVBQESA-N 0 1 376.463 2.333 20 30 GEEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2c3c(nn2C)CCSC3)n1 ZINC000892624532 654354210 /nfs/dbraw/zinc/35/42/10/654354210.db2.gz OYTLJBTVNHMTOH-VIFPVBQESA-N 0 1 376.463 2.333 20 30 GEEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2c3c(nn2C)CCSC3)n1 ZINC000892624531 654354249 /nfs/dbraw/zinc/35/42/49/654354249.db2.gz OYTLJBTVNHMTOH-SECBINFHSA-N 0 1 376.463 2.333 20 30 GEEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2c3c(nn2C)CCSC3)n1 ZINC000892624531 654354252 /nfs/dbraw/zinc/35/42/52/654354252.db2.gz OYTLJBTVNHMTOH-SECBINFHSA-N 0 1 376.463 2.333 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000922023635 654355934 /nfs/dbraw/zinc/35/59/34/654355934.db2.gz KEYINUPLACCLOP-UHFFFAOYSA-N 0 1 385.873 2.275 20 30 GEEDMN N#Cc1ccc(OCC(=O)C(C#N)C(=O)NC2CCCC2)cc1Br ZINC000835071546 654360530 /nfs/dbraw/zinc/36/05/30/654360530.db2.gz QAZHFEWXVSRZKC-CQSZACIVSA-N 0 1 390.237 2.467 20 30 GEEDMN CCOCc1nc(C)cc(NN=Cc2c(Br)nc3n2CCOC3)n1 ZINC000905497805 654361282 /nfs/dbraw/zinc/36/12/82/654361282.db2.gz AYKSGDFPANFAQP-UHFFFAOYSA-N 0 1 395.261 2.257 20 30 GEEDMN CN1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000872665425 654387851 /nfs/dbraw/zinc/38/78/51/654387851.db2.gz YBCWKKMVAIYCFR-CABCVRRESA-N 0 1 384.299 2.178 20 30 GEEDMN CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1cccs1 ZINC000906986171 654496376 /nfs/dbraw/zinc/49/63/76/654496376.db2.gz HTRQHXKAICLAQV-WMLDXEAASA-N 0 1 376.507 2.376 20 30 GEEDMN CN1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907328961 654532500 /nfs/dbraw/zinc/53/25/00/654532500.db2.gz JXCXCQATTBKULF-HUUCEWRRSA-N 0 1 384.299 2.178 20 30 GEEDMN Cc1c(C)c(NC(=O)N[C@H]2CNC[C@H]2C#N)ccc1I ZINC000926204421 654563253 /nfs/dbraw/zinc/56/32/53/654563253.db2.gz UXCNMNCBYUDQKO-MFKMUULPSA-N 0 1 384.221 2.141 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000928651208 654654356 /nfs/dbraw/zinc/65/43/56/654654356.db2.gz QUVLQPLKXCCGKW-UHFFFAOYSA-N 0 1 387.281 2.462 20 30 GEEDMN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](N3CCC3)C2)C1 ZINC000912904062 654773794 /nfs/dbraw/zinc/77/37/94/654773794.db2.gz VIMZIOKVMNPYDR-MRXNPFEDSA-N 0 1 389.297 2.064 20 30 GEEDMN CCN1CC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1I ZINC000932547993 654780787 /nfs/dbraw/zinc/78/07/87/654780787.db2.gz WURREPMUWVPCEO-LLVKDONJSA-N 0 1 384.221 2.379 20 30 GEEDMN COc1cc(Br)cc(C=N[N-]c2[nH+]cnc3c2cnn3C)c1O ZINC000915964099 654883658 /nfs/dbraw/zinc/88/36/58/654883658.db2.gz LKXWFKDGBYWRMN-UHFFFAOYSA-N 0 1 377.202 2.286 20 30 GEEDMN Cc1nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164743037 720621751 /nfs/dbraw/zinc/62/17/51/720621751.db2.gz OKMLXOAGHORTGC-CABCVRRESA-N 0 1 384.871 2.355 20 30 GEEDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(C#N)c(C#N)nc1Cl)[C@H]2C ZINC001164860439 720962953 /nfs/dbraw/zinc/96/29/53/720962953.db2.gz PSQUUWLYGJOCJI-LBPRGKRZSA-N 0 1 384.875 2.491 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(Cl)c(C#N)n4)C3)O2)CC1 ZINC001164893549 721386963 /nfs/dbraw/zinc/38/69/63/721386963.db2.gz VBPCMDZKSSZIAC-UZLBHIALSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)cc4C#N)C3)O2)CC1 ZINC001164890794 721426862 /nfs/dbraw/zinc/42/68/62/721426862.db2.gz FUQXMSUXEQEFEB-QUCCMNQESA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5[nH]c(C#N)cc5n4)C3)O2)CC1 ZINC001164889537 721431039 /nfs/dbraw/zinc/43/10/39/721431039.db2.gz BKKSSIXXJPXVLV-GCJKJVERSA-N 0 1 394.523 2.200 20 30 GEEDMN N#Cc1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902817 721528333 /nfs/dbraw/zinc/52/83/33/721528333.db2.gz BHWYGVBRBHNQQX-FUHWJXTLSA-N 0 1 383.383 2.342 20 30 GEEDMN Cc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(C=NO)c1 ZINC001164809835 721570281 /nfs/dbraw/zinc/57/02/81/721570281.db2.gz XKNUMNUERABPRZ-SLFFLAALSA-N 0 1 381.480 2.461 20 30 GEEDMN CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001164967824 722074201 /nfs/dbraw/zinc/07/42/01/722074201.db2.gz YGGVVJPLEHUVET-CALCHBBNSA-N 0 1 383.496 2.237 20 30 GEEDMN CN1C(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C#N)c3)cc2C1=O ZINC000042625747 531670195 /nfs/dbraw/zinc/67/01/95/531670195.db2.gz QMAXBPXCTMGCPY-UHFFFAOYSA-N 0 1 375.793 2.238 20 30 GEEDMN C=C(C)COCCNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000132615622 532218936 /nfs/dbraw/zinc/21/89/36/532218936.db2.gz XEJHYKKBCWIEDA-UHFFFAOYSA-N 0 1 385.205 2.490 20 30 GEEDMN Cc1cccc(S(=O)(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c1C#N ZINC000137699894 532291220 /nfs/dbraw/zinc/29/12/20/532291220.db2.gz PBKADMRVAPNWOX-UHFFFAOYSA-N 0 1 378.475 2.255 20 30 GEEDMN COC(=O)CCN1CCN(Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000181232271 532293778 /nfs/dbraw/zinc/29/37/78/532293778.db2.gz NYMMRTDIAUJROO-CYBMUJFWSA-N 0 1 380.286 2.390 20 30 GEEDMN C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Br)cc1[O-] ZINC000186039875 532339764 /nfs/dbraw/zinc/33/97/64/532339764.db2.gz IYFZCUGUBSLIKO-GLTXTHCDSA-N 0 1 380.242 2.332 20 30 GEEDMN COc1c(Br)cccc1CNCCNC(=O)C1N=CC=CC1=O ZINC000187239976 532343643 /nfs/dbraw/zinc/34/36/43/532343643.db2.gz FDPPAIJRMPYAEY-PEZBUJJGSA-N 0 1 380.242 2.074 20 30 GEEDMN CCN1CCN([C@H]2CCN(C(=O)c3ccc(Br)cc3C#N)C2)CC1 ZINC000294641613 532373959 /nfs/dbraw/zinc/37/39/59/532373959.db2.gz OZICMHDQJNTCLS-INIZCTEOSA-N 0 1 391.313 2.173 20 30 GEEDMN C#CCO[C@H](C)C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000294834460 532386245 /nfs/dbraw/zinc/38/62/45/532386245.db2.gz XQHQONODKNBGGQ-CYBMUJFWSA-N 0 1 380.286 2.178 20 30 GEEDMN Cc1ncc(S(=O)(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc1C#N ZINC000427348840 532421940 /nfs/dbraw/zinc/42/19/40/532421940.db2.gz XSEMYTOJNUNCIM-UHFFFAOYSA-N 0 1 385.854 2.119 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCN[C@H](CCO)c2ccc(Cl)cc2)nc1 ZINC000561785249 532452489 /nfs/dbraw/zinc/45/24/89/532452489.db2.gz PEEUDDGZBVVFFO-MRXNPFEDSA-N 0 1 379.869 2.094 20 30 GEEDMN CC(C)(C#N)c1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1 ZINC000593198177 532474218 /nfs/dbraw/zinc/47/42/18/532474218.db2.gz JCQARWZUPLIKCS-UHFFFAOYSA-N 0 1 379.463 2.087 20 30 GEEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000431182992 532507672 /nfs/dbraw/zinc/50/76/72/532507672.db2.gz WNQJEZIPMPXSED-UHFFFAOYSA-N 0 1 383.426 2.178 20 30 GEEDMN C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000374588014 532513301 /nfs/dbraw/zinc/51/33/01/532513301.db2.gz UXKNSFYWZORINZ-UKPHBRMFSA-N 0 1 384.933 2.401 20 30 GEEDMN C#CCNC(=O)CCSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000296393758 532518555 /nfs/dbraw/zinc/51/85/55/532518555.db2.gz WSUWTGMQYKVKFK-UHFFFAOYSA-N 0 1 395.282 2.474 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000593902477 532502018 /nfs/dbraw/zinc/50/20/18/532502018.db2.gz AHHZBKCRYLAIKS-LLVKDONJSA-N 0 1 391.225 2.358 20 30 GEEDMN CC(C)(C)N1CC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000595075786 532543114 /nfs/dbraw/zinc/54/31/14/532543114.db2.gz YTZNDCZTUVRYSH-LBPRGKRZSA-N 0 1 393.285 2.248 20 30 GEEDMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000595345194 532558255 /nfs/dbraw/zinc/55/82/55/532558255.db2.gz NSVCHVPJSRFLGC-GFCCVEGCSA-N 0 1 386.315 2.426 20 30 GEEDMN C#CCN1CCC(C(=O)N(C)C[C@H](O)c2ccccc2Br)CC1 ZINC000296832060 532546044 /nfs/dbraw/zinc/54/60/44/532546044.db2.gz DNOPTNLAVNHRMC-KRWDZBQOSA-N 0 1 379.298 2.286 20 30 GEEDMN C=CCCS(=O)(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OCC ZINC000472780996 532582876 /nfs/dbraw/zinc/58/28/76/532582876.db2.gz BBKRWIZDHDDCOX-UHFFFAOYSA-N 0 1 390.527 2.434 20 30 GEEDMN Cc1cc([C@H](C#N)C(=O)c2cc(Br)c(C)n(C)c2=O)nc(C)n1 ZINC000566718341 532624225 /nfs/dbraw/zinc/62/42/25/532624225.db2.gz BJCGPDBPBXIXKT-LBPRGKRZSA-N 0 1 375.226 2.353 20 30 GEEDMN C[C@H](C#N)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436539314 532636858 /nfs/dbraw/zinc/63/68/58/532636858.db2.gz NNDMSJBLIJBNIS-SNVBAGLBSA-N 0 1 379.825 2.488 20 30 GEEDMN C[C@H]1C[C@H](NC[C@H](O)CC2(C#N)CCOCC2)c2ccsc2S1(=O)=O ZINC000600739573 532681443 /nfs/dbraw/zinc/68/14/43/532681443.db2.gz QNSGSOKHKRTHFK-GUTXKFCHSA-N 0 1 384.523 2.016 20 30 GEEDMN N#Cc1ccnc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000495319728 532720485 /nfs/dbraw/zinc/72/04/85/532720485.db2.gz SDKRZUPEPYMCLZ-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN N#Cc1ccnc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000495319728 532720488 /nfs/dbraw/zinc/72/04/88/532720488.db2.gz SDKRZUPEPYMCLZ-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN N#Cc1cccc(C(=O)N2CCN(C3CCOCC3)CC2)c1Br ZINC000408450546 532719410 /nfs/dbraw/zinc/71/94/10/532719410.db2.gz FKPBFSBRCFMECV-UHFFFAOYSA-N 0 1 378.270 2.258 20 30 GEEDMN C=CCNC(=O)CN[C@H]1CCCOc2ccc(I)cc21 ZINC000540780270 532744246 /nfs/dbraw/zinc/74/42/46/532744246.db2.gz VLKIIFHREDFTEQ-ZDUSSCGKSA-N 0 1 386.233 2.397 20 30 GEEDMN C=C[C@@H]1OCC[C@H]1NC(=O)c1n[nH]c2ccc(I)cc21 ZINC000452920116 532776513 /nfs/dbraw/zinc/77/65/13/532776513.db2.gz FRNZKLKGGDALMF-NEPJUHHUSA-N 0 1 383.189 2.241 20 30 GEEDMN CN1C(=O)c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2C1=O ZINC000326800041 532790976 /nfs/dbraw/zinc/79/09/76/532790976.db2.gz BZXJFRNZYSOYQR-UHFFFAOYSA-N 0 1 375.793 2.238 20 30 GEEDMN CN1CC[C@H](N2CCC(NC(=O)c3csc(C(F)(F)F)n3)CC2)C1=O ZINC000329164804 532803025 /nfs/dbraw/zinc/80/30/25/532803025.db2.gz HEAZVQFSNJRBPS-NSHDSACASA-N 0 1 376.404 2.162 20 30 GEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@H]2C1 ZINC000272475205 532815803 /nfs/dbraw/zinc/81/58/03/532815803.db2.gz UHTVJWPWANXGSI-WFASDCNBSA-N 0 1 384.299 2.035 20 30 GEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@@H]2C1 ZINC000272475202 532815912 /nfs/dbraw/zinc/81/59/12/532815912.db2.gz UHTVJWPWANXGSI-SWLSCSKDSA-N 0 1 384.299 2.035 20 30 GEEDMN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000330619169 532822882 /nfs/dbraw/zinc/82/28/82/532822882.db2.gz ZAMLHKVKGMNULA-LSDHHAIUSA-N 0 1 386.315 2.271 20 30 GEEDMN C=C[C@H](CO)NS(=O)(=O)c1scc(Br)c1Br ZINC000290047785 532871372 /nfs/dbraw/zinc/87/13/72/532871372.db2.gz BBVYFLSHDKTXPG-RXMQYKEDSA-N 0 1 391.106 2.098 20 30 GEEDMN CCc1nc(C[NH+]2CCC(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)cs1 ZINC000820492200 597647578 /nfs/dbraw/zinc/64/75/78/597647578.db2.gz BBNGMXUWGUWAKU-GOSISDBHSA-N 0 1 378.498 2.038 20 30 GEEDMN N#Cc1ccc(OC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739128373 599866202 /nfs/dbraw/zinc/86/62/02/599866202.db2.gz ARGAETSUSBWWPE-HNNXBMFYSA-N 0 1 376.359 2.163 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)sc2c1CCC2 ZINC000739091817 600516232 /nfs/dbraw/zinc/51/62/32/600516232.db2.gz BSJWXKNERPMLBX-CYBMUJFWSA-N 0 1 391.493 2.393 20 30 GEEDMN COc1cc(C(=O)N2CC[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)ccc1C ZINC000737844739 600564581 /nfs/dbraw/zinc/56/45/81/600564581.db2.gz SUINOXADAALSIK-FQEVSTJZSA-N 0 1 393.443 2.459 20 30 GEEDMN CCN1CCN(c2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cn2)CC1 ZINC000737123497 600593693 /nfs/dbraw/zinc/59/36/93/600593693.db2.gz VGXVXOZMQHIFBC-HXUWFJFHSA-N 0 1 379.464 2.011 20 30 GEEDMN CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC000829781222 600879591 /nfs/dbraw/zinc/87/95/91/600879591.db2.gz RNYSAJUDWLPXKF-FQEVSTJZSA-N 0 1 378.428 2.444 20 30 GEEDMN CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC000829781222 600879593 /nfs/dbraw/zinc/87/95/93/600879593.db2.gz RNYSAJUDWLPXKF-FQEVSTJZSA-N 0 1 378.428 2.444 20 30 GEEDMN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2CC(=O)[O-])c1 ZINC000832877239 601016294 /nfs/dbraw/zinc/01/62/94/601016294.db2.gz SFZACEHRSREHDP-QGZVFWFLSA-N 0 1 375.494 2.442 20 30 GEEDMN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2CC(=O)[O-])c1 ZINC000832877239 601016296 /nfs/dbraw/zinc/01/62/96/601016296.db2.gz SFZACEHRSREHDP-QGZVFWFLSA-N 0 1 375.494 2.442 20 30 GEEDMN CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000830290300 601028600 /nfs/dbraw/zinc/02/86/00/601028600.db2.gz LBOIEMFKSSXILO-FXAWDEMLSA-N 0 1 396.447 2.357 20 30 GEEDMN CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)o1 ZINC000830290303 601028776 /nfs/dbraw/zinc/02/87/76/601028776.db2.gz LBOIEMFKSSXILO-YLJYHZDGSA-N 0 1 396.447 2.357 20 30 GEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000825977269 601924750 /nfs/dbraw/zinc/92/47/50/601924750.db2.gz BTQCWUMRYDGHFX-XJKSGUPXSA-N 0 1 379.457 2.353 20 30 GEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000825977269 601924753 /nfs/dbraw/zinc/92/47/53/601924753.db2.gz BTQCWUMRYDGHFX-XJKSGUPXSA-N 0 1 379.457 2.353 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3CCN(C(=O)[O-])CC3)CC2)cc1 ZINC000740312140 602162851 /nfs/dbraw/zinc/16/28/51/602162851.db2.gz BTJPJBUKSMQMCR-UHFFFAOYSA-N 0 1 399.495 2.166 20 30 GEEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738641124 602530437 /nfs/dbraw/zinc/53/04/37/602530437.db2.gz XKCWPLWXQSQKFN-VXGBXAGGSA-N 0 1 376.482 2.367 20 30 GEEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738641124 602530439 /nfs/dbraw/zinc/53/04/39/602530439.db2.gz XKCWPLWXQSQKFN-VXGBXAGGSA-N 0 1 376.482 2.367 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739978230 602531076 /nfs/dbraw/zinc/53/10/76/602531076.db2.gz SOUQDICTDUURTI-JKSUJKDBSA-N 0 1 388.468 2.262 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739978230 602531077 /nfs/dbraw/zinc/53/10/77/602531077.db2.gz SOUQDICTDUURTI-JKSUJKDBSA-N 0 1 388.468 2.262 20 30 GEEDMN CN(C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1)C(=O)[O-] ZINC000739666594 602533741 /nfs/dbraw/zinc/53/37/41/602533741.db2.gz UMBGNOFAIBXSJI-GFCCVEGCSA-N 0 1 376.482 2.369 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000738130186 602534357 /nfs/dbraw/zinc/53/43/57/602534357.db2.gz OMWDZLPZSBBIGP-OAHLLOKOSA-N 0 1 388.468 2.405 20 30 GEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179132 602761897 /nfs/dbraw/zinc/76/18/97/602761897.db2.gz VGVBOKSMXVSKHK-CPUCHLNUSA-N 0 1 376.432 2.439 20 30 GEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179132 602761899 /nfs/dbraw/zinc/76/18/99/602761899.db2.gz VGVBOKSMXVSKHK-CPUCHLNUSA-N 0 1 376.432 2.439 20 30 GEEDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000827016381 604513518 /nfs/dbraw/zinc/51/35/18/604513518.db2.gz OFHGFSYACQYPRR-AWEZNQCLSA-N 0 1 379.482 2.247 20 30 GEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000833572811 604861240 /nfs/dbraw/zinc/86/12/40/604861240.db2.gz CZNLSVHWOUYDLC-IERDGZPVSA-N 0 1 398.463 2.106 20 30 GEEDMN C=CCOc1ccc(/C=C\C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)cc1OC ZINC000833378208 605275889 /nfs/dbraw/zinc/27/58/89/605275889.db2.gz ZINKQCQJGWYAOH-QKIRZYONSA-N 0 1 388.464 2.281 20 30 GEEDMN N#CC1(NC(=O)c2ccc(CNC(=O)[O-])o2)CC[NH+](Cc2ccccc2)CC1 ZINC000833963430 605415589 /nfs/dbraw/zinc/41/55/89/605415589.db2.gz MGGIHLRFEFPJEH-UHFFFAOYSA-N 0 1 382.420 2.335 20 30 GEEDMN N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000833967061 605670900 /nfs/dbraw/zinc/67/09/00/605670900.db2.gz GXNSBAQVNYFXHK-RLLQIKCJSA-N 0 1 387.480 2.489 20 30 GEEDMN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+](C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833963260 605780826 /nfs/dbraw/zinc/78/08/26/605780826.db2.gz KLGWMSFCLKQSHZ-HOTGVXAUSA-N 0 1 391.431 2.440 20 30 GEEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832587 605902564 /nfs/dbraw/zinc/90/25/64/605902564.db2.gz UFBNBHJLQBFCRH-WOPDTQHZSA-N 0 1 376.482 2.413 20 30 GEEDMN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832587 605902568 /nfs/dbraw/zinc/90/25/68/605902568.db2.gz UFBNBHJLQBFCRH-WOPDTQHZSA-N 0 1 376.482 2.413 20 30 GEEDMN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821586112 606511991 /nfs/dbraw/zinc/51/19/91/606511991.db2.gz KDMYYXAPEDLEDI-UHFFFAOYSA-N 0 1 381.465 2.004 20 30 GEEDMN CC[C@H](C#N)OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000820842059 606613712 /nfs/dbraw/zinc/61/37/12/606613712.db2.gz IWXCGAUAGJTLCC-GFCCVEGCSA-N 0 1 397.395 2.176 20 30 GEEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000819743342 607213774 /nfs/dbraw/zinc/21/37/74/607213774.db2.gz HDYKZEKIFXFTJP-CYBMUJFWSA-N 0 1 380.456 2.227 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826385876 607998009 /nfs/dbraw/zinc/99/80/09/607998009.db2.gz GCUUHURRHGAZFL-INIZCTEOSA-N 0 1 375.392 2.051 20 30 GEEDMN C=C[C@@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823882962 608021890 /nfs/dbraw/zinc/02/18/90/608021890.db2.gz HCRQEAUUHRTHGA-ZDUSSCGKSA-N 0 1 380.456 2.040 20 30 GEEDMN C=C[C@@H](CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823882962 608021891 /nfs/dbraw/zinc/02/18/91/608021891.db2.gz HCRQEAUUHRTHGA-ZDUSSCGKSA-N 0 1 380.456 2.040 20 30 GEEDMN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553269 608464543 /nfs/dbraw/zinc/46/45/43/608464543.db2.gz AVSYEEBVTXHXGH-HNNXBMFYSA-N 0 1 375.436 2.464 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)N1CCN(C2CCC2)CC1 ZINC000449857453 650053933 /nfs/dbraw/zinc/05/39/33/650053933.db2.gz BJBNSTNNHABZNV-UHFFFAOYSA-N 0 1 378.270 2.396 20 30 GEEDMN N#Cc1cccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1Br ZINC000450056575 650059131 /nfs/dbraw/zinc/05/91/31/650059131.db2.gz LNXPEMPHUYWJOT-CYBMUJFWSA-N 0 1 378.270 2.115 20 30 GEEDMN CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCc2ccc(C#N)cc21 ZINC000451336120 650104714 /nfs/dbraw/zinc/10/47/14/650104714.db2.gz DUFXOWGOOJFLSS-ZDUSSCGKSA-N 0 1 376.356 2.135 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cnc[nH]1 ZINC000461463742 650454667 /nfs/dbraw/zinc/45/46/67/650454667.db2.gz HOYBWWPJRRLTAA-UHFFFAOYSA-N 0 1 379.214 2.138 20 30 GEEDMN CS(=O)(=O)Nc1cc(F)ccc1NS(=O)(=O)c1ccccc1CC#N ZINC000475805011 650539457 /nfs/dbraw/zinc/53/94/57/650539457.db2.gz NLINVKWLZZHDNY-UHFFFAOYSA-N 0 1 383.426 2.064 20 30 GEEDMN CNS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC000479524059 650605408 /nfs/dbraw/zinc/60/54/08/650605408.db2.gz GPIKXGXBZSIPCX-UHFFFAOYSA-N 0 1 399.881 2.229 20 30 GEEDMN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(Cl)c1O ZINC000532628767 650751441 /nfs/dbraw/zinc/75/14/41/650751441.db2.gz QUYGGGUMTCGODY-JTQLQIEISA-N 0 1 379.825 2.223 20 30 GEEDMN COc1ccc(C(=O)NC2(C#N)CCN(C)CC2)c(I)c1 ZINC000539003488 650840766 /nfs/dbraw/zinc/84/07/66/650840766.db2.gz QKEGZIUFOIFIGI-UHFFFAOYSA-N 0 1 399.232 2.018 20 30 GEEDMN COc1ccc(Br)c(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC000128035082 643790639 /nfs/dbraw/zinc/79/06/39/643790639.db2.gz VEBSDKWALWTCHQ-NXVVXOECSA-N 0 1 380.242 2.074 20 30 GEEDMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)C1(O)CCOCC1 ZINC000330003431 647328406 /nfs/dbraw/zinc/32/84/06/647328406.db2.gz BUCGAROXVHKGAI-UHFFFAOYSA-N 0 1 381.230 2.232 20 30 GEEDMN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)C1(O)CCOCC1 ZINC000330003431 647328409 /nfs/dbraw/zinc/32/84/09/647328409.db2.gz BUCGAROXVHKGAI-UHFFFAOYSA-N 0 1 381.230 2.232 20 30 GEEDMN C[C@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(Br)cn1 ZINC000331055198 647365219 /nfs/dbraw/zinc/36/52/19/647365219.db2.gz KJJHLIZSLCVWEC-LBPRGKRZSA-N 0 1 385.306 2.208 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1N1CCCC1 ZINC000332107929 647411850 /nfs/dbraw/zinc/41/18/50/647411850.db2.gz ZZURHMMRYITYAR-CVEARBPZSA-N 0 1 385.942 2.412 20 30 GEEDMN C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccnc2C#N)[C@H]1c1cccs1 ZINC000366786350 647704320 /nfs/dbraw/zinc/70/43/20/647704320.db2.gz FIUFRWZERBXZCR-DYVFJYSZSA-N 0 1 376.507 2.376 20 30 GEEDMN CN1CCC[C@H](CNS(=O)(=O)c2cccnc2C#N)[C@H]1c1cccs1 ZINC000366786350 647704327 /nfs/dbraw/zinc/70/43/27/647704327.db2.gz FIUFRWZERBXZCR-DYVFJYSZSA-N 0 1 376.507 2.376 20 30 GEEDMN C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@H]21 ZINC000367769921 647743991 /nfs/dbraw/zinc/74/39/91/647743991.db2.gz COMSPQLCGSJTQQ-BXUZGUMPSA-N 0 1 384.299 2.035 20 30 GEEDMN CN1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@H]21 ZINC000367769921 647743994 /nfs/dbraw/zinc/74/39/94/647743994.db2.gz COMSPQLCGSJTQQ-BXUZGUMPSA-N 0 1 384.299 2.035 20 30 GEEDMN N#CCS(=O)(=O)c1ccc(NS(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000430670365 648765080 /nfs/dbraw/zinc/76/50/80/648765080.db2.gz ULTPRDDFYCJIRP-UHFFFAOYSA-N 0 1 386.401 2.204 20 30 GEEDMN Cc1cccc(S(=O)(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)c1C#N ZINC000440827758 648815094 /nfs/dbraw/zinc/81/50/94/648815094.db2.gz AFSKZDWQGVFCBW-UHFFFAOYSA-N 0 1 379.463 2.347 20 30 GEEDMN Cc1ccc(S(=O)(=O)N2CCC(NCc3nc(C#N)cs3)CC2)cc1 ZINC000554978392 651215358 /nfs/dbraw/zinc/21/53/58/651215358.db2.gz KCMQLDMMPRXLPE-UHFFFAOYSA-N 0 1 376.507 2.266 20 30 GEEDMN CS(=O)(=O)CCCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000731288356 651624278 /nfs/dbraw/zinc/62/42/78/651624278.db2.gz SPFHLJXLNGWORO-GFCCVEGCSA-N 0 1 390.433 2.473 20 30 GEEDMN C#CCN(C[C@H](O)Cn1cccn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733198212 651693029 /nfs/dbraw/zinc/69/30/29/651693029.db2.gz YXGIWBXDTJRDML-RDJZCZTQSA-N 0 1 390.281 2.466 20 30 GEEDMN COC(=O)CCSc1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000571035433 651806955 /nfs/dbraw/zinc/80/69/55/651806955.db2.gz OHIHVVXYKXFONR-UHFFFAOYSA-N 0 1 377.447 2.409 20 30 GEEDMN N#C[C@@]1(NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCSC1 ZINC000618200757 651995549 /nfs/dbraw/zinc/99/55/49/651995549.db2.gz UIKJCZQBPINJEO-HNNXBMFYSA-N 0 1 378.251 2.420 20 30 GEEDMN Cc1nc(CS(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cs1 ZINC000619168292 652046136 /nfs/dbraw/zinc/04/61/36/652046136.db2.gz WTESLNRTODODTJ-UHFFFAOYSA-N 0 1 378.523 2.217 20 30 GEEDMN N#CCc1cccc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000619476079 652060751 /nfs/dbraw/zinc/06/07/51/652060751.db2.gz BNGOKKZWGAGTKH-UHFFFAOYSA-N 0 1 379.551 2.393 20 30 GEEDMN CCOC(=O)[C@@]1(NS(=O)(=O)c2ccc(C#N)s2)CCc2ccccc21 ZINC000619547605 652064522 /nfs/dbraw/zinc/06/45/22/652064522.db2.gz RICTTXPHQCZDBV-QGZVFWFLSA-N 0 1 376.459 2.303 20 30 GEEDMN CCOC(=O)c1c(C)nn(C)c1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000575866683 652083408 /nfs/dbraw/zinc/08/34/08/652083408.db2.gz SCGQHBTUKLIARO-UHFFFAOYSA-N 0 1 382.829 2.231 20 30 GEEDMN CC(N=Nc1ccc(S(C)(=O)=O)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000747047837 652136064 /nfs/dbraw/zinc/13/60/64/652136064.db2.gz HVEIVOOYGKSTPR-UHFFFAOYSA-N 0 1 381.479 2.298 20 30 GEEDMN C[C@H]1CCN(CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000578026684 652237274 /nfs/dbraw/zinc/23/72/74/652237274.db2.gz PBGHLWOORZEEBE-JTQLQIEISA-N 0 1 390.278 2.080 20 30 GEEDMN N#Cc1cnn2c1NC[C@H](CN1CCN(Cc3ccc(Cl)s3)CC1)C2 ZINC000580565070 652384004 /nfs/dbraw/zinc/38/40/04/652384004.db2.gz TZRLAPKVAMUNAT-CYBMUJFWSA-N 0 1 376.917 2.329 20 30 GEEDMN C[C@H](NCC(=O)Nc1sccc1C#N)c1cccc(NS(C)(=O)=O)c1 ZINC000753909960 652420617 /nfs/dbraw/zinc/42/06/17/652420617.db2.gz IRZGUXPIWVFMBX-NSHDSACASA-N 0 1 378.479 2.281 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 ZINC000584185642 652512838 /nfs/dbraw/zinc/51/28/38/652512838.db2.gz UQISZQBYTBIOBK-UHFFFAOYSA-N 0 1 380.223 2.220 20 30 GEEDMN N#C[C@@H](C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)c1ccncn1 ZINC000760352811 652604810 /nfs/dbraw/zinc/60/48/10/652604810.db2.gz NLHUXLJGRJQKQD-CYBMUJFWSA-N 0 1 399.204 2.102 20 30 GEEDMN N#Cc1cnn(C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)c1N ZINC000760808594 652624524 /nfs/dbraw/zinc/62/45/24/652624524.db2.gz BEHCOGUSIQSOPG-UHFFFAOYSA-N 0 1 392.600 2.283 20 30 GEEDMN C#CCC[NH+]1CCC(NC(=O)c2ccc(I)c([O-])c2)CC1 ZINC000760895607 652627330 /nfs/dbraw/zinc/62/73/30/652627330.db2.gz WQDPLRDWVKKHQB-UHFFFAOYSA-N 0 1 398.244 2.214 20 30 GEEDMN Cc1nn(-c2ccc(Br)cc2)cc1C=NNc1nccn(C)c1=O ZINC000763356834 652752958 /nfs/dbraw/zinc/75/29/58/652752958.db2.gz AKXLMAHQTMWIKF-UHFFFAOYSA-N 0 1 387.241 2.483 20 30 GEEDMN C#CCOc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000775297874 653309762 /nfs/dbraw/zinc/30/97/62/653309762.db2.gz BGFJGLINNRGAHO-UHFFFAOYSA-N 0 1 379.459 2.211 20 30 GEEDMN C#CCNC(=O)C1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000775587754 653317864 /nfs/dbraw/zinc/31/78/64/653317864.db2.gz ADMSUNDLZUIBNW-UHFFFAOYSA-N 0 1 375.270 2.287 20 30 GEEDMN C=C1OCCSC1C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O ZINC000816410229 653683887 /nfs/dbraw/zinc/68/38/87/653683887.db2.gz ROPLCCAKGSNRPZ-UHFFFAOYSA-N 0 1 384.255 2.164 20 30 GEEDMN C#CCN1CCC(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 ZINC000816705096 653690855 /nfs/dbraw/zinc/69/08/55/653690855.db2.gz SPPBBMREEWQPMA-MRXNPFEDSA-N 0 1 392.297 2.169 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cc(Br)ccc1Br ZINC000841028170 653705304 /nfs/dbraw/zinc/70/53/04/653705304.db2.gz CEPTVFZYSWLFSJ-HQJQHLMTSA-N 0 1 388.063 2.445 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000841142521 653707618 /nfs/dbraw/zinc/70/76/18/653707618.db2.gz RHBGYSQZWRYUMH-RDDDGLTNSA-N 0 1 390.612 2.178 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000841149706 653707934 /nfs/dbraw/zinc/70/79/34/653707934.db2.gz LEVULPSMXZTVGR-SMDDNHRTSA-N 0 1 378.274 2.282 20 30 GEEDMN CCOC(=O)c1c(NC(=O)N[C@H]2CNC[C@@H]2C#N)sc2c1CCCS2 ZINC000841157644 653708407 /nfs/dbraw/zinc/70/84/07/653708407.db2.gz IPQZYBKPUTZZJH-ONGXEEELSA-N 0 1 380.495 2.196 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000841199691 653710413 /nfs/dbraw/zinc/71/04/13/653710413.db2.gz MWSDSZKFWXFQAN-IINYFYTJSA-N 0 1 379.251 2.471 20 30 GEEDMN OC[C@@H]1CCCN1N=Cc1ccc(Cl)c(I)c1O ZINC000841657669 653738030 /nfs/dbraw/zinc/73/80/30/653738030.db2.gz OXQIRNDYIAPRSX-VIFPVBQESA-N 0 1 380.613 2.441 20 30 GEEDMN C[C@@H](NC(=S)NN=C1C(=O)Nc2cc(O)c(Br)cc21)C1CC1 ZINC000841629389 653738037 /nfs/dbraw/zinc/73/80/37/653738037.db2.gz NFVYJWAMBRMKCW-ZCFIWIBFSA-N 0 1 383.271 2.074 20 30 GEEDMN N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(Br)[nH]n2)CC1 ZINC000788281147 653753794 /nfs/dbraw/zinc/75/37/94/653753794.db2.gz OJSNTBOHOFOXSG-UHFFFAOYSA-N 0 1 378.205 2.145 20 30 GEEDMN C#CCN(C(=O)Cc1ncn[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000865826377 653776501 /nfs/dbraw/zinc/77/65/01/653776501.db2.gz VGGXSTSOEJQPEZ-CYBMUJFWSA-N 0 1 375.226 2.095 20 30 GEEDMN CN1CC[C@@H](N2CCC(Nc3c(Br)cccc3C#N)CC2)C1=O ZINC000865885783 653778439 /nfs/dbraw/zinc/77/84/39/653778439.db2.gz AHYSAGBJPUHJTH-OAHLLOKOSA-N 0 1 377.286 2.428 20 30 GEEDMN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)cnc1Cl ZINC000789766809 653781208 /nfs/dbraw/zinc/78/12/08/653781208.db2.gz YZLYGSIMBSYCNI-UHFFFAOYSA-N 0 1 385.854 2.142 20 30 GEEDMN C#CCN(C(=O)c1[nH]nnc1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000789951363 653783450 /nfs/dbraw/zinc/78/34/50/653783450.db2.gz YNUGVVZFXOUZNS-ZDUSSCGKSA-N 0 1 375.226 2.475 20 30 GEEDMN Cn1cc(CN[C@@H]2Cc3ccc(C#N)cc3C2)c(I)n1 ZINC000895466198 653836396 /nfs/dbraw/zinc/83/63/96/653836396.db2.gz GKGDIQJFXPPTAD-CQSZACIVSA-N 0 1 378.217 2.153 20 30 GEEDMN C=CCOC(=O)[C@@H](N)CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000884438643 653876961 /nfs/dbraw/zinc/87/69/61/653876961.db2.gz GPCDJQMDOICMLX-GJZGRUSLSA-N 0 1 388.295 2.159 20 30 GEEDMN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000846676035 653906197 /nfs/dbraw/zinc/90/61/97/653906197.db2.gz BIBLWSMDSIGNEO-TZMCWYRMSA-N 0 1 375.885 2.154 20 30 GEEDMN CCNc1ncc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)s1 ZINC000848376241 653973197 /nfs/dbraw/zinc/97/31/97/653973197.db2.gz ONQUYOZPDFISCR-UHFFFAOYSA-N 0 1 396.270 2.372 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1Br ZINC000827419428 653990919 /nfs/dbraw/zinc/99/09/19/653990919.db2.gz AMBMLQNCEGBRQJ-UHFFFAOYSA-N 0 1 392.232 2.454 20 30 GEEDMN C#CCN1CCC[C@@H](N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000886662499 653994307 /nfs/dbraw/zinc/99/43/07/653994307.db2.gz FOAHSCOQMAECNQ-VXGBXAGGSA-N 0 1 390.336 2.389 20 30 GEEDMN C=CCC[C@@H](CO)NS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916153397 654085709 /nfs/dbraw/zinc/08/57/09/654085709.db2.gz FKLZFLQMCKLHGZ-RULNZOCKSA-N 0 1 386.417 2.195 20 30 GEEDMN COc1cc(C=Nn2c(C(F)(F)F)n[nH]c2=S)c([N+](=O)[O-])cc1OC ZINC000916305495 654090750 /nfs/dbraw/zinc/09/07/50/654090750.db2.gz SUZWXDFGEANLQP-UHFFFAOYSA-N 0 1 377.304 2.393 20 30 GEEDMN C#CC1CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000830321327 654110542 /nfs/dbraw/zinc/11/05/42/654110542.db2.gz GQUOBIDUDJFNFV-UHFFFAOYSA-N 0 1 381.307 2.382 20 30 GEEDMN N#CC[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)C(F)(F)F ZINC000901771794 654148133 /nfs/dbraw/zinc/14/81/33/654148133.db2.gz LYZUFEHTUFQESX-JTQLQIEISA-N 0 1 382.161 2.444 20 30 GEEDMN N#CC[C@@H](NS(=O)(=O)c1c(O)cccc1OC(F)(F)F)C(F)(F)F ZINC000901949327 654156710 /nfs/dbraw/zinc/15/67/10/654156710.db2.gz SICAXLTZDSZRAB-MRVPVSSYSA-N 0 1 378.250 2.414 20 30 GEEDMN C#C[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C1CCOCC1 ZINC000851827924 654185108 /nfs/dbraw/zinc/18/51/08/654185108.db2.gz SVKKIIZBAZXMMN-ZDUSSCGKSA-N 0 1 394.237 2.434 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000870941708 654210478 /nfs/dbraw/zinc/21/04/78/654210478.db2.gz YTCQZWAOCVEMGH-WRWORJQWSA-N 0 1 378.148 2.189 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000803540039 654283297 /nfs/dbraw/zinc/28/32/97/654283297.db2.gz QVGRTYMHBXAVRW-INIZCTEOSA-N 0 1 394.313 2.273 20 30 GEEDMN C[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)N1CCCCC1 ZINC000804961102 654328973 /nfs/dbraw/zinc/32/89/73/654328973.db2.gz IELDXBYNIUGCMV-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000834494405 654329701 /nfs/dbraw/zinc/32/97/01/654329701.db2.gz MTRBMWCYBHTLSD-CBAPKCEASA-N 0 1 383.296 2.475 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)CCCCc1ccc(I)cc1 ZINC000834495738 654330219 /nfs/dbraw/zinc/33/02/19/654330219.db2.gz YSOQMGVRNVIISL-HIFRSBDPSA-N 0 1 397.260 2.232 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C)ccc1Br ZINC000922024379 654356315 /nfs/dbraw/zinc/35/63/15/654356315.db2.gz QCNQKKGXJMVUDD-UHFFFAOYSA-N 0 1 385.327 2.476 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 ZINC000905569712 654366773 /nfs/dbraw/zinc/36/67/73/654366773.db2.gz XIUPYRGRVAYXEU-ZFWWWQNUSA-N 0 1 376.400 2.422 20 30 GEEDMN N#Cc1ccc(Br)c(CN[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c1 ZINC000922135445 654370787 /nfs/dbraw/zinc/37/07/87/654370787.db2.gz RFISOBBUAASEPK-BFYDXBDKSA-N 0 1 378.270 2.237 20 30 GEEDMN CN1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000872663566 654387397 /nfs/dbraw/zinc/38/73/97/654387397.db2.gz KJUOYOPQBMSRQS-HUUCEWRRSA-N 0 1 384.299 2.178 20 30 GEEDMN N#Cc1ccc(NS(=O)(=O)N=S2(=O)CCCC2)cc1Br ZINC000906065841 654412580 /nfs/dbraw/zinc/41/25/80/654412580.db2.gz ZQWBBPDJCMDPLV-UHFFFAOYSA-N 0 1 378.273 2.239 20 30 GEEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3ncc(Br)cc3O)C2)nc1 ZINC000894585820 654488426 /nfs/dbraw/zinc/48/84/26/654488426.db2.gz QIKOIILRTVHAOD-CYBMUJFWSA-N 0 1 375.226 2.470 20 30 GEEDMN CSCc1n[nH]c(CNC(=O)Cc2ccc(Br)cc2C#N)n1 ZINC000894602032 654489743 /nfs/dbraw/zinc/48/97/43/654489743.db2.gz ICOGYKJDTUDKJD-UHFFFAOYSA-N 0 1 380.271 2.161 20 30 GEEDMN CSCc1nnc(CNC(=O)Cc2ccc(Br)cc2C#N)[nH]1 ZINC000894602032 654489745 /nfs/dbraw/zinc/48/97/45/654489745.db2.gz ICOGYKJDTUDKJD-UHFFFAOYSA-N 0 1 380.271 2.161 20 30 GEEDMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907167967 654516881 /nfs/dbraw/zinc/51/68/81/654516881.db2.gz FCZXNKGOUMHDIT-CYBMUJFWSA-N 0 1 386.315 2.426 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2C[C@@H](O)CN2C)s1 ZINC000924978557 654530353 /nfs/dbraw/zinc/53/03/53/654530353.db2.gz WZFUVZCHJWZURB-NWDGAFQWSA-N 0 1 375.947 2.020 20 30 GEEDMN CN1CCC2(CCN2S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000907856438 654583799 /nfs/dbraw/zinc/58/37/99/654583799.db2.gz WPLCJTAKJSWYQE-UHFFFAOYSA-N 0 1 384.299 2.180 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000928654481 654654636 /nfs/dbraw/zinc/65/46/36/654654636.db2.gz DJRQAHCAMGIUCD-UHFFFAOYSA-N 0 1 380.242 2.493 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1Br ZINC000928716997 654656514 /nfs/dbraw/zinc/65/65/14/654656514.db2.gz MNBUFRDVKGLYCT-LBPRGKRZSA-N 0 1 389.257 2.464 20 30 GEEDMN CN(C)[C@@H](CNC(=O)C(=O)N(C)Cc1cc(C#N)cs1)c1cccs1 ZINC000929162413 654674056 /nfs/dbraw/zinc/67/40/56/654674056.db2.gz ZTLWSYIFQNWLKL-AWEZNQCLSA-N 0 1 376.507 2.059 20 30 GEEDMN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NCC#CCN(C)C ZINC000913518255 654797062 /nfs/dbraw/zinc/79/70/62/654797062.db2.gz KFAJEMJPYNZQFI-OAHLLOKOSA-N 0 1 382.551 2.032 20 30 GEEDMN N#Cc1cc(CS(=O)(=O)NCCCN2CCc3ccccc3C2)cs1 ZINC000913905229 654815356 /nfs/dbraw/zinc/81/53/56/654815356.db2.gz IEAQYYAARBIKAM-UHFFFAOYSA-N 0 1 375.519 2.488 20 30 GEEDMN C[C@@](C#N)(NC(=O)CN[C@@](C)(CO)c1cccc(Br)c1)C1CC1 ZINC000934498591 654851403 /nfs/dbraw/zinc/85/14/03/654851403.db2.gz ANVKXYAUOCJTKJ-IRXDYDNUSA-N 0 1 380.286 2.055 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5[nH]c(C#N)cc5n4)C3)O2)CC1 ZINC001164889538 721430710 /nfs/dbraw/zinc/43/07/10/721430710.db2.gz BKKSSIXXJPXVLV-PGRDOPGGSA-N 0 1 394.523 2.200 20 30 GEEDMN N#Cc1ccc([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907317 721532022 /nfs/dbraw/zinc/53/20/22/721532022.db2.gz MXSBXKRMSXTTCZ-WBVHZDCISA-N 0 1 383.383 2.342 20 30 GEEDMN N#Cc1c(Cl)ncnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984766 722106098 /nfs/dbraw/zinc/10/60/98/722106098.db2.gz UXNNFDOZQFBFSH-DOTOQJQBSA-N 0 1 384.871 2.124 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)c1 ZINC000153982160 531616225 /nfs/dbraw/zinc/61/62/25/531616225.db2.gz HIOLKALWSHLNAK-UHFFFAOYSA-N 0 1 398.213 2.360 20 30 GEEDMN C#CCNC(=O)[C@H](C)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155161539 531662148 /nfs/dbraw/zinc/66/21/48/531662148.db2.gz XJKVQDVDHHVLLL-ZDUSSCGKSA-N 0 1 392.297 2.238 20 30 GEEDMN CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157341433 531741133 /nfs/dbraw/zinc/74/11/33/531741133.db2.gz DKTJQQPSGOCTPV-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN CC[C@@H](CC#N)NS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000163501177 531859065 /nfs/dbraw/zinc/85/90/65/531859065.db2.gz KRHRYZCDOQABKW-ZETCQYMHSA-N 0 1 381.273 2.268 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000176752966 532148821 /nfs/dbraw/zinc/14/88/21/532148821.db2.gz ZLCQNIGYCDRTPS-VIFPVBQESA-N 0 1 394.229 2.094 20 30 GEEDMN C#CCCOc1ccc(CNC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000129291904 532176026 /nfs/dbraw/zinc/17/60/26/532176026.db2.gz KUNKHPOCSSLYQC-MRXNPFEDSA-N 0 1 379.503 2.075 20 30 GEEDMN C#CCOc1ccc([C@@H](C)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000181640855 532303559 /nfs/dbraw/zinc/30/35/59/532303559.db2.gz ZAADNBOWWFFORI-ZBFHGGJFSA-N 0 1 379.503 2.246 20 30 GEEDMN CN1C[C@@H]2CCCN(S(=O)(=O)c3cc(Br)ccc3C#N)[C@@H]2C1 ZINC000425216986 532374968 /nfs/dbraw/zinc/37/49/68/532374968.db2.gz SXSCKLFPHXSAIZ-GXTWGEPZSA-N 0 1 384.299 2.035 20 30 GEEDMN CC(C)c1nc(CNS(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000295210264 532419024 /nfs/dbraw/zinc/41/90/24/532419024.db2.gz GJDOJUSUZIWTIJ-UHFFFAOYSA-N 0 1 384.259 2.041 20 30 GEEDMN C=CCNc1ncc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)s1 ZINC000295347394 532436867 /nfs/dbraw/zinc/43/68/67/532436867.db2.gz NYHHMLYICFISOY-NXEZZACHSA-N 0 1 376.404 2.413 20 30 GEEDMN CC(C)(C)N1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000595074340 532541945 /nfs/dbraw/zinc/54/19/45/532541945.db2.gz QRRCGCVCCFUWBM-CYBMUJFWSA-N 0 1 393.285 2.248 20 30 GEEDMN CN(C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000595345489 532557283 /nfs/dbraw/zinc/55/72/83/532557283.db2.gz QDMAZJLHYWYQLE-CQSZACIVSA-N 0 1 386.315 2.426 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CCOc2c(Br)cccc21 ZINC000283573912 532546497 /nfs/dbraw/zinc/54/64/97/532546497.db2.gz QODYOGNWFJSUMT-MFKMUULPSA-N 0 1 382.258 2.263 20 30 GEEDMN Cc1nsc(NC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1C#N ZINC000297398839 532586722 /nfs/dbraw/zinc/58/67/22/532586722.db2.gz KDRUVTIYWQVVFT-UHFFFAOYSA-N 0 1 375.376 2.246 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CCC(CCCN3CCOCC3)CC2)s1 ZINC000435448499 532618721 /nfs/dbraw/zinc/61/87/21/532618721.db2.gz WZFVRNXJOWUGDI-UHFFFAOYSA-N 0 1 383.539 2.133 20 30 GEEDMN Cc1nccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1Cl ZINC000478232691 532656742 /nfs/dbraw/zinc/65/67/42/532656742.db2.gz LLONHZNHVPANSR-UHFFFAOYSA-N 0 1 376.869 2.426 20 30 GEEDMN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)C(C)C#N ZINC000534758605 532671940 /nfs/dbraw/zinc/67/19/40/532671940.db2.gz OIJDNSZMMZDFJT-RNCFNFMXSA-N 0 1 378.226 2.290 20 30 GEEDMN COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccc(OC)c(Cl)c1 ZINC000578684019 532739011 /nfs/dbraw/zinc/73/90/11/532739011.db2.gz MBNNUFMWYBMXBG-CQSZACIVSA-N 0 1 384.797 2.006 20 30 GEEDMN C[C@@](CO)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Br)cc1 ZINC000286594649 532757294 /nfs/dbraw/zinc/75/72/94/532757294.db2.gz QUOXXEQALJGACP-SJORKVTESA-N 0 1 380.286 2.055 20 30 GEEDMN CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NC[C@H]1CN(C)CCN1C ZINC000328679599 532794670 /nfs/dbraw/zinc/79/46/70/532794670.db2.gz NBNPFVWIHMJIGG-SWLSCSKDSA-N 0 1 386.949 2.358 20 30 GEEDMN C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000329681707 532810265 /nfs/dbraw/zinc/81/02/65/532810265.db2.gz SAXJVLCWSNJDQA-TWKFVSLJSA-N 0 1 387.615 2.493 20 30 GEEDMN CN1CCN(C)[C@H](CNC(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000328752938 532797239 /nfs/dbraw/zinc/79/72/39/532797239.db2.gz DDHIENWMTDIRNZ-OAHLLOKOSA-N 0 1 392.301 2.185 20 30 GEEDMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000330670171 532824962 /nfs/dbraw/zinc/82/49/62/532824962.db2.gz LKOPYURMLQMSMR-GFCCVEGCSA-N 0 1 386.315 2.426 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1N1CCCC1 ZINC000332085167 532848400 /nfs/dbraw/zinc/84/84/00/532848400.db2.gz QFUMHZREYMZSLR-LSDHHAIUSA-N 0 1 385.942 2.412 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1N1CCCC1 ZINC000332096287 532849140 /nfs/dbraw/zinc/84/91/40/532849140.db2.gz XIZGQWJITUDCMC-LSDHHAIUSA-N 0 1 385.942 2.412 20 30 GEEDMN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419726725 532882718 /nfs/dbraw/zinc/88/27/18/532882718.db2.gz HUDVFWHWACKVNZ-CYBMUJFWSA-N 0 1 393.285 2.200 20 30 GEEDMN C=CCCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1 ZINC000735416355 598894480 /nfs/dbraw/zinc/89/44/80/598894480.db2.gz HEPPCIPZOUJTGW-UHFFFAOYSA-N 0 1 375.332 2.198 20 30 GEEDMN CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821181275 607322578 /nfs/dbraw/zinc/32/25/78/607322578.db2.gz LCKMODRQTXVTFO-CQSZACIVSA-N 0 1 396.451 2.449 20 30 GEEDMN C=C(C)CN(CC)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000735399995 598720590 /nfs/dbraw/zinc/72/05/90/598720590.db2.gz ZNMKUZIBVCOKHB-UHFFFAOYSA-N 0 1 386.843 2.260 20 30 GEEDMN C#CCN(CC#CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000819697895 599640725 /nfs/dbraw/zinc/64/07/25/599640725.db2.gz NYZADSGOJDQVAQ-UHFFFAOYSA-N 0 1 382.493 2.094 20 30 GEEDMN COc1cccc(C(=O)N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738084017 600566475 /nfs/dbraw/zinc/56/64/75/600566475.db2.gz RYHBCMUYCBQLJP-LJQANCHMSA-N 0 1 379.416 2.151 20 30 GEEDMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000827375268 601101287 /nfs/dbraw/zinc/10/12/87/601101287.db2.gz SFKZBQSDGWWYKD-OAHLLOKOSA-N 0 1 397.431 2.351 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849976 601517983 /nfs/dbraw/zinc/51/79/83/601517983.db2.gz VHYBSGFRNIFLLR-SJKOYZFVSA-N 0 1 384.436 2.209 20 30 GEEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](CC(=O)[O-])C3)sc2C1 ZINC000828309503 601572232 /nfs/dbraw/zinc/57/22/32/601572232.db2.gz DMPAZFHXERWNNO-QWHCGFSZSA-N 0 1 391.493 2.249 20 30 GEEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](CC(=O)[O-])C3)sc2C1 ZINC000828309503 601572235 /nfs/dbraw/zinc/57/22/35/601572235.db2.gz DMPAZFHXERWNNO-QWHCGFSZSA-N 0 1 391.493 2.249 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739978214 602531121 /nfs/dbraw/zinc/53/11/21/602531121.db2.gz SOUQDICTDUURTI-CVEARBPZSA-N 0 1 388.468 2.262 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739978214 602531122 /nfs/dbraw/zinc/53/11/22/602531122.db2.gz SOUQDICTDUURTI-CVEARBPZSA-N 0 1 388.468 2.262 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739509239 602792460 /nfs/dbraw/zinc/79/24/60/602792460.db2.gz XXJOEIJUNGZSFP-YJBOKZPZSA-N 0 1 388.468 2.310 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739509239 602792461 /nfs/dbraw/zinc/79/24/61/602792461.db2.gz XXJOEIJUNGZSFP-YJBOKZPZSA-N 0 1 388.468 2.310 20 30 GEEDMN CC1=C(C(=O)[O-])C[C@@H](C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)O1 ZINC000833581748 604834608 /nfs/dbraw/zinc/83/46/08/604834608.db2.gz ZICPCSVLWRUNJP-ZDUSSCGKSA-N 0 1 384.392 2.076 20 30 GEEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000833628115 605190293 /nfs/dbraw/zinc/19/02/93/605190293.db2.gz BKXXQGNJDHOEAM-ZDUSSCGKSA-N 0 1 378.860 2.021 20 30 GEEDMN C[C@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000833628115 605190298 /nfs/dbraw/zinc/19/02/98/605190298.db2.gz BKXXQGNJDHOEAM-ZDUSSCGKSA-N 0 1 378.860 2.021 20 30 GEEDMN C[C@H]1CN(CCC(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000833628115 605190303 /nfs/dbraw/zinc/19/03/03/605190303.db2.gz BKXXQGNJDHOEAM-ZDUSSCGKSA-N 0 1 378.860 2.021 20 30 GEEDMN C[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC[N@@H+]1CCC(=O)[O-] ZINC000833619331 605251765 /nfs/dbraw/zinc/25/17/65/605251765.db2.gz CJCCLASOJWNAGN-HNNXBMFYSA-N 0 1 397.431 2.351 20 30 GEEDMN C[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC[N@H+]1CCC(=O)[O-] ZINC000833619331 605251769 /nfs/dbraw/zinc/25/17/69/605251769.db2.gz CJCCLASOJWNAGN-HNNXBMFYSA-N 0 1 397.431 2.351 20 30 GEEDMN Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1 ZINC000833923506 605322327 /nfs/dbraw/zinc/32/23/27/605322327.db2.gz ZXINMOOPRDEVTJ-RCCFBDPRSA-N 0 1 380.452 2.451 20 30 GEEDMN N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000833967579 605370785 /nfs/dbraw/zinc/37/07/85/605370785.db2.gz RMSIEDHXAZJLOX-NVXWUHKLSA-N 0 1 385.468 2.208 20 30 GEEDMN O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000834025582 605518602 /nfs/dbraw/zinc/51/86/02/605518602.db2.gz FLKICIMSOOBTHW-PKOBYXMFSA-N 0 1 387.455 2.148 20 30 GEEDMN N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833974631 605521241 /nfs/dbraw/zinc/52/12/41/605521241.db2.gz URBUKBYHTOIBOV-KSSFIOAISA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833974631 605521244 /nfs/dbraw/zinc/52/12/44/605521244.db2.gz URBUKBYHTOIBOV-KSSFIOAISA-N 0 1 388.443 2.168 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1 ZINC000826323078 607887104 /nfs/dbraw/zinc/88/71/04/607887104.db2.gz OVLASBQQAQZJNI-NSHDSACASA-N 0 1 376.421 2.208 20 30 GEEDMN Cc1nc(N(C)C)sc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000826326833 607887694 /nfs/dbraw/zinc/88/76/94/607887694.db2.gz GSKNUPGOEGIPMG-UHFFFAOYSA-N 0 1 375.462 2.429 20 30 GEEDMN C=CC[N@@H+](CC(=O)[N-]OCc1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903776 608225152 /nfs/dbraw/zinc/22/51/52/608225152.db2.gz KIQIHPPBEVUXLR-UHFFFAOYSA-N 0 1 378.436 2.103 20 30 GEEDMN CSc1[nH]c(=O)c(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1-c1nn[nH]n1 ZINC000826229990 609264082 /nfs/dbraw/zinc/26/40/82/609264082.db2.gz ZHWNBPMKFUHNCU-SECBINFHSA-N 0 1 397.420 2.232 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)N1CCN(CC2CC2)CC1 ZINC000449793336 650050513 /nfs/dbraw/zinc/05/05/13/650050513.db2.gz BYCFOSRBMKXNTM-UHFFFAOYSA-N 0 1 378.270 2.254 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000449803546 650050920 /nfs/dbraw/zinc/05/09/20/650050920.db2.gz ONWPMWMDSIOSTD-CYBMUJFWSA-N 0 1 378.270 2.396 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)[N-]CCC[NH+]2CCCC2)cc1Br ZINC000451000357 650078926 /nfs/dbraw/zinc/07/89/26/650078926.db2.gz NQEVFZHAVMJXEM-UHFFFAOYSA-N 0 1 390.278 2.224 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCCOC(F)(F)F)cc1Br ZINC000451450509 650115243 /nfs/dbraw/zinc/11/52/43/650115243.db2.gz IPVVZTRLIGGEGL-UHFFFAOYSA-N 0 1 391.140 2.275 20 30 GEEDMN C=CCC[C@H](NS(=O)(=O)c1nc(C)c(Br)s1)C(=O)OCC ZINC000452002200 650164224 /nfs/dbraw/zinc/16/42/24/650164224.db2.gz XOSHOVCZQDYNHE-VIFPVBQESA-N 0 1 397.316 2.390 20 30 GEEDMN C=CCC[C@@H](NS(=O)(=O)c1nc(C)c(Br)s1)C(=O)OCC ZINC000452002196 650164285 /nfs/dbraw/zinc/16/42/85/650164285.db2.gz XOSHOVCZQDYNHE-SECBINFHSA-N 0 1 397.316 2.390 20 30 GEEDMN CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502493927 650407317 /nfs/dbraw/zinc/40/73/17/650407317.db2.gz VVOORNOBXSRWSU-UHFFFAOYSA-N 0 1 385.854 2.384 20 30 GEEDMN C=CCn1c(SCC2=Nc3ccccc3S(=O)(=O)N2)nnc1C1CC1 ZINC000508525273 650481777 /nfs/dbraw/zinc/48/17/77/650481777.db2.gz DQEOEFKKBVZUJK-UHFFFAOYSA-N 0 1 375.479 2.456 20 30 GEEDMN C[C@@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000486020508 650705165 /nfs/dbraw/zinc/70/51/65/650705165.db2.gz ZBJIXWOZFHCBQD-LBPRGKRZSA-N 0 1 375.431 2.045 20 30 GEEDMN Cc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1S(=O)(=O)NCC#N ZINC000534700603 650780022 /nfs/dbraw/zinc/78/00/22/650780022.db2.gz NLKIBXLVYJLAGY-UHFFFAOYSA-N 0 1 379.825 2.408 20 30 GEEDMN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1csc(N(CC)C(C)=O)n1 ZINC000067029075 642959490 /nfs/dbraw/zinc/95/94/90/642959490.db2.gz MZQNWKAGRAQDFG-ZDUSSCGKSA-N 0 1 380.495 2.038 20 30 GEEDMN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@H]2CC2(Cl)Cl)cc1OC ZINC000105263371 643201942 /nfs/dbraw/zinc/20/19/42/643201942.db2.gz SDFZPPCSKPLQKN-VXGBXAGGSA-N 0 1 385.247 2.265 20 30 GEEDMN COc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cc1C#N ZINC000127838490 643787553 /nfs/dbraw/zinc/78/75/53/643787553.db2.gz VSIIXGNTXHEQRN-UHFFFAOYSA-N 0 1 385.898 2.350 20 30 GEEDMN C=CCOc1c(Br)cc(CN2CCN(CCO)CC2)cc1OC ZINC000156506577 644099566 /nfs/dbraw/zinc/09/95/66/644099566.db2.gz LOQUSKWKRYEKSF-UHFFFAOYSA-N 0 1 385.302 2.132 20 30 GEEDMN CC1=CCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000499752497 650892307 /nfs/dbraw/zinc/89/23/07/650892307.db2.gz WRCJXTWLPNXIRC-UHFFFAOYSA-N 0 1 391.269 2.027 20 30 GEEDMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171087149 644307303 /nfs/dbraw/zinc/30/73/03/644307303.db2.gz RPDHVLKDUBHXLW-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN C#CCOc1ccc(Br)cc1CNCC1(CS(C)(=O)=O)CC1 ZINC000174939483 644384300 /nfs/dbraw/zinc/38/43/00/644384300.db2.gz QMKHHZWZFOBISC-UHFFFAOYSA-N 0 1 386.311 2.376 20 30 GEEDMN CC[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1 ZINC000183182993 644984855 /nfs/dbraw/zinc/98/48/55/644984855.db2.gz UWNBIBIDRNFKRS-HOTGVXAUSA-N 0 1 378.567 2.284 20 30 GEEDMN C[C@@H]1SCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]1C ZINC000245839711 645470221 /nfs/dbraw/zinc/47/02/21/645470221.db2.gz JMQWOQWPOQRGMD-HRCADAONSA-N 0 1 378.567 2.283 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1N1CCCC1 ZINC000275487727 646356961 /nfs/dbraw/zinc/35/69/61/646356961.db2.gz ORIGRSZJIAZQOU-LSDHHAIUSA-N 0 1 385.942 2.412 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCCOCC(F)(F)C(F)F)c(F)c1 ZINC000277529627 646437636 /nfs/dbraw/zinc/43/76/36/646437636.db2.gz UVAKTOCGZXFVFB-UHFFFAOYSA-N 0 1 376.278 2.032 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NC2CCN(c3nccs3)CC2)c(F)c1 ZINC000281480977 646773927 /nfs/dbraw/zinc/77/39/27/646773927.db2.gz JRWSTMSZATWPDJ-UHFFFAOYSA-N 0 1 384.433 2.240 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000296150647 647245779 /nfs/dbraw/zinc/24/57/79/647245779.db2.gz JTGLEYJYOHXYHZ-GFCCVEGCSA-N 0 1 396.270 2.355 20 30 GEEDMN C[C@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)c2ccsc2S1(=O)=O ZINC000329650128 647322379 /nfs/dbraw/zinc/32/23/79/647322379.db2.gz JUAOJKDMONGKPZ-LOWVWBTDSA-N 0 1 380.495 2.070 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1N(C)C ZINC000330578694 647346361 /nfs/dbraw/zinc/34/63/61/647346361.db2.gz JNOBEMMJEZZOCG-QWHCGFSZSA-N 0 1 393.456 2.243 20 30 GEEDMN COc1ccc(NC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000330711360 647347889 /nfs/dbraw/zinc/34/78/89/647347889.db2.gz UUMGZSQFDUMMOX-NEPJUHHUSA-N 0 1 386.290 2.390 20 30 GEEDMN C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccnc2C#N)[C@@H]1c1cccs1 ZINC000366786354 647704409 /nfs/dbraw/zinc/70/44/09/647704409.db2.gz FIUFRWZERBXZCR-SUMWQHHRSA-N 0 1 376.507 2.376 20 30 GEEDMN CN1CCC[C@@H](CNS(=O)(=O)c2cccnc2C#N)[C@@H]1c1cccs1 ZINC000366786354 647704413 /nfs/dbraw/zinc/70/44/13/647704413.db2.gz FIUFRWZERBXZCR-SUMWQHHRSA-N 0 1 376.507 2.376 20 30 GEEDMN CN1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@H]21 ZINC000369629372 647780605 /nfs/dbraw/zinc/78/06/05/647780605.db2.gz MFNOAZKLMMEVIX-IAQYHMDHSA-N 0 1 384.299 2.035 20 30 GEEDMN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)CCN1C ZINC000416410904 648116253 /nfs/dbraw/zinc/11/62/53/648116253.db2.gz YHKYRANFSVVAOZ-FZMZJTMJSA-N 0 1 386.315 2.424 20 30 GEEDMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416466903 648134711 /nfs/dbraw/zinc/13/47/11/648134711.db2.gz SNZNSPPYQZLDMR-CQSZACIVSA-N 0 1 386.315 2.472 20 30 GEEDMN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000425509153 648682597 /nfs/dbraw/zinc/68/25/97/648682597.db2.gz KIMAUWLRPXGJDF-VBNZEHGJSA-N 0 1 395.297 2.328 20 30 GEEDMN Cc1c(NC(=O)C(=O)N[C@@H]2CCCN(C)[C@@H]2C)ccc(Br)c1C#N ZINC000425740696 648693035 /nfs/dbraw/zinc/69/30/35/648693035.db2.gz ISIXNQMEYDXNKB-IAQYHMDHSA-N 0 1 393.285 2.167 20 30 GEEDMN COC(=O)CCN1CCN(Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553879192 651192342 /nfs/dbraw/zinc/19/23/42/651192342.db2.gz UNKVSRNUGRMANK-CYBMUJFWSA-N 0 1 380.286 2.390 20 30 GEEDMN COc1ccc(Br)c(CS(=O)(=O)Nc2c(C#N)cnn2C)c1 ZINC000558590325 651282686 /nfs/dbraw/zinc/28/26/86/651282686.db2.gz NEBALXHNTYFBRS-UHFFFAOYSA-N 0 1 385.243 2.005 20 30 GEEDMN C[C@@H]1CCCN(CCNS(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000559639890 651299945 /nfs/dbraw/zinc/29/99/45/651299945.db2.gz QQZQMNMISKVCCP-GFCCVEGCSA-N 0 1 386.315 2.331 20 30 GEEDMN COC(=O)CCCN1CCC(=NNC(=S)NCCc2cccs2)CC1 ZINC000727061654 651509956 /nfs/dbraw/zinc/50/99/56/651509956.db2.gz MHXKNFXJNBMRII-UHFFFAOYSA-N 0 1 382.555 2.160 20 30 GEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(N)=O)s2)cc1Cl ZINC000728147520 651538739 /nfs/dbraw/zinc/53/87/39/651538739.db2.gz HTHCFGQBKKCIAF-SECBINFHSA-N 0 1 377.809 2.470 20 30 GEEDMN Cc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1I ZINC000609076626 651609938 /nfs/dbraw/zinc/60/99/38/651609938.db2.gz IZVDQDVTHRJIAN-UHFFFAOYSA-N 0 1 383.233 2.317 20 30 GEEDMN CNC(=O)CCCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000569985849 651738285 /nfs/dbraw/zinc/73/82/85/651738285.db2.gz UGGGAKLVUCEKCA-INIZCTEOSA-N 0 1 379.302 2.158 20 30 GEEDMN CN(C)S(=O)(=O)c1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)n(C)c1 ZINC000647378833 651745195 /nfs/dbraw/zinc/74/51/95/651745195.db2.gz CVJXDBPBIVQTFC-LBPRGKRZSA-N 0 1 378.479 2.099 20 30 GEEDMN CCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1 ZINC000572876004 651918820 /nfs/dbraw/zinc/91/88/20/651918820.db2.gz LHQHDGONMYILPG-UHFFFAOYSA-N 0 1 379.463 2.047 20 30 GEEDMN C#CCOc1cc(F)ccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000741658455 651955100 /nfs/dbraw/zinc/95/51/00/651955100.db2.gz YAPUEORWNPWWEX-UHFFFAOYSA-N 0 1 383.422 2.042 20 30 GEEDMN CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000574034679 651996481 /nfs/dbraw/zinc/99/64/81/651996481.db2.gz GNZLSAQVCHICMT-UHFFFAOYSA-N 0 1 393.245 2.599 20 30 GEEDMN C#CCOCCC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000755697940 652472757 /nfs/dbraw/zinc/47/27/57/652472757.db2.gz AGXOCBDMAFRLAG-UHFFFAOYSA-N 0 1 380.286 2.179 20 30 GEEDMN N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccncn1 ZINC000760337740 652604163 /nfs/dbraw/zinc/60/41/63/652604163.db2.gz BDVGMBDIAZSCNW-BXUZGUMPSA-N 0 1 385.221 2.468 20 30 GEEDMN N#CC[C@@]1(O)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000592837015 652604213 /nfs/dbraw/zinc/60/42/13/652604213.db2.gz HIHBOVAKNBVELY-MRXNPFEDSA-N 0 1 375.226 2.330 20 30 GEEDMN C[C@H]1CN(CCCNC(=O)Cc2ccc(Br)cc2C#N)C[C@H](C)O1 ZINC000593395499 652619745 /nfs/dbraw/zinc/61/97/45/652619745.db2.gz XNPOTDVJBVSXNY-KBPBESRZSA-N 0 1 394.313 2.479 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594387486 652646661 /nfs/dbraw/zinc/64/66/61/652646661.db2.gz WXQCQNIZZVEODA-CYBMUJFWSA-N 0 1 390.241 2.149 20 30 GEEDMN CN1C(=O)CN(N=Cc2cc(Br)cc(Br)c2O)C1=O ZINC000768386256 653112358 /nfs/dbraw/zinc/11/23/58/653112358.db2.gz WAYDDUKZHYGGSN-UHFFFAOYSA-N 0 1 391.019 2.145 20 30 GEEDMN C#C[C@@H](CCC)NS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000770393568 653211238 /nfs/dbraw/zinc/21/12/38/653211238.db2.gz PKLAYSFWVDRGBX-QMMMGPOBSA-N 0 1 380.285 2.377 20 30 GEEDMN Cc1nsc(N2CCN(C(=O)c3n[nH]c(C)c3Br)CC2)c1C#N ZINC000812272142 653419204 /nfs/dbraw/zinc/41/92/04/653419204.db2.gz DZCRFCCZFOGLRM-UHFFFAOYSA-N 0 1 395.286 2.080 20 30 GEEDMN C=C(Cl)C[C@H](N)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC ZINC000876636944 653440159 /nfs/dbraw/zinc/44/01/59/653440159.db2.gz NRXSEFMIWQPMPA-VIFPVBQESA-N 0 1 386.779 2.397 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1scc(Br)c1Br ZINC000876801881 653448724 /nfs/dbraw/zinc/44/87/24/653448724.db2.gz KBOHUTJUCKLEAB-CAHLUQPWSA-N 0 1 379.077 2.114 20 30 GEEDMN Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)c(I)cc1Cl ZINC000876801376 653448752 /nfs/dbraw/zinc/44/87/52/653448752.db2.gz BSBUPMRQELXQPZ-PELKAZGASA-N 0 1 389.624 2.094 20 30 GEEDMN C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000859425173 653462697 /nfs/dbraw/zinc/46/26/97/653462697.db2.gz ZSGWDNHETPIXEZ-VIFPVBQESA-N 0 1 382.226 2.434 20 30 GEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCc1ncc(Br)s1 ZINC000877267186 653474205 /nfs/dbraw/zinc/47/42/05/653474205.db2.gz ZGBGFSNRWNHXMJ-CQSZACIVSA-N 0 1 377.267 2.280 20 30 GEEDMN CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2cc(C#N)cnc2Cl)CC1 ZINC000877535910 653611286 /nfs/dbraw/zinc/61/12/86/653611286.db2.gz UIWHMVCOKPVZKB-ZDUSSCGKSA-N 0 1 384.933 2.489 20 30 GEEDMN C[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)N1CCCCC1 ZINC000780721246 653631613 /nfs/dbraw/zinc/63/16/13/653631613.db2.gz YQGBGNNSYZJZSY-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN COc1ccc2c(c1)C(N=Nc1ccc(S(N)(=O)=O)cn1)CCCS2 ZINC000814798245 653639508 /nfs/dbraw/zinc/63/95/08/653639508.db2.gz GFLRWQGYMROCBE-UHFFFAOYSA-N 0 1 378.479 2.440 20 30 GEEDMN C#CCNC(=O)CCN1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000815054475 653648632 /nfs/dbraw/zinc/64/86/32/653648632.db2.gz KZZYJKJPVODHEF-HNNXBMFYSA-N 0 1 378.314 2.267 20 30 GEEDMN CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000863132906 653702646 /nfs/dbraw/zinc/70/26/46/653702646.db2.gz GSVYDRNFCSDAHD-SECBINFHSA-N 0 1 379.251 2.185 20 30 GEEDMN Cc1cc(C(=O)N[C@H]2CNC[C@H]2C#N)c(C)n1-c1ccc(Br)cn1 ZINC000843460362 653787368 /nfs/dbraw/zinc/78/73/68/653787368.db2.gz OAKLNYWTPMXBFG-DOMZBBRYSA-N 0 1 388.269 2.093 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000844194055 653802988 /nfs/dbraw/zinc/80/29/88/653802988.db2.gz VTYJDYDHHWYWFH-FZMZJTMJSA-N 0 1 391.294 2.343 20 30 GEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(C)c2Br)cc1 ZINC000791773804 653823703 /nfs/dbraw/zinc/82/37/03/653823703.db2.gz PJRSHXJMVKNLPQ-LLVKDONJSA-N 0 1 377.198 2.152 20 30 GEEDMN C[C@H]1CN(CCCNC(=O)Nc2ccc(Br)c(C#N)n2)C[C@H](C)O1 ZINC000883077799 653824909 /nfs/dbraw/zinc/82/49/09/653824909.db2.gz WLBZJIAXIMPWBX-RYUDHWBXSA-N 0 1 396.289 2.337 20 30 GEEDMN CC[C@H](CC#N)NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000867108318 653879914 /nfs/dbraw/zinc/87/99/14/653879914.db2.gz MYTOMGSEGMKLDC-GIPWTMENSA-N 0 1 394.316 2.432 20 30 GEEDMN C=C(Cl)C[C@H](NS(=O)(=O)Cc1cc(C(C)(C)C)on1)C(=O)OCC ZINC000867592212 653957935 /nfs/dbraw/zinc/95/79/35/653957935.db2.gz UZXAJLXCAJABDT-LBPRGKRZSA-N 0 1 378.878 2.466 20 30 GEEDMN C=CCOc1c(Cl)cc(CNCC2(S(=O)(=O)N(C)C)CC2)cc1OC ZINC000886319466 653978197 /nfs/dbraw/zinc/97/81/97/653978197.db2.gz FRDURVLNZMRVMO-UHFFFAOYSA-N 0 1 388.917 2.427 20 30 GEEDMN C#CCN1CCC[C@H](N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000886662707 653994300 /nfs/dbraw/zinc/99/43/00/653994300.db2.gz KGVQRULRMWPJJI-HOCLYGCPSA-N 0 1 397.338 2.355 20 30 GEEDMN COc1cccc(N=NC(C)c2ccc(Br)c(S(N)(=O)=O)c2)n1 ZINC000797403788 654030106 /nfs/dbraw/zinc/03/01/06/654030106.db2.gz ZDJVEUQDVXKIGT-UHFFFAOYSA-N 0 1 399.270 2.336 20 30 GEEDMN N#Cc1ccc([C@H]2CN(C(=O)CSc3n[nH]c(=S)s3)CCO2)cc1 ZINC000887731157 654046578 /nfs/dbraw/zinc/04/65/78/654046578.db2.gz KGBINNATHCXENS-GFCCVEGCSA-N 0 1 378.504 2.391 20 30 GEEDMN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900576622 654070759 /nfs/dbraw/zinc/07/07/59/654070759.db2.gz FSEZQWAQIIUKJH-MRXNPFEDSA-N 0 1 388.269 2.124 20 30 GEEDMN C=CCC[C@H](CO)NS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000916153392 654085856 /nfs/dbraw/zinc/08/58/56/654085856.db2.gz FKLZFLQMCKLHGZ-BGJPBQGDSA-N 0 1 386.417 2.195 20 30 GEEDMN C=C(C)COC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br ZINC000916602023 654101306 /nfs/dbraw/zinc/10/13/06/654101306.db2.gz OWGNWUGPSYTJFT-UHFFFAOYSA-N 0 1 384.198 2.125 20 30 GEEDMN COCCCNC(=O)[C@@H](C#N)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000916871745 654110349 /nfs/dbraw/zinc/11/03/49/654110349.db2.gz XFAHRHQRCOAFIP-AWEZNQCLSA-N 0 1 393.237 2.086 20 30 GEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2cc(C(N)=O)cs2)cc1Cl ZINC000920111098 654203235 /nfs/dbraw/zinc/20/32/35/654203235.db2.gz JBVPZRUYVSMTMM-SNVBAGLBSA-N 0 1 377.809 2.470 20 30 GEEDMN C=CCNC(=O)NC(=O)CN1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920762953 654220658 /nfs/dbraw/zinc/22/06/58/654220658.db2.gz ZFKRKFPIKFMOAL-HNNXBMFYSA-N 0 1 380.286 2.468 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000834488194 654329466 /nfs/dbraw/zinc/32/94/66/654329466.db2.gz AIVOWNQDIGGSTK-ABAIWWIYSA-N 0 1 390.237 2.462 20 30 GEEDMN CCc1c(C(=O)N[C@@H]2CNC[C@H]2C#N)cnn1-c1ccc(Br)cc1 ZINC000834489673 654329670 /nfs/dbraw/zinc/32/96/70/654329670.db2.gz OODDQFIIMGTVRT-IAQYHMDHSA-N 0 1 388.269 2.039 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(Br)sc1Br ZINC000834489740 654329795 /nfs/dbraw/zinc/32/97/95/654329795.db2.gz OVQWDJUFJULCKG-IYSWYEEDSA-N 0 1 379.077 2.114 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000834490306 654329835 /nfs/dbraw/zinc/32/98/35/654329835.db2.gz UDFXVDYOZJSUBU-SFYZADRCSA-N 0 1 383.296 2.475 20 30 GEEDMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H]1CNC[C@H]1C#N ZINC000834505673 654330956 /nfs/dbraw/zinc/33/09/56/654330956.db2.gz MQOWDSKMCQAIIS-OCCSQVGLSA-N 0 1 378.263 2.388 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(C)c1Br ZINC000922024370 654356370 /nfs/dbraw/zinc/35/63/70/654356370.db2.gz PVTGFXPIBPUVIY-UHFFFAOYSA-N 0 1 385.327 2.476 20 30 GEEDMN CC(C)N1CCO[C@H](COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000835298779 654378562 /nfs/dbraw/zinc/37/85/62/654378562.db2.gz WUZMZJQKTOMWLH-ZDUSSCGKSA-N 0 1 397.269 2.352 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)nc1 ZINC000906887847 654483355 /nfs/dbraw/zinc/48/33/55/654483355.db2.gz VYGNFIRIRGECHI-HNNXBMFYSA-N 0 1 376.507 2.205 20 30 GEEDMN C#CC[N@@H+](C)CCCNC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909037765 654650541 /nfs/dbraw/zinc/65/05/41/654650541.db2.gz MJDDEHZCWGRNBX-HNNXBMFYSA-N 0 1 386.279 2.243 20 30 GEEDMN C#CCN1CCC(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000928659505 654655143 /nfs/dbraw/zinc/65/51/43/654655143.db2.gz OSYSTOGPHXGSRT-MRXNPFEDSA-N 0 1 377.897 2.357 20 30 GEEDMN N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(Br)[nH]n3)C2)nc1 ZINC000928719557 654656586 /nfs/dbraw/zinc/65/65/86/654656586.db2.gz DPNIJVQYRJERGC-LLVKDONJSA-N 0 1 375.230 2.156 20 30 GEEDMN CN(C)[C@H](CNC(=O)C(=O)N(C)Cc1cc(C#N)cs1)c1cccs1 ZINC000929162417 654674037 /nfs/dbraw/zinc/67/40/37/654674037.db2.gz ZTLWSYIFQNWLKL-CQSZACIVSA-N 0 1 376.507 2.059 20 30 GEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932811249 654791571 /nfs/dbraw/zinc/79/15/71/654791571.db2.gz IFJNYHLMLPNAJQ-KBXCAEBGSA-N 0 1 394.313 2.493 20 30 GEEDMN CN(C)CC#CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000913516867 654796983 /nfs/dbraw/zinc/79/69/83/654796983.db2.gz JVXHNRXCVXKIMT-MRXNPFEDSA-N 0 1 382.291 2.279 20 30 GEEDMN C#CCC1(NCCS(=O)(=O)c2ccccc2S(=O)(=O)CCC)CCC1 ZINC000933297193 654806802 /nfs/dbraw/zinc/80/68/02/654806802.db2.gz YZJZFGBEOUGIAM-UHFFFAOYSA-N 0 1 383.535 2.180 20 30 GEEDMN C=CC[NH+]1CCC(NS(=O)(=O)c2c([O-])cccc2OC(F)(F)F)CC1 ZINC000914071119 654824661 /nfs/dbraw/zinc/82/46/61/654824661.db2.gz GDHISJXIOWQUOD-UHFFFAOYSA-N 0 1 380.388 2.220 20 30 GEEDMN C#CCSCCNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914168311 654831367 /nfs/dbraw/zinc/83/13/67/654831367.db2.gz JDTBTFYXDOSQAI-JOCHJYFZSA-N 0 1 386.442 2.234 20 30 GEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934498876 654851497 /nfs/dbraw/zinc/85/14/97/654851497.db2.gz HGQUXBAURGZGTB-SJORKVTESA-N 0 1 382.302 2.301 20 30 GEEDMN CC(C)(C#N)C[C@@H](O)CN[C@H](CO)c1ccccc1I ZINC000934827637 654861971 /nfs/dbraw/zinc/86/19/71/654861971.db2.gz YEIBJVIKBFPDIB-BXUZGUMPSA-N 0 1 388.249 2.215 20 30 GEEDMN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N=NCc3csnn3)nc2)C1 ZINC000915949326 654883071 /nfs/dbraw/zinc/88/30/71/654883071.db2.gz HDLVCZNNSTWIOV-TXEJJXNPSA-N 0 1 380.499 2.046 20 30 GEEDMN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N=NCc3csnn3)nc2)C1 ZINC000915949327 654883290 /nfs/dbraw/zinc/88/32/90/654883290.db2.gz HDLVCZNNSTWIOV-VXGBXAGGSA-N 0 1 380.499 2.046 20 30 GEEDMN C=CCN1C(=O)CC[C@@]12CCCN(c1ccc(N3CCN(C)CC3)nn1)[C@@H]2CC ZINC001164699228 719820879 /nfs/dbraw/zinc/82/08/79/719820879.db2.gz GXZSZYKNUOHNPI-XMSQKQJNSA-N 0 1 398.555 2.154 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(C#N)cc4Cl)C3)O2)CC1 ZINC001164890986 721386152 /nfs/dbraw/zinc/38/61/52/721386152.db2.gz PZBBVCAYJXEVHN-FXAWDEMLSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)cc(C#N)n4)C3)O2)CC1 ZINC001164887693 721403935 /nfs/dbraw/zinc/40/39/35/721403935.db2.gz MJQDKWNNCWWJQL-UYAOXDASSA-N 0 1 389.931 2.372 20 30 GEEDMN COc1cc(C#N)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164798561 721558238 /nfs/dbraw/zinc/55/82/38/721558238.db2.gz BLCPYPQAWOCBRU-DYXWJJEUSA-N 0 1 379.464 2.225 20 30 GEEDMN N#Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(C#N)c1 ZINC001164964617 722054423 /nfs/dbraw/zinc/05/44/23/722054423.db2.gz WBNWKZNPKDSQDH-UHFFFAOYSA-N 0 1 388.475 2.339 20 30 GEEDMN C=CCOc1cc(C)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979061 722120007 /nfs/dbraw/zinc/12/00/07/722120007.db2.gz OUSUYZROBLHGPB-VQTJNVASSA-N 0 1 395.507 2.472 20 30 GEEDMN CC(C)OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000124451891 532122263 /nfs/dbraw/zinc/12/22/63/532122263.db2.gz VQZRAZYZAWEXPM-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000560078002 532412819 /nfs/dbraw/zinc/41/28/19/532412819.db2.gz YUCXCBOKELUPCN-UHFFFAOYSA-N 0 1 376.207 2.045 20 30 GEEDMN CS(=O)(=O)c1c(F)cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cc1F ZINC000427203417 532415370 /nfs/dbraw/zinc/41/53/70/532415370.db2.gz GYZQCNTZXIWOLY-UHFFFAOYSA-N 0 1 390.364 2.180 20 30 GEEDMN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)C1 ZINC000625349976 532419542 /nfs/dbraw/zinc/41/95/42/532419542.db2.gz IPLBZQZRECSTJM-CYBMUJFWSA-N 0 1 388.511 2.044 20 30 GEEDMN CN1CCC[C@H](CNS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1cccs1 ZINC000518843018 532447436 /nfs/dbraw/zinc/44/74/36/532447436.db2.gz QDFOINXITSDNBN-RHSMWYFYSA-N 0 1 376.507 2.376 20 30 GEEDMN C[C@@H]1CN(CC2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000373818102 532472810 /nfs/dbraw/zinc/47/28/10/532472810.db2.gz DSJJDRJDGCIAEA-OKILXGFUSA-N 0 1 383.539 2.130 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2ccc(F)cc2I)CC1 ZINC000221990201 532485851 /nfs/dbraw/zinc/48/58/51/532485851.db2.gz WXEXXGHYHBLCDY-UHFFFAOYSA-N 0 1 387.196 2.148 20 30 GEEDMN CN1CCC(C#N)(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000520292867 532488208 /nfs/dbraw/zinc/48/82/08/532488208.db2.gz NTRSZZWEXQBSMM-AWEZNQCLSA-N 0 1 378.885 2.247 20 30 GEEDMN C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN1CC(C)(C)O ZINC000593638312 532491634 /nfs/dbraw/zinc/49/16/34/532491634.db2.gz QQJLWVJOISKYMP-CYBMUJFWSA-N 0 1 394.313 2.167 20 30 GEEDMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 ZINC000432778700 532545344 /nfs/dbraw/zinc/54/53/44/532545344.db2.gz ZXWNHJMAQJYUFD-UHFFFAOYSA-N 0 1 396.222 2.303 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCOc2c(Br)cccc21 ZINC000283573915 532546113 /nfs/dbraw/zinc/54/61/13/532546113.db2.gz QODYOGNWFJSUMT-ZWNOBZJWSA-N 0 1 382.258 2.263 20 30 GEEDMN C#CCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000263723751 532637907 /nfs/dbraw/zinc/63/79/07/532637907.db2.gz OYHMORPFEZDASS-CYBMUJFWSA-N 0 1 392.297 2.238 20 30 GEEDMN CN1C(=O)c2ccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)cc2C1=O ZINC000392701294 532708051 /nfs/dbraw/zinc/70/80/51/532708051.db2.gz MVYLVEGIKOTVAM-UHFFFAOYSA-N 0 1 375.793 2.238 20 30 GEEDMN CN(C)[C@@]1(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCSC1 ZINC000267157641 532735028 /nfs/dbraw/zinc/73/50/28/532735028.db2.gz IUMFVGVBIWUJCU-CQSZACIVSA-N 0 1 393.456 2.293 20 30 GEEDMN C=CCS(=O)(=O)CCNCc1cc(Br)c2c(c1)OCCCO2 ZINC000272862252 532818658 /nfs/dbraw/zinc/81/86/58/532818658.db2.gz QOOFHLYNTURKDM-UHFFFAOYSA-N 0 1 390.299 2.301 20 30 GEEDMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000288760904 532837778 /nfs/dbraw/zinc/83/77/78/532837778.db2.gz KXETVQRXWAYFJB-GXFFZTMASA-N 0 1 391.269 2.001 20 30 GEEDMN CN1C(=O)N(CC(=O)Nc2nc(-c3ccccn3)n[nH]2)C(=O)C12CCCCC2 ZINC000053525074 212131363 /nfs/dbraw/zinc/13/13/63/212131363.db2.gz YEQRAYHWGPBZCD-UHFFFAOYSA-N 0 1 383.412 2.052 20 30 GEEDMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000331467916 532840192 /nfs/dbraw/zinc/84/01/92/532840192.db2.gz HVFWLHJQKBGKBU-JQWIXIFHSA-N 0 1 384.299 2.224 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1N1CCCC1 ZINC000274824635 532857365 /nfs/dbraw/zinc/85/73/65/532857365.db2.gz QRIGDVPCZREPTB-HOTGVXAUSA-N 0 1 385.942 2.412 20 30 GEEDMN C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000735380982 599097569 /nfs/dbraw/zinc/09/75/69/599097569.db2.gz QAYDRMOUVKUAJT-UHFFFAOYSA-N 0 1 387.396 2.127 20 30 GEEDMN CC(C)Oc1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1C#N ZINC000820178696 607377164 /nfs/dbraw/zinc/37/71/64/607377164.db2.gz YBTVZDHIPXPZCB-UHFFFAOYSA-N 0 1 384.421 2.326 20 30 GEEDMN N#Cc1ccc(OC[C@H](O)C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739128374 599866337 /nfs/dbraw/zinc/86/63/37/599866337.db2.gz ARGAETSUSBWWPE-OAHLLOKOSA-N 0 1 376.359 2.163 20 30 GEEDMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1C[C@H](O)c1ccccc1 ZINC000736808016 600568387 /nfs/dbraw/zinc/56/83/87/600568387.db2.gz NDYHXMGAGMMBJG-CZAAIQMYSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000736808016 600568388 /nfs/dbraw/zinc/56/83/88/600568388.db2.gz NDYHXMGAGMMBJG-CZAAIQMYSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000736808016 600568389 /nfs/dbraw/zinc/56/83/89/600568389.db2.gz NDYHXMGAGMMBJG-CZAAIQMYSA-N 0 1 379.460 2.424 20 30 GEEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCN(C(=O)[O-])CC2)c1C#N ZINC000832849575 601113465 /nfs/dbraw/zinc/11/34/65/601113465.db2.gz JVGHOTOPADPYIQ-UHFFFAOYSA-N 0 1 399.451 2.242 20 30 GEEDMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C[C@H](O)c1ccccc1 ZINC000828413135 601315193 /nfs/dbraw/zinc/31/51/93/601315193.db2.gz PRKQIKXHWOXWAR-TYCQWZJGSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000828413135 601315195 /nfs/dbraw/zinc/31/51/95/601315195.db2.gz PRKQIKXHWOXWAR-TYCQWZJGSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000828413135 601315197 /nfs/dbraw/zinc/31/51/97/601315197.db2.gz PRKQIKXHWOXWAR-TYCQWZJGSA-N 0 1 379.460 2.424 20 30 GEEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](CC(=O)[O-])C3)sc2C1 ZINC000828309505 601572249 /nfs/dbraw/zinc/57/22/49/601572249.db2.gz DMPAZFHXERWNNO-STQMWFEESA-N 0 1 391.493 2.249 20 30 GEEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](CC(=O)[O-])C3)sc2C1 ZINC000828309505 601572252 /nfs/dbraw/zinc/57/22/52/601572252.db2.gz DMPAZFHXERWNNO-STQMWFEESA-N 0 1 391.493 2.249 20 30 GEEDMN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000739584761 601970039 /nfs/dbraw/zinc/97/00/39/601970039.db2.gz MLQIAOQAHQNLQQ-GJZGRUSLSA-N 0 1 379.420 2.298 20 30 GEEDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000739584761 601970043 /nfs/dbraw/zinc/97/00/43/601970043.db2.gz MLQIAOQAHQNLQQ-GJZGRUSLSA-N 0 1 379.420 2.298 20 30 GEEDMN CN(C[C@@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1)C(=O)[O-] ZINC000739666174 602529643 /nfs/dbraw/zinc/52/96/43/602529643.db2.gz SNSVCCYIWPGJIJ-ZFWWWQNUSA-N 0 1 379.420 2.155 20 30 GEEDMN CN(C[C@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C(=O)[O-] ZINC000828222680 603579457 /nfs/dbraw/zinc/57/94/57/603579457.db2.gz CXUZYODDEWBQAN-HUUCEWRRSA-N 0 1 379.420 2.298 20 30 GEEDMN CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000827434245 603988064 /nfs/dbraw/zinc/98/80/64/603988064.db2.gz RHTASASBBALPGC-UHFFFAOYSA-N 0 1 388.468 2.406 20 30 GEEDMN COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000831705587 604456264 /nfs/dbraw/zinc/45/62/64/604456264.db2.gz UJKTUGDPQDHQHT-UHFFFAOYSA-N 0 1 390.484 2.281 20 30 GEEDMN COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C1(C(=O)[O-])CCCC1 ZINC000831705587 604456267 /nfs/dbraw/zinc/45/62/67/604456267.db2.gz UJKTUGDPQDHQHT-UHFFFAOYSA-N 0 1 390.484 2.281 20 30 GEEDMN N#C[C@H]1CSCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444357867 649947652 /nfs/dbraw/zinc/94/76/52/649947652.db2.gz QKZSOBLCAGXWNA-JTQLQIEISA-N 0 1 378.251 2.372 20 30 GEEDMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2CCCOc1cccc(C#N)c1 ZINC000826295256 607716878 /nfs/dbraw/zinc/71/68/78/607716878.db2.gz ZALMDUUCYKRQBH-UHFFFAOYSA-N 0 1 387.403 2.226 20 30 GEEDMN CCC[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C1CCN(C(=O)[O-])CC1 ZINC000826917023 605484517 /nfs/dbraw/zinc/48/45/17/605484517.db2.gz VZQJGHVWICPQBH-UHFFFAOYSA-N 0 1 383.452 2.274 20 30 GEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000833829451 605895408 /nfs/dbraw/zinc/89/54/08/605895408.db2.gz GCIJHMPKGOLOIY-NFAWXSAZSA-N 0 1 379.420 2.202 20 30 GEEDMN C[C@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420127 606309074 /nfs/dbraw/zinc/30/90/74/606309074.db2.gz MMRXAXYMHCEFHD-NHYWBVRUSA-N 0 1 379.449 2.256 20 30 GEEDMN Cn1cc(-c2nn[nH]n2)cc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 ZINC000822622973 606407408 /nfs/dbraw/zinc/40/74/08/606407408.db2.gz MWJHLDIBCGDKRT-GFCCVEGCSA-N 0 1 376.405 2.214 20 30 GEEDMN Cn1cc(-c2nn[nH]n2)cc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000822622973 606407409 /nfs/dbraw/zinc/40/74/09/606407409.db2.gz MWJHLDIBCGDKRT-GFCCVEGCSA-N 0 1 376.405 2.214 20 30 GEEDMN C=C[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000819729807 606814702 /nfs/dbraw/zinc/81/47/02/606814702.db2.gz NCJRPYMOQVSCGE-NSHDSACASA-N 0 1 383.412 2.022 20 30 GEEDMN Cc1cc(C)n(N=C2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c(=O)c1-c1nnn[n-]1 ZINC000822198553 606861345 /nfs/dbraw/zinc/86/13/45/606861345.db2.gz AFLGKZOIZTWAEP-AWEZNQCLSA-N 0 1 377.452 2.144 20 30 GEEDMN Cc1cc(C)n(N=C2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(=O)c1-c1nnn[n-]1 ZINC000822198553 606861346 /nfs/dbraw/zinc/86/13/46/606861346.db2.gz AFLGKZOIZTWAEP-AWEZNQCLSA-N 0 1 377.452 2.144 20 30 GEEDMN C#CCCCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[nH]n1 ZINC000823840683 608344935 /nfs/dbraw/zinc/34/49/35/608344935.db2.gz BGAVOCBSDRBGCH-UHFFFAOYSA-N 0 1 387.343 2.035 20 30 GEEDMN C#CCOc1ccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823856293 608501322 /nfs/dbraw/zinc/50/13/22/608501322.db2.gz OMQXMUDLUVRORS-UHFFFAOYSA-N 0 1 388.475 2.197 20 30 GEEDMN N#CCCN(C(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccccc1 ZINC000826381407 608531120 /nfs/dbraw/zinc/53/11/20/608531120.db2.gz KMRMHLAYLRXUEW-UHFFFAOYSA-N 0 1 387.447 2.392 20 30 GEEDMN Cc1ccc(-c2csc(C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000505662039 650439850 /nfs/dbraw/zinc/43/98/50/650439850.db2.gz NXOMLBNYPJBPJM-ZIAGYGMSSA-N 0 1 375.475 2.029 20 30 GEEDMN N#CC(C(=O)CCC[S@](=O)c1ccc(Br)cc1)C(=O)NC1CC1 ZINC000117083505 643483238 /nfs/dbraw/zinc/48/32/38/643483238.db2.gz PRQRSXOFUUDHHN-LFVRLGFBSA-N 0 1 397.294 2.324 20 30 GEEDMN C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H](C)S1 ZINC000539368893 650843377 /nfs/dbraw/zinc/84/33/77/650843377.db2.gz WMFBRRHSVQEAMV-BZUAXINKSA-N 0 1 378.567 2.283 20 30 GEEDMN CN(Cc1ccc(C#N)cc1Br)C1CCN(S(C)(=O)=O)CC1 ZINC000181147349 644526292 /nfs/dbraw/zinc/52/62/92/644526292.db2.gz PVWXGXBNTWHOQW-UHFFFAOYSA-N 0 1 386.315 2.177 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cn1 ZINC000195444346 645379567 /nfs/dbraw/zinc/37/95/67/645379567.db2.gz UUZPZNCFEQHWOY-UHFFFAOYSA-N 0 1 376.825 2.300 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@H]1N(C)C ZINC000271092166 646172608 /nfs/dbraw/zinc/17/26/08/646172608.db2.gz KMHUZCWHXKPYLM-OLZOCXBDSA-N 0 1 393.456 2.243 20 30 GEEDMN CCc1nc([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)n[nH]1 ZINC000278779322 646548711 /nfs/dbraw/zinc/54/87/11/646548711.db2.gz LOUUFFTXYIIVIK-QMMMGPOBSA-N 0 1 384.259 2.041 20 30 GEEDMN C=CC[C@@H](CC)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000281703246 646790354 /nfs/dbraw/zinc/79/03/54/646790354.db2.gz ZVBDSIUNHSXTPC-GFCCVEGCSA-N 0 1 376.500 2.090 20 30 GEEDMN COc1ccc(CNCCNC(=O)C2N=CC=CC2=O)c(Br)c1 ZINC000285634456 646860135 /nfs/dbraw/zinc/86/01/35/646860135.db2.gz AJAFFULZHOKJNN-NXVVXOECSA-N 0 1 380.242 2.074 20 30 GEEDMN C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000330382252 647333721 /nfs/dbraw/zinc/33/37/21/647333721.db2.gz WZJMWXYNXQWWEW-CVEARBPZSA-N 0 1 384.571 2.447 20 30 GEEDMN CN(C)c1ncc(Br)cc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000330832047 647354673 /nfs/dbraw/zinc/35/46/73/647354673.db2.gz HEZSEXLBKSIALU-CYBMUJFWSA-N 0 1 385.306 2.062 20 30 GEEDMN CCN1CCC[C@H]1CNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000330835988 647355238 /nfs/dbraw/zinc/35/52/38/647355238.db2.gz RHKFUNWZGHNDBP-NSHDSACASA-N 0 1 390.278 2.222 20 30 GEEDMN N#Cc1c(Br)cccc1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000368177628 647752702 /nfs/dbraw/zinc/75/27/02/647752702.db2.gz QPKDYWFBQWKXMP-INIZCTEOSA-N 0 1 377.286 2.239 20 30 GEEDMN CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000421248968 648478199 /nfs/dbraw/zinc/47/81/99/648478199.db2.gz LPICXYRLINFAFH-UKRRQHHQSA-N 0 1 388.511 2.175 20 30 GEEDMN C=C(C)CN(CC)C(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000422450333 648546383 /nfs/dbraw/zinc/54/63/83/648546383.db2.gz ASFPKANOKMYLMP-UHFFFAOYSA-N 0 1 379.258 2.366 20 30 GEEDMN C=CCCCN(C)C(=O)C(=O)NCc1nc2cccc(Br)c2[nH]1 ZINC000422461287 648547678 /nfs/dbraw/zinc/54/76/78/648547678.db2.gz ZBOGOBRSIPIHNI-UHFFFAOYSA-N 0 1 379.258 2.366 20 30 GEEDMN COc1c(NS(=O)(=O)c2ccc(C#N)c(C)c2)cc(Cl)cc1C(N)=O ZINC000551478131 651125362 /nfs/dbraw/zinc/12/53/62/651125362.db2.gz ZMHCEYJTAPVXGT-UHFFFAOYSA-N 0 1 379.825 2.428 20 30 GEEDMN N#CC1(CS(=O)(=O)NCc2nc3cccc(Br)c3[nH]2)CCC1 ZINC000556313988 651240643 /nfs/dbraw/zinc/24/06/43/651240643.db2.gz UOAPBLDDBXHUJO-UHFFFAOYSA-N 0 1 383.271 2.439 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCC2CCN(CC(F)F)CC2)c(F)c1 ZINC000603371725 651486179 /nfs/dbraw/zinc/48/61/79/651486179.db2.gz WPRXLBQJBLPWPJ-UHFFFAOYSA-N 0 1 379.379 2.092 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)Nc2cccc3c2CNC3=O)c1 ZINC000564058992 651553718 /nfs/dbraw/zinc/55/37/18/651553718.db2.gz FAUPPEXSCUMAOH-UHFFFAOYSA-N 0 1 392.234 2.365 20 30 GEEDMN COc1c(F)cc(Br)cc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000730767012 651608205 /nfs/dbraw/zinc/60/82/05/651608205.db2.gz FEORIZUQDYPQSQ-UHFFFAOYSA-N 0 1 389.206 2.118 20 30 GEEDMN N#CCN1CCC(N[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000614137234 651813519 /nfs/dbraw/zinc/81/35/19/651813519.db2.gz IEGCLLYZAKMUSZ-HNNXBMFYSA-N 0 1 398.326 2.245 20 30 GEEDMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC[C@H]2CCNC2=O)CC1 ZINC000571937292 651862421 /nfs/dbraw/zinc/86/24/21/651862421.db2.gz QWSOEEPZZPSUSL-WBVHZDCISA-N 0 1 391.313 2.158 20 30 GEEDMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1cnc2cnc(Br)cn12 ZINC000746371365 652102163 /nfs/dbraw/zinc/10/21/63/652102163.db2.gz WFUWJIAFPUXQPF-UHFFFAOYSA-N 0 1 392.164 2.273 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)CC1 ZINC000748671561 652211019 /nfs/dbraw/zinc/21/10/19/652211019.db2.gz CRHGXIBXHWFCSZ-CYBMUJFWSA-N 0 1 382.913 2.429 20 30 GEEDMN C[S@@](=O)Cc1ccc(CNCCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000582541855 652454588 /nfs/dbraw/zinc/45/45/88/652454588.db2.gz OSEIDJJXLFQTIH-XMMPIXPASA-N 0 1 376.503 2.000 20 30 GEEDMN C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1nc(C)c(Br)s1 ZINC000583300740 652480711 /nfs/dbraw/zinc/48/07/11/652480711.db2.gz KUXJBPYUSVFWTC-VHSXEESVSA-N 0 1 381.317 2.474 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000756554347 652500651 /nfs/dbraw/zinc/50/06/51/652500651.db2.gz YVLCWEKCDQATHO-NEPJUHHUSA-N 0 1 399.310 2.270 20 30 GEEDMN N#Cc1cncc(S(=O)(=O)NC[C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000589278352 652564453 /nfs/dbraw/zinc/56/44/53/652564453.db2.gz AGNJNDPYGFZJOX-CQSZACIVSA-N 0 1 376.507 2.205 20 30 GEEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c1 ZINC000589550805 652568422 /nfs/dbraw/zinc/56/84/22/652568422.db2.gz FTHYVGLACIWODE-UHFFFAOYSA-N 0 1 376.825 2.300 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594387487 652646542 /nfs/dbraw/zinc/64/65/42/652646542.db2.gz WXQCQNIZZVEODA-ZDUSSCGKSA-N 0 1 390.241 2.149 20 30 GEEDMN N#Cc1cc(Br)ccc1C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594384530 652646834 /nfs/dbraw/zinc/64/68/34/652646834.db2.gz CSQYIUJJGUQTEX-LBPRGKRZSA-N 0 1 376.214 2.220 20 30 GEEDMN CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1C)[C@H]1CCN(C)C1 ZINC000595111860 652704852 /nfs/dbraw/zinc/70/48/52/652704852.db2.gz UZPQMUVBMMEBMR-LBPRGKRZSA-N 0 1 393.285 2.120 20 30 GEEDMN CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000601429518 653094712 /nfs/dbraw/zinc/09/47/12/653094712.db2.gz UQVXRUNAYKPHLI-UHFFFAOYSA-N 0 1 386.315 2.426 20 30 GEEDMN C#C[C@@H](C)N(C)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000769646643 653168131 /nfs/dbraw/zinc/16/81/31/653168131.db2.gz XFWHHUBYVGQRTJ-SECBINFHSA-N 0 1 380.185 2.226 20 30 GEEDMN O=C(NCC(F)(F)Br)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000807447304 653195098 /nfs/dbraw/zinc/19/50/98/653195098.db2.gz KQFLWXSJRRNIIB-UHFFFAOYSA-N 0 1 397.044 2.425 20 30 GEEDMN C[C@@H]1CN(C[C@H](O)COc2ccc(Br)cc2)C[C@H](C)N1CC#N ZINC000602858077 653210541 /nfs/dbraw/zinc/21/05/41/653210541.db2.gz YRJCOOZKTAGRPL-LZWOXQAQSA-N 0 1 382.302 2.107 20 30 GEEDMN N#Cc1ccc(CNC(=O)c2c[nH]c3ccc(Br)cc3c2=O)nc1 ZINC000770763430 653224068 /nfs/dbraw/zinc/22/40/68/653224068.db2.gz PAKXFYJCOGCRQP-UHFFFAOYSA-N 0 1 383.205 2.487 20 30 GEEDMN C[C@@H]1C[NH+]=C(NN=Cc2cc(Br)cc(Br)c2[O-])N1 ZINC000779802112 653611032 /nfs/dbraw/zinc/61/10/32/653611032.db2.gz BFTDZYJGWNXUBR-ZCFIWIBFSA-N 0 1 376.052 2.188 20 30 GEEDMN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H]2C[C@@]2(C)Br)cc1 ZINC000860477638 653627855 /nfs/dbraw/zinc/62/78/55/653627855.db2.gz SMPJDEBXUNDRMM-CKEIUWERSA-N 0 1 379.254 2.236 20 30 GEEDMN CCOC(=O)COc1c(Br)cc(C)cc1CN=Nc1cnnn1C ZINC000814983447 653641808 /nfs/dbraw/zinc/64/18/08/653641808.db2.gz JUABPVJXAXNCAJ-UHFFFAOYSA-N 0 1 396.245 2.274 20 30 GEEDMN COc1cc(C=NNC(=S)NCCc2cccs2)cc([N+](=O)[O-])c1O ZINC000839412145 653648723 /nfs/dbraw/zinc/64/87/23/653648723.db2.gz GBWOQXPQROAROB-UHFFFAOYSA-N 0 1 380.451 2.411 20 30 GEEDMN Cc1cc(Br)cn2c(/C=C\C(=O)c3cnc([O-])n(C)c3=O)c[nH+]c12 ZINC000783708697 653683123 /nfs/dbraw/zinc/68/31/23/653683123.db2.gz DCGIJCJHIKTBPF-ARJAWSKDSA-N 0 1 389.209 2.101 20 30 GEEDMN C#CCOCCNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000784603771 653697351 /nfs/dbraw/zinc/69/73/51/653697351.db2.gz KOGKKQSOYGBBFJ-UHFFFAOYSA-N 0 1 378.475 2.237 20 30 GEEDMN CC(=NN[C@H]1CCCS(=O)(=O)C1)c1cc(Br)c(F)cc1O ZINC000863132909 653702722 /nfs/dbraw/zinc/70/27/22/653702722.db2.gz GSVYDRNFCSDAHD-VIFPVBQESA-N 0 1 379.251 2.185 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000841199108 653710232 /nfs/dbraw/zinc/71/02/32/653710232.db2.gz BATFEXHXHMRHEV-YPMHNXCESA-N 0 1 379.251 2.471 20 30 GEEDMN Cn1nc(Br)cc1CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000785515490 653711107 /nfs/dbraw/zinc/71/11/07/653711107.db2.gz ZBNDLCFMJUVJFU-OAHLLOKOSA-N 0 1 388.269 2.339 20 30 GEEDMN C#CCN(C)CCCNC(=O)c1cc(=O)c2cc(Br)ccc2o1 ZINC000841440717 653717388 /nfs/dbraw/zinc/71/73/88/653717388.db2.gz YNZAYJCNRFVCOS-UHFFFAOYSA-N 0 1 377.238 2.240 20 30 GEEDMN COC(=O)c1cc(Br)c(S(=O)(=O)NCC2(C#N)CCC2)s1 ZINC000841571199 653736297 /nfs/dbraw/zinc/73/62/97/653736297.db2.gz AZZJAVTYNIWWGX-UHFFFAOYSA-N 0 1 393.284 2.269 20 30 GEEDMN NS(=O)(=O)c1ccc(NN=Cc2c(O)ccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000790136215 653787282 /nfs/dbraw/zinc/78/72/82/653787282.db2.gz DTJVZAZUWBKGNJ-UHFFFAOYSA-N 0 1 388.764 2.186 20 30 GEEDMN C=CCN(C(=O)c1cnc(I)c(O)c1)[C@H](C)COC ZINC000824408464 653894439 /nfs/dbraw/zinc/89/44/39/653894439.db2.gz NUFQSIDCXIQOJH-SECBINFHSA-N 0 1 376.194 2.055 20 30 GEEDMN N#Cc1ccc(CNCCS(=O)(=O)C2CCOCC2)c(C(F)(F)F)c1 ZINC000824903360 653912406 /nfs/dbraw/zinc/91/24/06/653912406.db2.gz FKQZHEKZCANPIH-UHFFFAOYSA-N 0 1 376.400 2.260 20 30 GEEDMN Cc1nsc(NC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1C#N ZINC000847184215 653920144 /nfs/dbraw/zinc/92/01/44/653920144.db2.gz RGAPZTWWSISKBH-PSASIEDQSA-N 0 1 375.376 2.387 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c(=O)c1C#N ZINC000848376189 653973166 /nfs/dbraw/zinc/97/31/66/653973166.db2.gz MUDOUXKFTXOUFT-KWBADKCTSA-N 0 1 395.301 2.431 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)[C@H]2CCCN2C(C)C)c(=O)c1C#N ZINC000898793364 653986222 /nfs/dbraw/zinc/98/62/22/653986222.db2.gz QNQJJTLTAUPGOD-CYBMUJFWSA-N 0 1 381.274 2.042 20 30 GEEDMN C#CCN(C(=O)c1ccc(I)c([O-])c1)C1CC[NH+](C)CC1 ZINC000886578516 653992707 /nfs/dbraw/zinc/99/27/07/653992707.db2.gz AFQVWTYZWIEUPJ-UHFFFAOYSA-N 0 1 398.244 2.166 20 30 GEEDMN N#CC(C(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916928068 654111474 /nfs/dbraw/zinc/11/14/74/654111474.db2.gz GRCIVJRBCYIDQK-MWLCHTKSSA-N 0 1 389.260 2.466 20 30 GEEDMN C=CCOC[C@@H]([NH2+]Cc1c(Br)cncc1Br)C(=O)[O-] ZINC000901810179 654149826 /nfs/dbraw/zinc/14/98/26/654149826.db2.gz XKKKQYJUMNXURM-LLVKDONJSA-N 0 1 394.063 2.352 20 30 GEEDMN N#CC[C@H](NS(=O)(=O)c1c(O)cccc1OC(F)(F)F)C(F)(F)F ZINC000901949328 654156948 /nfs/dbraw/zinc/15/69/48/654156948.db2.gz SICAXLTZDSZRAB-QMMMGPOBSA-N 0 1 378.250 2.414 20 30 GEEDMN CN1CCC(C#N)(NC(=O)COCCc2ccc(Br)cc2)CC1 ZINC000889742205 654165686 /nfs/dbraw/zinc/16/56/86/654165686.db2.gz PRGCHTSLBXJMBW-UHFFFAOYSA-N 0 1 380.286 2.112 20 30 GEEDMN CC(C)(C)OC(=O)NCC[C@H](NS(=O)(=O)CC1(C#N)CCC1)C(F)F ZINC000831970875 654220896 /nfs/dbraw/zinc/22/08/96/654220896.db2.gz HBGBSKHTERUGJV-NSHDSACASA-N 0 1 381.445 2.148 20 30 GEEDMN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NS(=O)(=O)CCCCC#N)C1 ZINC000832251171 654253839 /nfs/dbraw/zinc/25/38/39/654253839.db2.gz QRQDICCFQWSGLI-GFCCVEGCSA-N 0 1 381.445 2.244 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000834479445 654328875 /nfs/dbraw/zinc/32/88/75/654328875.db2.gz DNJVHPXEKDAZGB-JOYOIKCWSA-N 0 1 379.283 2.219 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000834488207 654329354 /nfs/dbraw/zinc/32/93/54/654329354.db2.gz AIVOWNQDIGGSTK-NHYWBVRUSA-N 0 1 390.237 2.462 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)c(OC)cc1OC ZINC000922022202 654355965 /nfs/dbraw/zinc/35/59/65/654355965.db2.gz JPVNZEMEUFMAHY-UHFFFAOYSA-N 0 1 386.901 2.075 20 30 GEEDMN N#Cc1c(NCc2cc(O)ccc2Br)n[nH]c1N1CCOCC1 ZINC000922360193 654386634 /nfs/dbraw/zinc/38/66/34/654386634.db2.gz QPEYWLWFGIYDRR-UHFFFAOYSA-N 0 1 378.230 2.198 20 30 GEEDMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907167968 654517004 /nfs/dbraw/zinc/51/70/04/654517004.db2.gz FCZXNKGOUMHDIT-ZDUSSCGKSA-N 0 1 386.315 2.426 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccc(OC)c(I)c2)CC1 ZINC000928655252 654654702 /nfs/dbraw/zinc/65/47/02/654654702.db2.gz SPLZSBBRZLXXHR-UHFFFAOYSA-N 0 1 398.244 2.127 20 30 GEEDMN C#CCN1CCC(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000928656618 654654728 /nfs/dbraw/zinc/65/47/28/654654728.db2.gz CCXHPSAARWSVRA-UHFFFAOYSA-N 0 1 387.281 2.462 20 30 GEEDMN N#Cc1ccc(N[C@@H]2CCCN(C(=O)CSc3n[nH]c(=S)s3)C2)nc1 ZINC000928721839 654656921 /nfs/dbraw/zinc/65/69/21/654656921.db2.gz CTGLPZOXJCGGJK-LLVKDONJSA-N 0 1 392.535 2.289 20 30 GEEDMN O=C1NCCN1CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940996 654794982 /nfs/dbraw/zinc/79/49/82/654794982.db2.gz SSJIQRNFPXHDSE-HTQZYQBOSA-N 0 1 381.267 2.114 20 30 GEEDMN C#CCN1CCC(NC(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000914259490 654839568 /nfs/dbraw/zinc/83/95/68/654839568.db2.gz UOMQITNAGGXDMP-UHFFFAOYSA-N 0 1 380.286 2.355 20 30 GEEDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(C#N)c(C#N)nc1Cl)[C@@H]2C ZINC001164860419 720961925 /nfs/dbraw/zinc/96/19/25/720961925.db2.gz PSQUUWLYGJOCJI-GFCCVEGCSA-N 0 1 384.875 2.491 20 30 GEEDMN N#Cc1nc(Cl)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C#N ZINC001164903846 721533732 /nfs/dbraw/zinc/53/37/32/721533732.db2.gz DGWYYRBOWSPNJI-HIFRSBDPSA-N 0 1 398.829 2.354 20 30 GEEDMN C[C@@H](CC#N)NC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000179896133 532248536 /nfs/dbraw/zinc/24/85/36/532248536.db2.gz GYHPJGUSGJVYOP-QMMMGPOBSA-N 0 1 381.173 2.165 20 30 GEEDMN N#C[C@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C1CC1 ZINC000179919024 532251087 /nfs/dbraw/zinc/25/10/87/532251087.db2.gz HODDOUWPJXTEPV-ZDUSSCGKSA-N 0 1 393.184 2.165 20 30 GEEDMN C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC000185009321 532336628 /nfs/dbraw/zinc/33/66/28/532336628.db2.gz JHURJAWEBCPNBP-UHFFFAOYSA-N 0 1 376.837 2.106 20 30 GEEDMN N#Cc1cc(Br)ccc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000294776059 532382075 /nfs/dbraw/zinc/38/20/75/532382075.db2.gz AGWRRSWVNZJIPM-ZDUSSCGKSA-N 0 1 378.270 2.115 20 30 GEEDMN N#Cc1cccnc1-n1cc(NC(=O)CSc2n[nH]c(=S)s2)cn1 ZINC000373400669 532447239 /nfs/dbraw/zinc/44/72/39/532447239.db2.gz YXUKUZOOROAROR-UHFFFAOYSA-N 0 1 375.464 2.010 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCN[C@@H](CCO)c2ccc(Cl)cc2)nc1 ZINC000561785244 532451705 /nfs/dbraw/zinc/45/17/05/532451705.db2.gz PEEUDDGZBVVFFO-INIZCTEOSA-N 0 1 379.869 2.094 20 30 GEEDMN CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295630324 532464698 /nfs/dbraw/zinc/46/46/98/532464698.db2.gz FWJLBMMIVJUNOR-JTQLQIEISA-N 0 1 390.278 2.032 20 30 GEEDMN Cc1nc([C@@H](C)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n[nH]1 ZINC000592798577 532466269 /nfs/dbraw/zinc/46/62/69/532466269.db2.gz GZUSIIZFMFYJQM-SECBINFHSA-N 0 1 389.257 2.061 20 30 GEEDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593635430 532491693 /nfs/dbraw/zinc/49/16/93/532491693.db2.gz LISZWDVXMJMUAW-CYBMUJFWSA-N 0 1 394.313 2.167 20 30 GEEDMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000283077937 532518379 /nfs/dbraw/zinc/51/83/79/532518379.db2.gz NTYIXVXDTBHKAU-UONOGXRCSA-N 0 1 380.235 2.145 20 30 GEEDMN CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(F)(F)F ZINC000594699865 532520287 /nfs/dbraw/zinc/52/02/87/532520287.db2.gz MLLCBOMACXVVIG-LLVKDONJSA-N 0 1 384.763 2.374 20 30 GEEDMN COCCC[N@@H+](C)CCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594760132 532523031 /nfs/dbraw/zinc/52/30/31/532523031.db2.gz SJUWKOUPPOWYJN-UHFFFAOYSA-N 0 1 381.523 2.328 20 30 GEEDMN COCCCN(C)CCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594760132 532523032 /nfs/dbraw/zinc/52/30/32/532523032.db2.gz SJUWKOUPPOWYJN-UHFFFAOYSA-N 0 1 381.523 2.328 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NCCN2CCCCCC2)cc1Br ZINC000432879347 532546661 /nfs/dbraw/zinc/54/66/61/532546661.db2.gz OTBLLKAFPCCULO-UHFFFAOYSA-N 0 1 386.315 2.475 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCc2nccn2CC(F)(F)F)c(F)c1 ZINC000539174092 532725185 /nfs/dbraw/zinc/72/51/85/532725185.db2.gz YVZBYOARMAYWAR-UHFFFAOYSA-N 0 1 380.298 2.074 20 30 GEEDMN COc1cc(C(=O)NC[C@H]2CN(C)CCN2C)cc(Br)c1OC ZINC000330484516 532819283 /nfs/dbraw/zinc/81/92/83/532819283.db2.gz XXRIUTTUQJGCEN-LBPRGKRZSA-N 0 1 386.290 2.017 20 30 GEEDMN CCN1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000330670172 532824820 /nfs/dbraw/zinc/82/48/20/532824820.db2.gz LKOPYURMLQMSMR-LBPRGKRZSA-N 0 1 386.315 2.426 20 30 GEEDMN CCN1CCC(N(C)S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000330675045 532825164 /nfs/dbraw/zinc/82/51/64/532825164.db2.gz RLRVCVGEQVRESQ-UHFFFAOYSA-N 0 1 386.315 2.426 20 30 GEEDMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000289565318 532859222 /nfs/dbraw/zinc/85/92/22/532859222.db2.gz OADNSHBGQYODPE-UHFFFAOYSA-N 0 1 385.917 2.333 20 30 GEEDMN CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000289864345 532866315 /nfs/dbraw/zinc/86/63/15/532866315.db2.gz NIHRBQGGJMGTQP-ZDUSSCGKSA-N 0 1 386.315 2.426 20 30 GEEDMN CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1cccc(N2CCOCC2)c1 ZINC000819773571 607252942 /nfs/dbraw/zinc/25/29/42/607252942.db2.gz VIOZCURCAHKLGY-UHFFFAOYSA-N 0 1 377.452 2.217 20 30 GEEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC000735977428 598503032 /nfs/dbraw/zinc/50/30/32/598503032.db2.gz VRWPYWYDTGOTQM-GFCCVEGCSA-N 0 1 395.448 2.061 20 30 GEEDMN N#CC(C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C(=O)NC1CCCC1 ZINC000737672986 598734620 /nfs/dbraw/zinc/73/46/20/598734620.db2.gz TVJJAPFOWCNDDU-KRWDZBQOSA-N 0 1 396.451 2.183 20 30 GEEDMN CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2cnc3ccc(C#N)cn23)o1 ZINC000735657879 599457242 /nfs/dbraw/zinc/45/72/42/599457242.db2.gz WGHAOABPIXPWBW-UHFFFAOYSA-N 0 1 376.384 2.118 20 30 GEEDMN Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])c1C ZINC000832971356 601025374 /nfs/dbraw/zinc/02/53/74/601025374.db2.gz LPCJUVHCZMRLCC-INIZCTEOSA-N 0 1 375.494 2.442 20 30 GEEDMN Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2CC(=O)[O-])c1C ZINC000832971356 601025378 /nfs/dbraw/zinc/02/53/78/601025378.db2.gz LPCJUVHCZMRLCC-INIZCTEOSA-N 0 1 375.494 2.442 20 30 GEEDMN CC(C)c1nc(CN(C)[C@@H]2CC[N@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827152289 601321264 /nfs/dbraw/zinc/32/12/64/601321264.db2.gz GJGMIVMUDHAUJS-SJLPKXTDSA-N 0 1 383.452 2.397 20 30 GEEDMN CC(C)c1nc(CN(C)[C@H]2CC[N@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827152291 601321290 /nfs/dbraw/zinc/32/12/90/601321290.db2.gz GJGMIVMUDHAUJS-WMZOPIPTSA-N 0 1 383.452 2.397 20 30 GEEDMN C[C@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000738598338 602480180 /nfs/dbraw/zinc/48/01/80/602480180.db2.gz YCUSZEYVVVJPDJ-WIYYLYMNSA-N 0 1 384.480 2.439 20 30 GEEDMN C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000738598338 602480181 /nfs/dbraw/zinc/48/01/81/602480181.db2.gz YCUSZEYVVVJPDJ-WIYYLYMNSA-N 0 1 384.480 2.439 20 30 GEEDMN CN(C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1)C(=O)[O-] ZINC000739666643 602533564 /nfs/dbraw/zinc/53/35/64/602533564.db2.gz UMBGNOFAIBXSJI-LBPRGKRZSA-N 0 1 376.482 2.369 20 30 GEEDMN C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCN(C(=O)[O-])CC1 ZINC000828168242 603993847 /nfs/dbraw/zinc/99/38/47/603993847.db2.gz GCXOKUIDNFITSR-OAHLLOKOSA-N 0 1 379.420 2.298 20 30 GEEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](NC(=O)[O-])C3)sc2C1 ZINC000739112708 604430636 /nfs/dbraw/zinc/43/06/36/604430636.db2.gz GZFZWVYPUPKXJD-VXGBXAGGSA-N 0 1 376.482 2.415 20 30 GEEDMN CCOc1ccnc(N2CCC[N@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1 ZINC000830117215 604682145 /nfs/dbraw/zinc/68/21/45/604682145.db2.gz UFSJUVLXBBWBJM-SFHVURJKSA-N 0 1 381.436 2.085 20 30 GEEDMN C=CCSc1ccccc1NC(=O)CN1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC000833377724 605186753 /nfs/dbraw/zinc/18/67/53/605186753.db2.gz AFQDQZRTADYJLP-HNNXBMFYSA-N 0 1 377.510 2.384 20 30 GEEDMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000834025568 605519273 /nfs/dbraw/zinc/51/92/73/605519273.db2.gz FLKICIMSOOBTHW-HKUYNNGSSA-N 0 1 387.455 2.148 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833977466 606007276 /nfs/dbraw/zinc/00/72/76/606007276.db2.gz ZPCGDYZWPXNKRL-WMZOPIPTSA-N 0 1 391.493 2.186 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833977466 606007279 /nfs/dbraw/zinc/00/72/79/606007279.db2.gz ZPCGDYZWPXNKRL-WMZOPIPTSA-N 0 1 391.493 2.186 20 30 GEEDMN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820420128 606309229 /nfs/dbraw/zinc/30/92/29/606309229.db2.gz MMRXAXYMHCEFHD-XHDPSFHLSA-N 0 1 379.449 2.256 20 30 GEEDMN CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000820893353 606697588 /nfs/dbraw/zinc/69/75/88/606697588.db2.gz OELZHEKRAPWWAV-UHFFFAOYSA-N 0 1 389.485 2.481 20 30 GEEDMN COc1cccc(NN=Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826216617 609524223 /nfs/dbraw/zinc/52/42/23/609524223.db2.gz HCVPJZBRPTYVIP-UHFFFAOYSA-N 0 1 375.396 2.117 20 30 GEEDMN C#CCOc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cc1 ZINC000823855858 609527654 /nfs/dbraw/zinc/52/76/54/609527654.db2.gz BTYZPVOWLMPYND-UHFFFAOYSA-N 0 1 389.824 2.333 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000451074549 650083890 /nfs/dbraw/zinc/08/38/90/650083890.db2.gz QLUMIEUNHYKCRP-UHFFFAOYSA-N 0 1 376.214 2.013 20 30 GEEDMN CC(C)c1[nH]nc(C(N)=O)c1NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451114260 650088104 /nfs/dbraw/zinc/08/81/04/650088104.db2.gz KVWYXUMCIYYOKX-UHFFFAOYSA-N 0 1 381.845 2.152 20 30 GEEDMN Cc1noc([C@@H](C)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)n1 ZINC000451143342 650090067 /nfs/dbraw/zinc/09/00/67/650090067.db2.gz FKRSHOSYXVEGJD-ZCFIWIBFSA-N 0 1 389.206 2.191 20 30 GEEDMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000452101920 650173723 /nfs/dbraw/zinc/17/37/23/650173723.db2.gz HKSVIVQDRPAFPL-GFCCVEGCSA-N 0 1 386.315 2.424 20 30 GEEDMN CS(=O)(=O)NCc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000479484534 650604739 /nfs/dbraw/zinc/60/47/39/650604739.db2.gz BLNROVLSDMCCPD-UHFFFAOYSA-N 0 1 399.881 2.062 20 30 GEEDMN C=CCOc1c(Br)cc(CN2CCn3c(n[nH]c3=O)C2)cc1OC ZINC000484742231 650689492 /nfs/dbraw/zinc/68/94/92/650689492.db2.gz XOIQSSCBTXWHLN-UHFFFAOYSA-N 0 1 395.257 2.335 20 30 GEEDMN C=C(C)COc1cccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000066587706 642925741 /nfs/dbraw/zinc/92/57/41/642925741.db2.gz DDAFZWLNJAOBPU-UHFFFAOYSA-N 0 1 382.463 2.090 20 30 GEEDMN N#CC(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1 ZINC000129372834 643822026 /nfs/dbraw/zinc/82/20/26/643822026.db2.gz ZECXXIXABCDERX-GFCCVEGCSA-N 0 1 376.825 2.470 20 30 GEEDMN N#Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)ccc1F ZINC000499265701 650877846 /nfs/dbraw/zinc/87/78/46/650877846.db2.gz LFZYIHBBPGKZJA-UHFFFAOYSA-N 0 1 383.788 2.016 20 30 GEEDMN C=CCCS(=O)(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC ZINC000268568863 645979525 /nfs/dbraw/zinc/97/95/25/645979525.db2.gz QSUBZWRHYUXFNM-UHFFFAOYSA-N 0 1 376.500 2.044 20 30 GEEDMN CCc1nc([C@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)n[nH]1 ZINC000270585889 646122831 /nfs/dbraw/zinc/12/28/31/646122831.db2.gz RMWNJBRRAAEKKZ-QMMMGPOBSA-N 0 1 384.259 2.041 20 30 GEEDMN CS(=O)(=O)[C@@H]1CCCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000277725630 646467063 /nfs/dbraw/zinc/46/70/63/646467063.db2.gz JOENNIIVINMMTF-OAHLLOKOSA-N 0 1 383.901 2.439 20 30 GEEDMN CCOC(=O)CO/N=C(/C(=O)N(C)Cc1ccc(Cl)s1)c1cc[nH]n1 ZINC000279049507 646574101 /nfs/dbraw/zinc/57/41/01/646574101.db2.gz MDKDWBHLCFLLRI-XMHGGMMESA-N 0 1 384.845 2.067 20 30 GEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2[nH]nc3ccc(Br)cc32)C1=O ZINC000281579173 646784832 /nfs/dbraw/zinc/78/48/32/646784832.db2.gz BHGUWXPRLZFLQG-CYBMUJFWSA-N 0 1 377.242 2.184 20 30 GEEDMN Cn1cnc2c(c1=O)CCN(C(=O)NCCc1ccc(Br)s1)C2 ZINC000330104993 647329921 /nfs/dbraw/zinc/32/99/21/647329921.db2.gz JIPGVEJQXHSKLF-UHFFFAOYSA-N 0 1 397.298 2.119 20 30 GEEDMN C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000330382254 647333596 /nfs/dbraw/zinc/33/35/96/647333596.db2.gz WZJMWXYNXQWWEW-HZPDHXFCSA-N 0 1 384.571 2.447 20 30 GEEDMN CC(C)N1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000331215155 647372049 /nfs/dbraw/zinc/37/20/49/647372049.db2.gz CLGXIVRAYZIJCU-CYBMUJFWSA-N 0 1 386.315 2.472 20 30 GEEDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc(C#N)c1Br ZINC000331309122 647379366 /nfs/dbraw/zinc/37/93/66/647379366.db2.gz GYFIVAGBUIRYSZ-LBPRGKRZSA-N 0 1 380.286 2.238 20 30 GEEDMN CN(CCN1CCCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000331311562 647379516 /nfs/dbraw/zinc/37/95/16/647379516.db2.gz HRLYHJXVQSNSQL-UHFFFAOYSA-N 0 1 390.278 2.176 20 30 GEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@H]21 ZINC000369629374 647780740 /nfs/dbraw/zinc/78/07/40/647780740.db2.gz MFNOAZKLMMEVIX-XHDPSFHLSA-N 0 1 384.299 2.035 20 30 GEEDMN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)CCN1C ZINC000408112806 647927614 /nfs/dbraw/zinc/92/76/14/647927614.db2.gz OBCMIBKPYCRRLB-NEPJUHHUSA-N 0 1 386.315 2.424 20 30 GEEDMN CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000409597514 647972008 /nfs/dbraw/zinc/97/20/08/647972008.db2.gz NBJKXNGVAIPYQF-HNNXBMFYSA-N 0 1 386.949 2.430 20 30 GEEDMN COc1ccc(Br)c(CS(=O)(=O)Nc2ccc(C#N)cn2)c1 ZINC000410330330 648001809 /nfs/dbraw/zinc/00/18/09/648001809.db2.gz NFWIICYACAZSQE-UHFFFAOYSA-N 0 1 382.239 2.666 20 30 GEEDMN Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1I ZINC000427781481 648730290 /nfs/dbraw/zinc/73/02/90/648730290.db2.gz PHFNFNWLXANLBJ-UHFFFAOYSA-N 0 1 399.213 2.667 20 30 GEEDMN Cc1cccc(S(=O)(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c1C#N ZINC000441339510 648825145 /nfs/dbraw/zinc/82/51/45/648825145.db2.gz VZBHQLKEMQZZNW-UHFFFAOYSA-N 0 1 383.426 2.178 20 30 GEEDMN CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000603975034 651506446 /nfs/dbraw/zinc/50/64/46/651506446.db2.gz FIJHBZNLGJVFKA-UHFFFAOYSA-N 0 1 385.854 2.384 20 30 GEEDMN C=C(Br)COC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O ZINC000728107791 651538271 /nfs/dbraw/zinc/53/82/71/651538271.db2.gz UZRMHZMCCOGPHL-UHFFFAOYSA-N 0 1 391.243 2.082 20 30 GEEDMN N#Cc1cc(F)c(N2CCN([C@@H]3CCNC(=O)CC3)CC2)cc1Br ZINC000565609471 651593347 /nfs/dbraw/zinc/59/33/47/651593347.db2.gz OOYLROCTGCKHEQ-ZDUSSCGKSA-N 0 1 395.276 2.251 20 30 GEEDMN CN(CCC#N)C[C@H](O)CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000567588571 651628198 /nfs/dbraw/zinc/62/81/98/651628198.db2.gz ABQWXVFWRRNSTP-IUODEOHRSA-N 0 1 379.810 2.188 20 30 GEEDMN C[C@]1(CNCCS(=O)(=O)c2cccc(C#N)c2)OCCc2sccc21 ZINC000568742051 651678143 /nfs/dbraw/zinc/67/81/43/651678143.db2.gz FQLSJELWHBAESY-GOSISDBHSA-N 0 1 376.503 2.471 20 30 GEEDMN COCCn1c(=O)cc(O)nc1SCc1cc(Cl)ccc1OCC#N ZINC000735302866 651776042 /nfs/dbraw/zinc/77/60/42/651776042.db2.gz IFOKYGNYJFZJJR-UHFFFAOYSA-N 0 1 381.841 2.443 20 30 GEEDMN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC[C@@H]2CCNC2=O)CC1 ZINC000571937291 651862533 /nfs/dbraw/zinc/86/25/33/651862533.db2.gz QWSOEEPZZPSUSL-RDJZCZTQSA-N 0 1 391.313 2.158 20 30 GEEDMN N#Cc1cc(F)c(N2CCC(O)(CN3CCOCC3)CC2)cc1Br ZINC000572781646 651912169 /nfs/dbraw/zinc/91/21/69/651912169.db2.gz XPJRQJJFWIHEGG-UHFFFAOYSA-N 0 1 398.276 2.123 20 30 GEEDMN C#CCN1C(=O)C(=NNCCN2CCCCC2)c2cc(Br)ccc21 ZINC000747047926 652135686 /nfs/dbraw/zinc/13/56/86/652135686.db2.gz MMVDUCAICALUBM-UHFFFAOYSA-N 0 1 389.297 2.209 20 30 GEEDMN N#Cc1c(Cl)cccc1S(=O)(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000751105396 652323930 /nfs/dbraw/zinc/32/39/30/652323930.db2.gz VEFUPUBLACYCDR-CQSZACIVSA-N 0 1 383.901 2.133 20 30 GEEDMN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1COCCN1 ZINC000627186175 652417741 /nfs/dbraw/zinc/41/77/41/652417741.db2.gz REMAEKBUJOVWJS-CQSZACIVSA-N 0 1 386.265 2.274 20 30 GEEDMN C[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)N1CCc2sccc2C1 ZINC000754978000 652454194 /nfs/dbraw/zinc/45/41/94/652454194.db2.gz BXYIEQVKZFGIEE-LBPRGKRZSA-N 0 1 376.507 2.126 20 30 GEEDMN CC(C)(C)OC(=O)NCCCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000757885702 652524756 /nfs/dbraw/zinc/52/47/56/652524756.db2.gz YTHITECFZPBQCP-UHFFFAOYSA-N 0 1 375.397 2.030 20 30 GEEDMN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CCCN1CCN(C)CC1 ZINC000631662911 652530429 /nfs/dbraw/zinc/53/04/29/652530429.db2.gz GJGARPZUNQIIJW-UHFFFAOYSA-N 0 1 391.990 2.357 20 30 GEEDMN N#CC[C@]1(O)CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 ZINC000592837014 652604157 /nfs/dbraw/zinc/60/41/57/652604157.db2.gz HIHBOVAKNBVELY-INIZCTEOSA-N 0 1 375.226 2.330 20 30 GEEDMN N#C[C@H](C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccncn1 ZINC000760337744 652604219 /nfs/dbraw/zinc/60/42/19/652604219.db2.gz BDVGMBDIAZSCNW-FZMZJTMJSA-N 0 1 385.221 2.468 20 30 GEEDMN N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccncn1 ZINC000760345290 652604480 /nfs/dbraw/zinc/60/44/80/652604480.db2.gz LDYQUVCCFGJKPU-NEPJUHHUSA-N 0 1 385.221 2.468 20 30 GEEDMN N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1ccncn1 ZINC000760345301 652604539 /nfs/dbraw/zinc/60/45/39/652604539.db2.gz LDYQUVCCFGJKPU-VXGBXAGGSA-N 0 1 385.221 2.468 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NCC2CCN(Cc3ccncc3)CC2)s1 ZINC000594832470 652690655 /nfs/dbraw/zinc/69/06/55/652690655.db2.gz YODOHDKQFUNKGW-UHFFFAOYSA-N 0 1 376.507 2.205 20 30 GEEDMN CC(C)(C#N)C[C@H](O)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000598614877 652824694 /nfs/dbraw/zinc/82/46/94/652824694.db2.gz GJJHWMSOWPVRPW-NSHDSACASA-N 0 1 377.436 2.370 20 30 GEEDMN C=C(Cl)CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000765487315 652840701 /nfs/dbraw/zinc/84/07/01/652840701.db2.gz OLSZAXOQNWIDOT-UHFFFAOYSA-N 0 1 380.853 2.353 20 30 GEEDMN CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000601428591 653094340 /nfs/dbraw/zinc/09/43/40/653094340.db2.gz NRNXIMQORYIBCX-UHFFFAOYSA-N 0 1 386.315 2.426 20 30 GEEDMN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(N3CCCOCC3)CC2)c1 ZINC000601440360 653095252 /nfs/dbraw/zinc/09/52/52/653095252.db2.gz PWRGZKRTFRRGFB-UHFFFAOYSA-N 0 1 383.901 2.087 20 30 GEEDMN C#CCNC(=O)C1CCN(Cc2ccccc2I)CC1 ZINC000769020899 653141006 /nfs/dbraw/zinc/14/10/06/653141006.db2.gz ILGZNEDUIAXXHS-UHFFFAOYSA-N 0 1 382.245 2.253 20 30 GEEDMN C[C@@H](O)c1ncc(C=NNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)s1 ZINC000773034537 653176758 /nfs/dbraw/zinc/17/67/58/653176758.db2.gz NNYXHRQBXQFBHW-SNVBAGLBSA-N 0 1 383.499 2.114 20 30 GEEDMN C#CCOc1ccccc1NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000775297945 653309585 /nfs/dbraw/zinc/30/95/85/653309585.db2.gz FKQWGNWJDWWCOK-UHFFFAOYSA-N 0 1 379.459 2.044 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000814138284 653624173 /nfs/dbraw/zinc/62/41/73/653624173.db2.gz PVLVUVVFBQVTDM-LLVKDONJSA-N 0 1 376.214 2.041 20 30 GEEDMN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000815082246 653650675 /nfs/dbraw/zinc/65/06/75/653650675.db2.gz HDOKLCDNGNFPLQ-UHFFFAOYSA-N 0 1 380.253 2.135 20 30 GEEDMN N#CC(C(=O)C[C@H]1CCCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000815908946 653668535 /nfs/dbraw/zinc/66/85/35/653668535.db2.gz NMZGFTFXQYAHFE-PWSUYJOCSA-N 0 1 386.832 2.341 20 30 GEEDMN C#CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCOc2ccc(Br)cc21 ZINC000840345829 653683330 /nfs/dbraw/zinc/68/33/30/653683330.db2.gz SGVXBARNIHFFOH-HZSPNIEDSA-N 0 1 379.210 2.400 20 30 GEEDMN CCc1[nH]nc(Cl)c1C=NNc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000863079658 653701975 /nfs/dbraw/zinc/70/19/75/653701975.db2.gz VTOJMHKVAYXSQZ-UHFFFAOYSA-N 0 1 382.877 2.251 20 30 GEEDMN CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1cc(Br)cc(F)c1O ZINC000863135212 653702898 /nfs/dbraw/zinc/70/28/98/653702898.db2.gz YSHLBYUXFJUSOY-SNVBAGLBSA-N 0 1 379.251 2.185 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000840952048 653703456 /nfs/dbraw/zinc/70/34/56/653703456.db2.gz PVHVTAUQSZEIKF-UHFFFAOYSA-N 0 1 385.873 2.323 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000841194671 653710065 /nfs/dbraw/zinc/71/00/65/653710065.db2.gz OUTHQVIJKILDEU-ONGXEEELSA-N 0 1 393.270 2.201 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000841225968 653711090 /nfs/dbraw/zinc/71/10/90/653711090.db2.gz LWSZSTHXISVWHF-PSASIEDQSA-N 0 1 393.270 2.201 20 30 GEEDMN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000843459497 653787344 /nfs/dbraw/zinc/78/73/44/653787344.db2.gz FKPRDHLHAZRIOM-SWLSCSKDSA-N 0 1 388.269 2.093 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000844194056 653802948 /nfs/dbraw/zinc/80/29/48/653802948.db2.gz VTYJDYDHHWYWFH-RISCZKNCSA-N 0 1 391.294 2.343 20 30 GEEDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883104267 653827401 /nfs/dbraw/zinc/82/74/01/653827401.db2.gz UZEVINLKXPAMQD-LLVKDONJSA-N 0 1 396.289 2.025 20 30 GEEDMN C#CCN1CCC(C(=O)N(CCO)Cc2ccc(Br)s2)CC1 ZINC000792003019 653831633 /nfs/dbraw/zinc/83/16/33/653831633.db2.gz FSSVNDUFERLECD-UHFFFAOYSA-N 0 1 385.327 2.177 20 30 GEEDMN C#C[C@@H](NC(=O)N1CCN(C)CCN(C)CC1)c1ccc(Br)cc1 ZINC000895686563 653845976 /nfs/dbraw/zinc/84/59/76/653845976.db2.gz DULKHINEYWTKLZ-QGZVFWFLSA-N 0 1 393.329 2.012 20 30 GEEDMN O=S(=O)(c1ccccc1N=NCc1ccc(Cl)cn1)N1CCOCC1 ZINC000884432345 653876534 /nfs/dbraw/zinc/87/65/34/653876534.db2.gz BNCZAYMIWCANGF-UHFFFAOYSA-N 0 1 380.857 2.202 20 30 GEEDMN O=C(NCCS(=O)(=O)CC(F)(F)F)C(F)(F)c1cc(F)cc(F)c1 ZINC000824457908 653896040 /nfs/dbraw/zinc/89/60/40/653896040.db2.gz CLKBXBMUOWJSEJ-UHFFFAOYSA-N 0 1 381.269 2.150 20 30 GEEDMN C#C[C@H]1CCCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000847022638 653915446 /nfs/dbraw/zinc/91/54/46/653915446.db2.gz IIRCEZQTCKRRIQ-AWEZNQCLSA-N 0 1 381.307 2.382 20 30 GEEDMN Cc1nn[nH]c1C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885286761 653922627 /nfs/dbraw/zinc/92/26/27/653922627.db2.gz HXLIRQFZLMQTMM-WDSKDSINSA-N 0 1 378.223 2.356 20 30 GEEDMN C#CCC1(NS(=O)(=O)c2nc(C)c(Br)s2)CCOCC1 ZINC000885838284 653958963 /nfs/dbraw/zinc/95/89/63/653958963.db2.gz BBRYRFXGXXBEFZ-UHFFFAOYSA-N 0 1 379.301 2.065 20 30 GEEDMN O=C(NCCNCc1c(Cl)nc2cc(Cl)ccn21)C1N=CC=CC1=O ZINC000796309508 653995557 /nfs/dbraw/zinc/99/55/57/653995557.db2.gz XHRPQPGVHNWJRF-JQIJEIRASA-N 0 1 380.235 2.257 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccccc1I ZINC000796989312 654014777 /nfs/dbraw/zinc/01/47/77/654014777.db2.gz PGXAMRQNLIQOFS-CQSZACIVSA-N 0 1 383.229 2.475 20 30 GEEDMN N=C(N)NN=Cc1cc(I)c(Br)cc1F ZINC000799109164 654084882 /nfs/dbraw/zinc/08/48/82/654084882.db2.gz XKDYLTFQZGXIEM-UHFFFAOYSA-N 0 1 384.978 2.010 20 30 GEEDMN CCOc1cc(C=Nn2c(=O)c(C)n[nH]c2=S)cc(Br)c1OC ZINC000916303199 654090740 /nfs/dbraw/zinc/09/07/40/654090740.db2.gz DPVAOURFBUVBPP-UHFFFAOYSA-N 0 1 399.270 2.287 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc3cc(Br)cnc3n2C)CC1 ZINC000830161907 654102464 /nfs/dbraw/zinc/10/24/64/654102464.db2.gz AYQKHSRXYJCOCW-UHFFFAOYSA-N 0 1 375.270 2.163 20 30 GEEDMN Cc1nc(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)sc1C ZINC000901194079 654114090 /nfs/dbraw/zinc/11/40/90/654114090.db2.gz DZQSXQBJEDYHEO-UHFFFAOYSA-N 0 1 380.495 2.227 20 30 GEEDMN N#CCCNC(=O)CN1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000830514766 654123500 /nfs/dbraw/zinc/12/35/00/654123500.db2.gz LROWNOOMXDLMJK-AWEZNQCLSA-N 0 1 397.260 2.185 20 30 GEEDMN COCCCNC(=O)C(C#N)C(=O)Cc1c(F)ccc(Br)c1F ZINC000800384401 654142801 /nfs/dbraw/zinc/14/28/01/654142801.db2.gz AQUODSSDQZZPFA-SNVBAGLBSA-N 0 1 389.196 2.131 20 30 GEEDMN C[C@@H]1CCCN1CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000831191456 654169991 /nfs/dbraw/zinc/16/99/91/654169991.db2.gz UVYYBEJPAQQPIU-SNVBAGLBSA-N 0 1 390.278 2.222 20 30 GEEDMN C#C[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000851827743 654185241 /nfs/dbraw/zinc/18/52/41/654185241.db2.gz PGBGEKDALFBNRG-LBPRGKRZSA-N 0 1 376.793 2.094 20 30 GEEDMN C[C@]1(CS(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)CC1(Cl)Cl ZINC000903129358 654219154 /nfs/dbraw/zinc/21/91/54/654219154.db2.gz ULHBWKZBSPDTTO-CYBMUJFWSA-N 0 1 393.296 2.432 20 30 GEEDMN C#CCCCS(=O)(=O)Nc1ccc2nc(N3CCN(C)CC3)sc2c1 ZINC000903651851 654272790 /nfs/dbraw/zinc/27/27/90/654272790.db2.gz BSQVZKYUJSJXKU-UHFFFAOYSA-N 0 1 378.523 2.203 20 30 GEEDMN COC(=O)c1ccc(Br)c(N=NCc2nnn(C(C)(C)C)n2)c1 ZINC000853349758 654293533 /nfs/dbraw/zinc/29/35/33/654293533.db2.gz HNZZDAHVHDNARO-UHFFFAOYSA-N 0 1 381.234 2.423 20 30 GEEDMN CCCOc1c(Br)cc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1OC ZINC000834506749 654330690 /nfs/dbraw/zinc/33/06/90/654330690.db2.gz VOHRZIQWRROUFX-DGCLKSJQSA-N 0 1 382.258 2.088 20 30 GEEDMN C=CCN(Cc1cc(Br)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000893968719 654434802 /nfs/dbraw/zinc/43/48/02/654434802.db2.gz LBQLJLYTBXPUJJ-GFCCVEGCSA-N 0 1 378.263 2.469 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(I)c(Cl)c1 ZINC000926219509 654563646 /nfs/dbraw/zinc/56/36/46/654563646.db2.gz POIOKUYOWSGWMG-CPCISQLKSA-N 0 1 390.612 2.178 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cccc(F)c2I)CC1 ZINC000928655564 654654783 /nfs/dbraw/zinc/65/47/83/654654783.db2.gz ZIIKHPMIPOGSFC-UHFFFAOYSA-N 0 1 386.208 2.258 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(I)ccc2F)CC1 ZINC000928656490 654654860 /nfs/dbraw/zinc/65/48/60/654654860.db2.gz WMCSVUXPUWYQCO-UHFFFAOYSA-N 0 1 386.208 2.258 20 30 GEEDMN C[C@@](O)(CN1CCC(C(=O)NCC(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000929166287 654674087 /nfs/dbraw/zinc/67/40/87/654674087.db2.gz NGIAQLAWQRWTIY-SNVBAGLBSA-N 0 1 386.283 2.326 20 30 GEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932811251 654791457 /nfs/dbraw/zinc/79/14/57/654791457.db2.gz IFJNYHLMLPNAJQ-KSSFIOAISA-N 0 1 394.313 2.493 20 30 GEEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932811250 654791561 /nfs/dbraw/zinc/79/15/61/654791561.db2.gz IFJNYHLMLPNAJQ-KDOFPFPSSA-N 0 1 394.313 2.493 20 30 GEEDMN CN(C)CC#CCNC(=O)c1ccc(Cn2cc(Br)cn2)s1 ZINC000913524528 654797019 /nfs/dbraw/zinc/79/70/19/654797019.db2.gz QDHYRTKJECAQBM-UHFFFAOYSA-N 0 1 381.299 2.050 20 30 GEEDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2 ZINC001164685587 719731514 /nfs/dbraw/zinc/73/15/14/719731514.db2.gz MLMXXIDBCAJECO-UHFFFAOYSA-N 0 1 397.857 2.332 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(Cl)c4C#N)C3)O2)CC1 ZINC001164890938 721395874 /nfs/dbraw/zinc/39/58/74/721395874.db2.gz PKOZYZLWEFGKJU-OXJNMPFZSA-N 0 1 389.931 2.372 20 30 GEEDMN Cc1nc(C#N)cnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960739 722058908 /nfs/dbraw/zinc/05/89/08/722058908.db2.gz KDLPVBNGSXLAFN-UHFFFAOYSA-N 0 1 378.480 2.171 20 30 GEEDMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)CCN1C ZINC000155239028 531668569 /nfs/dbraw/zinc/66/85/69/531668569.db2.gz COTIKVHMZBYOID-SMDDNHRTSA-N 0 1 386.315 2.424 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1n[nH]c(CC)n1 ZINC000125739417 532141453 /nfs/dbraw/zinc/14/14/53/532141453.db2.gz CSUJAGJKXJZPKS-UHFFFAOYSA-N 0 1 394.229 2.417 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nc(CC)n[nH]1 ZINC000125739417 532141458 /nfs/dbraw/zinc/14/14/58/532141458.db2.gz CSUJAGJKXJZPKS-UHFFFAOYSA-N 0 1 394.229 2.417 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000180933873 532285888 /nfs/dbraw/zinc/28/58/88/532285888.db2.gz ZMMXDQPJHRHODD-CYBMUJFWSA-N 0 1 396.270 2.355 20 30 GEEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000516796243 532390560 /nfs/dbraw/zinc/39/05/60/532390560.db2.gz QSOCITWJMCSCLP-GFCCVEGCSA-N 0 1 378.431 2.213 20 30 GEEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000516796243 532390564 /nfs/dbraw/zinc/39/05/64/532390564.db2.gz QSOCITWJMCSCLP-GFCCVEGCSA-N 0 1 378.431 2.213 20 30 GEEDMN C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1csc(Cc2ccccc2)n1 ZINC000560075642 532412955 /nfs/dbraw/zinc/41/29/55/532412955.db2.gz FVLCZUCRLLGJDS-UHFFFAOYSA-N 0 1 376.463 2.191 20 30 GEEDMN CN(c1ccccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1)S(C)(=O)=O ZINC000466292457 532425077 /nfs/dbraw/zinc/42/50/77/532425077.db2.gz APBLHDOFPDXORO-UHFFFAOYSA-N 0 1 399.881 2.408 20 30 GEEDMN N#CCCSc1ccccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000518643353 532445520 /nfs/dbraw/zinc/44/55/20/532445520.db2.gz BJGCJQCNYVLMGF-UHFFFAOYSA-N 0 1 397.503 2.141 20 30 GEEDMN CN1CCC(C#N)(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000593113649 532470455 /nfs/dbraw/zinc/47/04/55/532470455.db2.gz ZQAFGMYLQAAXKJ-ZDUSSCGKSA-N 0 1 378.270 2.419 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000593901661 532501737 /nfs/dbraw/zinc/50/17/37/532501737.db2.gz QRMDDEVSEMVKBG-UHFFFAOYSA-N 0 1 391.225 2.358 20 30 GEEDMN CN(CC#Cc1cccc(Cl)c1)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000433062684 532554251 /nfs/dbraw/zinc/55/42/51/532554251.db2.gz VDYKXJWRYSFSSA-UHFFFAOYSA-N 0 1 378.881 2.350 20 30 GEEDMN C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000432870214 532547178 /nfs/dbraw/zinc/54/71/78/532547178.db2.gz BJPXOURLCXPKGI-LBPRGKRZSA-N 0 1 386.315 2.331 20 30 GEEDMN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccc(Cl)cc1 ZINC000565711760 532573311 /nfs/dbraw/zinc/57/33/11/532573311.db2.gz GKDDSQJEZOZEPW-CYBMUJFWSA-N 0 1 379.869 2.437 20 30 GEEDMN C[C@H](NC[C@H](O)CN(C)CCC#N)c1cc2c(cc1Br)OCCO2 ZINC000566673755 532623865 /nfs/dbraw/zinc/62/38/65/532623865.db2.gz ZHOUQCIVLKYNAU-STQMWFEESA-N 0 1 398.301 2.077 20 30 GEEDMN C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436539313 532637263 /nfs/dbraw/zinc/63/72/63/532637263.db2.gz NNDMSJBLIJBNIS-JTQLQIEISA-N 0 1 379.825 2.488 20 30 GEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000568763381 532686602 /nfs/dbraw/zinc/68/66/02/532686602.db2.gz HXVBCKOSNPZTOF-LBPRGKRZSA-N 0 1 386.905 2.201 20 30 GEEDMN C=CCN1CC[C@H](N(C)CCC(=O)Nc2ccc(Br)cc2)C1=O ZINC000499989925 532729308 /nfs/dbraw/zinc/72/93/08/532729308.db2.gz VGSONNLEQIFAAP-HNNXBMFYSA-N 0 1 380.286 2.496 20 30 GEEDMN C#CCN1CCC(C(=O)N2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000299452878 532718898 /nfs/dbraw/zinc/71/88/98/532718898.db2.gz RJIVOBNLEDTKJX-UHFFFAOYSA-N 0 1 390.325 2.443 20 30 GEEDMN COc1cc(CNCCNS(=O)(=O)c2cc(C)sc2C)ccc1C#N ZINC000440627214 532719800 /nfs/dbraw/zinc/71/98/00/532719800.db2.gz SOKCJVYRMMISFL-UHFFFAOYSA-N 0 1 379.507 2.313 20 30 GEEDMN CS(=O)(=O)[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000502840654 532741315 /nfs/dbraw/zinc/74/13/15/532741315.db2.gz DCDQUJHZLQYCEP-OAHLLOKOSA-N 0 1 383.901 2.439 20 30 GEEDMN C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)N1CCc2sccc2C1 ZINC000301359722 532750171 /nfs/dbraw/zinc/75/01/71/532750171.db2.gz PSUUURDKGOZQSG-LBPRGKRZSA-N 0 1 376.507 2.126 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)Nc1ccc(CC(N)=O)cc1 ZINC000550108089 532797738 /nfs/dbraw/zinc/79/77/38/532797738.db2.gz VTQJHNJOEPWOCF-UHFFFAOYSA-N 0 1 394.250 2.149 20 30 GEEDMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000331467906 532840387 /nfs/dbraw/zinc/84/03/87/532840387.db2.gz HVFWLHJQKBGKBU-CMPLNLGQSA-N 0 1 384.299 2.224 20 30 GEEDMN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415571740 532850257 /nfs/dbraw/zinc/85/02/57/532850257.db2.gz UENVTWRGXHQEHE-RYUDHWBXSA-N 0 1 396.285 2.161 20 30 GEEDMN CCc1nc([C@@H]2CN(C(=O)c3cccc(C#N)c3Br)CCO2)n[nH]1 ZINC000332377619 532853509 /nfs/dbraw/zinc/85/35/09/532853509.db2.gz YCXLPXWYPLSKJW-LBPRGKRZSA-N 0 1 390.241 2.215 20 30 GEEDMN CCc1nc([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2C#N)n[nH]1 ZINC000416444294 532877367 /nfs/dbraw/zinc/87/73/67/532877367.db2.gz XUFDCSXJBIJVMA-MRVPVSSYSA-N 0 1 384.259 2.041 20 30 GEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC(Cn2cc(Br)cn2)CC1 ZINC000367791693 532927286 /nfs/dbraw/zinc/92/72/86/532927286.db2.gz MDLOIIIYIYHUPN-ZDUSSCGKSA-N 0 1 382.306 2.118 20 30 GEEDMN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)ccc1Br ZINC000293695594 532930469 /nfs/dbraw/zinc/93/04/69/532930469.db2.gz PMCUCFAEEZWFGT-ZDUSSCGKSA-N 0 1 388.225 2.176 20 30 GEEDMN C=CCCCCCN(C)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000735408540 598852001 /nfs/dbraw/zinc/85/20/01/598852001.db2.gz NMJVNGDLAATXRM-UHFFFAOYSA-N 0 1 397.483 2.267 20 30 GEEDMN C[C@@H](C#N)COC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000819856300 607323077 /nfs/dbraw/zinc/32/30/77/607323077.db2.gz HKSRJRDDXHOJCE-NSHDSACASA-N 0 1 397.395 2.034 20 30 GEEDMN C[C@H](C#N)COC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000819856276 607323180 /nfs/dbraw/zinc/32/31/80/607323180.db2.gz HKSRJRDDXHOJCE-LLVKDONJSA-N 0 1 397.395 2.034 20 30 GEEDMN O=C1N/C(=N/C2CCCCC2)SC1=Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000738315394 599462243 /nfs/dbraw/zinc/46/22/43/599462243.db2.gz HQVXHTXKIGVCOJ-RIYZIHGNSA-N 0 1 394.464 2.407 20 30 GEEDMN COc1ccc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1C#N ZINC000826195404 607483284 /nfs/dbraw/zinc/48/32/84/607483284.db2.gz SBMMELUWPZOXFH-UHFFFAOYSA-N 0 1 389.463 2.065 20 30 GEEDMN N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@@H]4CCCN4C(=O)[O-])CC3)C2=O)cc1 ZINC000740316428 602282532 /nfs/dbraw/zinc/28/25/32/602282532.db2.gz XFWIFPLGULCBHD-ROUUACIJSA-N 0 1 396.447 2.045 20 30 GEEDMN C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[C@H]1NC(=O)[O-] ZINC000739179028 602775474 /nfs/dbraw/zinc/77/54/74/602775474.db2.gz KZWMKVHTQXAHRA-VHDGCEQUSA-N 0 1 379.420 2.202 20 30 GEEDMN CCOc1ccnc(N2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)n1 ZINC000830117056 604682346 /nfs/dbraw/zinc/68/23/46/604682346.db2.gz OHQWIDSOULTRGN-GOSISDBHSA-N 0 1 381.436 2.085 20 30 GEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000833572810 604861160 /nfs/dbraw/zinc/86/11/60/604861160.db2.gz CZNLSVHWOUYDLC-HRAATJIYSA-N 0 1 398.463 2.106 20 30 GEEDMN CCOCC[C@H](O)CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000444681092 649951647 /nfs/dbraw/zinc/95/16/47/649951647.db2.gz SJRPGOOXJYXQOH-ZWKOTPCHSA-N 0 1 396.329 2.419 20 30 GEEDMN N#CCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000833966665 605365221 /nfs/dbraw/zinc/36/52/21/605365221.db2.gz CGROTEHXANASIV-RTBURBONSA-N 0 1 384.480 2.223 20 30 GEEDMN N#Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)ccc1F ZINC000833970370 605513599 /nfs/dbraw/zinc/51/35/99/605513599.db2.gz NBBMFXSYAOMOEW-MAUKXSAKSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833972962 605521352 /nfs/dbraw/zinc/52/13/52/605521352.db2.gz FLSZXNZWISVONH-YJBOKZPZSA-N 0 1 388.443 2.168 20 30 GEEDMN C[C@@H](N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc(C#N)cc1 ZINC000820420946 606299298 /nfs/dbraw/zinc/29/92/98/606299298.db2.gz YMFLUUHIIZPFIL-IAQYHMDHSA-N 0 1 379.449 2.256 20 30 GEEDMN COC(=O)COc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[nH]n2)cc1 ZINC000826138170 609448755 /nfs/dbraw/zinc/44/87/55/609448755.db2.gz IICPYLBVBWFVNO-UHFFFAOYSA-N 0 1 399.411 2.051 20 30 GEEDMN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000502471752 650406932 /nfs/dbraw/zinc/40/69/32/650406932.db2.gz HEZRYQBOJPVIGK-UHFFFAOYSA-N 0 1 399.881 2.263 20 30 GEEDMN CCc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1S(N)(=O)=O ZINC000479483424 650604710 /nfs/dbraw/zinc/60/47/10/650604710.db2.gz ZSRWTIOIUQWDGG-UHFFFAOYSA-N 0 1 399.881 2.222 20 30 GEEDMN C=CCOC[C@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)OC ZINC000481566135 650648996 /nfs/dbraw/zinc/64/89/96/650648996.db2.gz AJVHHAOEPPTZGY-ZDUSSCGKSA-N 0 1 382.265 2.157 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)CC1 ZINC000530934179 650731476 /nfs/dbraw/zinc/73/14/76/650731476.db2.gz RQJHDLKARDRIII-UHFFFAOYSA-N 0 1 389.253 2.421 20 30 GEEDMN N#C[C@H](C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)c1ccccn1 ZINC000041493263 642530260 /nfs/dbraw/zinc/53/02/60/642530260.db2.gz IWLSBMKPAMUJIZ-ZDUSSCGKSA-N 0 1 384.189 2.317 20 30 GEEDMN N#Cc1cc(S(=O)(=O)Nc2ccccc2OCCC(N)=O)ccc1Cl ZINC000055631380 642775868 /nfs/dbraw/zinc/77/58/68/642775868.db2.gz YJSQZAJRFDXYCX-UHFFFAOYSA-N 0 1 379.825 2.267 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCN(C)CC1 ZINC000097262415 643096035 /nfs/dbraw/zinc/09/60/35/643096035.db2.gz LNTOJACNVUAKSF-UHFFFAOYSA-N 0 1 396.285 2.262 20 30 GEEDMN C#CCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000101916579 643118342 /nfs/dbraw/zinc/11/83/42/643118342.db2.gz OSPNWIYPSPZOCW-CYBMUJFWSA-N 0 1 392.297 2.238 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCC[S@](=O)Cc2ccccc2)c(F)c1 ZINC000125280847 643704313 /nfs/dbraw/zinc/70/43/13/643704313.db2.gz URXGGGJSQOXVLC-XMMPIXPASA-N 0 1 384.429 2.064 20 30 GEEDMN CCn1c(SCC(=O)C(C#N)C(=O)NC(C)C)nnc1-c1cccs1 ZINC000130845891 643853001 /nfs/dbraw/zinc/85/30/01/643853001.db2.gz KEFKWLRVGQDNGL-LLVKDONJSA-N 0 1 377.495 2.352 20 30 GEEDMN C#CCCCCNS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000163187758 644251383 /nfs/dbraw/zinc/25/13/83/644251383.db2.gz SCKFQMFLMVSMKS-UHFFFAOYSA-N 0 1 380.285 2.379 20 30 GEEDMN C[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1 ZINC000248973762 645544903 /nfs/dbraw/zinc/54/49/03/645544903.db2.gz DOSKWOSYWGJFIV-JKSUJKDBSA-N 0 1 378.567 2.284 20 30 GEEDMN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000271717712 646224358 /nfs/dbraw/zinc/22/43/58/646224358.db2.gz CMYBQNHDYRYRGA-LFPIHBKWSA-N 0 1 376.503 2.420 20 30 GEEDMN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000330384869 647333745 /nfs/dbraw/zinc/33/37/45/647333745.db2.gz KWKRBPQWNHOGBD-INMHGKMJSA-N 0 1 384.571 2.447 20 30 GEEDMN CN(C)c1ncc(Br)cc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000330832048 647354859 /nfs/dbraw/zinc/35/48/59/647354859.db2.gz HEZSEXLBKSIALU-ZDUSSCGKSA-N 0 1 385.306 2.062 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1Br ZINC000365425883 647668063 /nfs/dbraw/zinc/66/80/63/647668063.db2.gz GHADZVVHMPXNPB-NSHDSACASA-N 0 1 396.270 2.007 20 30 GEEDMN C=CCNC(=O)[C@@H](C)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000425509152 648682339 /nfs/dbraw/zinc/68/23/39/648682339.db2.gz KIMAUWLRPXGJDF-UHOFOFEASA-N 0 1 395.297 2.328 20 30 GEEDMN CNC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2C#N)cc1 ZINC000555532035 651227604 /nfs/dbraw/zinc/22/76/04/651227604.db2.gz XJDUBPZDSNXHNO-UHFFFAOYSA-N 0 1 394.250 2.481 20 30 GEEDMN CC1CCN(CCNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000559640748 651299906 /nfs/dbraw/zinc/29/99/06/651299906.db2.gz ZSUFEZTVQOPUGO-UHFFFAOYSA-N 0 1 386.315 2.331 20 30 GEEDMN N#Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)cc1F ZINC000562237154 651490542 /nfs/dbraw/zinc/49/05/42/651490542.db2.gz VMYDZRCNMVXDAG-UHFFFAOYSA-N 0 1 398.213 2.360 20 30 GEEDMN CS(=O)(=O)N1CCCC[C@@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420140 651600922 /nfs/dbraw/zinc/60/09/22/651600922.db2.gz ABIIWBWERKLGLG-WCQYABFASA-N 0 1 381.454 2.426 20 30 GEEDMN CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c(F)c1 ZINC000609106260 651609752 /nfs/dbraw/zinc/60/97/52/651609752.db2.gz BBYVVJWHYQNGIR-UHFFFAOYSA-N 0 1 387.389 2.009 20 30 GEEDMN COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)C(C)C#N ZINC000569613829 651720556 /nfs/dbraw/zinc/72/05/56/651720556.db2.gz UUMGBFDVWXFEKG-OTYXRUKQSA-N 0 1 378.226 2.290 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1Br ZINC000733990896 651732882 /nfs/dbraw/zinc/73/28/82/651732882.db2.gz HXOIDAYOCZUDIY-CQSZACIVSA-N 0 1 388.269 2.331 20 30 GEEDMN C#CCNC(=O)CN1CCN(CC/C=C\c2ccc(Br)cc2)CC1 ZINC000735309171 651776437 /nfs/dbraw/zinc/77/64/37/651776437.db2.gz HWWVIKATIATMCF-HYXAFXHYSA-N 0 1 390.325 2.219 20 30 GEEDMN CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccnc1Cl ZINC000738365952 651893288 /nfs/dbraw/zinc/89/32/88/651893288.db2.gz NPKIXAFXRYRNGA-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN C#CCC[NH+]1CCC(NC(=O)c2cc(I)ccc2[O-])CC1 ZINC000743493104 652021427 /nfs/dbraw/zinc/02/14/27/652021427.db2.gz HPDFGAJAHXLSGY-UHFFFAOYSA-N 0 1 398.244 2.214 20 30 GEEDMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000581101118 652401767 /nfs/dbraw/zinc/40/17/67/652401767.db2.gz UNDSNUBISLTPDB-UHFFFAOYSA-N 0 1 385.917 2.333 20 30 GEEDMN O=C([O-])COc1ccc(C=NNC2=[NH+][C@H]3CCCC[C@H]3N2)cc1Br ZINC000753941146 652421004 /nfs/dbraw/zinc/42/10/04/652421004.db2.gz XRLSYBPIXDKTRD-BETUJISGSA-N 0 1 395.257 2.106 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000756554349 652500667 /nfs/dbraw/zinc/50/06/67/652500667.db2.gz YVLCWEKCDQATHO-RYUDHWBXSA-N 0 1 399.310 2.270 20 30 GEEDMN COc1ccc(NS(=O)(=O)c2cc(C(=O)NCC#N)ccc2Cl)cc1 ZINC000757912234 652525174 /nfs/dbraw/zinc/52/51/74/652525174.db2.gz HMPHKACNJKTMRR-UHFFFAOYSA-N 0 1 379.825 2.403 20 30 GEEDMN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C#N)ccc1O ZINC000759718401 652584570 /nfs/dbraw/zinc/58/45/70/652584570.db2.gz VGNADAUCMDBPBA-JTQLQIEISA-N 0 1 379.825 2.223 20 30 GEEDMN N#CC[C@@]1(O)CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)C1 ZINC000592842659 652604551 /nfs/dbraw/zinc/60/45/51/652604551.db2.gz JCFWVJAOJAHUNQ-MRXNPFEDSA-N 0 1 375.226 2.330 20 30 GEEDMN N#CC1(c2ccc(CNC[C@@H](O)CS(=O)(=O)c3cccs3)cc2)CC1 ZINC000594961352 652698267 /nfs/dbraw/zinc/69/82/67/652698267.db2.gz XRAYFCQHAREDLQ-MRXNPFEDSA-N 0 1 376.503 2.228 20 30 GEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000673743029 652875966 /nfs/dbraw/zinc/87/59/66/652875966.db2.gz YBAQMOJARPPBIT-UHFFFAOYSA-N 0 1 376.276 2.395 20 30 GEEDMN C=CCNC(=O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(OC)c2)cc1 ZINC000767448117 652926028 /nfs/dbraw/zinc/92/60/28/652926028.db2.gz FRPBFDITEXTLMY-UHFFFAOYSA-N 0 1 381.841 2.460 20 30 GEEDMN Cc1ccc(Br)c2ncc(C#N)c(N3CC(N4CC[C@@H](O)C4)C3)c12 ZINC000601184616 653082446 /nfs/dbraw/zinc/08/24/46/653082446.db2.gz MTAUHBPBHWXOQS-CQSZACIVSA-N 0 1 387.281 2.433 20 30 GEEDMN C=CCC[C@@H](NS(=O)(=O)Cc1ncsc1Br)C(=O)OCC ZINC000601432040 653094730 /nfs/dbraw/zinc/09/47/30/653094730.db2.gz JGKSMCDALPANHI-SECBINFHSA-N 0 1 397.316 2.223 20 30 GEEDMN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(N2CCCOCC2)CC1 ZINC000601439415 653095482 /nfs/dbraw/zinc/09/54/82/653095482.db2.gz GYDGIEQOSYZQOW-UHFFFAOYSA-N 0 1 383.901 2.087 20 30 GEEDMN Cc1[nH]ncc1CN(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000602175037 653154808 /nfs/dbraw/zinc/15/48/08/653154808.db2.gz ZLCYVMJQBVPSMC-UHFFFAOYSA-N 0 1 388.269 2.447 20 30 GEEDMN C#C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000773057223 653177633 /nfs/dbraw/zinc/17/76/33/653177633.db2.gz PLKRDAMZWLNDFS-PWSUYJOCSA-N 0 1 379.221 2.361 20 30 GEEDMN C#C[C@H](CCC)NS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC000770393565 653211249 /nfs/dbraw/zinc/21/12/49/653211249.db2.gz PKLAYSFWVDRGBX-MRVPVSSYSA-N 0 1 380.285 2.377 20 30 GEEDMN C#CCN1CCN(C(=O)CN[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000775397498 653312696 /nfs/dbraw/zinc/31/26/96/653312696.db2.gz VFSLVDGORUDNKW-CYBMUJFWSA-N 0 1 382.277 2.016 20 30 GEEDMN COC(=O)c1cc(Br)c(S(=O)(=O)NCC(C)(C)C#N)s1 ZINC000778065169 653423690 /nfs/dbraw/zinc/42/36/90/653423690.db2.gz KKEUBWQMXRLEAK-UHFFFAOYSA-N 0 1 381.273 2.125 20 30 GEEDMN O=C(CCNC(=O)C1N=CC=CC1=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682254 653610088 /nfs/dbraw/zinc/61/00/88/653610088.db2.gz AGKWSIWRIPPARQ-JQIJEIRASA-N 0 1 384.219 2.232 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCCN1CCC1 ZINC000861384664 653656299 /nfs/dbraw/zinc/65/62/99/653656299.db2.gz BHKMAAFLXQNOGD-UHFFFAOYSA-N 0 1 383.242 2.347 20 30 GEEDMN C#CCSCCNC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000880445365 653706282 /nfs/dbraw/zinc/70/62/82/653706282.db2.gz AOZJMEROGWKIIW-UHFFFAOYSA-N 0 1 377.363 2.492 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NCCN2CC[C@@H](O)C2)s1 ZINC000863317892 653706404 /nfs/dbraw/zinc/70/64/04/653706404.db2.gz QWZOWLIAMSSSPW-GFCCVEGCSA-N 0 1 375.947 2.021 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(Cl)cc1I ZINC000841145839 653707704 /nfs/dbraw/zinc/70/77/04/653707704.db2.gz WJTYKTVNQUVPPA-RDDDGLTNSA-N 0 1 390.612 2.178 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000841241421 653712067 /nfs/dbraw/zinc/71/20/67/653712067.db2.gz NDUSTDQUPJJFJL-SVRRBLITSA-N 0 1 378.152 2.096 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000841251388 653712461 /nfs/dbraw/zinc/71/24/61/653712461.db2.gz UGCGXYGMYQOAIF-WRWORJQWSA-N 0 1 390.612 2.178 20 30 GEEDMN CC(C)(C)OC(=O)CCNN=C1C(=O)Nc2cc(O)c(Br)cc21 ZINC000841633401 653738142 /nfs/dbraw/zinc/73/81/42/653738142.db2.gz VYAZVVYZWFYDGS-UHFFFAOYSA-N 0 1 384.230 2.132 20 30 GEEDMN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(Br)[nH]n2)CC1 ZINC000819990901 653764301 /nfs/dbraw/zinc/76/43/01/653764301.db2.gz MOXTYNZBKOSJFU-AWEZNQCLSA-N 0 1 392.232 2.334 20 30 GEEDMN C#C[C@H](NC(=O)N1CCN(CC(C)(C)O)CC1)c1ccc(Br)cc1 ZINC000820616218 653778475 /nfs/dbraw/zinc/77/84/75/653778475.db2.gz GVIOAAQTMZUJQO-INIZCTEOSA-N 0 1 394.313 2.222 20 30 GEEDMN C#Cc1cccc(NC(=O)CN(C)C(=O)c2n[nH]c(CC)c2Br)c1 ZINC000789900946 653782541 /nfs/dbraw/zinc/78/25/41/653782541.db2.gz TZOWDKTUUXPOSJ-UHFFFAOYSA-N 0 1 389.253 2.427 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H]1CCN1CC ZINC000882483501 653784394 /nfs/dbraw/zinc/78/43/94/653784394.db2.gz BYJVVWDZZNASMN-CYBMUJFWSA-N 0 1 396.285 2.309 20 30 GEEDMN Cn1cc(CN[C@H]2Cc3ccc(C#N)cc3C2)c(I)n1 ZINC000895466197 653836483 /nfs/dbraw/zinc/83/64/83/653836483.db2.gz GKGDIQJFXPPTAD-AWEZNQCLSA-N 0 1 378.217 2.153 20 30 GEEDMN C=CCN(C(=O)c1cnc(I)c(O)c1)[C@@H](C)COC ZINC000824408465 653894336 /nfs/dbraw/zinc/89/43/36/653894336.db2.gz NUFQSIDCXIQOJH-VIFPVBQESA-N 0 1 376.194 2.055 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)C[C@H]1N1CCCC1 ZINC000885117457 653913145 /nfs/dbraw/zinc/91/31/45/653913145.db2.gz ZPUMJNRJRZIUDX-MSOLQXFVSA-N 0 1 379.551 2.343 20 30 GEEDMN C#CCSCC(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000885896426 653962728 /nfs/dbraw/zinc/96/27/28/653962728.db2.gz DXZPJZBXCBLKKP-UHFFFAOYSA-N 0 1 378.519 2.084 20 30 GEEDMN C#CCN1CCC(NC(=O)C[C@H]2C(=O)Nc3c2cccc3Br)CC1 ZINC000830163056 654102686 /nfs/dbraw/zinc/10/26/86/654102686.db2.gz UEPCWEGQCYUZOS-CQSZACIVSA-N 0 1 390.281 2.089 20 30 GEEDMN C=C(Cl)C[C@@H](NS(=O)(=O)Cc1noc2c1CCCC2)C(=O)OCC ZINC000918543184 654154532 /nfs/dbraw/zinc/15/45/32/654154532.db2.gz COZDVUCVVDWKHX-GFCCVEGCSA-N 0 1 376.862 2.047 20 30 GEEDMN N#Cc1nc(NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)ccc1Br ZINC000902904464 654202651 /nfs/dbraw/zinc/20/26/51/654202651.db2.gz KQPUYIOQXXDPTA-YPMHNXCESA-N 0 1 396.314 2.417 20 30 GEEDMN CCOP(=O)(OCC)[C@H](O)CN1CCN(c2snc(C)c2C#N)CC1 ZINC000852061888 654215857 /nfs/dbraw/zinc/21/58/57/654215857.db2.gz SYWZRAOOPLLYTG-AWEZNQCLSA-N 0 1 388.430 2.030 20 30 GEEDMN C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000803540040 654283327 /nfs/dbraw/zinc/28/33/27/654283327.db2.gz QVGRTYMHBXAVRW-MRXNPFEDSA-N 0 1 394.313 2.273 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000834505763 654330831 /nfs/dbraw/zinc/33/08/31/654330831.db2.gz NQJHZAABAWUKEX-WCBMZHEXSA-N 0 1 378.148 2.189 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)cc1Br ZINC000922025390 654357003 /nfs/dbraw/zinc/35/70/03/654357003.db2.gz ZOOJRMNLEXMELC-UHFFFAOYSA-N 0 1 389.290 2.306 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000905855232 654385450 /nfs/dbraw/zinc/38/54/50/654385450.db2.gz JKLHSHSPOKWNSA-ZWNOBZJWSA-N 0 1 382.258 2.263 20 30 GEEDMN N#CCCN1CCN(Cn2ccc(=O)c3cccc(Br)c32)CC1 ZINC000872734650 654393896 /nfs/dbraw/zinc/39/38/96/654393896.db2.gz QYRSBLJNWOKXCF-UHFFFAOYSA-N 0 1 375.270 2.253 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NCc2n[nH]c(COC)n2)s1 ZINC000855516737 654423213 /nfs/dbraw/zinc/42/32/13/654423213.db2.gz BXHBHPIEAZGMLW-UHFFFAOYSA-N 0 1 387.918 2.420 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NCc2nnc(COC)[nH]2)s1 ZINC000855516737 654423219 /nfs/dbraw/zinc/42/32/19/654423219.db2.gz BXHBHPIEAZGMLW-UHFFFAOYSA-N 0 1 387.918 2.420 20 30 GEEDMN C#C[C@H](NC(=O)c1cccc(I)c1O)C1CCOCC1 ZINC000856103981 654461502 /nfs/dbraw/zinc/46/15/02/654461502.db2.gz QHLAJUXJWQXILR-ZDUSSCGKSA-N 0 1 385.201 2.155 20 30 GEEDMN C#CCN1CCC(NC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000923935216 654489902 /nfs/dbraw/zinc/48/99/02/654489902.db2.gz BOBVXCBGJSIPJF-RCCFBDPRSA-N 0 1 388.309 2.484 20 30 GEEDMN C#CCN1CCC(NC(=O)NCc2cc(Br)cc(OC)c2)CC1 ZINC000926293199 654567253 /nfs/dbraw/zinc/56/72/53/654567253.db2.gz JVIJCPVKUNYCAA-UHFFFAOYSA-N 0 1 380.286 2.355 20 30 GEEDMN CN1CCC2(CCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000907854233 654583382 /nfs/dbraw/zinc/58/33/82/654583382.db2.gz VPNCHJITRALLOU-UHFFFAOYSA-N 0 1 384.299 2.180 20 30 GEEDMN CN1CCC2(CCN2S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000907855886 654583844 /nfs/dbraw/zinc/58/38/44/654583844.db2.gz OCNHOWZGUJMYKC-UHFFFAOYSA-N 0 1 384.299 2.180 20 30 GEEDMN C#CCN1CCC(NC(=O)c2scc(C)c2I)CC1 ZINC000928652486 654654393 /nfs/dbraw/zinc/65/43/93/654654393.db2.gz AEYOXHMKJZBPBH-UHFFFAOYSA-N 0 1 388.274 2.489 20 30 GEEDMN C#CCN1CCC(NC(=O)c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000928657832 654654618 /nfs/dbraw/zinc/65/46/18/654654618.db2.gz AVCCHKCCEFFFNC-UHFFFAOYSA-N 0 1 379.254 2.048 20 30 GEEDMN C#CCN1CCC(NC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CC1 ZINC000932089056 654766506 /nfs/dbraw/zinc/76/65/06/654766506.db2.gz JKVWNTOXEHSGQC-UHFFFAOYSA-N 0 1 383.346 2.411 20 30 GEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934498875 654851479 /nfs/dbraw/zinc/85/14/79/654851479.db2.gz HGQUXBAURGZGTB-IRXDYDNUSA-N 0 1 382.302 2.301 20 30 GEEDMN CCc1nc(C#N)c(C#N)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164864237 721017935 /nfs/dbraw/zinc/01/79/35/721017935.db2.gz WSJNJJLASGJZGN-AWEZNQCLSA-N 0 1 378.484 2.400 20 30 GEEDMN COc1cc(C#N)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164798563 721558468 /nfs/dbraw/zinc/55/84/68/721558468.db2.gz BLCPYPQAWOCBRU-IRFCIJBXSA-N 0 1 379.464 2.225 20 30 GEEDMN N#Cc1cnc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981756 722106608 /nfs/dbraw/zinc/10/66/08/722106608.db2.gz MFPUMOHTQGPUTM-RDJZCZTQSA-N 0 1 384.871 2.124 20 30 GEEDMN C=CCC[C@H](O)CN1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000165369894 531871351 /nfs/dbraw/zinc/87/13/51/531871351.db2.gz XHCOGXCACFOFDN-KRWDZBQOSA-N 0 1 396.329 2.332 20 30 GEEDMN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1cccs1 ZINC000173324181 532003977 /nfs/dbraw/zinc/00/39/77/532003977.db2.gz JUNKLCJIFFKIQE-CXAGYDPISA-N 0 1 376.507 2.376 20 30 GEEDMN C[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)N(C)C ZINC000126905256 532151779 /nfs/dbraw/zinc/15/17/79/532151779.db2.gz UIOKTTKTLUECJG-BBRMVZONSA-N 0 1 379.302 2.108 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NC2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000177136209 532162595 /nfs/dbraw/zinc/16/25/95/532162595.db2.gz RHIZUEGERFBGOO-UHFFFAOYSA-N 0 1 383.342 2.141 20 30 GEEDMN C[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(OCC#N)cc1 ZINC000182061567 532308434 /nfs/dbraw/zinc/30/84/34/532308434.db2.gz JMHXRFQQTJOCSY-UKRRQHHQSA-N 0 1 380.491 2.136 20 30 GEEDMN C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ccc(Br)cc1[O-] ZINC000186039891 532339629 /nfs/dbraw/zinc/33/96/29/532339629.db2.gz IYFZCUGUBSLIKO-JRELAMLQSA-N 0 1 380.242 2.332 20 30 GEEDMN CN1CCC[C@@H](CNS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1cccs1 ZINC000518843019 532447541 /nfs/dbraw/zinc/44/75/41/532447541.db2.gz QDFOINXITSDNBN-WMLDXEAASA-N 0 1 376.507 2.376 20 30 GEEDMN COc1cc(Br)cc(CN2CCC(n3cnc(C#N)n3)CC2)c1O ZINC000373464641 532450181 /nfs/dbraw/zinc/45/01/81/532450181.db2.gz GPFMTKUEZAKHDW-UHFFFAOYSA-N 0 1 392.257 2.464 20 30 GEEDMN N#Cc1ccc(CNCCS(=O)(=O)N2CCSCC2)c(C(F)(F)F)c1 ZINC000562078822 532457740 /nfs/dbraw/zinc/45/77/40/532457740.db2.gz ZIIZFQJBWRFNCU-UHFFFAOYSA-N 0 1 393.456 2.045 20 30 GEEDMN Cc1nc([C@H](C)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n[nH]1 ZINC000592798579 532466496 /nfs/dbraw/zinc/46/64/96/532466496.db2.gz GZUSIIZFMFYJQM-VIFPVBQESA-N 0 1 389.257 2.061 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000593902478 532500901 /nfs/dbraw/zinc/50/09/01/532500901.db2.gz AHHZBKCRYLAIKS-NSHDSACASA-N 0 1 391.225 2.358 20 30 GEEDMN COC(=O)c1cncc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432963691 532550415 /nfs/dbraw/zinc/55/04/15/532550415.db2.gz YRGXFCABRLEDOV-UHFFFAOYSA-N 0 1 396.222 2.303 20 30 GEEDMN Cc1cc([C@@H](C#N)C(=O)c2cc(Br)c(C)n(C)c2=O)nc(C)n1 ZINC000566718339 532624814 /nfs/dbraw/zinc/62/48/14/532624814.db2.gz BJCGPDBPBXIXKT-GFCCVEGCSA-N 0 1 375.226 2.353 20 30 GEEDMN C[C@H](Oc1ccc(F)cc1Br)C(=O)NC1(C#N)CCN(C)CC1 ZINC000603641667 532696601 /nfs/dbraw/zinc/69/66/01/532696601.db2.gz LRGGWXBFGZDHJR-NSHDSACASA-N 0 1 384.249 2.460 20 30 GEEDMN C[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000331179643 532835234 /nfs/dbraw/zinc/83/52/34/532835234.db2.gz GQVIPUJDAUGSPY-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000331428371 532839247 /nfs/dbraw/zinc/83/92/47/532839247.db2.gz BUELBIQAGSMXBT-BONVTDFDSA-N 0 1 384.299 2.082 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1N1CCCC1 ZINC000332085165 532848561 /nfs/dbraw/zinc/84/85/61/532848561.db2.gz QFUMHZREYMZSLR-HUUCEWRRSA-N 0 1 385.942 2.412 20 30 GEEDMN CN(C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccnc1C#N ZINC000277007084 532905827 /nfs/dbraw/zinc/90/58/27/532905827.db2.gz KUCYAVQXXSVWTM-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1OCCc2sccc21 ZINC000292386448 532915774 /nfs/dbraw/zinc/91/57/74/532915774.db2.gz KAQYDEIPLHYMGX-PXAZEXFGSA-N 0 1 377.491 2.081 20 30 GEEDMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CN1C1CC1 ZINC000294052011 532935312 /nfs/dbraw/zinc/93/53/12/532935312.db2.gz JNSHDOYVTFTKDK-MFKMUULPSA-N 0 1 391.269 2.001 20 30 GEEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CCOc1ccc(Oc2ccccc2)cc1 ZINC000737704341 599164511 /nfs/dbraw/zinc/16/45/11/599164511.db2.gz DUGHUCRDPKODSV-UHFFFAOYSA-N 0 1 388.391 2.388 20 30 GEEDMN N#Cc1nc(N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1Cl ZINC000737728681 598275649 /nfs/dbraw/zinc/27/56/49/598275649.db2.gz TYWPNPOQAXHWSR-UHFFFAOYSA-N 0 1 380.843 2.109 20 30 GEEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2CN(C(=O)OC(C)(C)C)C2)o1 ZINC000735850378 598276610 /nfs/dbraw/zinc/27/66/10/598276610.db2.gz CYSMYNDOUCAMPE-UHFFFAOYSA-N 0 1 376.421 2.072 20 30 GEEDMN N#CCCN(C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)c1ccccc1 ZINC000737687224 598504137 /nfs/dbraw/zinc/50/41/37/598504137.db2.gz PCSCWHRHEXICPK-UHFFFAOYSA-N 0 1 399.414 2.128 20 30 GEEDMN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736489336 599314965 /nfs/dbraw/zinc/31/49/65/599314965.db2.gz XWRUMRZSYMDXER-UHFFFAOYSA-N 0 1 383.437 2.361 20 30 GEEDMN CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2cc(-c3cccnc3)n[nH]2)o1 ZINC000819965327 599336499 /nfs/dbraw/zinc/33/64/99/599336499.db2.gz BOORPZWABVQXHJ-UHFFFAOYSA-N 0 1 378.400 2.383 20 30 GEEDMN N#Cc1cccc(OC2CC[NH+](CC(=O)NC3(C(=O)[O-])CCCCC3)CC2)c1 ZINC000739134030 599794914 /nfs/dbraw/zinc/79/49/14/599794914.db2.gz SSGBOSVKTRYIHQ-UHFFFAOYSA-N 0 1 385.464 2.305 20 30 GEEDMN CS(=O)(=O)Nc1cccc2c1CC[N@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000738168742 600566427 /nfs/dbraw/zinc/56/64/27/600566427.db2.gz WDJIWXNNGSELQY-SFHVURJKSA-N 0 1 385.445 2.114 20 30 GEEDMN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000739103880 600566440 /nfs/dbraw/zinc/56/64/40/600566440.db2.gz CYUUNQSHMWFURB-HXUWFJFHSA-N 0 1 381.407 2.210 20 30 GEEDMN C[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737441377 600572691 /nfs/dbraw/zinc/57/26/91/600572691.db2.gz NJVRJXGAJHIGFJ-OAQYLSRUSA-N 0 1 378.476 2.438 20 30 GEEDMN Fc1ccc(C#CCN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826373388 607516624 /nfs/dbraw/zinc/51/66/24/607516624.db2.gz KGXXNTYOYKSXQX-UHFFFAOYSA-N 0 1 376.439 2.175 20 30 GEEDMN C#CC[N@@H+](CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CCCC1 ZINC000825614702 601664421 /nfs/dbraw/zinc/66/44/21/601664421.db2.gz VRNOAYYFTAOTAF-UHFFFAOYSA-N 0 1 378.450 2.358 20 30 GEEDMN C#CC[N@H+](CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C1CCCC1 ZINC000825614702 601664422 /nfs/dbraw/zinc/66/44/22/601664422.db2.gz VRNOAYYFTAOTAF-UHFFFAOYSA-N 0 1 378.450 2.358 20 30 GEEDMN N#Cc1ccc(OCC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000833071734 601731091 /nfs/dbraw/zinc/73/10/91/601731091.db2.gz OFLSUIGHAJXIGH-QFIPXVFZSA-N 0 1 393.443 2.173 20 30 GEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000825977268 601924523 /nfs/dbraw/zinc/92/45/23/601924523.db2.gz BTQCWUMRYDGHFX-CZUORRHYSA-N 0 1 379.457 2.353 20 30 GEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000825977268 601924527 /nfs/dbraw/zinc/92/45/27/601924527.db2.gz BTQCWUMRYDGHFX-CZUORRHYSA-N 0 1 379.457 2.353 20 30 GEEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)CCCNC(=O)[O-])c1C#N ZINC000740033095 603254598 /nfs/dbraw/zinc/25/45/98/603254598.db2.gz XUXQRZIWZYIRLE-UHFFFAOYSA-N 0 1 383.452 2.494 20 30 GEEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)CCCNC(=O)[O-])c1C#N ZINC000740033095 603254600 /nfs/dbraw/zinc/25/46/00/603254600.db2.gz XUXQRZIWZYIRLE-UHFFFAOYSA-N 0 1 383.452 2.494 20 30 GEEDMN N#Cc1cccc(-c2nnc(C[NH+]3CCC(OCCCNC(=O)[O-])CC3)o2)c1 ZINC000831145834 604108555 /nfs/dbraw/zinc/10/85/55/604108555.db2.gz BPIVQXARXCMAGX-UHFFFAOYSA-N 0 1 385.424 2.247 20 30 GEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000833417127 604931939 /nfs/dbraw/zinc/93/19/39/604931939.db2.gz MOKPYOASGSXUOA-ZFWWWQNUSA-N 0 1 396.447 2.334 20 30 GEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000833417127 604931940 /nfs/dbraw/zinc/93/19/40/604931940.db2.gz MOKPYOASGSXUOA-ZFWWWQNUSA-N 0 1 396.447 2.334 20 30 GEEDMN CC[C@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833635855 605052673 /nfs/dbraw/zinc/05/26/73/605052673.db2.gz BGZBBYMTXOFRSJ-DOTOQJQBSA-N 0 1 388.468 2.058 20 30 GEEDMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000833626576 605103280 /nfs/dbraw/zinc/10/32/80/605103280.db2.gz PPCSVWIXQMAFJZ-HNNXBMFYSA-N 0 1 397.431 2.351 20 30 GEEDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000833626576 605103284 /nfs/dbraw/zinc/10/32/84/605103284.db2.gz PPCSVWIXQMAFJZ-HNNXBMFYSA-N 0 1 397.431 2.351 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)[O-])C2)c(F)c1 ZINC000833972080 605515208 /nfs/dbraw/zinc/51/52/08/605515208.db2.gz UQTGQHUIASKDKF-MAUKXSAKSA-N 0 1 388.443 2.168 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833977464 606007136 /nfs/dbraw/zinc/00/71/36/606007136.db2.gz ZPCGDYZWPXNKRL-SJLPKXTDSA-N 0 1 391.493 2.186 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833977464 606007138 /nfs/dbraw/zinc/00/71/38/606007138.db2.gz ZPCGDYZWPXNKRL-SJLPKXTDSA-N 0 1 391.493 2.186 20 30 GEEDMN C[C@@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419796 606299438 /nfs/dbraw/zinc/29/94/38/606299438.db2.gz KKCTXYSDFCTCBS-IAQYHMDHSA-N 0 1 379.449 2.256 20 30 GEEDMN Cc1nc(N(C)C)sc1CN=Nc1oc(CC(C)C)nc1-c1nn[nH]n1 ZINC000826327178 607887185 /nfs/dbraw/zinc/88/71/85/607887185.db2.gz WKVCBCUWKQGGHW-UHFFFAOYSA-N 0 1 375.462 2.330 20 30 GEEDMN COc1cc(-c2nn[nH]n2)ccc1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000826172956 608323994 /nfs/dbraw/zinc/32/39/94/608323994.db2.gz GAPDOYYAOFGZLC-UHFFFAOYSA-N 0 1 394.435 2.263 20 30 GEEDMN C=CCOc1ccc(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000823932378 608508010 /nfs/dbraw/zinc/50/80/10/608508010.db2.gz VZABYGZKSDYIPD-UHFFFAOYSA-N 0 1 377.452 2.149 20 30 GEEDMN COc1cc(O)c(CN=Nc2oc(CC(C)C)nc2-c2nn[nH]n2)cc1OC ZINC000826180869 608534317 /nfs/dbraw/zinc/53/43/17/608534317.db2.gz AQHBUOVRNIXYPX-UHFFFAOYSA-N 0 1 387.400 2.222 20 30 GEEDMN N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000826387100 608661578 /nfs/dbraw/zinc/66/15/78/608661578.db2.gz GKBMEPNIUXMFFS-UHFFFAOYSA-N 0 1 377.408 2.182 20 30 GEEDMN CC(C)[N@H+](C)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451425102 650113079 /nfs/dbraw/zinc/11/30/79/650113079.db2.gz FSLFIZQAUMGDIX-UHFFFAOYSA-N 0 1 378.267 2.078 20 30 GEEDMN CC(C)[N@@H+](C)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451425102 650113082 /nfs/dbraw/zinc/11/30/82/650113082.db2.gz FSLFIZQAUMGDIX-UHFFFAOYSA-N 0 1 378.267 2.078 20 30 GEEDMN CC(C)c1nc(CNC(=O)COc2ccc(C#N)c(Br)c2)n[nH]1 ZINC000452426288 650185504 /nfs/dbraw/zinc/18/55/04/650185504.db2.gz WMAVUTRLVJKRKD-UHFFFAOYSA-N 0 1 378.230 2.257 20 30 GEEDMN CCCN1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000510963449 650521899 /nfs/dbraw/zinc/52/18/99/650521899.db2.gz BTGBJRMMHOVHDG-AWEZNQCLSA-N 0 1 386.315 2.473 20 30 GEEDMN C=CCOC[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC000481602675 650650224 /nfs/dbraw/zinc/65/02/24/650650224.db2.gz ADCXNYOECVQMFM-CYBMUJFWSA-N 0 1 382.265 2.157 20 30 GEEDMN N#Cc1ccncc1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000486210091 650708994 /nfs/dbraw/zinc/70/89/94/650708994.db2.gz AIIAXYMCVBVOJN-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN N#Cc1ccncc1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000486210091 650708995 /nfs/dbraw/zinc/70/89/95/650708995.db2.gz AIIAXYMCVBVOJN-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000047281172 642627095 /nfs/dbraw/zinc/62/70/95/642627095.db2.gz UOCGYPVDBZFITB-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN C#Cc1cccc(NC(=O)CN(C)C(=O)c2n[nH]c(C)c2Br)c1 ZINC000108831964 643283183 /nfs/dbraw/zinc/28/31/83/643283183.db2.gz POZQNKNEYMTPSA-UHFFFAOYSA-N 0 1 375.226 2.173 20 30 GEEDMN CN(C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)CCCC#N ZINC000111332609 643333762 /nfs/dbraw/zinc/33/37/62/643333762.db2.gz OUEDLVQSURZZRE-UHFFFAOYSA-N 0 1 388.331 2.446 20 30 GEEDMN N#CC(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1 ZINC000129373032 643821682 /nfs/dbraw/zinc/82/16/82/643821682.db2.gz ZECXXIXABCDERX-LBPRGKRZSA-N 0 1 376.825 2.470 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c(Cl)c1 ZINC000183091127 644979610 /nfs/dbraw/zinc/97/96/10/644979610.db2.gz IRJMMCOCFAAHKC-UHFFFAOYSA-N 0 1 382.850 2.342 20 30 GEEDMN N#CC(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccncn1 ZINC000546859628 651011613 /nfs/dbraw/zinc/01/16/13/651011613.db2.gz NCMIBQKLJYJFHR-LLVKDONJSA-N 0 1 394.128 2.479 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1N(C)C ZINC000271092172 646172541 /nfs/dbraw/zinc/17/25/41/646172541.db2.gz KMHUZCWHXKPYLM-STQMWFEESA-N 0 1 393.456 2.243 20 30 GEEDMN C=CCN1CC[C@@H](N(C)CCC(=O)Nc2ccccc2Br)C1=O ZINC000281282903 646758858 /nfs/dbraw/zinc/75/88/58/646758858.db2.gz IWGZPDTUNZWOMM-OAHLLOKOSA-N 0 1 380.286 2.496 20 30 GEEDMN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000283669400 646826352 /nfs/dbraw/zinc/82/63/52/646826352.db2.gz ZVWPZJRMEMOHSZ-CQSZACIVSA-N 0 1 386.315 2.426 20 30 GEEDMN C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@@H]21 ZINC000367769924 647744155 /nfs/dbraw/zinc/74/41/55/647744155.db2.gz COMSPQLCGSJTQQ-RISCZKNCSA-N 0 1 384.299 2.035 20 30 GEEDMN CN1CC[C@@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@@H]21 ZINC000367769924 647744157 /nfs/dbraw/zinc/74/41/57/647744157.db2.gz COMSPQLCGSJTQQ-RISCZKNCSA-N 0 1 384.299 2.035 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000376275404 647840936 /nfs/dbraw/zinc/84/09/36/647840936.db2.gz PJOVFMUKRJBBRR-LBPRGKRZSA-N 0 1 384.299 2.180 20 30 GEEDMN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)c1Br ZINC000419668328 648360913 /nfs/dbraw/zinc/36/09/13/648360913.db2.gz AMHXNYVBNMEJCY-GFCCVEGCSA-N 0 1 388.225 2.176 20 30 GEEDMN C=CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)Cc1n[nH]c(C)n1 ZINC000427083237 648722994 /nfs/dbraw/zinc/72/29/94/648722994.db2.gz YEGOCAUCBYOBQK-UHFFFAOYSA-N 0 1 378.845 2.185 20 30 GEEDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000739670327 651905050 /nfs/dbraw/zinc/90/50/50/651905050.db2.gz IGNPSFXRHAWZKY-UHFFFAOYSA-N 0 1 383.426 2.260 20 30 GEEDMN C=C(Br)COC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000745538196 652080920 /nfs/dbraw/zinc/08/09/20/652080920.db2.gz WDNALDNHRKDGLS-UHFFFAOYSA-N 0 1 394.243 2.141 20 30 GEEDMN COc1sc(C=NNc2ccc(S(N)(=O)=O)cn2)cc1Br ZINC000746564032 652114432 /nfs/dbraw/zinc/11/44/32/652114432.db2.gz FTAHZZBMQADVGS-UHFFFAOYSA-N 0 1 391.272 2.008 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)CCNCc2cc(Br)cs2)nc1 ZINC000577298476 652177894 /nfs/dbraw/zinc/17/78/94/652177894.db2.gz FRTARJRBEGIFJU-UHFFFAOYSA-N 0 1 386.296 2.341 20 30 GEEDMN C=CCOc1c(Cl)cc(CNCCS(=O)(=O)NC(C)C)cc1OC ZINC000623403777 652235109 /nfs/dbraw/zinc/23/51/09/652235109.db2.gz HDBKIIYEUCBFBK-UHFFFAOYSA-N 0 1 376.906 2.331 20 30 GEEDMN C[C@H]1CCCCN1CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000578428863 652271158 /nfs/dbraw/zinc/27/11/58/652271158.db2.gz LQJBSZQZILONLZ-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN C[C@@H](NCC(=O)Nc1sccc1C#N)c1cccc(NS(C)(=O)=O)c1 ZINC000753909959 652420467 /nfs/dbraw/zinc/42/04/67/652420467.db2.gz IRZGUXPIWVFMBX-LLVKDONJSA-N 0 1 378.479 2.281 20 30 GEEDMN N#CCC[C@H](C#N)CNCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000581982061 652430106 /nfs/dbraw/zinc/43/01/06/652430106.db2.gz DLLNNZFVYOCMPQ-OAHLLOKOSA-N 0 1 380.539 2.498 20 30 GEEDMN C=CCN1C(=O)N=NC1S[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000629161506 652479905 /nfs/dbraw/zinc/47/99/05/652479905.db2.gz JNDBQELRLVYWDU-CYBMUJFWSA-N 0 1 380.495 2.033 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000759322886 652569208 /nfs/dbraw/zinc/56/92/08/652569208.db2.gz ASYHADNNDBLLGG-CQSZACIVSA-N 0 1 389.253 2.284 20 30 GEEDMN N#Cc1sccc1S(=O)(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000593572988 652625230 /nfs/dbraw/zinc/62/52/30/652625230.db2.gz REBGBMIYGWVHOP-UHFFFAOYSA-N 0 1 383.539 2.133 20 30 GEEDMN N#CC1(c2ccc(CNC[C@H](O)CS(=O)(=O)c3cccs3)cc2)CC1 ZINC000594961351 652698430 /nfs/dbraw/zinc/69/84/30/652698430.db2.gz XRAYFCQHAREDLQ-INIZCTEOSA-N 0 1 376.503 2.228 20 30 GEEDMN COc1ccsc1CN=Nc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000764700023 652809618 /nfs/dbraw/zinc/80/96/18/652809618.db2.gz SPITVBBDYGRGPE-UHFFFAOYSA-N 0 1 381.479 2.224 20 30 GEEDMN O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000766600746 652888164 /nfs/dbraw/zinc/88/81/64/652888164.db2.gz MHYYGZSHKDOGQQ-UHFFFAOYSA-N 0 1 397.268 2.376 20 30 GEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000767433700 652925109 /nfs/dbraw/zinc/92/51/09/652925109.db2.gz XVCSCNVZCZRGBD-CYBMUJFWSA-N 0 1 378.431 2.121 20 30 GEEDMN COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000767433700 652925118 /nfs/dbraw/zinc/92/51/18/652925118.db2.gz XVCSCNVZCZRGBD-CYBMUJFWSA-N 0 1 378.431 2.121 20 30 GEEDMN Cc1cc(C[C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)n[nH]1 ZINC000601425315 653094084 /nfs/dbraw/zinc/09/40/84/653094084.db2.gz BQVAMDFXJLSZOP-SNVBAGLBSA-N 0 1 383.271 2.262 20 30 GEEDMN Cn1c(C=NNc2c(Cl)cc(F)cc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000767909603 653095347 /nfs/dbraw/zinc/09/53/47/653095347.db2.gz KUMBHBOYABXURI-UHFFFAOYSA-N 0 1 385.186 2.265 20 30 GEEDMN C#C[C@@H](NC(=O)c1n[nH]c2ccc(I)cc21)[C@H]1CCCO1 ZINC000772883039 653170403 /nfs/dbraw/zinc/17/04/03/653170403.db2.gz QVXRATGDVWTBIV-DGCLKSJQSA-N 0 1 395.200 2.078 20 30 GEEDMN C#C[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)[C@H]1CCCO1 ZINC000773057967 653177740 /nfs/dbraw/zinc/17/77/40/653177740.db2.gz RZQSYLYIDGVYIN-NWDGAFQWSA-N 0 1 380.210 2.186 20 30 GEEDMN Cn1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)c(Br)n1 ZINC000858124794 653349333 /nfs/dbraw/zinc/34/93/33/653349333.db2.gz PWJPMDGDVKKDHY-UHFFFAOYSA-N 0 1 375.274 2.208 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1scc(Br)c1Br ZINC000876801883 653449071 /nfs/dbraw/zinc/44/90/71/653449071.db2.gz KBOHUTJUCKLEAB-IYSWYEEDSA-N 0 1 379.077 2.114 20 30 GEEDMN C[C@]1(Br)C[C@@H]1C(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000860694785 653634315 /nfs/dbraw/zinc/63/43/15/653634315.db2.gz PCOGKJOLOPPQKD-ZOWXZIJZSA-N 0 1 380.198 2.093 20 30 GEEDMN N#CC(C(=O)C[C@@H]1CCCS(=O)(=O)C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000815908944 653668406 /nfs/dbraw/zinc/66/84/06/653668406.db2.gz NMZGFTFXQYAHFE-CMPLNLGQSA-N 0 1 386.832 2.341 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000840951479 653703259 /nfs/dbraw/zinc/70/32/59/653703259.db2.gz AEDIPXYZRLKOBU-UHFFFAOYSA-N 0 1 389.290 2.354 20 30 GEEDMN C[C@H]1CN(C(=O)c2cccc(I)c2O)C[C@H](C)N1CC#N ZINC000880455787 653706471 /nfs/dbraw/zinc/70/64/71/653706471.db2.gz CSRGFFBJRPVCGM-QWRGUYRKSA-N 0 1 399.232 2.055 20 30 GEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000841149703 653707904 /nfs/dbraw/zinc/70/79/04/653707904.db2.gz LEVULPSMXZTVGR-BXUZGUMPSA-N 0 1 378.274 2.282 20 30 GEEDMN C#CCN(C)CCCNC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000818595968 653734391 /nfs/dbraw/zinc/73/43/91/653734391.db2.gz WVXSTZSDOQHBHW-UHFFFAOYSA-N 0 1 377.282 2.121 20 30 GEEDMN C[NH+]1CCN(N=Cc2ccc(Cl)c(I)c2[O-])CC1 ZINC000788699570 653763713 /nfs/dbraw/zinc/76/37/13/653763713.db2.gz WZDMGTGOCDGDHB-UHFFFAOYSA-N 0 1 379.629 2.232 20 30 GEEDMN O=C(NC[C@H](O)C(F)(F)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000882559643 653788420 /nfs/dbraw/zinc/78/84/20/653788420.db2.gz CWUZJFLHAQUQBF-QMMMGPOBSA-N 0 1 378.200 2.361 20 30 GEEDMN N#Cc1nc(NC(=O)N2CCN(C3CCOCC3)CC2)ccc1Br ZINC000883094278 653826404 /nfs/dbraw/zinc/82/64/04/653826404.db2.gz WUDHSMUZDSLVJC-UHFFFAOYSA-N 0 1 394.273 2.044 20 30 GEEDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883104268 653827308 /nfs/dbraw/zinc/82/73/08/653827308.db2.gz UZEVINLKXPAMQD-NSHDSACASA-N 0 1 396.289 2.025 20 30 GEEDMN CC(=NNc1cccc(F)n1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000795006654 653926834 /nfs/dbraw/zinc/92/68/34/653926834.db2.gz RBPRJRAMFBDBQR-UHFFFAOYSA-N 0 1 387.234 2.467 20 30 GEEDMN C=CCOc1c(Cl)cc(CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1OC ZINC000897605397 653930186 /nfs/dbraw/zinc/93/01/86/653930186.db2.gz BJHGZVGFLDIIDN-OCCSQVGLSA-N 0 1 388.917 2.270 20 30 GEEDMN N#Cc1cc(F)ccc1N1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000827419974 653990867 /nfs/dbraw/zinc/99/08/67/653990867.db2.gz GNSNEZKJMIVRCZ-UHFFFAOYSA-N 0 1 395.510 2.278 20 30 GEEDMN C[C@@H](C(=O)C(C#N)c1nc2ccccc2s1)S(=O)(=O)C1CCOCC1 ZINC000796752850 654007171 /nfs/dbraw/zinc/00/71/71/654007171.db2.gz KEHVASVLKBROSO-WCQYABFASA-N 0 1 378.475 2.455 20 30 GEEDMN N#CC(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCCC1 ZINC000796770617 654007924 /nfs/dbraw/zinc/00/79/24/654007924.db2.gz DVNMVEHWZZJEKH-OAHLLOKOSA-N 0 1 382.869 2.225 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(Br)c(Br)c1 ZINC000868202869 654022916 /nfs/dbraw/zinc/02/29/16/654022916.db2.gz FRGUOGPDKBSZBG-HQJQHLMTSA-N 0 1 388.063 2.445 20 30 GEEDMN C[C@H]1CCCN1CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000831191451 654169940 /nfs/dbraw/zinc/16/99/40/654169940.db2.gz UVYYBEJPAQQPIU-JTQLQIEISA-N 0 1 390.278 2.222 20 30 GEEDMN N#Cc1nc(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)ccc1Br ZINC000902904461 654202905 /nfs/dbraw/zinc/20/29/05/654202905.db2.gz KQPUYIOQXXDPTA-DGCLKSJQSA-N 0 1 396.314 2.417 20 30 GEEDMN COC(=O)C1(C#N)CCN(C(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000834202418 654312340 /nfs/dbraw/zinc/31/23/40/654312340.db2.gz XCIXWJBENQIMBI-UHFFFAOYSA-N 0 1 391.225 2.244 20 30 GEEDMN O=S(=O)(c1ncc[nH]1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000921825545 654328025 /nfs/dbraw/zinc/32/80/25/654328025.db2.gz UZCFXCIJRQESHO-OLQVQODUSA-N 0 1 399.263 2.201 20 30 GEEDMN COCc1nc2n(n1)C[C@@H](NCc1cc(C#N)ccc1Br)CC2 ZINC000921838592 654329440 /nfs/dbraw/zinc/32/94/40/654329440.db2.gz IQQZNKRUGPOKHQ-ZDUSSCGKSA-N 0 1 376.258 2.163 20 30 GEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000834493494 654329863 /nfs/dbraw/zinc/32/98/63/654329863.db2.gz DTYDUELABCDSFN-KCJUWKMLSA-N 0 1 397.323 2.404 20 30 GEEDMN CCc1c(C(=O)N[C@H]2CNC[C@H]2C#N)cnn1-c1ccc(Br)cc1 ZINC000834489672 654329870 /nfs/dbraw/zinc/32/98/70/654329870.db2.gz OODDQFIIMGTVRT-ABAIWWIYSA-N 0 1 388.269 2.039 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000834490278 654329904 /nfs/dbraw/zinc/32/99/04/654329904.db2.gz UBTKKWCWPBXYLD-CABZTGNLSA-N 0 1 378.219 2.417 20 30 GEEDMN CSc1ccc(CNCCS(=O)(=O)CC(=O)OC(C)(C)C)cc1C#N ZINC000905465417 654359140 /nfs/dbraw/zinc/35/91/40/654359140.db2.gz PKBREXQSFZXCMD-UHFFFAOYSA-N 0 1 384.523 2.126 20 30 GEEDMN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000905855231 654384977 /nfs/dbraw/zinc/38/49/77/654384977.db2.gz JKLHSHSPOKWNSA-GXFFZTMASA-N 0 1 382.258 2.263 20 30 GEEDMN CN1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000872665427 654387839 /nfs/dbraw/zinc/38/78/39/654387839.db2.gz YBCWKKMVAIYCFR-HUUCEWRRSA-N 0 1 384.299 2.178 20 30 GEEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NCc2ncc(Br)cc2O)C1 ZINC000893575895 654408912 /nfs/dbraw/zinc/40/89/12/654408912.db2.gz KVOGFJZWUQZCTM-ZWNOBZJWSA-N 0 1 397.273 2.398 20 30 GEEDMN Cc1cc(C[C@H](C)NS(=O)(=O)c2ccc(Br)c(C#N)c2)n[nH]1 ZINC000907226034 654521690 /nfs/dbraw/zinc/52/16/90/654521690.db2.gz UIGNZROEDCJYCY-JTQLQIEISA-N 0 1 383.271 2.262 20 30 GEEDMN C#CCN1CCC(NC(=O)Cc2noc3ccc(Br)cc23)CC1 ZINC000928648845 654654315 /nfs/dbraw/zinc/65/43/15/654654315.db2.gz DZCAXAZVYFHCEB-UHFFFAOYSA-N 0 1 376.254 2.347 20 30 GEEDMN C#CCN1CCC(NC(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)CC1 ZINC000931896651 654761122 /nfs/dbraw/zinc/76/11/22/654761122.db2.gz VGXLGGXHEIJMHU-UHFFFAOYSA-N 0 1 378.889 2.416 20 30 GEEDMN FC1(F)[C@@H]2CN(CCN3CCOCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941315 654795006 /nfs/dbraw/zinc/79/50/06/654795006.db2.gz AHFJNDKLDXFPDX-NXEZZACHSA-N 0 1 382.295 2.421 20 30 GEEDMN CC(=[NH+][N-]c1ccc(S(=O)(=O)NC2CCCC2)cn1)c1csc(N)n1 ZINC000914698470 654856535 /nfs/dbraw/zinc/85/65/35/654856535.db2.gz QNGGKZAGTMUNJY-UHFFFAOYSA-N 0 1 380.499 2.177 20 30 GEEDMN N#Cc1cc(Cl)c(Cl)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739724 720697184 /nfs/dbraw/zinc/69/71/84/720697184.db2.gz PAVBJKNFDVECMT-OLZOCXBDSA-N 0 1 391.262 2.392 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(C#N)cc4Cl)C3)O2)CC1 ZINC001164890987 721385751 /nfs/dbraw/zinc/38/57/51/721385751.db2.gz PZBBVCAYJXEVHN-PXNSSMCTSA-N 0 1 389.931 2.372 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(C#N)c[nH]c5n4)C3)O2)CC1 ZINC001164889844 721418071 /nfs/dbraw/zinc/41/80/71/721418071.db2.gz RQEVOBHHEUFGNS-PGRDOPGGSA-N 0 1 394.523 2.200 20 30 GEEDMN Cc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(C=NO)c1 ZINC001164809834 721570720 /nfs/dbraw/zinc/57/07/20/721570720.db2.gz XKNUMNUERABPRZ-HSALFYBXSA-N 0 1 381.480 2.461 20 30 GEEDMN COc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164977393 722110806 /nfs/dbraw/zinc/11/08/06/722110806.db2.gz MVCRJAKCBCCVLP-XLIONFOSSA-N 0 1 379.464 2.084 20 30 GEEDMN C=CCOc1cc(C)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979063 722119879 /nfs/dbraw/zinc/11/98/79/722119879.db2.gz OUSUYZROBLHGPB-WOJBJXKFSA-N 0 1 395.507 2.472 20 30 GEEDMN COc1ccc(Br)cc1CNCCNC(=O)C1N=CC=CC1=O ZINC000172124665 531934200 /nfs/dbraw/zinc/93/42/00/531934200.db2.gz XRROKZBMNYLTIX-NXVVXOECSA-N 0 1 380.242 2.074 20 30 GEEDMN CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cccc(Cl)c1 ZINC000278494498 532382628 /nfs/dbraw/zinc/38/26/28/532382628.db2.gz BTVVLIMEZCRPOX-UHFFFAOYSA-N 0 1 382.829 2.428 20 30 GEEDMN N#Cc1cc(Br)ccc1C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000294776055 532382852 /nfs/dbraw/zinc/38/28/52/532382852.db2.gz AGWRRSWVNZJIPM-CYBMUJFWSA-N 0 1 378.270 2.115 20 30 GEEDMN C=CCn1c(=O)[nH]nc1S(=O)(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000560075091 532412542 /nfs/dbraw/zinc/41/25/42/532412542.db2.gz FKAYANMWZMKEFU-UHFFFAOYSA-N 0 1 380.426 2.406 20 30 GEEDMN Cc1cc(S(C)(=O)=O)cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1C ZINC000427309594 532419832 /nfs/dbraw/zinc/41/98/32/532419832.db2.gz VESJDFLKOIMRBU-UHFFFAOYSA-N 0 1 379.463 2.083 20 30 GEEDMN C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCN(C)[C@H]1c1cccc(Cl)c1 ZINC000374588013 532511559 /nfs/dbraw/zinc/51/15/59/532511559.db2.gz UXKNSFYWZORINZ-KMFMINBZSA-N 0 1 384.933 2.401 20 30 GEEDMN N#Cc1c(Br)cccc1S(=O)(=O)NC1CCN(C2CC2)CC1 ZINC000283439906 532540447 /nfs/dbraw/zinc/54/04/47/532540447.db2.gz DCKTYYDLONUNRA-UHFFFAOYSA-N 0 1 384.299 2.226 20 30 GEEDMN C[C@H]1CCCCN1CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432872080 532546388 /nfs/dbraw/zinc/54/63/88/532546388.db2.gz KQDUFNRHYJQHAZ-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)Cc1cnc[nH]1 ZINC000597866579 532628729 /nfs/dbraw/zinc/62/87/29/532628729.db2.gz ZBNDHDKJABCXHS-UHFFFAOYSA-N 0 1 393.241 2.480 20 30 GEEDMN COCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000576116367 532723661 /nfs/dbraw/zinc/72/36/61/532723661.db2.gz BWFHMVSWVHPWCV-UHFFFAOYSA-N 0 1 385.917 2.333 20 30 GEEDMN C=C(C)CN(CC)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000270538285 532799629 /nfs/dbraw/zinc/79/96/29/532799629.db2.gz XBBFOSWDNXRGGQ-UHFFFAOYSA-N 0 1 376.500 2.044 20 30 GEEDMN CC(C)N1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000330682916 532825805 /nfs/dbraw/zinc/82/58/05/532825805.db2.gz OKKLCOUDZFMJFS-LBPRGKRZSA-N 0 1 386.315 2.472 20 30 GEEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000053526733 212131329 /nfs/dbraw/zinc/13/13/29/212131329.db2.gz XJCSNIUIZWWPHF-LLVKDONJSA-N 0 1 392.375 2.237 20 30 GEEDMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000331467917 532840416 /nfs/dbraw/zinc/84/04/16/532840416.db2.gz HVFWLHJQKBGKBU-PWSUYJOCSA-N 0 1 384.299 2.224 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H]1N1CCCC1 ZINC000332085159 532848466 /nfs/dbraw/zinc/84/84/66/532848466.db2.gz QFUMHZREYMZSLR-CABCVRRESA-N 0 1 385.942 2.412 20 30 GEEDMN CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCc2c1cccc2C#N ZINC000420732883 532886134 /nfs/dbraw/zinc/88/61/34/532886134.db2.gz UDZQOJMUSUBSAF-CYBMUJFWSA-N 0 1 376.356 2.135 20 30 GEEDMN C[C@H](CC#N)OC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735964398 598857974 /nfs/dbraw/zinc/85/79/74/598857974.db2.gz ZLVGEBNFFUUYOG-LLVKDONJSA-N 0 1 397.395 2.176 20 30 GEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=NNCc1ccc(-c2nn[nH]n2)cc1 ZINC000820759965 607253434 /nfs/dbraw/zinc/25/34/34/607253434.db2.gz OQXHXZSZZKGPTG-OAHLLOKOSA-N 0 1 376.468 2.249 20 30 GEEDMN C=CC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)c1ccncc1 ZINC000735409666 599108166 /nfs/dbraw/zinc/10/81/66/599108166.db2.gz IAOUVMOKUUPYKM-CYBMUJFWSA-N 0 1 383.437 2.131 20 30 GEEDMN N#Cc1ccccc1N1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000737727419 598253982 /nfs/dbraw/zinc/25/39/82/598253982.db2.gz LOCNXQCRXULHJG-UHFFFAOYSA-N 0 1 384.447 2.313 20 30 GEEDMN C#Cc1cccc(NC(=S)NNc2oc(CC(C)C)nc2-c2nn[nH]n2)c1 ZINC000735391371 598323497 /nfs/dbraw/zinc/32/34/97/598323497.db2.gz RDOJZTSFGBSCSQ-UHFFFAOYSA-N 0 1 382.453 2.348 20 30 GEEDMN N#Cc1ccc(NC(=O)CC[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1Cl ZINC000739123053 600513130 /nfs/dbraw/zinc/51/31/30/600513130.db2.gz MEFRSGJEKAJDJX-OAHLLOKOSA-N 0 1 379.844 2.496 20 30 GEEDMN N#Cc1ccc([C@@H](C(=O)[O-])[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000739107167 600564077 /nfs/dbraw/zinc/56/40/77/600564077.db2.gz VKIZTYDXRAXHPB-SFHVURJKSA-N 0 1 385.370 2.420 20 30 GEEDMN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000739107638 600567451 /nfs/dbraw/zinc/56/74/51/600567451.db2.gz YKTYWODKLHULJH-MRXNPFEDSA-N 0 1 385.386 2.271 20 30 GEEDMN N#CCCN(C(=O)C[N@@H+](CC(=O)[O-])C1CCOCC1)c1cccc(Cl)c1 ZINC000833065409 600853130 /nfs/dbraw/zinc/85/31/30/600853130.db2.gz AZJXRAZNEPIOEG-UHFFFAOYSA-N 0 1 379.844 2.152 20 30 GEEDMN N#CCCN(C(=O)C[N@H+](CC(=O)[O-])C1CCOCC1)c1cccc(Cl)c1 ZINC000833065409 600853131 /nfs/dbraw/zinc/85/31/31/600853131.db2.gz AZJXRAZNEPIOEG-UHFFFAOYSA-N 0 1 379.844 2.152 20 30 GEEDMN C[NH+]1CCN(C(=O)Cc2ccc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)CC1 ZINC000830946487 601302222 /nfs/dbraw/zinc/30/22/22/601302222.db2.gz OTIMKJWNHOAHIP-NRFANRHFSA-N 0 1 392.459 2.113 20 30 GEEDMN C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000738598337 602479913 /nfs/dbraw/zinc/47/99/13/602479913.db2.gz YCUSZEYVVVJPDJ-RXVVDRJESA-N 0 1 384.480 2.439 20 30 GEEDMN C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1)C1CC1 ZINC000738598337 602479915 /nfs/dbraw/zinc/47/99/15/602479915.db2.gz YCUSZEYVVVJPDJ-RXVVDRJESA-N 0 1 384.480 2.439 20 30 GEEDMN N#Cc1cnc2c(F)cc(F)cc2c1NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000740321684 602718154 /nfs/dbraw/zinc/71/81/54/602718154.db2.gz GPKORSOUERBVRY-UHFFFAOYSA-N 0 1 375.379 2.482 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739975680 602793386 /nfs/dbraw/zinc/79/33/86/602793386.db2.gz IWDYBQQHIKRJCP-JYJNAYRXSA-N 0 1 388.468 2.308 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739975680 602793389 /nfs/dbraw/zinc/79/33/89/602793389.db2.gz IWDYBQQHIKRJCP-JYJNAYRXSA-N 0 1 388.468 2.308 20 30 GEEDMN C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)CC(C)(C)CNC(=O)[O-] ZINC000828170103 603631178 /nfs/dbraw/zinc/63/11/78/603631178.db2.gz RXLBKVLIURXXNV-CQSZACIVSA-N 0 1 381.436 2.449 20 30 GEEDMN Fc1ccc(C#CCN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cc1 ZINC000826373217 607643673 /nfs/dbraw/zinc/64/36/73/607643673.db2.gz DPXYPJIBKSHKNY-UHFFFAOYSA-N 0 1 393.426 2.045 20 30 GEEDMN N#C[C@@H]1CSCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444357868 649947597 /nfs/dbraw/zinc/94/75/97/649947597.db2.gz QKZSOBLCAGXWNA-SNVBAGLBSA-N 0 1 378.251 2.372 20 30 GEEDMN CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)c1 ZINC000833635862 605052231 /nfs/dbraw/zinc/05/22/31/605052231.db2.gz BGZBBYMTXOFRSJ-WBVHZDCISA-N 0 1 388.468 2.058 20 30 GEEDMN C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)cc1OC ZINC000833378205 605275557 /nfs/dbraw/zinc/27/55/57/605275557.db2.gz ZINKQCQJGWYAOH-IQIBNGDESA-N 0 1 388.464 2.281 20 30 GEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000833835416 605893797 /nfs/dbraw/zinc/89/37/97/605893797.db2.gz YZWMGNLNKJTWHW-VXGBXAGGSA-N 0 1 376.482 2.415 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833977462 606007420 /nfs/dbraw/zinc/00/74/20/606007420.db2.gz ZPCGDYZWPXNKRL-FUHWJXTLSA-N 0 1 391.493 2.186 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000833977462 606007423 /nfs/dbraw/zinc/00/74/23/606007423.db2.gz ZPCGDYZWPXNKRL-FUHWJXTLSA-N 0 1 391.493 2.186 20 30 GEEDMN Cn1cc(-c2nn[nH]n2)cc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 ZINC000822622974 606407262 /nfs/dbraw/zinc/40/72/62/606407262.db2.gz MWJHLDIBCGDKRT-LBPRGKRZSA-N 0 1 376.405 2.214 20 30 GEEDMN Cn1cc(-c2nn[nH]n2)cc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000822622974 606407263 /nfs/dbraw/zinc/40/72/63/606407263.db2.gz MWJHLDIBCGDKRT-LBPRGKRZSA-N 0 1 376.405 2.214 20 30 GEEDMN CSc1[nH]c(=O)c(C(=O)N(CCC#N)CCC(C)C)cc1-c1nn[nH]n1 ZINC000821970992 606585314 /nfs/dbraw/zinc/58/53/14/606585314.db2.gz VEYMYIQUBPJOCJ-UHFFFAOYSA-N 0 1 375.458 2.091 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000823849892 607922980 /nfs/dbraw/zinc/92/29/80/607922980.db2.gz BMXZLRSUPPNBCA-QGZVFWFLSA-N 0 1 383.452 2.057 20 30 GEEDMN C[C@@H](C#N)Oc1ccc(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000824034402 608514691 /nfs/dbraw/zinc/51/46/91/608514691.db2.gz JGALFNRODQPPMS-INIZCTEOSA-N 0 1 389.463 2.480 20 30 GEEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260319 609162035 /nfs/dbraw/zinc/16/20/35/609162035.db2.gz IHJRWWNPNMGVRQ-UHFFFAOYSA-N 0 1 386.375 2.190 20 30 GEEDMN N#Cc1ccc(CN[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)s1 ZINC000826384733 609600336 /nfs/dbraw/zinc/60/03/36/609600336.db2.gz HNSWWQRVXFZEOF-INIZCTEOSA-N 0 1 379.449 2.085 20 30 GEEDMN Cc1[nH]ncc1CCCNC(=O)COc1cccc(Br)c1C#N ZINC000449836720 650052781 /nfs/dbraw/zinc/05/27/81/650052781.db2.gz UTOKITNFFQOYIC-UHFFFAOYSA-N 0 1 377.242 2.480 20 30 GEEDMN C[NH+](C)CC1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC000451495795 650120649 /nfs/dbraw/zinc/12/06/49/650120649.db2.gz SRAPOUHAPKEAIV-UHFFFAOYSA-N 0 1 390.278 2.222 20 30 GEEDMN C=CCNC(=O)NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000028868721 642454050 /nfs/dbraw/zinc/45/40/50/642454050.db2.gz NXUGKYGEESUOIS-UHFFFAOYSA-N 0 1 396.270 2.338 20 30 GEEDMN CN1CCC(C#N)(NC(=O)c2cccc(F)c2I)CC1 ZINC000533543972 650761826 /nfs/dbraw/zinc/76/18/26/650761826.db2.gz GFBYLTWEDNXIER-UHFFFAOYSA-N 0 1 387.196 2.148 20 30 GEEDMN Cc1c(Br)cc(C(=O)NC2(C#N)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000533575451 650762886 /nfs/dbraw/zinc/76/28/86/650762886.db2.gz HVKVBDKLROWSMV-UHFFFAOYSA-N 0 1 381.230 2.384 20 30 GEEDMN C=CCCC[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC ZINC000537181670 650810754 /nfs/dbraw/zinc/81/07/54/650810754.db2.gz IWONVNLKYOSCKD-CYBMUJFWSA-N 0 1 390.527 2.480 20 30 GEEDMN N#CC(C(=O)CSc1nncn1-c1cccc(Cl)c1)C(=O)NC1CC1 ZINC000129315391 643820123 /nfs/dbraw/zinc/82/01/23/643820123.db2.gz NHUPLPVCMZMDPL-ZDUSSCGKSA-N 0 1 375.841 2.000 20 30 GEEDMN C=C(Br)CNC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000187420852 645090418 /nfs/dbraw/zinc/09/04/18/645090418.db2.gz XKOBVMOEMBBAOI-UHFFFAOYSA-N 0 1 385.262 2.341 20 30 GEEDMN CN1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1cccs1 ZINC000246133113 645477401 /nfs/dbraw/zinc/47/74/01/645477401.db2.gz JUNKLCJIFFKIQE-DYVFJYSZSA-N 0 1 376.507 2.376 20 30 GEEDMN CS[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1N1CCCC1 ZINC000275472342 646354942 /nfs/dbraw/zinc/35/49/42/646354942.db2.gz MBBBCCNXEOTGRK-HUUCEWRRSA-N 0 1 387.477 2.037 20 30 GEEDMN Cc1nc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(Br)cn3)CCO2)n[nH]1 ZINC000329982297 647327539 /nfs/dbraw/zinc/32/75/39/647327539.db2.gz ACZLISLETIUJOE-RNCFNFMXSA-N 0 1 395.261 2.319 20 30 GEEDMN C[C@@H]1CCc2c(sc(NC(=O)CCN3CCSC[C@@H]3CO)c2C#N)C1 ZINC000334028333 647488226 /nfs/dbraw/zinc/48/82/26/647488226.db2.gz JEHMXIXJKWAMRA-OLZOCXBDSA-N 0 1 379.551 2.483 20 30 GEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@H]21 ZINC000367769925 647744702 /nfs/dbraw/zinc/74/47/02/647744702.db2.gz COMSPQLCGSJTQQ-SMDDNHRTSA-N 0 1 384.299 2.035 20 30 GEEDMN C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Br)c2C#N)CCN1C ZINC000408112807 647927347 /nfs/dbraw/zinc/92/73/47/647927347.db2.gz OBCMIBKPYCRRLB-NWDGAFQWSA-N 0 1 386.315 2.424 20 30 GEEDMN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)CCN1C ZINC000416410903 648116383 /nfs/dbraw/zinc/11/63/83/648116383.db2.gz YHKYRANFSVVAOZ-BXUZGUMPSA-N 0 1 386.315 2.424 20 30 GEEDMN Cc1cc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)nn1CCC#N ZINC000504131010 648204749 /nfs/dbraw/zinc/20/47/49/648204749.db2.gz OHZFLLZUESQFKC-UHFFFAOYSA-N 0 1 381.845 2.382 20 30 GEEDMN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000603978480 651506153 /nfs/dbraw/zinc/50/61/53/651506153.db2.gz LZKDWFNAQZWTNL-UHFFFAOYSA-N 0 1 379.825 2.381 20 30 GEEDMN CS(=O)(=O)N1CCCC[C@H]1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730420138 651600867 /nfs/dbraw/zinc/60/08/67/651600867.db2.gz ABIIWBWERKLGLG-AAEUAGOBSA-N 0 1 381.454 2.426 20 30 GEEDMN N#Cc1c(Br)cccc1OCC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000567687247 651635145 /nfs/dbraw/zinc/63/51/45/651635145.db2.gz IXUVEHALRNMHOL-UHFFFAOYSA-N 0 1 376.214 2.011 20 30 GEEDMN Cc1nc2ccc(Br)cn2c1C(=O)NC1(C#N)CCN(C)CC1 ZINC000567812500 651635823 /nfs/dbraw/zinc/63/58/23/651635823.db2.gz IJKBIUORRLSOTP-UHFFFAOYSA-N 0 1 376.258 2.123 20 30 GEEDMN C#CCN(CCC(=O)NC(=O)NC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195045 651693075 /nfs/dbraw/zinc/69/30/75/651693075.db2.gz BQPAESNVZPNMJZ-CQSZACIVSA-N 0 1 394.269 2.054 20 30 GEEDMN CN(C)S(=O)(=O)c1cc(C(=O)C(C#N)c2nc(C3CC3)cs2)n(C)c1 ZINC000647378832 651745038 /nfs/dbraw/zinc/74/50/38/651745038.db2.gz CVJXDBPBIVQTFC-GFCCVEGCSA-N 0 1 378.479 2.099 20 30 GEEDMN N#C[C@]1(F)CCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000615591932 651868680 /nfs/dbraw/zinc/86/86/80/651868680.db2.gz KUKIDPIDTXKRLY-OAHLLOKOSA-N 0 1 393.220 2.381 20 30 GEEDMN N#C[C@]1(F)CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000615591932 651868681 /nfs/dbraw/zinc/86/86/81/651868681.db2.gz KUKIDPIDTXKRLY-OAHLLOKOSA-N 0 1 393.220 2.381 20 30 GEEDMN N#C[C@@]1(F)CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000615597519 651869041 /nfs/dbraw/zinc/86/90/41/651869041.db2.gz ZXSXAZWBZOCQMJ-ZDUSSCGKSA-N 0 1 384.152 2.245 20 30 GEEDMN CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccnc1Cl ZINC000738355097 651892164 /nfs/dbraw/zinc/89/21/64/651892164.db2.gz YTMPWFCGOGPLNX-UHFFFAOYSA-N 0 1 378.885 2.359 20 30 GEEDMN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)Oc1ccccc1Cl ZINC000573317530 651946631 /nfs/dbraw/zinc/94/66/31/651946631.db2.gz MAIOZCYSTDJLNU-CYBMUJFWSA-N 0 1 379.869 2.437 20 30 GEEDMN CN(CCO)c1ccc(C=[NH+][N-]c2nc(Br)cn3ccnc23)cc1 ZINC000749863553 652271056 /nfs/dbraw/zinc/27/10/56/652271056.db2.gz WEUHOVMGTHNXIA-UHFFFAOYSA-N 0 1 389.257 2.366 20 30 GEEDMN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)Oc1cccc(Cl)c1 ZINC000580553994 652383150 /nfs/dbraw/zinc/38/31/50/652383150.db2.gz KSIUNKFLMIZNCC-ZDUSSCGKSA-N 0 1 379.869 2.437 20 30 GEEDMN O=C([O-])COc1ccc(Br)cc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753933805 652420881 /nfs/dbraw/zinc/42/08/81/652420881.db2.gz FLUKUKVGHCCUKK-CHWSQXEVSA-N 0 1 395.257 2.106 20 30 GEEDMN C=CCN1C(=O)N=NC1S[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000629161509 652480096 /nfs/dbraw/zinc/48/00/96/652480096.db2.gz JNDBQELRLVYWDU-ZDUSSCGKSA-N 0 1 380.495 2.033 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000756548971 652500748 /nfs/dbraw/zinc/50/07/48/652500748.db2.gz CULAYANWQNUFNJ-MRXNPFEDSA-N 0 1 393.281 2.210 20 30 GEEDMN Cc1nn(C)c(OCC(F)(F)F)c1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000756824846 652506871 /nfs/dbraw/zinc/50/68/71/652506871.db2.gz ZWLNULMFXUHREO-UHFFFAOYSA-N 0 1 388.297 2.451 20 30 GEEDMN N#Cc1cccc(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)n1 ZINC000589375786 652566029 /nfs/dbraw/zinc/56/60/29/652566029.db2.gz OVOFOMGVCOHPBM-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN N#Cc1cccc(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000589375786 652566030 /nfs/dbraw/zinc/56/60/30/652566030.db2.gz OVOFOMGVCOHPBM-UHFFFAOYSA-N 0 1 383.209 2.431 20 30 GEEDMN N#Cc1ccc(O)c(NC(=O)CS(=O)(=O)c2cccc(Br)c2)c1 ZINC000759713088 652584618 /nfs/dbraw/zinc/58/46/18/652584618.db2.gz HDVKEONXCPKRTL-UHFFFAOYSA-N 0 1 395.234 2.439 20 30 GEEDMN Cc1ncc(C(C)N=Nc2ccccc2S(=O)(=O)N2CCOCC2)s1 ZINC000761266050 652640089 /nfs/dbraw/zinc/64/00/89/652640089.db2.gz CTZJEDZDMBSIGE-UHFFFAOYSA-N 0 1 380.495 2.309 20 30 GEEDMN COc1cccc(NC(=O)C(C#N)C(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000767433565 652924995 /nfs/dbraw/zinc/92/49/95/652924995.db2.gz TZXLYJCKMNBSMF-ZDUSSCGKSA-N 0 1 378.431 2.121 20 30 GEEDMN C=CCC[C@H](NS(=O)(=O)Cc1ncsc1Br)C(=O)OCC ZINC000601432041 653094618 /nfs/dbraw/zinc/09/46/18/653094618.db2.gz JGKSMCDALPANHI-VIFPVBQESA-N 0 1 397.316 2.223 20 30 GEEDMN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000771504343 653113715 /nfs/dbraw/zinc/11/37/15/653113715.db2.gz KVVHBGAFGXPOAX-UHFFFAOYSA-N 0 1 382.800 2.349 20 30 GEEDMN C#CCN1CCC(C(=O)O[C@H](C(N)=O)c2ccc(Br)cc2F)CC1 ZINC000772110204 653139461 /nfs/dbraw/zinc/13/94/61/653139461.db2.gz OPBMPYIGIJZEMB-HNNXBMFYSA-N 0 1 397.244 2.003 20 30 GEEDMN C=C(Br)CNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000769077885 653142415 /nfs/dbraw/zinc/14/24/15/653142415.db2.gz SVZOCBOFLUHFSM-HZPDHXFCSA-N 0 1 382.302 2.077 20 30 GEEDMN CSCCNC(=S)NN=Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000769598880 653165501 /nfs/dbraw/zinc/16/55/01/653165501.db2.gz LCVILXCXNLIBPY-UHFFFAOYSA-N 0 1 385.990 2.253 20 30 GEEDMN NS(=O)(=O)c1ccc(C=NNc2ccccc2[N+](=O)[O-])cc1Br ZINC000807943113 653212359 /nfs/dbraw/zinc/21/23/59/653212359.db2.gz ICKQAEDZJBPXJA-UHFFFAOYSA-N 0 1 399.226 2.451 20 30 GEEDMN C#C[C@H](NC(=O)N[C@@H](C)CN1CCN(C)CC1)c1ccc(Br)cc1 ZINC000836349315 653346246 /nfs/dbraw/zinc/34/62/46/653346246.db2.gz LDOYJHCXUPCGFE-YOEHRIQHSA-N 0 1 393.329 2.059 20 30 GEEDMN Brc1ccccc1-n1cc(C=NNc2ncnc3nc[nH]c32)nn1 ZINC000811639417 653399817 /nfs/dbraw/zinc/39/98/17/653399817.db2.gz ZRCXPHUZEGLJBN-UHFFFAOYSA-N 0 1 384.201 2.142 20 30 GEEDMN C=CCCCS(=O)(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccc(Cl)cc1 ZINC000859244995 653428155 /nfs/dbraw/zinc/42/81/55/653428155.db2.gz QVYPEKKRSZLDKF-CABCVRRESA-N 0 1 375.874 2.191 20 30 GEEDMN Cc1cc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c(I)cc1Cl ZINC000876801378 653448627 /nfs/dbraw/zinc/44/86/27/653448627.db2.gz BSBUPMRQELXQPZ-QPUJVOFHSA-N 0 1 389.624 2.094 20 30 GEEDMN C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)N1CCCCC1 ZINC000780721247 653631550 /nfs/dbraw/zinc/63/15/50/653631550.db2.gz YQGBGNNSYZJZSY-LBPRGKRZSA-N 0 1 386.315 2.473 20 30 GEEDMN Cc1nsc(NC(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1C#N ZINC000839106319 653642547 /nfs/dbraw/zinc/64/25/47/653642547.db2.gz MHZFPYPXGRSKTJ-VIFPVBQESA-N 0 1 375.376 2.246 20 30 GEEDMN C#CCCN1CCC(NS(=O)(=O)c2ccc(Br)c(F)c2)CC1 ZINC000840951874 653703461 /nfs/dbraw/zinc/70/34/61/653703461.db2.gz KUQOBUPUAYPJCZ-UHFFFAOYSA-N 0 1 389.290 2.354 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cc(I)ccc1Cl ZINC000841142522 653707569 /nfs/dbraw/zinc/70/75/69/653707569.db2.gz RHBGYSQZWRYUMH-WRWORJQWSA-N 0 1 390.612 2.178 20 30 GEEDMN CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000841176677 653709215 /nfs/dbraw/zinc/70/92/15/653709215.db2.gz MPUZNQNZVVRDME-SMDDNHRTSA-N 0 1 397.273 2.097 20 30 GEEDMN C=C(Cl)CSc1nc(C)c(CC(=O)NCCN2CC[C@H](O)C2)s1 ZINC000863835097 653721513 /nfs/dbraw/zinc/72/15/13/653721513.db2.gz QWZOWLIAMSSSPW-LBPRGKRZSA-N 0 1 375.947 2.021 20 30 GEEDMN Cc1cc(C(=O)N[C@@H]2CNC[C@H]2C#N)c(C)n1-c1ccc(Br)cn1 ZINC000843460363 653787420 /nfs/dbraw/zinc/78/74/20/653787420.db2.gz OAKLNYWTPMXBFG-IUODEOHRSA-N 0 1 388.269 2.093 20 30 GEEDMN C#CCCN(CC(F)(F)F)C(=O)c1cnc(I)c(O)c1 ZINC000821997687 653814823 /nfs/dbraw/zinc/81/48/23/653814823.db2.gz TWRJNHZMTKXNLC-UHFFFAOYSA-N 0 1 398.122 2.420 20 30 GEEDMN C=CCCSCCNC(=O)c1cnc(I)c(O)c1 ZINC000824424057 653894938 /nfs/dbraw/zinc/89/49/38/653894938.db2.gz WTXHFPOFCWUQRL-UHFFFAOYSA-N 0 1 378.235 2.431 20 30 GEEDMN C#CCN1CCC[C@@H](N[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000886662497 653994297 /nfs/dbraw/zinc/99/42/97/653994297.db2.gz FOAHSCOQMAECNQ-NWDGAFQWSA-N 0 1 390.336 2.389 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc(Br)c(Br)c1 ZINC000868202873 654023281 /nfs/dbraw/zinc/02/32/81/654023281.db2.gz FRGUOGPDKBSZBG-WRWORJQWSA-N 0 1 388.063 2.445 20 30 GEEDMN CC(=NNc1cc(C)nc(C)n1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000797401865 654030257 /nfs/dbraw/zinc/03/02/57/654030257.db2.gz OLXXDHRLYWOJBU-UHFFFAOYSA-N 0 1 398.286 2.339 20 30 GEEDMN C[C@H](C(=O)OCc1nc2ccc(Br)cc2[nH]1)n1cnc(C#N)n1 ZINC000798743918 654075235 /nfs/dbraw/zinc/07/52/35/654075235.db2.gz FUPXCZFMOOTPOT-MRVPVSSYSA-N 0 1 375.186 2.093 20 30 GEEDMN N#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000799123968 654085127 /nfs/dbraw/zinc/08/51/27/654085127.db2.gz DPDBAXDZDPUCNZ-UHFFFAOYSA-N 0 1 383.788 2.281 20 30 GEEDMN CCOc1c(Br)cc(C=Nn2c(=O)c(C)n[nH]c2=S)cc1OC ZINC000916303449 654090865 /nfs/dbraw/zinc/09/08/65/654090865.db2.gz HUDMBBBXCWMABB-UHFFFAOYSA-N 0 1 399.270 2.287 20 30 GEEDMN COCCCNC(=O)[C@H](C#N)C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000916871746 654110500 /nfs/dbraw/zinc/11/05/00/654110500.db2.gz XFAHRHQRCOAFIP-CQSZACIVSA-N 0 1 393.237 2.086 20 30 GEEDMN N#CC(C(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000916928069 654111367 /nfs/dbraw/zinc/11/13/67/654111367.db2.gz GRCIVJRBCYIDQK-ONGXEEELSA-N 0 1 389.260 2.466 20 30 GEEDMN CC#CC(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F ZINC000801155560 654179579 /nfs/dbraw/zinc/17/95/79/654179579.db2.gz XRINJLHDBCJOHM-UHFFFAOYSA-N 0 1 396.304 2.188 20 30 GEEDMN C#C[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1F)C1CCOCC1 ZINC000851827923 654185131 /nfs/dbraw/zinc/18/51/31/654185131.db2.gz SVKKIIZBAZXMMN-CYBMUJFWSA-N 0 1 394.237 2.434 20 30 GEEDMN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NS(=O)(=O)CCCCC#N)C1 ZINC000832251172 654253782 /nfs/dbraw/zinc/25/37/82/654253782.db2.gz QRQDICCFQWSGLI-LBPRGKRZSA-N 0 1 381.445 2.244 20 30 GEEDMN C#CCN1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000921438704 654267689 /nfs/dbraw/zinc/26/76/89/654267689.db2.gz HMOQEURMLKYGFS-UHFFFAOYSA-N 0 1 392.264 2.278 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000834488209 654329455 /nfs/dbraw/zinc/32/94/55/654329455.db2.gz AIVOWNQDIGGSTK-XHDPSFHLSA-N 0 1 390.237 2.462 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000834489170 654329924 /nfs/dbraw/zinc/32/99/24/654329924.db2.gz KEIQRVRJYSOLLK-XHDPSFHLSA-N 0 1 390.237 2.462 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)Cc1ccc(Br)cc1 ZINC000922024299 654356387 /nfs/dbraw/zinc/35/63/87/654356387.db2.gz OQJDDHDNRAAJGY-UHFFFAOYSA-N 0 1 385.327 2.308 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000922023928 654356413 /nfs/dbraw/zinc/35/64/13/654356413.db2.gz XORKEKLRLXHOCK-UHFFFAOYSA-N 0 1 396.310 2.039 20 30 GEEDMN N#CC(C(=O)CS(=O)(=O)C1CC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000835060972 654360095 /nfs/dbraw/zinc/36/00/95/654360095.db2.gz HNTOZYPJCZOBBQ-LBPRGKRZSA-N 0 1 388.417 2.226 20 30 GEEDMN C#CCN1CCC[C@H]1COC(=O)COc1ccc(C#N)c(Br)c1 ZINC000835139893 654364224 /nfs/dbraw/zinc/36/42/24/654364224.db2.gz MOTJCNJFRKZMEI-AWEZNQCLSA-N 0 1 377.238 2.340 20 30 GEEDMN C#CCn1ccc(CN(CCOC)Cc2ncc(Br)cc2O)n1 ZINC000894109739 654447653 /nfs/dbraw/zinc/44/76/53/654447653.db2.gz UMBLYWIWABKCCN-UHFFFAOYSA-N 0 1 379.258 2.028 20 30 GEEDMN COC(=O)[C@](C)(O)CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942406 654795067 /nfs/dbraw/zinc/79/50/67/654795067.db2.gz HDMNSXLZDHIBHD-BKPPORCPSA-N 0 1 385.251 2.013 20 30 GEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000913516866 654796686 /nfs/dbraw/zinc/79/66/86/654796686.db2.gz JVXHNRXCVXKIMT-INIZCTEOSA-N 0 1 382.291 2.279 20 30 GEEDMN CN(C)CC#CCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000913518090 654797100 /nfs/dbraw/zinc/79/71/00/654797100.db2.gz DDULWZGRYDGCFU-UHFFFAOYSA-N 0 1 379.298 2.179 20 30 GEEDMN Cc1nn(C)c(Cl)c1C=NNc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000914698653 654856422 /nfs/dbraw/zinc/85/64/22/654856422.db2.gz VPEXICQKDRKMJJ-UHFFFAOYSA-N 0 1 384.893 2.300 20 30 GEEDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164683474 719719094 /nfs/dbraw/zinc/71/90/94/719719094.db2.gz ACFWRQFUEATPOA-UHFFFAOYSA-N 0 1 397.857 2.332 20 30 GEEDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164685429 719722584 /nfs/dbraw/zinc/72/25/84/719722584.db2.gz KQZSMMSMVZXKNI-UHFFFAOYSA-N 0 1 397.857 2.332 20 30 GEEDMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164685702 719723297 /nfs/dbraw/zinc/72/32/97/719723297.db2.gz NFJCTNXIVRDYSA-UHFFFAOYSA-N 0 1 397.857 2.332 20 30 GEEDMN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)c(C#N)cc4C#N)C[C@H]3C2)cn1 ZINC001164769882 721127163 /nfs/dbraw/zinc/12/71/63/721127163.db2.gz PXTGGJFGQONMHB-WMLDXEAASA-N 0 1 381.871 2.170 20 30 GEEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(Cl)cc4C#N)C3)O2)CC1 ZINC001164890792 721427180 /nfs/dbraw/zinc/42/71/80/721427180.db2.gz FUQXMSUXEQEFEB-AZUAARDMSA-N 0 1 389.931 2.372 20 30 GEEDMN N#Cc1nc(Cl)cnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974541 722105773 /nfs/dbraw/zinc/10/57/73/722105773.db2.gz AFWFNLOTBWXHQD-WBVHZDCISA-N 0 1 384.871 2.124 20 30 GEEDMN C=CCOC[C@@H]1CCC[C@]12CN(c1cccc(N3CCN(C)CC3)n1)CCO2 ZINC001164974623 722168595 /nfs/dbraw/zinc/16/85/95/722168595.db2.gz GKYKACFOLHHINW-UGKGYDQZSA-N 0 1 386.540 2.412 20 30 GEEDMN CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155268167 531671001 /nfs/dbraw/zinc/67/10/01/531671001.db2.gz CVANRGSWDMDVNP-CQSZACIVSA-N 0 1 386.315 2.426 20 30 GEEDMN C#CCNC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000155161637 531661342 /nfs/dbraw/zinc/66/13/42/531661342.db2.gz XJKVQDVDHHVLLL-CYBMUJFWSA-N 0 1 392.297 2.238 20 30 GEEDMN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(c3nc[nH]n3)CC2)c1 ZINC000155314574 531675087 /nfs/dbraw/zinc/67/50/87/531675087.db2.gz FQMJFCBVEIWPIV-UHFFFAOYSA-N 0 1 396.270 2.007 20 30 GEEDMN N#CC1(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)CCOCC1 ZINC000109143192 531942676 /nfs/dbraw/zinc/94/26/76/531942676.db2.gz NKAYRONUZSQFIW-UHFFFAOYSA-N 0 1 390.241 2.171 20 30 GEEDMN N#CC1(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)CCOCC1 ZINC000109143192 531942684 /nfs/dbraw/zinc/94/26/84/531942684.db2.gz NKAYRONUZSQFIW-UHFFFAOYSA-N 0 1 390.241 2.171 20 30 GEEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000172591496 531959881 /nfs/dbraw/zinc/95/98/81/531959881.db2.gz BFNFFAXKKFBHRA-UHFFFAOYSA-N 0 1 386.401 2.349 20 30 GEEDMN CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000175451344 532103598 /nfs/dbraw/zinc/10/35/98/532103598.db2.gz LBXSLHZLHJDPME-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN C[C@H](CN1CCCCC1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000188214217 532347384 /nfs/dbraw/zinc/34/73/84/532347384.db2.gz NQDKQMIDJRDQOW-GFCCVEGCSA-N 0 1 386.315 2.473 20 30 GEEDMN CN1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000425218049 532374402 /nfs/dbraw/zinc/37/44/02/532374402.db2.gz WVBBEKONKSKCOE-SWLSCSKDSA-N 0 1 384.299 2.035 20 30 GEEDMN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000282337914 532458093 /nfs/dbraw/zinc/45/80/93/532458093.db2.gz QUTJHHNZMZTJTG-MNOVXSKESA-N 0 1 379.408 2.087 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1Br ZINC000296362314 532516080 /nfs/dbraw/zinc/51/60/80/532516080.db2.gz WTMUFRQEFXECJA-CYBMUJFWSA-N 0 1 396.270 2.355 20 30 GEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000526055906 532537642 /nfs/dbraw/zinc/53/76/42/532537642.db2.gz GPMXSMINBDWYLC-LBPRGKRZSA-N 0 1 380.290 2.233 20 30 GEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(n2cc(Br)cn2)CC1 ZINC000526055905 532537814 /nfs/dbraw/zinc/53/78/14/532537814.db2.gz GPMXSMINBDWYLC-GFCCVEGCSA-N 0 1 380.290 2.233 20 30 GEEDMN CN(C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000595345444 532557695 /nfs/dbraw/zinc/55/76/95/532557695.db2.gz PEDPODOLBSSVQT-ZDUSSCGKSA-N 0 1 386.315 2.426 20 30 GEEDMN CN(CCC#N)C[C@H](O)CNCc1cc(Br)ccc1OC(F)F ZINC000566109767 532592913 /nfs/dbraw/zinc/59/29/13/532592913.db2.gz UAIXEZGEYQRXAH-CYBMUJFWSA-N 0 1 392.244 2.346 20 30 GEEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000297917361 532612523 /nfs/dbraw/zinc/61/25/23/532612523.db2.gz SZMIWDHCDOGRAC-CQSZACIVSA-N 0 1 379.913 2.389 20 30 GEEDMN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)NC(=O)C(C)C#N ZINC000534758607 532672011 /nfs/dbraw/zinc/67/20/11/532672011.db2.gz OIJDNSZMMZDFJT-ZANVPECISA-N 0 1 378.226 2.290 20 30 GEEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)cc1NS(C)(=O)=O ZINC000536904189 532700054 /nfs/dbraw/zinc/70/00/54/532700054.db2.gz IONHMXXVAZVRNA-UHFFFAOYSA-N 0 1 383.426 2.178 20 30 GEEDMN C[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)CCN1CC(C)(C)O ZINC000451220914 532762352 /nfs/dbraw/zinc/76/23/52/532762352.db2.gz SJMDOZMXPNGRPH-GFCCVEGCSA-N 0 1 380.286 2.238 20 30 GEEDMN O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000329499834 532807752 /nfs/dbraw/zinc/80/77/52/532807752.db2.gz YDBQMULOMAIDEW-CYBMUJFWSA-N 0 1 396.285 2.414 20 30 GEEDMN CN1CC[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@@H]2C1 ZINC000272475199 532816082 /nfs/dbraw/zinc/81/60/82/532816082.db2.gz UHTVJWPWANXGSI-IUODEOHRSA-N 0 1 384.299 2.035 20 30 GEEDMN CN1CCN(C)[C@@H](CNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000330248428 532816159 /nfs/dbraw/zinc/81/61/59/532816159.db2.gz ZIDJLAKUMAMUBH-NSHDSACASA-N 0 1 393.285 2.253 20 30 GEEDMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CN1C1CC1 ZINC000288760907 532837493 /nfs/dbraw/zinc/83/74/93/532837493.db2.gz KXETVQRXWAYFJB-MFKMUULPSA-N 0 1 391.269 2.001 20 30 GEEDMN CCc1nc([C@H]2CN(C(=O)c3cccc(C#N)c3Br)CCO2)n[nH]1 ZINC000332377616 532853742 /nfs/dbraw/zinc/85/37/42/532853742.db2.gz YCXLPXWYPLSKJW-GFCCVEGCSA-N 0 1 390.241 2.215 20 30 GEEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cccc(-c2nn[nH]n2)c1=O ZINC000735977432 598503274 /nfs/dbraw/zinc/50/32/74/598503274.db2.gz VRWPYWYDTGOTQM-LBPRGKRZSA-N 0 1 395.448 2.061 20 30 GEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2csc(-c3ccc4c(c3)OCO4)n2)o1 ZINC000737467722 598641982 /nfs/dbraw/zinc/64/19/82/598641982.db2.gz RJSLJYVNQCMPHP-UHFFFAOYSA-N 0 1 396.392 2.461 20 30 GEEDMN N#C[C@H](C(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1nc2ccccc2c(=O)[nH]1 ZINC000739074782 599712071 /nfs/dbraw/zinc/71/20/71/599712071.db2.gz LRHMQCCYFIYUHB-JFOHDYCDSA-N 0 1 394.431 2.229 20 30 GEEDMN N#Cc1c(NC(=O)CC[N@H+](CC(=O)[O-])C2CCOCC2)sc2c1CCCC2 ZINC000833068279 601047414 /nfs/dbraw/zinc/04/74/14/601047414.db2.gz TVNMCPCKFNQECX-UHFFFAOYSA-N 0 1 391.493 2.393 20 30 GEEDMN C[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830781264 601320380 /nfs/dbraw/zinc/32/03/80/601320380.db2.gz SNSSKBSXWSKCRJ-NRFANRHFSA-N 0 1 378.476 2.438 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000740312210 602170889 /nfs/dbraw/zinc/17/08/89/602170889.db2.gz CYWPNDDYXVZNMO-LJQANCHMSA-N 0 1 399.495 2.166 20 30 GEEDMN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000738130185 602534409 /nfs/dbraw/zinc/53/44/09/602534409.db2.gz OMWDZLPZSBBIGP-HNNXBMFYSA-N 0 1 388.468 2.405 20 30 GEEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738605765 602647685 /nfs/dbraw/zinc/64/76/85/602647685.db2.gz XRHUFKRWVIBOOI-KBPBESRZSA-N 0 1 376.482 2.466 20 30 GEEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738605765 602647686 /nfs/dbraw/zinc/64/76/86/602647686.db2.gz XRHUFKRWVIBOOI-KBPBESRZSA-N 0 1 376.482 2.466 20 30 GEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179138 602762081 /nfs/dbraw/zinc/76/20/81/602762081.db2.gz VGVBOKSMXVSKHK-KEYYUXOJSA-N 0 1 376.432 2.439 20 30 GEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179138 602762085 /nfs/dbraw/zinc/76/20/85/602762085.db2.gz VGVBOKSMXVSKHK-KEYYUXOJSA-N 0 1 376.432 2.439 20 30 GEEDMN C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[C@H]1NC(=O)[O-] ZINC000739178971 602781669 /nfs/dbraw/zinc/78/16/69/602781669.db2.gz AFGKYZWWOAZBGN-BXUZGUMPSA-N 0 1 376.482 2.415 20 30 GEEDMN N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(CNC(=O)[O-])o3)CC2)cc1 ZINC000831126903 603265453 /nfs/dbraw/zinc/26/54/53/603265453.db2.gz WKFGYAKCMUDZLH-UHFFFAOYSA-N 0 1 382.420 2.267 20 30 GEEDMN N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(CNC(=O)[O-])o3)CC2)cc1 ZINC000831126903 603265455 /nfs/dbraw/zinc/26/54/55/603265455.db2.gz WKFGYAKCMUDZLH-UHFFFAOYSA-N 0 1 382.420 2.267 20 30 GEEDMN C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)cc1OC ZINC000833377948 605110240 /nfs/dbraw/zinc/11/02/40/605110240.db2.gz RSQPCQSZTVIKMJ-IQIBNGDESA-N 0 1 388.464 2.281 20 30 GEEDMN C=CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000833378199 605276085 /nfs/dbraw/zinc/27/60/85/605276085.db2.gz ZINKQCQJGWYAOH-BVBGJJFLSA-N 0 1 388.464 2.281 20 30 GEEDMN O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000834025580 605518747 /nfs/dbraw/zinc/51/87/47/605518747.db2.gz FLKICIMSOOBTHW-MJGOQNOKSA-N 0 1 387.455 2.148 20 30 GEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)[O-])C2)c1F ZINC000833978547 605952311 /nfs/dbraw/zinc/95/23/11/605952311.db2.gz ONOABEGKKFQADD-PBHICJAKSA-N 0 1 388.443 2.168 20 30 GEEDMN O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1ccc(O)c(CN2CCOCC2)c1 ZINC000822924204 606304732 /nfs/dbraw/zinc/30/47/32/606304732.db2.gz YTZSXBXYFQQZQC-RQOWECAXSA-N 0 1 397.460 2.362 20 30 GEEDMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000826279738 609531366 /nfs/dbraw/zinc/53/13/66/609531366.db2.gz ABVKFSQSLAFBBY-LBPRGKRZSA-N 0 1 384.421 2.267 20 30 GEEDMN N#Cc1cc(F)c(S(=O)(=O)NCc2ccc(OC(F)F)cn2)c(F)c1 ZINC000447843863 650009518 /nfs/dbraw/zinc/00/95/18/650009518.db2.gz OEDMLEMFPLYSNQ-UHFFFAOYSA-N 0 1 375.303 2.311 20 30 GEEDMN Cc1[nH]ncc1CCCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449836261 650052926 /nfs/dbraw/zinc/05/29/26/650052926.db2.gz SDWFVVHPIWPTJF-UHFFFAOYSA-N 0 1 377.242 2.480 20 30 GEEDMN CC(C)[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCN1C ZINC000451161806 650091694 /nfs/dbraw/zinc/09/16/94/650091694.db2.gz JYAFSKIGHYOTLV-HNNXBMFYSA-N 0 1 380.286 2.498 20 30 GEEDMN N#CCC1(CS(=O)(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 ZINC000452083860 650171789 /nfs/dbraw/zinc/17/17/89/650171789.db2.gz MGEKNKXMPZRZRG-UHFFFAOYSA-N 0 1 383.271 2.439 20 30 GEEDMN C[C@]1(Br)C[C@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000528919603 650699104 /nfs/dbraw/zinc/69/91/04/650699104.db2.gz PVQYRFDLQZWDBJ-MMPTUQATSA-N 0 1 379.210 2.279 20 30 GEEDMN N#C[C@@H](C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)c1ccccn1 ZINC000041493262 642530394 /nfs/dbraw/zinc/53/03/94/642530394.db2.gz IWLSBMKPAMUJIZ-CYBMUJFWSA-N 0 1 384.189 2.317 20 30 GEEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 ZINC000114674024 643423510 /nfs/dbraw/zinc/42/35/10/643423510.db2.gz OTZHIPXVQFEEGL-UHFFFAOYSA-N 0 1 386.401 2.349 20 30 GEEDMN COCC[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000116711575 643468947 /nfs/dbraw/zinc/46/89/47/643468947.db2.gz UYCFRXLTIUGDJM-DEOSSOPVSA-N 0 1 378.475 2.254 20 30 GEEDMN N#Cc1cccc(CS(=O)(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000127403344 643775492 /nfs/dbraw/zinc/77/54/92/643775492.db2.gz RZMXKGXHNUYBPA-UHFFFAOYSA-N 0 1 379.551 2.339 20 30 GEEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000187027297 645079247 /nfs/dbraw/zinc/07/92/47/645079247.db2.gz ZQYCSHUQSKALJT-UHFFFAOYSA-N 0 1 382.850 2.342 20 30 GEEDMN CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000266937205 645865783 /nfs/dbraw/zinc/86/57/83/645865783.db2.gz AHXMQPCVGJMPMD-UHFFFAOYSA-N 0 1 385.917 2.379 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1N1CCCC1 ZINC000275487717 646356737 /nfs/dbraw/zinc/35/67/37/646356737.db2.gz ORIGRSZJIAZQOU-CABCVRRESA-N 0 1 385.942 2.412 20 30 GEEDMN C=CCN1CC[C@H](N(C)CCC(=O)Nc2ccccc2Br)C1=O ZINC000281282900 646758799 /nfs/dbraw/zinc/75/87/99/646758799.db2.gz IWGZPDTUNZWOMM-HNNXBMFYSA-N 0 1 380.286 2.496 20 30 GEEDMN COc1ccc(NC(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(Br)c1 ZINC000330711363 647347763 /nfs/dbraw/zinc/34/77/63/647347763.db2.gz UUMGZSQFDUMMOX-VXGBXAGGSA-N 0 1 386.290 2.390 20 30 GEEDMN N#CC1(NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)CCOCC1 ZINC000332624780 647448625 /nfs/dbraw/zinc/44/86/25/647448625.db2.gz RYGDTOPLVIZRRI-UHFFFAOYSA-N 0 1 376.210 2.093 20 30 GEEDMN C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccnc2C#N)[C@@H]1c1cccs1 ZINC000366786348 647704078 /nfs/dbraw/zinc/70/40/78/647704078.db2.gz FIUFRWZERBXZCR-CXAGYDPISA-N 0 1 376.507 2.376 20 30 GEEDMN CN1CCC[C@H](CNS(=O)(=O)c2cccnc2C#N)[C@@H]1c1cccs1 ZINC000366786348 647704087 /nfs/dbraw/zinc/70/40/87/647704087.db2.gz FIUFRWZERBXZCR-CXAGYDPISA-N 0 1 376.507 2.376 20 30 GEEDMN N#Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000367577615 647739582 /nfs/dbraw/zinc/73/95/82/647739582.db2.gz CZCGACBOWJNVPX-HZPDHXFCSA-N 0 1 393.285 2.384 20 30 GEEDMN C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@@H]21 ZINC000367769923 647744163 /nfs/dbraw/zinc/74/41/63/647744163.db2.gz COMSPQLCGSJTQQ-FZMZJTMJSA-N 0 1 384.299 2.035 20 30 GEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@@H]21 ZINC000367769923 647744164 /nfs/dbraw/zinc/74/41/64/647744164.db2.gz COMSPQLCGSJTQQ-FZMZJTMJSA-N 0 1 384.299 2.035 20 30 GEEDMN CN1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000369629371 647780674 /nfs/dbraw/zinc/78/06/74/647780674.db2.gz MFNOAZKLMMEVIX-ABAIWWIYSA-N 0 1 384.299 2.035 20 30 GEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000369629373 647780684 /nfs/dbraw/zinc/78/06/84/647780684.db2.gz MFNOAZKLMMEVIX-NHYWBVRUSA-N 0 1 384.299 2.035 20 30 GEEDMN CC(C)N1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416495645 648148973 /nfs/dbraw/zinc/14/89/73/648148973.db2.gz MVOKLMOPFDMHTM-CQSZACIVSA-N 0 1 386.315 2.424 20 30 GEEDMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416656339 648203876 /nfs/dbraw/zinc/20/38/76/648203876.db2.gz BZGUCZKLBVXACG-CYBMUJFWSA-N 0 1 377.447 2.157 20 30 GEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C ZINC000416937212 648218070 /nfs/dbraw/zinc/21/80/70/648218070.db2.gz CRFVQPPRMWUDKU-AWEZNQCLSA-N 0 1 387.527 2.378 20 30 GEEDMN CN(Cc1ccc(Br)cc1C#N)C1CCN(S(C)(=O)=O)CC1 ZINC000554241606 651200366 /nfs/dbraw/zinc/20/03/66/651200366.db2.gz NTDRIFQNDWBHEE-UHFFFAOYSA-N 0 1 386.315 2.177 20 30 GEEDMN COc1cc(Cl)c(C)cc1NC(=O)C(C#N)C(=O)CCCS(C)(=O)=O ZINC000731288422 651624214 /nfs/dbraw/zinc/62/42/14/651624214.db2.gz UYXAVUGKSFSGCF-LLVKDONJSA-N 0 1 386.857 2.129 20 30 GEEDMN N#C[C@@]1(NC(=O)c2n[nH]c3ccc(I)cc32)CCSC1 ZINC000610291543 651654873 /nfs/dbraw/zinc/65/48/73/651654873.db2.gz VCMDBXXGJDWMLQ-ZDUSSCGKSA-N 0 1 398.229 2.297 20 30 GEEDMN C#CCN1CCC(C(=O)OCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000735940897 651802886 /nfs/dbraw/zinc/80/28/86/651802886.db2.gz USSLNHIBYGKIMU-UHFFFAOYSA-N 0 1 397.244 2.415 20 30 GEEDMN N#C[C@H](c1ccc(Br)cc1)N1CCN(CC[C@H]2CCNC2=O)CC1 ZINC000571937290 651862609 /nfs/dbraw/zinc/86/26/09/651862609.db2.gz QWSOEEPZZPSUSL-NVXWUHKLSA-N 0 1 391.313 2.158 20 30 GEEDMN C=CCOc1c(Br)cc(CN2CC(N3CC[C@@H](O)C3)C2)cc1OC ZINC000651978785 651909321 /nfs/dbraw/zinc/90/93/21/651909321.db2.gz FNJNIHAEGPHCLZ-OAHLLOKOSA-N 0 1 397.313 2.273 20 30 GEEDMN N#CC(C(=O)CCn1cc(Br)cn1)c1nnc2n1CCCCC2 ZINC000746416740 652104974 /nfs/dbraw/zinc/10/49/74/652104974.db2.gz RRPCBIIERFWDQL-LBPRGKRZSA-N 0 1 377.246 2.230 20 30 GEEDMN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000748002791 652187952 /nfs/dbraw/zinc/18/79/52/652187952.db2.gz QVHDCFRAYNSWSK-UHFFFAOYSA-N 0 1 379.825 2.420 20 30 GEEDMN O=C1Nc2c(cccc2I)C1=NNCCN1CCCCC1 ZINC000750934111 652314637 /nfs/dbraw/zinc/31/46/37/652314637.db2.gz GRWCLVZMJDZUJJ-UHFFFAOYSA-N 0 1 398.248 2.023 20 30 GEEDMN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1COCCN1 ZINC000627186174 652417679 /nfs/dbraw/zinc/41/76/79/652417679.db2.gz REMAEKBUJOVWJS-AWEZNQCLSA-N 0 1 386.265 2.274 20 30 GEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000756554351 652500827 /nfs/dbraw/zinc/50/08/27/652500827.db2.gz YVLCWEKCDQATHO-VXGBXAGGSA-N 0 1 399.310 2.270 20 30 GEEDMN CC(C)NS(=O)(=O)c1ccc(NN=Cc2ccc(Br)nc2)nc1 ZINC000756881643 652508217 /nfs/dbraw/zinc/50/82/17/652508217.db2.gz QNAMFIPXOLOPFH-UHFFFAOYSA-N 0 1 398.286 2.372 20 30 GEEDMN N#Cc1cc(Br)ccc1CC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000593507577 652623317 /nfs/dbraw/zinc/62/33/17/652623317.db2.gz KUKKRBPYDUWSFU-AWEZNQCLSA-N 0 1 392.297 2.044 20 30 GEEDMN C#CCCN1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000762794541 652719347 /nfs/dbraw/zinc/71/93/47/652719347.db2.gz OPQAAINOTOFDPL-UHFFFAOYSA-N 0 1 392.244 2.380 20 30 GEEDMN C#CCCCN1CCN(C(=O)c2ccccc2I)CC1 ZINC000766895008 652902345 /nfs/dbraw/zinc/90/23/45/652902345.db2.gz ILJNJACYPOABLN-UHFFFAOYSA-N 0 1 382.245 2.462 20 30 GEEDMN CC(C)NS(=O)(=O)c1ccc(NN=Cc2cncc(Br)c2)nc1 ZINC000767355200 652921222 /nfs/dbraw/zinc/92/12/22/652921222.db2.gz DQEFAJUJCHOZGY-UHFFFAOYSA-N 0 1 398.286 2.372 20 30 GEEDMN N#CCc1ccccc1S(=O)(=O)NCC1(N2CCSCC2)CCCC1 ZINC000601305506 653085527 /nfs/dbraw/zinc/08/55/27/653085527.db2.gz WSNSPDBKPFKTIT-UHFFFAOYSA-N 0 1 379.551 2.393 20 30 GEEDMN CS[C@H]1CN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1N1CCCC1 ZINC000601396680 653091001 /nfs/dbraw/zinc/09/10/01/653091001.db2.gz GONYDWDIROCBSP-HOTGVXAUSA-N 0 1 383.514 2.206 20 30 GEEDMN Cc1cc(C[C@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)n[nH]1 ZINC000601425314 653094154 /nfs/dbraw/zinc/09/41/54/653094154.db2.gz BQVAMDFXJLSZOP-JTQLQIEISA-N 0 1 383.271 2.262 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)N2CCC(N3CCCOCC3)CC2)cc1Cl ZINC000601440575 653095295 /nfs/dbraw/zinc/09/52/95/653095295.db2.gz TWOPRVLCEHCKIF-UHFFFAOYSA-N 0 1 383.901 2.087 20 30 GEEDMN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC1=NO[C@H](C)C1 ZINC000768489506 653114024 /nfs/dbraw/zinc/11/40/24/653114024.db2.gz VPJSQWKKDVZLJZ-SSDOTTSWSA-N 0 1 375.244 2.013 20 30 GEEDMN C#CCNC(=O)C1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000769023187 653141143 /nfs/dbraw/zinc/14/11/43/653141143.db2.gz YSFACWNDWOIPKT-UHFFFAOYSA-N 0 1 381.270 2.125 20 30 GEEDMN C=CCCn1cc(Cn2cc([C@@H](N)c3ccc(Br)cc3)nn2)nn1 ZINC000641182562 653166759 /nfs/dbraw/zinc/16/67/59/653166759.db2.gz RBFCAZJFPVZKLM-INIZCTEOSA-N 0 1 388.273 2.305 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000779893040 653615117 /nfs/dbraw/zinc/61/51/17/653615117.db2.gz MUCFSHHFLONVEQ-OAHLLOKOSA-N 0 1 383.901 2.133 20 30 GEEDMN C#CCN(C)CCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000815652592 653662484 /nfs/dbraw/zinc/66/24/84/653662484.db2.gz JKADDORPDXOEJZ-HNNXBMFYSA-N 0 1 385.327 2.212 20 30 GEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)c(Cl)c1 ZINC000782535003 653663829 /nfs/dbraw/zinc/66/38/29/653663829.db2.gz YEOVUTWOZXTSFL-UHFFFAOYSA-N 0 1 376.825 2.454 20 30 GEEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)c1 ZINC000782533709 653663852 /nfs/dbraw/zinc/66/38/52/653663852.db2.gz ITMLIUSAHWTXMP-UHFFFAOYSA-N 0 1 376.825 2.454 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000841007993 653704908 /nfs/dbraw/zinc/70/49/08/653704908.db2.gz WIADIIVQLGJMOK-WRWORJQWSA-N 0 1 388.063 2.445 20 30 GEEDMN CCOc1cc(Br)c(NC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1OCC ZINC000841082421 653706067 /nfs/dbraw/zinc/70/60/67/653706067.db2.gz KXZDDWYEBVJUNY-GXFFZTMASA-N 0 1 397.273 2.480 20 30 GEEDMN CCOCCOc1ccc(Br)cc1NC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000841176674 653709147 /nfs/dbraw/zinc/70/91/47/653709147.db2.gz MPUZNQNZVVRDME-BXUZGUMPSA-N 0 1 397.273 2.097 20 30 GEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cc(Cl)ccc1I ZINC000841251382 653712467 /nfs/dbraw/zinc/71/24/67/653712467.db2.gz UGCGXYGMYQOAIF-CPCISQLKSA-N 0 1 390.612 2.178 20 30 GEEDMN N#Cc1ccc(CNC[C@H](O)COc2cc(F)cc(Br)c2)nc1 ZINC000819312166 653749079 /nfs/dbraw/zinc/74/90/79/653749079.db2.gz PEZUXVDKEQCIKD-HNNXBMFYSA-N 0 1 380.217 2.384 20 30 GEEDMN NS(=O)(=O)c1ccc(NN=Cc2c(F)cccc2OC(F)(F)F)nc1 ZINC000788991534 653767897 /nfs/dbraw/zinc/76/78/97/653767897.db2.gz MSOVRXHPEWIWBO-UHFFFAOYSA-N 0 1 378.307 2.213 20 30 GEEDMN Cc1nn(C)c(C=Nn2c(=O)c3ccccc3[nH]c2=S)c1Br ZINC000790290760 653788941 /nfs/dbraw/zinc/78/89/41/653788941.db2.gz PIFRQISTSQCUED-UHFFFAOYSA-N 0 1 378.255 2.372 20 30 GEEDMN N#Cc1cc(Br)ccc1N1CC(C(=O)NOCC(F)(F)F)C1 ZINC000843828768 653795046 /nfs/dbraw/zinc/79/50/46/653795046.db2.gz YSBAHMTUQQQZBK-UHFFFAOYSA-N 0 1 378.148 2.367 20 30 GEEDMN C#CC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000883125348 653829551 /nfs/dbraw/zinc/82/95/51/653829551.db2.gz GJVVXGDCWQODIC-INIZCTEOSA-N 0 1 387.307 2.178 20 30 GEEDMN CC(C)(C#N)CNS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000867081168 653876244 /nfs/dbraw/zinc/87/62/44/653876244.db2.gz WGMDJZROTFZKTC-FQEVSTJZSA-N 0 1 394.316 2.290 20 30 GEEDMN C#C[C@@H]1CCCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000847022639 653915478 /nfs/dbraw/zinc/91/54/78/653915478.db2.gz IIRCEZQTCKRRIQ-CQSZACIVSA-N 0 1 381.307 2.382 20 30 GEEDMN Cc1c(Br)c(C)n(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c(=O)c1C#N ZINC000848376187 653973182 /nfs/dbraw/zinc/97/31/82/653973182.db2.gz MUDOUXKFTXOUFT-CWSCBRNRSA-N 0 1 395.301 2.431 20 30 GEEDMN C#CCN1CCC[C@H](N[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000886662496 653994268 /nfs/dbraw/zinc/99/42/68/653994268.db2.gz FOAHSCOQMAECNQ-NEPJUHHUSA-N 0 1 390.336 2.389 20 30 GEEDMN C#CC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1Br)C(=O)OC ZINC000916251144 654088530 /nfs/dbraw/zinc/08/85/30/654088530.db2.gz CTZZWLXEGNURQN-LLVKDONJSA-N 0 1 394.674 2.087 20 30 GEEDMN C=CCOC[C@H]([NH2+]Cc1c(Br)cncc1Br)C(=O)[O-] ZINC000901810181 654149906 /nfs/dbraw/zinc/14/99/06/654149906.db2.gz XKKKQYJUMNXURM-NSHDSACASA-N 0 1 394.063 2.352 20 30 GEEDMN N#CC1(c2ccccn2)CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000800583926 654150702 /nfs/dbraw/zinc/15/07/02/654150702.db2.gz XYDCIPFIQUSVPR-UHFFFAOYSA-N 0 1 377.520 2.398 20 30 GEEDMN Cc1[nH]nc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1Br ZINC000919712322 654190274 /nfs/dbraw/zinc/19/02/74/654190274.db2.gz LJZDIXPETUMSQB-UHFFFAOYSA-N 0 1 392.232 2.454 20 30 GEEDMN Cc1nn(C)c(NS(=O)(=O)CCc2ccccc2Br)c1C#N ZINC000903173407 654224441 /nfs/dbraw/zinc/22/44/41/654224441.db2.gz OGAXTTIVYZQCNK-UHFFFAOYSA-N 0 1 383.271 2.347 20 30 GEEDMN CCn1ncc(C#N)c1NS(=O)(=O)Cc1c(Br)cccc1OC ZINC000872005438 654309852 /nfs/dbraw/zinc/30/98/52/654309852.db2.gz IGWNBVNCLGGJKX-UHFFFAOYSA-N 0 1 399.270 2.488 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000834490280 654329736 /nfs/dbraw/zinc/32/97/36/654329736.db2.gz UBTKKWCWPBXYLD-JOYOIKCWSA-N 0 1 378.219 2.417 20 30 GEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000834493493 654329811 /nfs/dbraw/zinc/32/98/11/654329811.db2.gz DTYDUELABCDSFN-GZMMTYOYSA-N 0 1 397.323 2.404 20 30 GEEDMN Cc1nn(C)c2nc(Cl)cc(N=NCc3nc(Br)nn3C)c12 ZINC000872422552 654331742 /nfs/dbraw/zinc/33/17/42/654331742.db2.gz PVHDALGVYLEAOG-UHFFFAOYSA-N 0 1 383.641 2.267 20 30 GEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc2nc(Cl)cnc2c1 ZINC000922023698 654356071 /nfs/dbraw/zinc/35/60/71/654356071.db2.gz LWHLTORQPDUQIO-UHFFFAOYSA-N 0 1 378.885 2.001 20 30 GEEDMN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCC[C@H](C(F)(F)F)O2)c1 ZINC000905569711 654366744 /nfs/dbraw/zinc/36/67/44/654366744.db2.gz XIUPYRGRVAYXEU-UKRRQHHQSA-N 0 1 376.400 2.422 20 30 GEEDMN Cc1cc(CNc2n[nH]c(N3CCOCC3)c2C#N)ncc1Br ZINC000922361074 654386580 /nfs/dbraw/zinc/38/65/80/654386580.db2.gz AOBOAEKMFJFJOY-UHFFFAOYSA-N 0 1 377.246 2.196 20 30 GEEDMN N#C[C@@]1(c2ccccn2)CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC000855303546 654411001 /nfs/dbraw/zinc/41/10/01/654411001.db2.gz FPRPGQDCLNGFAY-HNNXBMFYSA-N 0 1 377.520 2.398 20 30 GEEDMN C#CCN1CCC(NC(=O)NCc2cc(OC)c(O)cc2Br)CC1 ZINC000923051067 654426400 /nfs/dbraw/zinc/42/64/00/654426400.db2.gz WKVKNOGRQDEXPO-UHFFFAOYSA-N 0 1 396.285 2.060 20 30 GEEDMN Cn1nc(Br)nc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000893916080 654431343 /nfs/dbraw/zinc/43/13/43/654431343.db2.gz DBBJDAPBWRGUBZ-UHFFFAOYSA-N 0 1 389.301 2.157 20 30 GEEDMN CON=C(C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1csc(N)n1 ZINC000873843145 654471781 /nfs/dbraw/zinc/47/17/81/654471781.db2.gz JHGWIPCTNHDWOM-LBPRGKRZSA-N 0 1 379.511 2.091 20 30 GEEDMN C#CC[N@@H+](C)CCCNC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000909038517 654650984 /nfs/dbraw/zinc/65/09/84/654650984.db2.gz XEAGJPCXJPAZCX-KRWDZBQOSA-N 0 1 396.285 2.003 20 30 GEEDMN N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(Br)[nH]n3)C2)nc1 ZINC000928719560 654656529 /nfs/dbraw/zinc/65/65/29/654656529.db2.gz DPNIJVQYRJERGC-NSHDSACASA-N 0 1 375.230 2.156 20 30 GEEDMN C[C@](O)(CN1CCC(C(=O)NCC(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000929166286 654674045 /nfs/dbraw/zinc/67/40/45/654674045.db2.gz NGIAQLAWQRWTIY-JTQLQIEISA-N 0 1 386.283 2.326 20 30 GEEDMN CN(CC1CN(C)C1)C(=O)Nc1ccc(C#N)cc1I ZINC000932553740 654781857 /nfs/dbraw/zinc/78/18/57/654781857.db2.gz QUCQIVDPASBGND-UHFFFAOYSA-N 0 1 384.221 2.188 20 30 GEEDMN C#CCN1CCC(NC(=O)Nc2cnc(OC)c(Br)c2C)CC1 ZINC000932960811 654798321 /nfs/dbraw/zinc/79/83/21/654798321.db2.gz SKBBPVRFSAXSEE-UHFFFAOYSA-N 0 1 381.274 2.380 20 30 GEEDMN CN(C)C1(CNS(=O)(=O)Cc2csc(C#N)c2)Cc2ccccc2C1 ZINC000914181525 654833010 /nfs/dbraw/zinc/83/30/10/654833010.db2.gz QKZBRWFMCJPWEG-UHFFFAOYSA-N 0 1 375.519 2.138 20 30 GEEDMN NS(=O)(=O)c1ccc(NN=Cc2csc(-c3ccc(F)cc3)n2)nc1 ZINC000914697578 654856552 /nfs/dbraw/zinc/85/65/52/654856552.db2.gz RYSDTTWVGMJRBF-UHFFFAOYSA-N 0 1 377.426 2.438 20 30 GEEDMN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN=Nc1cc(C)nc(C)n1 ZINC000915970523 654883646 /nfs/dbraw/zinc/88/36/46/654883646.db2.gz FCHBVGXFVIPDBK-LBPRGKRZSA-N 0 1 382.877 2.057 20 30 GEEDMN