smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H]2OCCN(c3ncccn3)[C@H]2C1 ZINC001164695169 719794062 /nfs/dbraw/zinc/79/40/62/719794062.db2.gz JQJXGKAEICOVOP-UONOGXRCSA-N 0 0 392.797 2.036 20 30 GEEDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(C(C)C)ccc1C#N ZINC001164698652 719842294 /nfs/dbraw/zinc/84/22/94/719842294.db2.gz GMRQQCBXWLRTTE-LAUBAEHRSA-N 0 0 386.496 2.309 20 30 GEEDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nccc2ccc(C#N)cc21 ZINC001164699424 719850254 /nfs/dbraw/zinc/85/02/54/719850254.db2.gz FBJYOUFFINILCG-GCJKJVERSA-N 0 0 394.475 2.339 20 30 GEEDRN Cc1noc([C@@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(C#N)c2)C3)n1 ZINC001164807083 720057812 /nfs/dbraw/zinc/05/78/12/720057812.db2.gz VIKDYCYXDYCGMR-DOMZBBRYSA-N 0 0 381.770 2.247 20 30 GEEDRN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2ccc(C#N)c(Cl)n2)cn1 ZINC001164715751 720067909 /nfs/dbraw/zinc/06/79/09/720067909.db2.gz UHWBUYXLDJPDDE-CHWSQXEVSA-N 0 0 392.797 2.269 20 30 GEEDRN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)cc2C#N)cn1 ZINC001164713367 720072603 /nfs/dbraw/zinc/07/26/03/720072603.db2.gz SRMVQCQQFKJMSN-KBPBESRZSA-N 0 0 392.797 2.269 20 30 GEEDRN N#Cc1c(Cl)nccc1C(F)(F)N1C[C@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001164846909 720799503 /nfs/dbraw/zinc/79/95/03/720799503.db2.gz KLYJFUHUAZGNOV-VHDGCEQUSA-N 0 0 396.825 2.271 20 30 GEEDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cnc(C#N)c(C)n3)C2)C1 ZINC001164780695 721361376 /nfs/dbraw/zinc/36/13/76/721361376.db2.gz GOIOLTIBDXXIGE-NRFANRHFSA-N 0 0 396.495 2.381 20 30 GEEDRN N#Cc1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](C(=O)NCC4CC4)C[C@H]32)nc1Cl ZINC001164888345 721454835 /nfs/dbraw/zinc/45/48/35/721454835.db2.gz LPEXYXNUXFMVNB-HZSPNIEDSA-N 0 0 396.825 2.414 20 30 GEEDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)nc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164810711 721537328 /nfs/dbraw/zinc/53/73/28/721537328.db2.gz YHSRPAUCWLQZST-LZLYRXPVSA-N 0 0 384.871 2.265 20 30 GEEDRN Cn1ccc(CN2CCOCC23CCN(c2ncc(C#N)cc2Cl)CC3)n1 ZINC001164931663 721902996 /nfs/dbraw/zinc/90/29/96/721902996.db2.gz WQTIATHBHBHFDF-UHFFFAOYSA-N 0 0 386.887 2.212 20 30 GEEDRN CS(=O)(=O)N1C[C@H]2[C@H](C1)CCCN2C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001164948972 721983878 /nfs/dbraw/zinc/98/38/78/721983878.db2.gz NTIFBEBRMOHTFB-RYUDHWBXSA-N 0 0 390.843 2.012 20 30 GEEDRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1ccnc(Cl)c1C#N)CCO2 ZINC001164969323 722083300 /nfs/dbraw/zinc/08/33/00/722083300.db2.gz MOYDPRNPRLUYEB-INIZCTEOSA-N 0 0 384.814 2.369 20 30 GEEDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C)nc(C#N)n4)CC[C@H]32)cs1 ZINC001164991255 722183379 /nfs/dbraw/zinc/18/33/79/722183379.db2.gz PNRNZGIOVUWPRR-SJORKVTESA-N 0 0 384.509 2.291 20 30 GEEDRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(C#N)c1)CCC2 ZINC001165000140 722228149 /nfs/dbraw/zinc/22/81/49/722228149.db2.gz QWMCNCRDPAAMGM-UHFFFAOYSA-N 0 0 394.813 2.394 20 30 GEEDRN C=CCNc1nnc(S(=O)(=O)Cc2nc(-c3ccccc3F)no2)s1 ZINC000479009602 531351714 /nfs/dbraw/zinc/35/17/14/531351714.db2.gz BLWNKRSEFNNHJC-UHFFFAOYSA-N 0 0 381.414 2.299 20 30 GEEDRN C=CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N(CC)C2CCCCC2)s1 ZINC000479014240 531351767 /nfs/dbraw/zinc/35/17/67/531351767.db2.gz RYRAFRRIJUUYNW-GFCCVEGCSA-N 0 0 386.543 2.479 20 30 GEEDRN Cc1cc(NC(=O)NCC(=O)NCC#N)nn1-c1ccc(Cl)cc1Cl ZINC000480650278 531373491 /nfs/dbraw/zinc/37/34/91/531373491.db2.gz OJQNDFMJBBZJMJ-UHFFFAOYSA-N 0 0 381.223 2.249 20 30 GEEDRN C=CCNc1nnc(Sc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])s1 ZINC000484194406 531417249 /nfs/dbraw/zinc/41/72/49/531417249.db2.gz XGCJQVVOXDVCTQ-UHFFFAOYSA-N 0 0 387.468 2.104 20 30 GEEDRN CN(C)C(=O)Cn1ccc(NC(=O)Nc2ccc(C#N)c(Br)c2)n1 ZINC000487936783 531479482 /nfs/dbraw/zinc/47/94/82/531479482.db2.gz TZDYZIQUIBUTGM-UHFFFAOYSA-N 0 0 391.229 2.249 20 30 GEEDRN COc1cc(Br)c(CNC(=O)Nc2nn(C)cc2C#N)cc1OC ZINC000610565537 531508239 /nfs/dbraw/zinc/50/82/39/531508239.db2.gz YKAFTHOQUWQSIZ-UHFFFAOYSA-N 0 0 394.229 2.393 20 30 GEEDRN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000151930981 531522359 /nfs/dbraw/zinc/52/23/59/531522359.db2.gz IOEBQOIOMXBVAX-HZPDHXFCSA-N 0 0 393.262 2.257 20 30 GEEDRN N#CC1(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CCOCC1 ZINC000152056557 531528599 /nfs/dbraw/zinc/52/85/99/531528599.db2.gz UCFAYEGSPZABBH-UHFFFAOYSA-N 0 0 375.226 2.437 20 30 GEEDRN CN(C(=O)Nc1nn(C)cc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000611228277 531530111 /nfs/dbraw/zinc/53/01/11/531530111.db2.gz FBFRRKBBXIJBSB-ZDUSSCGKSA-N 0 0 378.230 2.252 20 30 GEEDRN C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000152362757 531544910 /nfs/dbraw/zinc/54/49/10/531544910.db2.gz VHJJNTHHZDDZJG-SNVBAGLBSA-N 0 0 379.419 2.468 20 30 GEEDRN C=CCn1c(S[C@H](C)C(=O)NC(=O)NC2CC2)nc2sccc2c1=O ZINC000012723903 531553748 /nfs/dbraw/zinc/55/37/48/531553748.db2.gz UVSCOXJBVXWDTN-SECBINFHSA-N 0 0 378.479 2.113 20 30 GEEDRN C=CCn1c(SCC(=O)NCCCOC)nc2cc(Cl)ccc2c1=O ZINC000009085482 531549614 /nfs/dbraw/zinc/54/96/14/531549614.db2.gz LRJAXLUYFVGPTI-UHFFFAOYSA-N 0 0 381.885 2.481 20 30 GEEDRN C=CCn1c(SCC(=O)N[C@@H](C(C)=O)C(C)C)nc2sccc2c1=O ZINC000014566473 531566409 /nfs/dbraw/zinc/56/64/09/531566409.db2.gz ORMPKNSRVUMYCF-CQSZACIVSA-N 0 0 379.507 2.466 20 30 GEEDRN COC[C@](C)(C#N)NC(=O)c1cc(I)c(F)cc1F ZINC000153024941 531584660 /nfs/dbraw/zinc/58/46/60/531584660.db2.gz GMISTLZMNARIMT-LBPRGKRZSA-N 0 0 380.132 2.228 20 30 GEEDRN C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H](C#N)C1CC1 ZINC000153419476 531599129 /nfs/dbraw/zinc/59/91/29/531599129.db2.gz UROFCFKUMFIZSU-QMTHXVAHSA-N 0 0 385.283 2.277 20 30 GEEDRN C#CCNC(=O)[C@H](C)Sc1nc2ccc(Br)cc2c(=O)n1CC ZINC000024017593 531600389 /nfs/dbraw/zinc/60/03/89/531600389.db2.gz DBKWWYHRJXVSII-JTQLQIEISA-N 0 0 394.294 2.409 20 30 GEEDRN C=C(C)CN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000153745464 531608188 /nfs/dbraw/zinc/60/81/88/531608188.db2.gz GFYSJHJFAQLVPE-UHFFFAOYSA-N 0 0 386.539 2.448 20 30 GEEDRN N#Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)ccc1F ZINC000153906535 531611657 /nfs/dbraw/zinc/61/16/57/531611657.db2.gz BKHKNXUGLIHQRX-UHFFFAOYSA-N 0 0 398.213 2.360 20 30 GEEDRN COC(=O)c1cc(C#N)c(=O)n(CCOc2ccc(Br)cc2)c1 ZINC000025962999 531615118 /nfs/dbraw/zinc/61/51/18/531615118.db2.gz RZEVJXZMZYUSHQ-UHFFFAOYSA-N 0 0 377.194 2.348 20 30 GEEDRN N#Cc1cc(Br)cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1 ZINC000153979908 531617311 /nfs/dbraw/zinc/61/73/11/531617311.db2.gz GQSQZNKIFJEDJC-UHFFFAOYSA-N 0 0 392.234 2.365 20 30 GEEDRN Cc1nc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)ccc1C#N ZINC000028028490 531628877 /nfs/dbraw/zinc/62/88/77/531628877.db2.gz RJVGWMRFKRSKRT-UHFFFAOYSA-N 0 0 386.253 2.382 20 30 GEEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CC)CCO ZINC000154722853 531629488 /nfs/dbraw/zinc/62/94/88/531629488.db2.gz ODQAWPORQOOPQK-GFCCVEGCSA-N 0 0 385.258 2.375 20 30 GEEDRN Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)sc1C ZINC000154971111 531645743 /nfs/dbraw/zinc/64/57/43/531645743.db2.gz ZZFGTNMNAYSUFL-UHFFFAOYSA-N 0 0 380.470 2.282 20 30 GEEDRN CC#CCCN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O ZINC000154875512 531639277 /nfs/dbraw/zinc/63/92/77/531639277.db2.gz ODLPCOSZLHWLLB-OAHLLOKOSA-N 0 0 382.201 2.472 20 30 GEEDRN C=CCCOCCNC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000155052162 531653890 /nfs/dbraw/zinc/65/38/90/531653890.db2.gz ODUROAJBMYSVMW-NSHDSACASA-N 0 0 395.253 2.143 20 30 GEEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1nn(C)cc1Br ZINC000500060061 531655290 /nfs/dbraw/zinc/65/52/90/531655290.db2.gz KWSVJWYPVZTGRE-UHFFFAOYSA-N 0 0 386.213 2.196 20 30 GEEDRN C=CCCOCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000155190044 531663822 /nfs/dbraw/zinc/66/38/22/531663822.db2.gz HUUZVVVFEBLCNX-JTQLQIEISA-N 0 0 375.288 2.338 20 30 GEEDRN CC1(C)[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]2CCO[C@@H]21 ZINC000155237787 531665984 /nfs/dbraw/zinc/66/59/84/531665984.db2.gz IACLQKVHBFKQLV-RDBSUJKOSA-N 0 0 385.283 2.413 20 30 GEEDRN Cn1cc(C#N)c(NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000618758528 531692876 /nfs/dbraw/zinc/69/28/76/531692876.db2.gz KUFFHVYGGVPARX-ZDUSSCGKSA-N 0 0 389.257 2.455 20 30 GEEDRN N#Cc1ccc(CNC(=O)c2cc(Cn3cc(Br)cn3)on2)cc1 ZINC000156013785 531710633 /nfs/dbraw/zinc/71/06/33/531710633.db2.gz MYXBMWFYKHTTCW-UHFFFAOYSA-N 0 0 386.209 2.484 20 30 GEEDRN C#CCCCCNC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O ZINC000155850247 531702552 /nfs/dbraw/zinc/70/25/52/531702552.db2.gz CVRBPFNTMSRBAS-LLVKDONJSA-N 0 0 377.238 2.353 20 30 GEEDRN C#CCCCCNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000155969010 531706839 /nfs/dbraw/zinc/70/68/39/531706839.db2.gz OCBIRNMVUBPVJZ-UHFFFAOYSA-N 0 0 383.901 2.055 20 30 GEEDRN C[C@@H]1CN(C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000156300345 531727781 /nfs/dbraw/zinc/72/77/81/531727781.db2.gz KLWHBACCHZNNII-BETUJISGSA-N 0 0 385.917 2.378 20 30 GEEDRN C=CCNC(=O)CN1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000053309877 531760788 /nfs/dbraw/zinc/76/07/88/531760788.db2.gz BIJQDYFUHJOZTA-UHFFFAOYSA-N 0 0 381.929 2.020 20 30 GEEDRN C=CCN(C(=O)c1cc(OC)c(Br)s1)[C@H]1CCS(=O)(=O)C1 ZINC000158014304 531762008 /nfs/dbraw/zinc/76/20/08/531762008.db2.gz HVIBCNBFPNQLSQ-VIFPVBQESA-N 0 0 394.312 2.335 20 30 GEEDRN N#CCCCCS(=O)(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000160014618 531801627 /nfs/dbraw/zinc/80/16/27/531801627.db2.gz FBYIWJBZRJPVIZ-NSHDSACASA-N 0 0 381.281 2.346 20 30 GEEDRN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCC#Cc1ccccc1 ZINC000055317451 531789613 /nfs/dbraw/zinc/78/96/13/531789613.db2.gz OCJLYAZDJFROOJ-UHFFFAOYSA-N 0 0 376.865 2.176 20 30 GEEDRN CN(Cc1cc(Br)cn1C)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000160121708 531805521 /nfs/dbraw/zinc/80/55/21/531805521.db2.gz NXSDWLHSIXKOTF-UHFFFAOYSA-N 0 0 393.216 2.395 20 30 GEEDRN C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000056140090 531808899 /nfs/dbraw/zinc/80/88/99/531808899.db2.gz BPXXQULEPFDLTO-JTQLQIEISA-N 0 0 384.306 2.357 20 30 GEEDRN N#Cc1cc(S(=O)(=O)N2CCN(Cc3cscn3)CC2)ccc1Cl ZINC000057009908 531817496 /nfs/dbraw/zinc/81/74/96/531817496.db2.gz SQIKKLUNQKKZCN-UHFFFAOYSA-N 0 0 382.898 2.175 20 30 GEEDRN Cc1sc2nc(CCC(=O)NC3(C#N)CCSCC3)[nH]c(=O)c2c1C ZINC000162488095 531843963 /nfs/dbraw/zinc/84/39/63/531843963.db2.gz BWOIOFBSSDYARZ-UHFFFAOYSA-N 0 0 376.507 2.440 20 30 GEEDRN C=CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000060555481 531844586 /nfs/dbraw/zinc/84/45/86/531844586.db2.gz NYARCNGDDASDHV-OCCSQVGLSA-N 0 0 384.479 2.277 20 30 GEEDRN COc1ccc(Br)c(C(=O)N(CCC#N)CCN2CCOCC2)c1 ZINC000060634186 531847497 /nfs/dbraw/zinc/84/74/97/531847497.db2.gz AXAATZFBZWSRGL-UHFFFAOYSA-N 0 0 396.285 2.146 20 30 GEEDRN C=CCn1c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n[nH]c1=O ZINC000163514093 531858297 /nfs/dbraw/zinc/85/82/97/531858297.db2.gz JLJGOSATXZIVPS-UHFFFAOYSA-N 0 0 377.857 2.450 20 30 GEEDRN CCS(=O)(=O)CC(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000064456997 531865746 /nfs/dbraw/zinc/86/57/46/531865746.db2.gz YOYLOFYALPDKKW-UHFFFAOYSA-N 0 0 387.259 2.112 20 30 GEEDRN Cn1cc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)c(C(F)(F)F)n1 ZINC000165295554 531871034 /nfs/dbraw/zinc/87/10/34/531871034.db2.gz PVZKRVJYJNJSHT-UHFFFAOYSA-N 0 0 376.335 2.069 20 30 GEEDRN N#C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)c1cccc(Cl)c1Cl ZINC000066392112 531874724 /nfs/dbraw/zinc/87/47/24/531874724.db2.gz XIYOFESYSACVQI-GFCCVEGCSA-N 0 0 376.203 2.184 20 30 GEEDRN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)C[C@@H](C)C#N ZINC000068081924 531896183 /nfs/dbraw/zinc/89/61/83/531896183.db2.gz RAUIEDZXXGQVSO-GOEBONIOSA-N 0 0 383.539 2.013 20 30 GEEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000172671590 531963491 /nfs/dbraw/zinc/96/34/91/531963491.db2.gz OEWPYGUCVURPMZ-UHFFFAOYSA-N 0 0 375.475 2.075 20 30 GEEDRN C=CCn1c2ccccc2nc1SCCNS(=O)(=O)c1cnn(C)c1 ZINC000172899295 531974040 /nfs/dbraw/zinc/97/40/40/531974040.db2.gz YCSTXLRCXUEYRP-UHFFFAOYSA-N 0 0 377.495 2.026 20 30 GEEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000172982454 531976743 /nfs/dbraw/zinc/97/67/43/531976743.db2.gz AIURWKJTPVCFQE-UHFFFAOYSA-N 0 0 395.893 2.420 20 30 GEEDRN N#Cc1cc(NC(=O)C(=O)N2CCC(O)(C(F)(F)F)CC2)ccc1Cl 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/nfs/dbraw/zinc/28/77/44/654287744.db2.gz UOZDUVJARUFDOS-NSHDSACASA-N 0 0 392.209 2.296 20 30 GEEDRN C=CC[S@@](=O)(=NC(=O)[C@@H]1COCCN1CC(F)(F)F)c1ccccc1 ZINC000891380648 654290482 /nfs/dbraw/zinc/29/04/82/654290482.db2.gz QXXRXLMICWEXGP-SXBQZSJRSA-N 0 0 376.400 2.489 20 30 GEEDRN O=S1(=O)Cc2ccccc2C(=NNC(=S)NCCc2cccs2)C1 ZINC000853286803 654290752 /nfs/dbraw/zinc/29/07/52/654290752.db2.gz MMBCUEDVHTWHCV-UHFFFAOYSA-N 0 0 379.532 2.087 20 30 GEEDRN O=[S@]1CCCC(N=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)CC1 ZINC000853288524 654290888 /nfs/dbraw/zinc/29/08/88/654290888.db2.gz MSBAGLHKWVWWFE-DEOSSOPVSA-N 0 0 384.527 2.003 20 30 GEEDRN CNC(=O)CNC(=S)NN=C(C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000853306006 654291641 /nfs/dbraw/zinc/29/16/41/654291641.db2.gz OZQGEMDWMAVUIV-UHFFFAOYSA-N 0 0 380.823 2.487 20 30 GEEDRN O=S(=O)(c1ccccc1N=NC[C@H]1CC1(Cl)Cl)N1CCOCC1 ZINC000853315018 654291686 /nfs/dbraw/zinc/29/16/86/654291686.db2.gz YMDXAEKVSNUTGK-LLVKDONJSA-N 0 0 378.281 2.299 20 30 GEEDRN C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000891405611 654291873 /nfs/dbraw/zinc/29/18/73/654291873.db2.gz BBRKILGAPJLIOL-SECBINFHSA-N 0 0 375.650 2.484 20 30 GEEDRN C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000891406572 654291918 /nfs/dbraw/zinc/29/19/18/654291918.db2.gz HZEBCIJTRGKXTB-ZDUSSCGKSA-N 0 0 381.270 2.320 20 30 GEEDRN Cc1nnc(N=NC(C)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1C ZINC000853432617 654295114 /nfs/dbraw/zinc/29/51/14/654295114.db2.gz BKFYRWWFWLMETL-UHFFFAOYSA-N 0 0 375.376 2.296 20 30 GEEDRN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2cc(Br)cnc2C#N)C1 ZINC000853452753 654296527 /nfs/dbraw/zinc/29/65/27/654296527.db2.gz XHKFWRRQPSZOLE-ABAIWWIYSA-N 0 0 376.258 2.399 20 30 GEEDRN CCOC(=O)[C@H](F)C1CN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000832857140 654300489 /nfs/dbraw/zinc/30/04/89/654300489.db2.gz XKRFVMCCQNHGBI-OAHLLOKOSA-N 0 0 399.216 2.059 20 30 GEEDRN C=C(Br)CNC(=O)C(=O)NCc1ccc(OC2CCCCC2)nc1 ZINC000804102588 654300851 /nfs/dbraw/zinc/30/08/51/654300851.db2.gz BYWXXWYLCNALHO-UHFFFAOYSA-N 0 0 396.285 2.434 20 30 GEEDRN N#Cc1cccc(CS(=O)(=O)NCC2(n3cc(Br)cn3)CC2)c1 ZINC000921664059 654301473 /nfs/dbraw/zinc/30/14/73/654301473.db2.gz JUIMQWKLNIELJV-UHFFFAOYSA-N 0 0 395.282 2.126 20 30 GEEDRN C=CCOC(=O)[C@@H](N)Cc1nc(Cc2ccc(Br)cc2C)no1 ZINC000904105200 654302195 /nfs/dbraw/zinc/30/21/95/654302195.db2.gz BDUXWFQGGGNSGO-ZDUSSCGKSA-N 0 0 380.242 2.330 20 30 GEEDRN C[C@H](C#N)N(Cn1nc(-c2cccs2)n(CCC(N)=O)c1=S)C1CC1 ZINC000853547230 654302991 /nfs/dbraw/zinc/30/29/91/654302991.db2.gz SLWNBQOLEZDBBO-LLVKDONJSA-N 0 0 376.511 2.352 20 30 GEEDRN C#C[C@@H](NC(=O)CC(=O)NCC(F)(F)F)c1ccc(Br)cc1 ZINC000833230772 654303948 /nfs/dbraw/zinc/30/39/48/654303948.db2.gz JPYWIAIMWUFXNA-LLVKDONJSA-N 0 0 377.160 2.308 20 30 GEEDRN C#CCOCCC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000804269517 654304484 /nfs/dbraw/zinc/30/44/84/654304484.db2.gz XSOXLFNTEJBARH-UHFFFAOYSA-N 0 0 380.242 2.307 20 30 GEEDRN C#CCN1CCN(c2ncnc(CC(C)C)c2I)CC1 ZINC000804339432 654306155 /nfs/dbraw/zinc/30/61/55/654306155.db2.gz GJJQILBFTFCWBL-UHFFFAOYSA-N 0 0 384.265 2.035 20 30 GEEDRN O=C(C#Cc1ccccc1)NCCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000804352387 654306557 /nfs/dbraw/zinc/30/65/57/654306557.db2.gz MHMIVUNHXOBNRP-UHFFFAOYSA-N 0 0 397.283 2.440 20 30 GEEDRN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000921703809 654307972 /nfs/dbraw/zinc/30/79/72/654307972.db2.gz AOZNTQISCMEGGE-ZDUSSCGKSA-N 0 0 382.555 2.365 20 30 GEEDRN C#CCCN1CCN(c2ncnc(CC(C)C)c2I)CC1 ZINC000804387841 654308385 /nfs/dbraw/zinc/30/83/85/654308385.db2.gz IUZIDROSIQYFIK-UHFFFAOYSA-N 0 0 398.292 2.425 20 30 GEEDRN C#C[C@H](NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O)c1ccc(Cl)cc1F ZINC000804416984 654308712 /nfs/dbraw/zinc/30/87/12/654308712.db2.gz LYVGDFYWPINXFD-JKSUJKDBSA-N 0 0 386.876 2.330 20 30 GEEDRN COC(=O)c1cc(F)cc(S(=O)(=O)N(C)[C@@H](C#N)C2(SC)CC2)c1F ZINC000872009315 654311368 /nfs/dbraw/zinc/31/13/68/654311368.db2.gz KJUQRIAYVBHRJP-LBPRGKRZSA-N 0 0 390.433 2.160 20 30 GEEDRN COCCOc1ccc(S(=O)(=O)N(C)[C@H](C#N)C2(SC)CC2)cc1C ZINC000872009119 654311428 /nfs/dbraw/zinc/31/14/28/654311428.db2.gz UULRFUHQSGXULD-MRXNPFEDSA-N 0 0 384.523 2.429 20 30 GEEDRN COC(=O)CCN1CCC[C@H](ON=Cc2ccccc2Br)C1=O ZINC000853640577 654312372 /nfs/dbraw/zinc/31/23/72/654312372.db2.gz MDIKISAQRHVVJF-AWEZNQCLSA-N 0 0 383.242 2.354 20 30 GEEDRN CCOC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000921728767 654312915 /nfs/dbraw/zinc/31/29/15/654312915.db2.gz KHBGTFYRBIQPFW-NSHDSACASA-N 0 0 376.356 2.151 20 30 GEEDRN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000804560871 654314101 /nfs/dbraw/zinc/31/41/01/654314101.db2.gz OLYWAZKKDDYVAZ-INIZCTEOSA-N 0 0 385.555 2.289 20 30 GEEDRN CCn1c(Br)c(Br)nc1CN1CCO[C@H](C#N)C1 ZINC000891949219 654320097 /nfs/dbraw/zinc/32/00/97/654320097.db2.gz PAHFMFCBSFKZQV-MRVPVSSYSA-N 0 0 378.068 2.152 20 30 GEEDRN N#CCCCS(=O)(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000921776053 654320945 /nfs/dbraw/zinc/32/09/45/654320945.db2.gz MZQMCHIHMWBKQB-OAHLLOKOSA-N 0 0 387.299 2.366 20 30 GEEDRN C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc(Br)c(OC)c2)CC1 ZINC000891986528 654322003 /nfs/dbraw/zinc/32/20/03/654322003.db2.gz SBWQRRLOJHAEMA-UHFFFAOYSA-N 0 0 397.269 2.326 20 30 GEEDRN CCn1c(=O)c(=Cc2csc(C)c2C)sc1=C(C#N)C(=O)C(C)(C)F ZINC000872325054 654322718 /nfs/dbraw/zinc/32/27/18/654322718.db2.gz ZTGGTQADBOGNHM-UHFFFAOYSA-N 0 0 378.494 2.428 20 30 GEEDRN Cc1cc(N2CC[C@H](NCc3cc(C#N)ccc3Br)C2=O)n(C)n1 ZINC000921794053 654325091 /nfs/dbraw/zinc/32/50/91/654325091.db2.gz PUGCSBFDRMAVRK-HNNXBMFYSA-N 0 0 388.269 2.258 20 30 GEEDRN Brc1cnn(N=Cc2ccc(OCCN3CCOCC3)cc2)c1 ZINC000872359535 654326396 /nfs/dbraw/zinc/32/63/96/654326396.db2.gz IFIHRCRPXICTPL-UHFFFAOYSA-N 0 0 379.258 2.239 20 30 GEEDRN N#Cc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)cc1 ZINC000804955686 654328437 /nfs/dbraw/zinc/32/84/37/654328437.db2.gz VHXZIPZVXBPFSG-UHFFFAOYSA-N 0 0 386.401 2.033 20 30 GEEDRN N#Cc1c(Br)cccc1OCC(=O)NCCC[C@H]1CCOC1=O ZINC000834471738 654328397 /nfs/dbraw/zinc/32/83/97/654328397.db2.gz ISLRSXQDOUMEEL-NSHDSACASA-N 0 0 381.226 2.159 20 30 GEEDRN N#Cc1sccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000905112964 654333121 /nfs/dbraw/zinc/33/31/21/654333121.db2.gz NMGQLYFTVZVGTO-UHFFFAOYSA-N 0 0 395.893 2.420 20 30 GEEDRN C#CC[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)s2)C1 ZINC000834543025 654333063 /nfs/dbraw/zinc/33/30/63/654333063.db2.gz LZHAWTJXXCFKMJ-GFCCVEGCSA-N 0 0 383.311 2.431 20 30 GEEDRN C=C(Br)CNC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000805002222 654333084 /nfs/dbraw/zinc/33/30/84/654333084.db2.gz SOFWDXPUTVGACX-UHFFFAOYSA-N 0 0 389.681 2.481 20 30 GEEDRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C=O)s3)CC2)c(C#N)c1 ZINC000872431136 654333219 /nfs/dbraw/zinc/33/32/19/654333219.db2.gz RNVLGQGYQGFLAQ-UHFFFAOYSA-N 0 0 375.475 2.252 20 30 GEEDRN C#CCCCS(=O)(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000805011889 654334979 /nfs/dbraw/zinc/33/49/79/654334979.db2.gz JEPPLQMKRSQLBW-CYBMUJFWSA-N 0 0 379.400 2.120 20 30 GEEDRN Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)c(C#N)c1 ZINC000872449252 654339055 /nfs/dbraw/zinc/33/90/55/654339055.db2.gz NHQCZAGZYCJIRM-DZGCQCFKSA-N 0 0 381.523 2.091 20 30 GEEDRN COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cn(C)nc1C ZINC000805038399 654339365 /nfs/dbraw/zinc/33/93/65/654339365.db2.gz DJOHCQFKFCBHSK-UHFFFAOYSA-N 0 0 386.227 2.139 20 30 GEEDRN Cc1cccc(C#N)c1S(=O)(=O)N1CSC[C@H]1C(=O)N[C@H](C)C(C)C ZINC000872450413 654339513 /nfs/dbraw/zinc/33/95/13/654339513.db2.gz YEBDFXQZKIHINT-HIFRSBDPSA-N 0 0 381.523 2.091 20 30 GEEDRN C#C[C@@H](CC)NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000854077789 654339490 /nfs/dbraw/zinc/33/94/90/654339490.db2.gz BJRKCOKFCNCWBS-WFASDCNBSA-N 0 0 383.286 2.320 20 30 GEEDRN C[C@@]1(C#N)CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000805061463 654343882 /nfs/dbraw/zinc/34/38/82/654343882.db2.gz RHXXWZNUPUJUNS-ZDUSSCGKSA-N 0 0 396.412 2.294 20 30 GEEDRN C#CCCCS(=O)(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000805083446 654347642 /nfs/dbraw/zinc/34/76/42/654347642.db2.gz AVOSKUUQTRGLSC-UHFFFAOYSA-N 0 0 384.255 2.332 20 30 GEEDRN Cc1cccc(C#N)c1S(=O)(=O)N1CCN([C@H](C)c2nccs2)CC1 ZINC000872473884 654348880 /nfs/dbraw/zinc/34/88/80/654348880.db2.gz WGOBBKLVGIUTRU-CQSZACIVSA-N 0 0 376.507 2.391 20 30 GEEDRN CO[C@]1(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)CCS(=O)(=O)C1 ZINC000892538145 654350391 /nfs/dbraw/zinc/35/03/91/654350391.db2.gz ISXKWPGYOPNTOR-MEBBXXQBSA-N 0 0 384.866 2.330 20 30 GEEDRN COCCC1N=NC(=S)N1N=Cc1ccc(I)cc1 ZINC000834960565 654355870 /nfs/dbraw/zinc/35/58/70/654355870.db2.gz USQBZZARKGIFIL-UHFFFAOYSA-N 0 0 388.234 2.243 20 30 GEEDRN C#CC[C@@H](CO)NC(=O)NCc1cc(Br)ccc1Br ZINC000922052475 654361288 /nfs/dbraw/zinc/36/12/88/654361288.db2.gz NXQGCQSLYRVPDV-NSHDSACASA-N 0 0 390.075 2.395 20 30 GEEDRN N#Cc1c(Br)cccc1OCC(=O)OCCN1CCCCC1=O ZINC000835144601 654364997 /nfs/dbraw/zinc/36/49/97/654364997.db2.gz VHJOJWBMZDGYIM-UHFFFAOYSA-N 0 0 381.226 2.255 20 30 GEEDRN CC(C)(O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000872538278 654367340 /nfs/dbraw/zinc/36/73/40/654367340.db2.gz JNBSWLOMYSNQJR-GFCCVEGCSA-N 0 0 387.299 2.492 20 30 GEEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC)[C@@H]2CCCOC2)s1 ZINC000922132148 654370693 /nfs/dbraw/zinc/37/06/93/654370693.db2.gz SIBFCJHZNHOBHL-HIFRSBDPSA-N 0 0 386.539 2.076 20 30 GEEDRN O=C(N[C@H](CCO)C(F)(F)F)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000854619180 654370976 /nfs/dbraw/zinc/37/09/76/654370976.db2.gz MRWBUHMHCHYCPE-MRVPVSSYSA-N 0 0 378.244 2.404 20 30 GEEDRN CC(=O)N1CC[C@@H](COC(=O)COc2cccc(Br)c2C#N)C1 ZINC000835221270 654372081 /nfs/dbraw/zinc/37/20/81/654372081.db2.gz JRAGMAIOVXTJAT-GFCCVEGCSA-N 0 0 381.226 2.111 20 30 GEEDRN C[C@H](C#N)CN(C)CN1C(=O)C[C@]2(CCc3cc(Br)ccc32)C1=O ZINC000872568699 654372711 /nfs/dbraw/zinc/37/27/11/654372711.db2.gz KGVXYKRVFUJONX-XIKOKIGWSA-N 0 0 390.281 2.441 20 30 GEEDRN N#CCN1CCC(OC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000835232773 654373244 /nfs/dbraw/zinc/37/32/44/654373244.db2.gz WLEBYHPXRULZLW-UHFFFAOYSA-N 0 0 378.226 2.231 20 30 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CC(=NN1CCCC[C@H]1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000853379805 654293985 /nfs/dbraw/zinc/29/39/85/654293985.db2.gz KCYQZELNMILTNA-CYBMUJFWSA-N 0 0 387.527 2.011 20 30 GEEDRN COC(=O)c1cnc(CCNC(=O)CSCc2ccc(C#N)cc2)s1 ZINC000832817044 654298214 /nfs/dbraw/zinc/29/82/14/654298214.db2.gz MLXXFNZOTWCISI-UHFFFAOYSA-N 0 0 375.475 2.393 20 30 GEEDRN N#Cc1ncc(Br)cc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000853485690 654298753 /nfs/dbraw/zinc/29/87/53/654298753.db2.gz NMQPSXQBCPHNMX-MRVPVSSYSA-N 0 0 377.164 2.221 20 30 GEEDRN N#Cc1ccc(S(=O)(=O)NCC2CC3(C2)OCCO3)c(C(F)(F)F)c1 ZINC000921660672 654300574 /nfs/dbraw/zinc/30/05/74/654300574.db2.gz BQCGQEMOYUTZKY-UHFFFAOYSA-N 0 0 376.356 2.008 20 30 GEEDRN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC1CC2(C1)OCCO2 ZINC000921663315 654301367 /nfs/dbraw/zinc/30/13/67/654301367.db2.gz VDNUJNFCGVLGAU-UHFFFAOYSA-N 0 0 376.356 2.008 20 30 GEEDRN C#C[C@H](NC(=O)CC(=O)NCC(F)(F)F)c1ccc(Br)cc1 ZINC000833230773 654304096 /nfs/dbraw/zinc/30/40/96/654304096.db2.gz 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ZINC000804443521 654310885 /nfs/dbraw/zinc/31/08/85/654310885.db2.gz IFOZCMVIXBOKDC-STQMWFEESA-N 0 0 381.933 2.485 20 30 GEEDRN C=C[C@@H]1OCC[C@H]1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000834113993 654311284 /nfs/dbraw/zinc/31/12/84/654311284.db2.gz INUKOXLUIRATPT-RISCZKNCSA-N 0 0 384.230 2.253 20 30 GEEDRN CCOC(=O)c1ccc(CS(=O)(=O)N(C)[C@@H](C#N)C2(SC)CC2)cc1 ZINC000872009756 654311738 /nfs/dbraw/zinc/31/17/38/654311738.db2.gz UKKZGWFDCBLYGS-HNNXBMFYSA-N 0 0 382.507 2.413 20 30 GEEDRN CSC1([C@@H](C#N)N(C)S(=O)(=O)c2cnn(-c3ccccc3F)c2)CC1 ZINC000872010024 654311873 /nfs/dbraw/zinc/31/18/73/654311873.db2.gz ZCZOUKAJKVVUDI-OAHLLOKOSA-N 0 0 380.470 2.420 20 30 GEEDRN COC(=O)CCN1CCC[C@H](ON=Cc2ccc(Br)cc2)C1=O ZINC000853644652 654312820 /nfs/dbraw/zinc/31/28/20/654312820.db2.gz VEOJBWWTXSGWHJ-AWEZNQCLSA-N 0 0 383.242 2.354 20 30 GEEDRN COc1ncc(C(=O)Nc2ncc3c(c2C#N)COCC3)cc1Br ZINC000891898967 654317132 /nfs/dbraw/zinc/31/71/32/654317132.db2.gz ICBIRPQYGVZHHB-UHFFFAOYSA-N 0 0 389.209 2.444 20 30 GEEDRN C=CCC1(NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCCC1 ZINC000853725327 654318001 /nfs/dbraw/zinc/31/80/01/654318001.db2.gz BBBHSWDLVQKBTB-UHFFFAOYSA-N 0 0 379.473 2.439 20 30 GEEDRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2csc(C#N)c2)[C@H]2C[C@H]21 ZINC000921748465 654318074 /nfs/dbraw/zinc/31/80/74/654318074.db2.gz ILKYLNAAXILWFX-KGLIPLIRSA-N 0 0 383.495 2.143 20 30 GEEDRN C=CCC1(O)CCN(C(=O)C(=O)Nc2c(F)cccc2Br)CC1 ZINC000891985638 654322009 /nfs/dbraw/zinc/32/20/09/654322009.db2.gz IIRNZACADWHFHQ-UHFFFAOYSA-N 0 0 385.233 2.456 20 30 GEEDRN N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC(CO)(C(F)(F)F)CC1 ZINC000921781063 654322172 /nfs/dbraw/zinc/32/21/72/654322172.db2.gz VHQASAHFQPRPRI-UHFFFAOYSA-N 0 0 380.363 2.164 20 30 GEEDRN Cc1cc(C(=O)NCC(=O)NCC#N)c(C)n1-c1ccc(Br)cc1 ZINC000804820442 654322192 /nfs/dbraw/zinc/32/21/92/654322192.db2.gz HZUXMNSMUYCPOL-UHFFFAOYSA-N 0 0 389.253 2.226 20 30 GEEDRN C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000891992237 654322451 /nfs/dbraw/zinc/32/24/51/654322451.db2.gz DJXFXRRSIYRAPI-UHFFFAOYSA-N 0 0 392.253 2.189 20 30 GEEDRN O=S(=O)(NN=C1CCCC2(C1)OCCO2)c1ccc(Br)cc1 ZINC000872326808 654322678 /nfs/dbraw/zinc/32/26/78/654322678.db2.gz YTLQEBVTAZDGMK-UHFFFAOYSA-N 0 0 389.271 2.401 20 30 GEEDRN C[C@]1(Cc2cc(Cl)cs2)CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000921816741 654326887 /nfs/dbraw/zinc/32/68/87/654326887.db2.gz HLGJDNDFYUTVIK-UKRRQHHQSA-N 0 0 389.930 2.268 20 30 GEEDRN COc1ccc(Br)c(CNN=Cc2cn(C[C@H]3CCCO3)nn2)c1 ZINC000872368026 654327180 /nfs/dbraw/zinc/32/71/80/654327180.db2.gz BCBUCLNRUUCNMW-OAHLLOKOSA-N 0 0 394.273 2.352 20 30 GEEDRN O=S(=O)(NC1CC1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000921825459 654327684 /nfs/dbraw/zinc/32/76/84/654327684.db2.gz DTLZEQFSTQTJEO-KNVOCYPGSA-N 0 0 388.280 2.086 20 30 GEEDRN Cc1nc2ccc(Br)cc2c(=O)n1N=CC1CC2(C1)OCCO2 ZINC000872383630 654328614 /nfs/dbraw/zinc/32/86/14/654328614.db2.gz GXBAPMKHLOMTAB-UHFFFAOYSA-N 0 0 378.226 2.454 20 30 GEEDRN N#Cc1ccc(Br)c(NN=Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC000872387827 654328897 /nfs/dbraw/zinc/32/88/97/654328897.db2.gz GEMFXZBKPDKKNM-LBPRGKRZSA-N 0 0 375.230 2.395 20 30 GEEDRN C=C(Br)CNC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 ZINC000805000899 654332683 /nfs/dbraw/zinc/33/26/83/654332683.db2.gz BCBCRCBSNTZCNG-BDAKNGLRSA-N 0 0 390.307 2.271 20 30 GEEDRN C=C(Br)CNC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 ZINC000805000903 654333058 /nfs/dbraw/zinc/33/30/58/654333058.db2.gz BCBCRCBSNTZCNG-RKDXNWHRSA-N 0 0 390.307 2.271 20 30 GEEDRN C=CCS(=O)(=O)CCNC(=O)N[C@@H](C(C)C)[C@H](O)c1ccc(Cl)cc1 ZINC000853979876 654334707 /nfs/dbraw/zinc/33/47/07/654334707.db2.gz YSIKIFHWEUOXLJ-JKSUJKDBSA-N 0 0 388.917 2.298 20 30 GEEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)NCCC2SCCS2)C1 ZINC000853990878 654335430 /nfs/dbraw/zinc/33/54/30/654335430.db2.gz WYKRGVJFGLTDOE-VXGBXAGGSA-N 0 0 386.543 2.241 20 30 GEEDRN N#Cc1nc(NC(=O)c2cncc(N3CCOCC3)c2)ccc1Br ZINC000892256036 654336981 /nfs/dbraw/zinc/33/69/81/654336981.db2.gz BSUUVNKLCUSBDC-UHFFFAOYSA-N 0 0 388.225 2.200 20 30 GEEDRN COCCN(CCC#N)S(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872446913 654338660 /nfs/dbraw/zinc/33/86/60/654338660.db2.gz VLIWKFSXZFWSHR-UHFFFAOYSA-N 0 0 385.873 2.166 20 30 GEEDRN Cn1nc(C2CC2)cc1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000921898069 654339530 /nfs/dbraw/zinc/33/95/30/654339530.db2.gz BNSUQFHMDLKHNQ-UHFFFAOYSA-N 0 0 395.282 2.410 20 30 GEEDRN Cc1ccc(OS(=O)(=O)c2ccc(C#N)o2)c(I)n1 ZINC000805049288 654341080 /nfs/dbraw/zinc/34/10/80/654341080.db2.gz UHQYECNDOQRJLC-UHFFFAOYSA-N 0 0 390.158 2.227 20 30 GEEDRN C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1snnc1C ZINC000905248419 654343860 /nfs/dbraw/zinc/34/38/60/654343860.db2.gz MTMFSMVRORJWDW-UHFFFAOYSA-N 0 0 375.479 2.189 20 30 GEEDRN C#CCCN(CCOC)C(=O)NCc1cc(OC)c(O)cc1Br ZINC000854206336 654344629 /nfs/dbraw/zinc/34/46/29/654344629.db2.gz ONTWRBYXPCQEAW-UHFFFAOYSA-N 0 0 385.258 2.345 20 30 GEEDRN CC(C)C#CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000854202588 654344640 /nfs/dbraw/zinc/34/46/40/654344640.db2.gz IUOQFEPGNOWHCJ-UHFFFAOYSA-N 0 0 389.304 2.486 20 30 GEEDRN C#C[C@@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)c1ccc(Cl)cc1F ZINC000805072555 654345817 /nfs/dbraw/zinc/34/58/17/654345817.db2.gz QUYCBMZPGFQDDV-CQSZACIVSA-N 0 0 389.880 2.171 20 30 GEEDRN C#CCCCS(=O)(=O)NCc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000805077470 654346357 /nfs/dbraw/zinc/34/63/57/654346357.db2.gz YCCBGRACFIDKGG-UHFFFAOYSA-N 0 0 378.475 2.430 20 30 GEEDRN N#C[C@H](C(=O)COCCc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000892457679 654347041 /nfs/dbraw/zinc/34/70/41/654347041.db2.gz LQIVMPWQGGTMEB-OAHLLOKOSA-N 0 0 379.254 2.339 20 30 GEEDRN CC(C)CN(C(=O)CON=Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000854287346 654347776 /nfs/dbraw/zinc/34/77/76/654347776.db2.gz XENZYNWQJDWCSB-INIZCTEOSA-N 0 0 386.901 2.362 20 30 GEEDRN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)Cc2c(Br)cnn2C)c1 ZINC000892494313 654348349 /nfs/dbraw/zinc/34/83/49/654348349.db2.gz CFNWZVCAAYPNBE-LBPRGKRZSA-N 0 0 375.226 2.381 20 30 GEEDRN Cc1ccc(S(=O)(=O)NCC2CCN(CC(F)(F)F)CC2)c(C#N)c1 ZINC000872474889 654349436 /nfs/dbraw/zinc/34/94/36/654349436.db2.gz HWVPPOKHBQXTHI-UHFFFAOYSA-N 0 0 375.416 2.419 20 30 GEEDRN CCN1C(=O)[C@H]2CN(c3c(Br)ccc(C)c3C#N)CCN2C1=O ZINC000872474830 654349524 /nfs/dbraw/zinc/34/95/24/654349524.db2.gz HZBPKYZLWODIAK-CYBMUJFWSA-N 0 0 377.242 2.102 20 30 GEEDRN CC[C@@H]1C(=O)NCCCN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000922012988 654354846 /nfs/dbraw/zinc/35/48/46/654354846.db2.gz NBXATPPZWNVPKW-CQSZACIVSA-N 0 0 377.491 2.371 20 30 GEEDRN CNC(=O)[C@H](C)Oc1ccc(Br)cc1C=NNc1nccn1C ZINC000834976799 654356423 /nfs/dbraw/zinc/35/64/23/654356423.db2.gz OKILKPXEGGPOGC-JTQLQIEISA-N 0 0 380.246 2.142 20 30 GEEDRN Cc1nc(CN=Nc2nccc(N3CCOCC3)n2)sc1Br ZINC000905454793 654358831 /nfs/dbraw/zinc/35/88/31/654358831.db2.gz PXFFWFANNCIORU-UHFFFAOYSA-N 0 0 383.275 2.287 20 30 GEEDRN C#CCC1(NS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)CCC1 ZINC000922048204 654359701 /nfs/dbraw/zinc/35/97/01/654359701.db2.gz VIHVHZHALMMAOE-UHFFFAOYSA-N 0 0 388.486 2.200 20 30 GEEDRN COCCCNC(=O)[C@@H](C#N)C(=O)CCc1cccc(F)c1Br ZINC000835058050 654360058 /nfs/dbraw/zinc/36/00/58/654360058.db2.gz WZNYXFPORJPHJJ-LBPRGKRZSA-N 0 0 385.233 2.382 20 30 GEEDRN CN(C)C[C@@](C)(C#N)NC(=O)c1cnn(Cc2ccccc2)c1Br ZINC000905494502 654360921 /nfs/dbraw/zinc/36/09/21/654360921.db2.gz CXTNIZQSXOOYBB-QGZVFWFLSA-N 0 0 390.285 2.268 20 30 GEEDRN Cc1cc(Br)c(N2CCN(c3nccn(C)c3=O)CC2)c(C#N)c1 ZINC000892751793 654362449 /nfs/dbraw/zinc/36/24/49/654362449.db2.gz QTAXAGAUTISCBA-UHFFFAOYSA-N 0 0 388.269 2.050 20 30 GEEDRN C[C@]1(C#N)CN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CCO1 ZINC000892764458 654363302 /nfs/dbraw/zinc/36/33/02/654363302.db2.gz YDRYZJHNQNZVOO-PBHICJAKSA-N 0 0 393.285 2.352 20 30 GEEDRN CCN1C[C@H](COC(=O)COc2ccc(C#N)c(Br)c2)CC1=O ZINC000835173415 654368410 /nfs/dbraw/zinc/36/84/10/654368410.db2.gz XRWVJPARHWLLMJ-LLVKDONJSA-N 0 0 381.226 2.111 20 30 GEEDRN C=CC(C)(C)CCCNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000872545630 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CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1nnc(C)n1C ZINC000273125356 646305884 /nfs/dbraw/zinc/30/58/84/646305884.db2.gz FNKXXKCVIKWUBQ-UHFFFAOYSA-N 0 0 394.229 2.174 20 30 GEEDRN CN1CCN(C(=O)N[C@H]2CCOc3ccc(Br)cc32)C[C@@H]1C#N ZINC000274533823 646325091 /nfs/dbraw/zinc/32/50/91/646325091.db2.gz RJUQIOASKVMXKD-JSGCOSHPSA-N 0 0 379.258 2.122 20 30 GEEDRN CCCCNC(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000274716134 646329319 /nfs/dbraw/zinc/32/93/19/646329319.db2.gz ZPKMJHIACNDMTJ-ZDUSSCGKSA-N 0 0 387.914 2.192 20 30 GEEDRN C#CCCN1CCN(C(=O)c2scc(C)c2I)CC1 ZINC000276242282 646370695 /nfs/dbraw/zinc/37/06/95/646370695.db2.gz QKOKOOKLFDYMHT-UHFFFAOYSA-N 0 0 388.274 2.442 20 30 GEEDRN COC(=O)NCCc1ccc(S(=O)(=O)N(CCC#N)CC(F)(F)F)s1 ZINC000277125400 646381105 /nfs/dbraw/zinc/38/11/05/646381105.db2.gz ZHGFNRMVRLHMNC-UHFFFAOYSA-N 0 0 399.416 2.113 20 30 GEEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](CC)C(=O)OC)nc1C ZINC000277296772 646399237 /nfs/dbraw/zinc/39/92/37/646399237.db2.gz RNGCYGWQXULPGK-VIFPVBQESA-N 0 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LTMLWLOTADJPKY-UHFFFAOYSA-N 0 0 387.173 2.454 20 30 GEEDRN C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[S@@]1=O ZINC000281072777 646743341 /nfs/dbraw/zinc/74/33/41/646743341.db2.gz AWELKDBAGRBAPW-WYVULQQZSA-N 0 0 380.413 2.109 20 30 GEEDRN CCN(CCC#N)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000281175607 646751450 /nfs/dbraw/zinc/75/14/50/646751450.db2.gz QOUYFCWLDJJDNS-UHFFFAOYSA-N 0 0 383.202 2.366 20 30 GEEDRN C#C[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(C)C ZINC000281225270 646755689 /nfs/dbraw/zinc/75/56/89/646755689.db2.gz BVEUIIWXIOQBRP-ZDUSSCGKSA-N 0 0 387.299 2.087 20 30 GEEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)nc1Br ZINC000281341245 646762812 /nfs/dbraw/zinc/76/28/12/646762812.db2.gz DDLQLDUYMYZXKL-AAEUAGOBSA-N 0 0 382.258 2.188 20 30 GEEDRN CC[C@H](CC#N)NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000281369151 646765383 /nfs/dbraw/zinc/76/53/83/646765383.db2.gz QRTOSMXRCRBPMB-LLVKDONJSA-N 0 0 382.262 2.494 20 30 GEEDRN C#C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br)C(C)C ZINC000281507460 646776655 /nfs/dbraw/zinc/77/66/55/646776655.db2.gz KVDYBMWUHQEBFY-LLVKDONJSA-N 0 0 382.214 2.378 20 30 GEEDRN N#CC1(NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCCCC1 ZINC000281578535 646784204 /nfs/dbraw/zinc/78/42/04/646784204.db2.gz MTSYFFZDBNXNIT-UHFFFAOYSA-N 0 0 386.271 2.053 20 30 GEEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000281725534 646792691 /nfs/dbraw/zinc/79/26/91/646792691.db2.gz JOOIAUPUWSVHKI-IAQYHMDHSA-N 0 0 397.269 2.494 20 30 GEEDRN C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000281749419 646795567 /nfs/dbraw/zinc/79/55/67/646795567.db2.gz INPARZMEVNTDHI-GHMZBOCLSA-N 0 0 383.861 2.377 20 30 GEEDRN C#C[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000282022529 646810891 /nfs/dbraw/zinc/81/08/91/646810891.db2.gz LEZTULOHPYWJBS-DLBZAZTESA-N 0 0 382.551 2.169 20 30 GEEDRN C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000282266776 646821728 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383.280 2.187 20 30 GEEDRN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C=NN[C@H]1CCOC1(C)C ZINC000835020283 654356835 /nfs/dbraw/zinc/35/68/35/654356835.db2.gz FXIGQYBOOKXDPD-ABAIWWIYSA-N 0 0 398.301 2.453 20 30 GEEDRN CS(=O)(=O)c1ccc(NN=Cc2c(Br)nc3n2CCOC3)cc1 ZINC000905435881 654357541 /nfs/dbraw/zinc/35/75/41/654357541.db2.gz HWQCWCKYSSHMJX-UHFFFAOYSA-N 0 0 399.270 2.025 20 30 GEEDRN CS(=O)(=O)c1cccc(NN=Cc2c(Br)nc3n2CCOC3)c1 ZINC000905458281 654358713 /nfs/dbraw/zinc/35/87/13/654358713.db2.gz DVECTTPWSSELLJ-UHFFFAOYSA-N 0 0 399.270 2.025 20 30 GEEDRN C#CCC1(NS(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)CCC1 ZINC000922046223 654359333 /nfs/dbraw/zinc/35/93/33/654359333.db2.gz OEVWOGXVMFYNPP-UHFFFAOYSA-N 0 0 384.885 2.275 20 30 GEEDRN C#CC[C@H](CO)NC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000854547690 654366738 /nfs/dbraw/zinc/36/67/38/654366738.db2.gz YIHMFZFDKFHWMD-CYBMUJFWSA-N 0 0 393.237 2.439 20 30 GEEDRN N#Cc1c(Br)cccc1OCC(=O)N[C@H](CCO)C(F)(F)F ZINC000854614249 654370735 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C#CCSCCOC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000835439309 654390312 /nfs/dbraw/zinc/39/03/12/654390312.db2.gz RWLRENBXENASSC-QGZVFWFLSA-N 0 0 381.519 2.138 20 30 GEEDRN C#CCSCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000835439225 654390324 /nfs/dbraw/zinc/39/03/24/654390324.db2.gz YEXKDJWLCOFGLR-LLVKDONJSA-N 0 0 395.424 2.282 20 30 GEEDRN C#CCSCCOC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000835441714 654390635 /nfs/dbraw/zinc/39/06/35/654390635.db2.gz QFQHHNNPQMALMD-UHFFFAOYSA-N 0 0 385.482 2.136 20 30 GEEDRN N#CC1(C[C@H](O)Cn2nnc(Cc3ccccc3Br)n2)CCC1 ZINC000905953127 654394056 /nfs/dbraw/zinc/39/40/56/654394056.db2.gz WJJMZOXAFQMMAU-ZDUSSCGKSA-N 0 0 376.258 2.471 20 30 GEEDRN N#CC1(C[C@@H](O)Cn2nnnc2Cc2ccc(Br)cc2)CCC1 ZINC000905953248 654394218 /nfs/dbraw/zinc/39/42/18/654394218.db2.gz YFAGYKYXEHARRC-CQSZACIVSA-N 0 0 376.258 2.471 20 30 GEEDRN Cc1c(C#N)c(NC(=O)C[C@@H]2c3cccc(Br)c3NC2=O)nn1C ZINC000905968961 654395455 /nfs/dbraw/zinc/39/54/55/654395455.db2.gz 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392.257 2.286 20 30 GEEDRN C=C(Br)CNC(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000123631539 643674816 /nfs/dbraw/zinc/67/48/16/643674816.db2.gz QPJBMLWSWVAYHK-VXGBXAGGSA-N 0 0 375.288 2.491 20 30 GEEDRN C[C@H](N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1)C(F)(F)F ZINC000125983004 643717148 /nfs/dbraw/zinc/71/71/48/643717148.db2.gz DWDVRMQLZQNGCN-VIFPVBQESA-N 0 0 383.342 2.094 20 30 GEEDRN N#Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000125999322 643717713 /nfs/dbraw/zinc/71/77/13/643717713.db2.gz ZFPMJXNPJRXNGW-HOCLYGCPSA-N 0 0 378.475 2.133 20 30 GEEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126644722 643739428 /nfs/dbraw/zinc/73/94/28/643739428.db2.gz XHDMFGBUPNUVDJ-OAHLLOKOSA-N 0 0 381.885 2.281 20 30 GEEDRN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000540301484 650862641 /nfs/dbraw/zinc/86/26/41/650862641.db2.gz IFAGRERQGUCXAQ-CQDKDKBSSA-N 0 0 382.258 2.459 20 30 GEEDRN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000540301494 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654122299 /nfs/dbraw/zinc/12/22/99/654122299.db2.gz WVWYZWVLELTEOA-GFCCVEGCSA-N 0 0 384.552 2.405 20 30 GEEDRN C=CCn1c(SCC(=O)N2CCOC(C)(C)C2)nc2sccc2c1=O ZINC000901396259 654122969 /nfs/dbraw/zinc/12/29/69/654122969.db2.gz YCAPHXHBLAERBH-UHFFFAOYSA-N 0 0 379.507 2.374 20 30 GEEDRN CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2c[nH]nc2Cl)ccc1OC ZINC000830514620 654123542 /nfs/dbraw/zinc/12/35/42/654123542.db2.gz KIIOJGFSSPGUCQ-NSHDSACASA-N 0 0 384.845 2.231 20 30 GEEDRN CCCCCNC(=O)[C@H](C#N)C(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000917424463 654123681 /nfs/dbraw/zinc/12/36/81/654123681.db2.gz CTFDRXGESUEUOE-LLVKDONJSA-N 0 0 398.257 2.129 20 30 GEEDRN CO[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000800052646 654126063 /nfs/dbraw/zinc/12/60/63/654126063.db2.gz FJGYQAQAPRKDSC-SNVBAGLBSA-N 0 0 376.278 2.433 20 30 GEEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000800057915 654126580 /nfs/dbraw/zinc/12/65/80/654126580.db2.gz CIYXSECRDWRHOI-HZMBPMFUSA-N 0 0 380.297 2.343 20 30 GEEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000800057719 654126639 /nfs/dbraw/zinc/12/66/39/654126639.db2.gz BFABMGGTKBKWTQ-QMTHXVAHSA-N 0 0 380.297 2.343 20 30 GEEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000800058274 654126645 /nfs/dbraw/zinc/12/66/45/654126645.db2.gz QODMTXADCGXUOS-BXUZGUMPSA-N 0 0 379.404 2.055 20 30 GEEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)c2cc(C)n(C)n2)nc1C ZINC000917524782 654127127 /nfs/dbraw/zinc/12/71/27/654127127.db2.gz BAGSNZUMLGMYAD-UHFFFAOYSA-N 0 0 375.483 2.479 20 30 GEEDRN COc1ccc(Cl)cc1CN=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000917530845 654127146 /nfs/dbraw/zinc/12/71/46/654127146.db2.gz FQERJERINDHUHE-UHFFFAOYSA-N 0 0 384.801 2.350 20 30 GEEDRN C[C@H](NC(=O)COC(=O)[C@]1(C#N)CCCOC1)c1ccc(Br)cc1 ZINC000869911607 654130535 /nfs/dbraw/zinc/13/05/35/654130535.db2.gz ALSJSMGWXFVJGF-SJCJKPOMSA-N 0 0 395.253 2.490 20 30 GEEDRN N#C[C@]1(C(=O)OCC(=O)c2ccc(I)cc2)CCCOC1 ZINC000869912133 654130569 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C[C@@H](Cc1ccsc1)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000851144609 654132990 /nfs/dbraw/zinc/13/29/90/654132990.db2.gz IWEFXEDNIBFXKP-STQMWFEESA-N 0 0 378.475 2.461 20 30 GEEDRN C#CCCN(CCOC)S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000917746535 654133199 /nfs/dbraw/zinc/13/31/99/654133199.db2.gz OXZAGJLVGRTUFP-DEOSSOPVSA-N 0 0 398.428 2.250 20 30 GEEDRN C[C@H](CC(=O)OCC(=O)NC1(C#N)CCCCC1)n1cc(Br)cn1 ZINC000830671136 654134355 /nfs/dbraw/zinc/13/43/55/654134355.db2.gz WWTDYYOUUVGWMJ-GFCCVEGCSA-N 0 0 397.273 2.483 20 30 GEEDRN N#Cc1cccc(CS(=O)(=O)NC[C@H](O)c2cccc(Br)c2)c1 ZINC000800162476 654134424 /nfs/dbraw/zinc/13/44/24/654134424.db2.gz YDIRNJAUVBABTQ-INIZCTEOSA-N 0 0 395.278 2.474 20 30 GEEDRN CC(C)n1ncc(C(=O)OCc2ncc(C#N)cn2)c1I ZINC000869978948 654135693 /nfs/dbraw/zinc/13/56/93/654135693.db2.gz FXVCAXQNWNUFJY-UHFFFAOYSA-N 0 0 397.176 2.087 20 30 GEEDRN N#Cc1ccc(NCCNS(=O)(=O)c2ccccc2Br)nc1 ZINC000917879488 654136787 /nfs/dbraw/zinc/13/67/87/654136787.db2.gz 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654140492 /nfs/dbraw/zinc/14/04/92/654140492.db2.gz RPSOTWRENDRREE-JTQLQIEISA-N 0 0 377.622 2.354 20 30 GEEDRN C[C@@H](Sc1nncn1C)C(=O)OCC#Cc1ccc(Br)cn1 ZINC000851276412 654142270 /nfs/dbraw/zinc/14/22/70/654142270.db2.gz LKPLWXSLFAUABZ-SNVBAGLBSA-N 0 0 381.255 2.048 20 30 GEEDRN Cc1nc(C)c(CC(=O)OCC#Cc2ccc(Br)cn2)c(=O)[nH]1 ZINC000851276512 654142278 /nfs/dbraw/zinc/14/22/78/654142278.db2.gz OYJRSYIWRLCNBI-UHFFFAOYSA-N 0 0 376.210 2.094 20 30 GEEDRN C[C@H](NC(=O)COc1ccc(Br)c(C#N)c1)C(=O)N1CCCCC1 ZINC000901712453 654142680 /nfs/dbraw/zinc/14/26/80/654142680.db2.gz RUUDNOMIYKZSBJ-LBPRGKRZSA-N 0 0 394.269 2.217 20 30 GEEDRN CC1(C)[C@@H](NC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CS1(=O)=O ZINC000889429657 654142690 /nfs/dbraw/zinc/14/26/90/654142690.db2.gz WJZJYIHKOKHISW-RYUDHWBXSA-N 0 0 375.372 2.036 20 30 GEEDRN C#CCN1CCN(C(=O)C2(c3ccc(I)cc3)CC2)CC1 ZINC000800493058 654147071 /nfs/dbraw/zinc/14/70/71/654147071.db2.gz IGEYFQGHBOKBLQ-UHFFFAOYSA-N 0 0 394.256 2.100 20 30 GEEDRN N#Cc1ccc([C@H](O)C(=O)NC[C@H](O)c2cccc(Br)c2)cc1 ZINC000800587586 654151787 /nfs/dbraw/zinc/15/17/87/654151787.db2.gz WSVOBQWTJHBSMG-HOTGVXAUSA-N 0 0 375.222 2.204 20 30 GEEDRN N#Cc1ccc([C@@H](O)C(=O)NC[C@H](O)c2cccc(Br)c2)cc1 ZINC000800587587 654151866 /nfs/dbraw/zinc/15/18/66/654151866.db2.gz WSVOBQWTJHBSMG-JKSUJKDBSA-N 0 0 375.222 2.204 20 30 GEEDRN N#C[C@H](C(=O)NC1CC1)C(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000918486450 654152430 /nfs/dbraw/zinc/15/24/30/654152430.db2.gz HZCNPDLIAUJOJS-LBPRGKRZSA-N 0 0 379.869 2.241 20 30 GEEDRN C=C1CCC(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000831001548 654155451 /nfs/dbraw/zinc/15/54/51/654155451.db2.gz DUMLVJYWNLVBND-UHFFFAOYSA-N 0 0 383.539 2.228 20 30 GEEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)(C)S(C)(=O)=O ZINC000870270999 654156975 /nfs/dbraw/zinc/15/69/75/654156975.db2.gz DPEVJZOOUIHEHW-LLVKDONJSA-N 0 0 383.894 2.389 20 30 GEEDRN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 ZINC000800773445 654158128 /nfs/dbraw/zinc/15/81/28/654158128.db2.gz HEIVBXCVUWUQOO-UHFFFAOYSA-N 0 0 395.261 2.110 20 30 GEEDRN CNC(=O)CC1SC(=Nc2ccsc2)N(CCCOC(F)F)C1=O ZINC000800802622 654158576 /nfs/dbraw/zinc/15/85/76/654158576.db2.gz DGGNJHVNBDQAEL-JTQLQIEISA-N 0 0 377.438 2.445 20 30 GEEDRN C=C[C@](C)(CCOC)COC(=O)c1cc(I)nn1C ZINC000870307017 654160651 /nfs/dbraw/zinc/16/06/51/654160651.db2.gz VPHQKOPFIHEIGV-CYBMUJFWSA-N 0 0 378.210 2.410 20 30 GEEDRN C#CCN(C(=O)c1cc(Cl)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000918755191 654161334 /nfs/dbraw/zinc/16/13/34/654161334.db2.gz WLEJQDQQOIBPDB-ZDUSSCGKSA-N 0 0 385.869 2.010 20 30 GEEDRN N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ncc(Br)cn2)cc1 ZINC000889717648 654162594 /nfs/dbraw/zinc/16/25/94/654162594.db2.gz NUOPWOAYRAOCAL-HNNXBMFYSA-N 0 0 386.253 2.396 20 30 GEEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@]1(C)CCS(=O)(=O)C1 ZINC000870351787 654166029 /nfs/dbraw/zinc/16/60/29/654166029.db2.gz VOQKZSSOADTPPO-IAQYHMDHSA-N 0 0 381.878 2.143 20 30 GEEDRN N#Cc1ccc(CNc2ccn(CCN3CC[NH+]=C3[O-])n2)c(Br)c1 ZINC000902249633 654169650 /nfs/dbraw/zinc/16/96/50/654169650.db2.gz KUMMGGYCTFWKDN-UHFFFAOYSA-N 0 0 389.257 2.155 20 30 GEEDRN CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C#N)c(Cl)c2)cc1 ZINC000800965095 654173282 /nfs/dbraw/zinc/17/32/82/654173282.db2.gz CKVJWTXGJRROIR-UHFFFAOYSA-N 0 0 377.853 2.326 20 30 GEEDRN COC(=O)[C@@H](NS(=O)(=O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000919233836 654174035 /nfs/dbraw/zinc/17/40/35/654174035.db2.gz IPKSNLGNNAJFNQ-LBPRGKRZSA-N 0 0 378.372 2.389 20 30 GEEDRN C=C(Br)CNC(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000801002663 654174537 /nfs/dbraw/zinc/17/45/37/654174537.db2.gz CYLQBUIVQCVATE-HNNXBMFYSA-N 0 0 380.286 2.428 20 30 GEEDRN N#C[C@@]1(C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC12CCCC2 ZINC000889815659 654178872 /nfs/dbraw/zinc/17/88/72/654178872.db2.gz CIRXWKPJWOZLRR-SJKOYZFVSA-N 0 0 389.253 2.298 20 30 GEEDRN CN1CC[C@](C)(COC(=O)COc2cccc(Br)c2C#N)C1=O ZINC000870520022 654179912 /nfs/dbraw/zinc/17/99/12/654179912.db2.gz SIGDHXSQIQNIBH-MRXNPFEDSA-N 0 0 381.226 2.111 20 30 GEEDRN Cc1ccsc1-c1nn(CN2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(=S)o1 ZINC000902532670 654182199 /nfs/dbraw/zinc/18/21/99/654182199.db2.gz LUOYFCJZXKBIRQ-IAQYHMDHSA-N 0 0 396.519 2.070 20 30 GEEDRN CCN([C@H](C)C#N)S(=O)(=O)c1cc(C(=O)OC)ccc1Br ZINC000851823309 654183918 /nfs/dbraw/zinc/18/39/18/654183918.db2.gz HVVBKFYTUNXEKW-SECBINFHSA-N 0 0 375.244 2.158 20 30 GEEDRN C#C[C@@H](NS(=O)(=O)c1cc(Br)cc(OC)c1)C1CCOCC1 ZINC000851827044 654184826 /nfs/dbraw/zinc/18/48/26/654184826.db2.gz FQBNYZRBNUWZFA-OAHLLOKOSA-N 0 0 388.283 2.164 20 30 GEEDRN C#C[C@H](NS(=O)(=O)c1cccc(Br)c1F)C1CCOCC1 ZINC000851827574 654184858 /nfs/dbraw/zinc/18/48/58/654184858.db2.gz NCPXOLUGESVODM-LBPRGKRZSA-N 0 0 376.247 2.295 20 30 GEEDRN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCn1cc(Br)cn1 ZINC000919571410 654184867 /nfs/dbraw/zinc/18/48/67/654184867.db2.gz KKGFMDFWQZLODN-NHYWBVRUSA-N 0 0 385.262 2.022 20 30 GEEDRN N#Cc1cccc(NC(=O)COC(=O)CCn2cc(Br)cn2)c1 ZINC000919576739 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ZINC000561924700 651485493 /nfs/dbraw/zinc/48/54/93/651485493.db2.gz XEZVRUCVFCQGAL-KBXCAEBGSA-N 0 0 380.535 2.434 20 30 GEEDRN N#Cc1cccc(OCCOC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000726063318 651486004 /nfs/dbraw/zinc/48/60/04/651486004.db2.gz LUKOLEWYZPMGGT-UHFFFAOYSA-N 0 0 380.809 2.095 20 30 GEEDRN CN1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000562048550 651487014 /nfs/dbraw/zinc/48/70/14/651487014.db2.gz HSGQTENRTLEQOK-IAGOWNOFSA-N 0 0 376.869 2.330 20 30 GEEDRN N#Cc1cc(NC[C@@H](N2CCOCC2)C(F)(F)F)ncc1Br ZINC000603382980 651487760 /nfs/dbraw/zinc/48/77/60/651487760.db2.gz XECZDIIINUNPQM-LLVKDONJSA-N 0 0 379.180 2.391 20 30 GEEDRN S=C(NCCc1ccccn1)NN=Cc1ccc(N2CCOCC2)s1 ZINC000726425610 651491211 /nfs/dbraw/zinc/49/12/11/651491211.db2.gz YJZRLZIUZWMTGN-UHFFFAOYSA-N 0 0 375.523 2.020 20 30 GEEDRN CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000726427370 651491621 /nfs/dbraw/zinc/49/16/21/651491621.db2.gz KRWZQWGKFCWGES-LFYBBSHMSA-N 0 0 379.459 2.358 20 30 GEEDRN N#Cc1cccc(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)c1 ZINC000603498337 651497430 /nfs/dbraw/zinc/49/74/30/651497430.db2.gz TZOLEGAICVYESW-UHFFFAOYSA-N 0 0 394.250 2.238 20 30 GEEDRN Cc1cccc2c1NC(=O)C2=N[N-]c1[nH+]cnc2c1c(Br)nn2C ZINC000726741569 651501434 /nfs/dbraw/zinc/50/14/34/651501434.db2.gz PBCKXAWQJBEMGG-UHFFFAOYSA-N 0 0 386.213 2.203 20 30 GEEDRN N#C[C@]1(NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CCSC1 ZINC000603887097 651501564 /nfs/dbraw/zinc/50/15/64/651501564.db2.gz XKKGCXGMEVDSJB-MEDUHNTESA-N 0 0 394.294 2.317 20 30 GEEDRN COc1ccc(Cl)cc1N1C[C@H](C(=O)N[C@@]2(C#N)CCSC2)CC1=O ZINC000603887314 651501572 /nfs/dbraw/zinc/50/15/72/651501572.db2.gz UQCOHPJFXHJWTP-PIGZYNQJSA-N 0 0 379.869 2.217 20 30 GEEDRN C[C@]1(c2ccc(Br)cc2)CC(=O)N(CN(CC#N)C2CC2)C1=O ZINC000726784211 651502589 /nfs/dbraw/zinc/50/25/89/651502589.db2.gz GFTVVAMBIJRYGH-QGZVFWFLSA-N 0 0 376.254 2.411 20 30 GEEDRN COc1cc(C#N)ccc1Oc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000603916095 651503272 /nfs/dbraw/zinc/50/32/72/651503272.db2.gz UANVSBFWSZDKBS-UHFFFAOYSA-N 0 0 381.431 2.166 20 30 GEEDRN N#Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nccs2)ccc1Cl ZINC000604125768 651509242 /nfs/dbraw/zinc/50/92/42/651509242.db2.gz ZBVCQXWOWQECDC-ZDUSSCGKSA-N 0 0 396.881 2.460 20 30 GEEDRN Cc1cc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)n(CCC#N)n1 ZINC000604528605 651516128 /nfs/dbraw/zinc/51/61/28/651516128.db2.gz WUEKLGACTCBGMV-UHFFFAOYSA-N 0 0 386.886 2.374 20 30 GEEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)C2CC2)c1 ZINC000727357903 651519198 /nfs/dbraw/zinc/51/91/98/651519198.db2.gz VBMVRGAEOMHFAR-VLGSPTGOSA-N 0 0 385.511 2.184 20 30 GEEDRN C#CCCN1CCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)CC1 ZINC000727455908 651522040 /nfs/dbraw/zinc/52/20/40/651522040.db2.gz OKSOYZPSOREQFN-ZSOIEALJSA-N 0 0 383.311 2.391 20 30 GEEDRN C#CCNC(=O)[C@@H](C)OC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000728381365 651543128 /nfs/dbraw/zinc/54/31/28/651543128.db2.gz UXDKVLZMJUSKFH-SECBINFHSA-N 0 0 381.219 2.177 20 30 GEEDRN COCCCNC(=S)NN=Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000728428146 651543813 /nfs/dbraw/zinc/54/38/13/651543813.db2.gz PWLUCYQTZVDTTO-UHFFFAOYSA-N 0 0 378.479 2.373 20 30 GEEDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccn(CCC#N)n1 ZINC000563825065 651544089 /nfs/dbraw/zinc/54/40/89/651544089.db2.gz FFJOLKUHNFWKMI-UHFFFAOYSA-N 0 0 378.186 3.028 20 30 GEEDRN C#CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729335508 651566831 /nfs/dbraw/zinc/56/68/31/651566831.db2.gz QFFJIFHLDOQDBA-HRCADAONSA-N 0 0 396.306 2.202 20 30 GEEDRN C#CCN(C(=O)/C=C/c1ccc(C)cc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000729332542 651566923 /nfs/dbraw/zinc/56/69/23/651566923.db2.gz ZVWMIYRNSCABPE-LQYUOIDQSA-N 0 0 396.306 2.420 20 30 GEEDRN C=CCOCC(=O)O[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000729765710 651578931 /nfs/dbraw/zinc/57/89/31/651578931.db2.gz PYCDNRVLZBMCAY-SNVBAGLBSA-N 0 0 389.189 2.364 20 30 GEEDRN C=CCNC(=O)[C@@H](C)OC(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 ZINC000729812830 651580250 /nfs/dbraw/zinc/58/02/50/651580250.db2.gz MBCNKSXGZCTCDZ-IAQYHMDHSA-N 0 0 397.269 2.250 20 30 GEEDRN N#Cc1ccc(S(=O)(=O)N2CCO[C@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000564909632 651584768 /nfs/dbraw/zinc/58/47/68/651584768.db2.gz BSKAILRSZVUZJU-CQSZACIVSA-N 0 0 392.424 2.474 20 30 GEEDRN N#Cc1cc(F)ccc1COC(=O)CSc1nnnn1CC(F)(F)F ZINC000730050346 651588942 /nfs/dbraw/zinc/58/89/42/651588942.db2.gz ZIMBCQMQSTXNGG-UHFFFAOYSA-N 0 0 375.307 2.082 20 30 GEEDRN C#CCN1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000730283810 651594147 /nfs/dbraw/zinc/59/41/47/651594147.db2.gz HFEVAOFVUILHEL-DLBZAZTESA-N 0 0 377.282 2.447 20 30 GEEDRN C=CCNC(=O)[C@H](C)OC(=O)c1ccn(-c2cccc(Br)c2)n1 ZINC000730341424 651598110 /nfs/dbraw/zinc/59/81/10/651598110.db2.gz YJNKHDXEOYBAIQ-NSHDSACASA-N 0 0 378.226 2.482 20 30 GEEDRN N#CCN1CCC(NS(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000730573528 651603304 /nfs/dbraw/zinc/60/33/04/651603304.db2.gz MDMPZRRWWOYFHF-WDZFZDKYSA-N 0 0 384.299 2.327 20 30 GEEDRN N#CCN1CCC(NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000609329608 651616205 /nfs/dbraw/zinc/61/62/05/651616205.db2.gz AVUUFQDNSXXNEJ-UHFFFAOYSA-N 0 0 388.269 2.353 20 30 GEEDRN N#CCN1CCC(NC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000609336211 651616730 /nfs/dbraw/zinc/61/67/30/651616730.db2.gz SISSRCIKKPXQRU-UHFFFAOYSA-N 0 0 381.274 2.115 20 30 GEEDRN N#Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000609419591 651618881 /nfs/dbraw/zinc/61/88/81/651618881.db2.gz SHUMPJCMLXMPEH-CYBMUJFWSA-N 0 0 375.837 2.295 20 30 GEEDRN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)NCC#N ZINC000731236019 651622053 /nfs/dbraw/zinc/62/20/53/651622053.db2.gz OAGUNGLWGTYYGP-UHFFFAOYSA-N 0 0 381.219 2.343 20 30 GEEDRN N#C[C@@H](NC(=O)c1ccc(-n2ccnc2)nn1)c1ccc(Br)cc1 ZINC000609589050 651624968 /nfs/dbraw/zinc/62/49/68/651624968.db2.gz KURWDWIMZBFYLA-CQSZACIVSA-N 0 0 383.209 2.419 20 30 GEEDRN C[C@@H](C#N)CN(C)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000609848313 651633552 /nfs/dbraw/zinc/63/35/52/651633552.db2.gz ZZORPAORAOYZMK-JTQLQIEISA-N 0 0 378.376 2.151 20 30 GEEDRN C=CC[C@H](CO)CNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000645639257 651633620 /nfs/dbraw/zinc/63/36/20/651633620.db2.gz GTKPFWHWASPWSO-NSHDSACASA-N 0 0 387.299 2.404 20 30 GEEDRN CSc1nc(C2CC2)cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1C#N ZINC000609888889 651634930 /nfs/dbraw/zinc/63/49/30/651634930.db2.gz UBJARZLAVARMKM-WDEREUQCSA-N 0 0 379.507 2.200 20 30 GEEDRN Cc1nc(SCC(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(C#N)c(C)c1C ZINC000609888837 651634991 /nfs/dbraw/zinc/63/49/91/651634991.db2.gz PWOURCYFEIORSF-KGLIPLIRSA-N 0 0 381.523 2.005 20 30 GEEDRN O=C(COc1cc(Cl)ccc1Cl)NCCNC(=O)C1N=CC=CC1=O ZINC000731861712 651636429 /nfs/dbraw/zinc/63/64/29/651636429.db2.gz KYVOXWCAJFSFPF-NXVVXOECSA-N 0 0 384.219 2.015 20 30 GEEDRN C#Cc1cccc(NC(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)c1 ZINC000731894515 651637331 /nfs/dbraw/zinc/63/73/31/651637331.db2.gz VVXZREQBFMCLSS-LBPRGKRZSA-N 0 0 377.853 2.412 20 30 GEEDRN CNC(=O)CNC(=S)NN=Cc1sc(Nc2ccc(C)cc2)nc1Cl ZINC000731926766 651638966 /nfs/dbraw/zinc/63/89/66/651638966.db2.gz DRUUVNRZQDMHLF-UHFFFAOYSA-N 0 0 396.929 2.393 20 30 GEEDRN CNC(=O)CNC(=S)NN=Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000731927413 651639156 /nfs/dbraw/zinc/63/91/56/651639156.db2.gz HKMAMISNRMHJNP-UHFFFAOYSA-N 0 0 399.307 2.032 20 30 GEEDRN C#Cc1cccc(N(C)C(=O)c2cc(S(N)(=O)=O)c(Br)s2)c1 ZINC000732071369 651643770 /nfs/dbraw/zinc/64/37/70/651643770.db2.gz LDQBAWNFRVXTHF-UHFFFAOYSA-N 0 0 399.291 2.416 20 30 GEEDRN C[C@H](Sc1ccc(C#N)cc1F)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000610164655 651648287 /nfs/dbraw/zinc/64/82/87/651648287.db2.gz MMSADSUMRGDFTF-JTQLQIEISA-N 0 0 379.438 2.464 20 30 GEEDRN COCCN(CCC#N)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000610486100 651664788 /nfs/dbraw/zinc/66/47/88/651664788.db2.gz PTOXGLQOWAECQR-ZDUSSCGKSA-N 0 0 394.269 2.191 20 30 GEEDRN CC#CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000645884595 651665807 /nfs/dbraw/zinc/66/58/07/651665807.db2.gz KNJDDWACIIFTNA-LLVKDONJSA-N 0 0 396.292 2.071 20 30 GEEDRN CC#CC[C@H](CO)NS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000645883950 651665874 /nfs/dbraw/zinc/66/58/74/651665874.db2.gz PKBLWMVVKDJFIV-GFCCVEGCSA-N 0 0 380.691 2.296 20 30 GEEDRN N#C[C@H]1CN(S(=O)(=O)/C=C\c2cccc(Br)c2)CCN1C1CC1 ZINC000732669276 651670278 /nfs/dbraw/zinc/67/02/78/651670278.db2.gz LRDWNWIZOCRGTJ-HWYHOQROSA-N 0 0 396.310 2.422 20 30 GEEDRN N#C[C@@H]1CN(Cn2ccc(=O)c3cccc(Br)c32)CCN1C1CC1 ZINC000732673022 651670968 /nfs/dbraw/zinc/67/09/68/651670968.db2.gz SDYCXMLCOKSEGW-CQSZACIVSA-N 0 0 387.281 2.394 20 30 GEEDRN C[C@@H](Oc1ccccc1Br)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732742187 651672208 /nfs/dbraw/zinc/67/22/08/651672208.db2.gz ZOXGNEANGPOEIY-TZMCWYRMSA-N 0 0 378.270 2.415 20 30 GEEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CCOC[C@@H]2C(F)(F)F)c1 ZINC000610657699 651675788 /nfs/dbraw/zinc/67/57/88/651675788.db2.gz OMPJDSDLUSJKAP-LLVKDONJSA-N 0 0 399.188 2.273 20 30 GEEDRN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc(C#N)c1 ZINC000610760045 651683100 /nfs/dbraw/zinc/68/31/00/651683100.db2.gz PZPVECSDUBARPX-NSHDSACASA-N 0 0 382.438 2.140 20 30 GEEDRN CCN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H](C)CS(C)(=O)=O ZINC000732985980 651683687 /nfs/dbraw/zinc/68/36/87/651683687.db2.gz XQHKBKIHNCIMQB-OLZOCXBDSA-N 0 0 379.507 2.228 20 30 GEEDRN C=CCSc1ccccc1NC(=O)COC(=O)C1CCS(=O)(=O)CC1 ZINC000733026691 651686826 /nfs/dbraw/zinc/68/68/26/651686826.db2.gz WSSIGHKVYHPIAR-UHFFFAOYSA-N 0 0 383.491 2.271 20 30 GEEDRN C#CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733116123 651690191 /nfs/dbraw/zinc/69/01/91/651690191.db2.gz ZFXLCLJXXTXBPW-SWLSCSKDSA-N 0 0 391.265 2.213 20 30 GEEDRN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000610869998 651691387 /nfs/dbraw/zinc/69/13/87/651691387.db2.gz SCUAIVRMTNCXAR-UFBFGSQYSA-N 0 0 375.734 2.328 20 30 GEEDRN COc1ccc(-c2nc3c(s2)C(=NNCCS(C)(=O)=O)CCC3)cc1 ZINC000733205600 651693804 /nfs/dbraw/zinc/69/38/04/651693804.db2.gz BQPFLOTXWPLHKH-UHFFFAOYSA-N 0 0 379.507 2.493 20 30 GEEDRN 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Cc1ccc(Cl)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000126302496 643727388 /nfs/dbraw/zinc/72/73/88/643727388.db2.gz ILADHXAOOUSZRC-UHFFFAOYSA-N 0 0 376.869 2.426 20 30 GEEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126644949 643739411 /nfs/dbraw/zinc/73/94/11/643739411.db2.gz XHDMFGBUPNUVDJ-HNNXBMFYSA-N 0 0 381.885 2.281 20 30 GEEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000127005017 643754043 /nfs/dbraw/zinc/75/40/43/643754043.db2.gz XVLNWOQVBIIBGE-HNNXBMFYSA-N 0 0 381.885 2.424 20 30 GEEDRN N#Cc1ccc(S(=O)(=O)N[C@H](CO)c2cccc(Br)c2)cc1 ZINC000127135129 643758649 /nfs/dbraw/zinc/75/86/49/643758649.db2.gz NDQQVRQMJYTVKO-OAHLLOKOSA-N 0 0 381.251 2.333 20 30 GEEDRN N#CCN1CCN(C(=O)c2cc(I)ccc2Cl)CC1 ZINC000127311904 643769547 /nfs/dbraw/zinc/76/95/47/643769547.db2.gz UZYRDDDUGATAGV-UHFFFAOYSA-N 0 0 389.624 2.226 20 30 GEEDRN CS(=O)(=O)NCCc1ccc(C(=O)COc2ccc(C#N)cc2F)s1 ZINC000127575934 643779153 /nfs/dbraw/zinc/77/91/53/643779153.db2.gz 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N#C[C@@]12CN(c3ccnc4c(Br)cccc34)C[C@@H]1CS(=O)(=O)C2 ZINC000896404635 653878720 /nfs/dbraw/zinc/87/87/20/653878720.db2.gz NOISOIVFBLOQRL-BZNIZROVSA-N 0 0 392.278 2.372 20 30 GEEDRN C#CCN(C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000793492227 653879295 /nfs/dbraw/zinc/87/92/95/653879295.db2.gz AHXBONHCLWOFIY-XIRDDKMYSA-N 0 0 380.897 2.418 20 30 GEEDRN N#CCC(=O)N1CCN(c2ncncc2-c2ccc(Br)cc2)CC1 ZINC000884547774 653880387 /nfs/dbraw/zinc/88/03/87/653880387.db2.gz URXKFWPKUNPQRB-UHFFFAOYSA-N 0 0 386.253 2.468 20 30 GEEDRN C#CCCN(CC(F)(F)F)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867117330 653881476 /nfs/dbraw/zinc/88/14/76/653881476.db2.gz RPQGPQWTRRCKFR-QHCPKHFHSA-N 0 0 386.392 2.415 20 30 GEEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)c2ncccc2Br)C1 ZINC000793819937 653885580 /nfs/dbraw/zinc/88/55/80/653885580.db2.gz LHCGLGBMZKAAMP-ZYHUDNBSSA-N 0 0 395.257 2.333 20 30 GEEDRN Cc1cc(C)c(C#N)c(N2CCn3ncc(I)c3C2)n1 ZINC000896604266 653887491 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C[C@@H]1CN(c2c(Br)cc(Cl)cc2C#N)C[C@H]1CS(N)(=O)=O ZINC000896894015 653898660 /nfs/dbraw/zinc/89/86/60/653898660.db2.gz DYCHZOWASCIIBF-SCZZXKLOSA-N 0 0 392.706 2.335 20 30 GEEDRN Cc1cc(C#N)cc(C)c1C(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000896917972 653899308 /nfs/dbraw/zinc/89/93/08/653899308.db2.gz HXMSJCXUTVGXOW-UHFFFAOYSA-N 0 0 377.491 2.287 20 30 GEEDRN Cc1c(NC(=O)C(=O)NC[C@@H]2CCC=CO2)ccc(Br)c1C#N ZINC000824536335 653900661 /nfs/dbraw/zinc/90/06/61/653900661.db2.gz YHUGKNHVZDSEPD-NSHDSACASA-N 0 0 378.226 2.377 20 30 GEEDRN COC(=O)C1([C@@]2(O)CCCN(c3ncc(C#N)cc3Br)C2)CCC1 ZINC000896970784 653901009 /nfs/dbraw/zinc/90/10/09/653901009.db2.gz NKCVDYJMPIGPJI-QGZVFWFLSA-N 0 0 394.269 2.390 20 30 GEEDRN C=C(Cl)CSc1nc(C)c(CC(=O)N2CC(N3CC[C@@H](O)C3)C2)s1 ZINC000846511148 653901219 /nfs/dbraw/zinc/90/12/19/653901219.db2.gz KLRIVMNXEIHWLQ-CYBMUJFWSA-N 0 0 387.958 2.116 20 30 GEEDRN C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(Cl)cc1C ZINC000884970628 653902227 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C[C@H]1CCc2ccc(Br)cc2C(=NNC(=S)NCC(N)=O)C1 ZINC000794510909 653910373 /nfs/dbraw/zinc/91/03/73/653910373.db2.gz YZSMLVOYNGUITC-VIFPVBQESA-N 0 0 383.315 2.075 20 30 GEEDRN NC(=O)CNN=C1CCCc2c(Br)cc(Br)cc21 ZINC000794534374 653910693 /nfs/dbraw/zinc/91/06/93/653910693.db2.gz IQWXQWCTXAXRCZ-UHFFFAOYSA-N 0 0 375.064 2.327 20 30 GEEDRN C#CCC[C@@H](O)CNC(=O)Nc1ccc(I)cc1F ZINC000824900650 653912008 /nfs/dbraw/zinc/91/20/08/653912008.db2.gz CYDKDCRGJCXPAY-SNVBAGLBSA-N 0 0 376.169 2.326 20 30 GEEDRN Cc1ccc(S(=O)(=O)N=S2(=O)CCN(CCC(C)(C)C#N)CC2)cc1 ZINC000846904600 653912322 /nfs/dbraw/zinc/91/23/22/653912322.db2.gz LTMOTLDTXIJPLB-UHFFFAOYSA-N 0 0 383.539 2.407 20 30 GEEDRN Cn1ncc(C#N)c1N1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000897275713 653913795 /nfs/dbraw/zinc/91/37/95/653913795.db2.gz ROMBNRGBXNRVSD-UHFFFAOYSA-N 0 0 375.152 2.290 20 30 GEEDRN N#C[C@]12CN(Cc3c(Cl)nc4cc(Cl)ccn43)C[C@@H]1CS(=O)(=O)C2 ZINC000897292702 653915023 /nfs/dbraw/zinc/91/50/23/653915023.db2.gz JNSMWXAGJFLMEH-MEBBXXQBSA-N 0 0 385.276 2.011 20 30 GEEDRN N#CCCc1ccc(S(=O)(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000885184511 653915554 /nfs/dbraw/zinc/91/55/54/653915554.db2.gz CQBHBONXXQWICQ-HIFRSBDPSA-N 0 0 376.400 2.324 20 30 GEEDRN CN(CCn1cc(Br)cn1)S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885193124 653916122 /nfs/dbraw/zinc/91/61/22/653916122.db2.gz PJFUHHRHECUFFJ-UHFFFAOYSA-N 0 0 397.298 2.422 20 30 GEEDRN C#CCNC(=O)C1CCN(C(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000847033992 653916162 /nfs/dbraw/zinc/91/61/62/653916162.db2.gz RWCHRTNRAQOMAV-MRXNPFEDSA-N 0 0 393.281 2.125 20 30 GEEDRN CS(=O)(=O)N1CCCC[C@@H]1C/N=C\c1cc(Br)ccc1O ZINC000794675954 653916171 /nfs/dbraw/zinc/91/61/71/653916171.db2.gz HHWNWQDRSIFPSO-WPBJZHHJSA-N 0 0 375.288 2.388 20 30 GEEDRN C#CCN1CCN(C(=O)COc2cc(F)c(Cl)cc2Br)CC1 ZINC000794729837 653917839 /nfs/dbraw/zinc/91/78/39/653917839.db2.gz KYBRWOMRLJLHBA-UHFFFAOYSA-N 0 0 389.652 2.398 20 30 GEEDRN COC(=O)c1occc1C=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000794746603 653918065 /nfs/dbraw/zinc/91/80/65/653918065.db2.gz YOMVAXSAISTNBJ-UHFFFAOYSA-N 0 0 387.211 2.141 20 30 GEEDRN C=CCn1cc(CNS(=O)(=O)Cc2ccc(Br)cc2C)nn1 ZINC000885251400 653920555 /nfs/dbraw/zinc/92/05/55/653920555.db2.gz ILNZMFWCYDMGGT-UHFFFAOYSA-N 0 0 385.287 2.155 20 30 GEEDRN C[C@H](OC(=O)Cc1c(Br)cnn1C)C(=O)Nc1cccc(C#N)c1 ZINC000885251862 653920828 /nfs/dbraw/zinc/92/08/28/653920828.db2.gz OJXOPPFKKNIPTA-JTQLQIEISA-N 0 0 391.225 2.167 20 30 GEEDRN C#CCN(CC(=O)NCc1ccncc1Br)C(=O)OC(C)(C)C ZINC000825214417 653921234 /nfs/dbraw/zinc/92/12/34/653921234.db2.gz UGOJLNKPZBTBEB-UHFFFAOYSA-N 0 0 382.258 2.331 20 30 GEEDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000885284174 653922570 /nfs/dbraw/zinc/92/25/70/653922570.db2.gz SCBFRCNGJDHIOU-JRTVQGFMSA-N 0 0 382.207 2.281 20 30 GEEDRN O=C(N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)[C@@]1(O)CCSC1 ZINC000885287718 653922989 /nfs/dbraw/zinc/92/29/89/653922989.db2.gz WJCAPWVDEFIVIX-ZXFLCMHBSA-N 0 0 399.303 2.484 20 30 GEEDRN CN1CCN(S(=O)(=O)c2ccc(N=NC[C@H]3CCCSC3)cc2)CC1 ZINC000794904921 653923410 /nfs/dbraw/zinc/92/34/10/653923410.db2.gz MQQNPYQDSJRZNC-OAHLLOKOSA-N 0 0 382.555 2.164 20 30 GEEDRN C#C[C@@H]1CCCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000847365317 653925851 /nfs/dbraw/zinc/92/58/51/653925851.db2.gz JBJXQBGSRAFLDF-CQSZACIVSA-N 0 0 383.901 2.063 20 30 GEEDRN N#C[C@@]12CN(C(=O)C3(c4ccccc4Cl)CCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000885311997 653926091 /nfs/dbraw/zinc/92/60/91/653926091.db2.gz ZILBAMILXUZQDS-DYVFJYSZSA-N 0 0 378.881 2.158 20 30 GEEDRN Cc1c2cccc(Cl)c2[nH]c1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885311408 653926103 /nfs/dbraw/zinc/92/61/03/653926103.db2.gz CNTUCEORGGNYJV-DIFFPNOSSA-N 0 0 377.853 2.140 20 30 GEEDRN C#CCN(C(=O)NCc1cccc(Br)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000847404308 653927028 /nfs/dbraw/zinc/92/70/28/653927028.db2.gz XXDLDFZUZZWESK-CQSZACIVSA-N 0 0 399.310 2.089 20 30 GEEDRN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)CN2CC[C@H](C)C2)n1 ZINC000847426969 653928707 /nfs/dbraw/zinc/92/87/07/653928707.db2.gz NBGQJOMGLKVRBS-NSHDSACASA-N 0 0 378.527 2.080 20 30 GEEDRN CC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000885378460 653929129 /nfs/dbraw/zinc/92/91/29/653929129.db2.gz CBSQBPBWFRSDAF-JTQLQIEISA-N 0 0 377.388 2.160 20 30 GEEDRN O=C1C=COC2(CCN(Cc3sc(N4CCOCC4)nc3Cl)CC2)C1 ZINC000897599559 653929521 /nfs/dbraw/zinc/92/95/21/653929521.db2.gz QFUDINKMHOLIOK-UHFFFAOYSA-N 0 0 383.901 2.471 20 30 GEEDRN N#C[C@@H](NC(=O)CCN1C(=O)CCNC1=S)c1cccc(Cl)c1Cl ZINC000847476229 653930075 /nfs/dbraw/zinc/93/00/75/653930075.db2.gz XKVCIHLLWUMGDS-LLVKDONJSA-N 0 0 385.276 2.171 20 30 GEEDRN N#CCc1cccc(S(=O)(=O)NCC(=O)OCc2ccccc2Cl)c1 ZINC000795105414 653931028 /nfs/dbraw/zinc/93/10/28/653931028.db2.gz QRPDFCOCCHYXGQ-UHFFFAOYSA-N 0 0 378.837 2.428 20 30 GEEDRN C#CCSCC(=O)N1CCC(O)(c2scnc2Br)CC1 ZINC000897636254 653931462 /nfs/dbraw/zinc/93/14/62/653931462.db2.gz QOSNTQPBBJLGNW-UHFFFAOYSA-N 0 0 375.313 2.082 20 30 GEEDRN C#CC1CCN(C(=O)NCc2ccc(S(=O)(=O)N(CC)CC)s2)CC1 ZINC000825573869 653933905 /nfs/dbraw/zinc/93/39/05/653933905.db2.gz HMIXNJPXVOZQEJ-UHFFFAOYSA-N 0 0 383.539 2.333 20 30 GEEDRN C#C[C@@H](NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C1CCOCC1 ZINC000825666086 653936695 /nfs/dbraw/zinc/93/66/95/653936695.db2.gz HKZSEJHWVLZUCM-HUUCEWRRSA-N 0 0 391.265 2.420 20 30 GEEDRN COc1cccc([C@@H](C#N)NC(=O)c2cc(Br)n(C)n2)c1OC ZINC000825721749 653938491 /nfs/dbraw/zinc/93/84/91/653938491.db2.gz PLUVDIZPZBLZRN-LLVKDONJSA-N 0 0 379.214 2.194 20 30 GEEDRN Cn1nc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1Br ZINC000825844874 653942192 /nfs/dbraw/zinc/94/21/92/653942192.db2.gz POUBLRSLYQFOQA-AWEZNQCLSA-N 0 0 388.269 2.033 20 30 GEEDRN N#Cc1ncccc1OS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000795283046 653942590 /nfs/dbraw/zinc/94/25/90/653942590.db2.gz MRALQKRCKLQBPL-UHFFFAOYSA-N 0 0 392.336 2.014 20 30 GEEDRN C[C@@H](OC(=O)c1cn(C)nc1Br)C(=O)NC1(C#N)CCCCC1 ZINC000885678337 653943008 /nfs/dbraw/zinc/94/30/08/653943008.db2.gz 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532395424 /nfs/dbraw/zinc/39/54/24/532395424.db2.gz FTXCPIHQIRTSLO-CYBMUJFWSA-N 0 0 395.893 2.353 20 30 GEEDRN N#Cc1c(Br)cccc1OCC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000590676868 532380522 /nfs/dbraw/zinc/38/05/22/532380522.db2.gz NWMPWDHNGZZLND-JKSUJKDBSA-N 0 0 395.253 2.106 20 30 GEEDRN C[C@H]1C[C@H](Nc2ncc(Br)cc2C#N)C(=O)N1c1cnn(C)c1 ZINC000590691481 532382816 /nfs/dbraw/zinc/38/28/16/532382816.db2.gz PTZPYKSQZPTBCU-ZANVPECISA-N 0 0 375.230 2.055 20 30 GEEDRN N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2ncon2)cc1Br ZINC000516312159 532384553 /nfs/dbraw/zinc/38/45/53/532384553.db2.gz AAHNBXOTICKBQA-ZDUSSCGKSA-N 0 0 377.198 2.446 20 30 GEEDRN N#CC1(CS(=O)(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)CC1 ZINC000463868330 532385030 /nfs/dbraw/zinc/38/50/30/532385030.db2.gz WTBUWQBDHMFUGC-LBPRGKRZSA-N 0 0 376.400 2.080 20 30 GEEDRN Cn1ccnc1[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCO1 ZINC000590765589 532385272 /nfs/dbraw/zinc/38/52/72/532385272.db2.gz RLOXAKCJXOOGGZ-IUODEOHRSA-N 0 0 380.857 2.144 20 30 GEEDRN N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc3c(Br)ccnc23)C1 ZINC000590784504 532386725 /nfs/dbraw/zinc/38/67/25/532386725.db2.gz OUTJPJFDMPPWSA-INIZCTEOSA-N 0 0 391.200 2.400 20 30 GEEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(Br)cn3)C2=O)cc1 ZINC000192121926 532386690 /nfs/dbraw/zinc/38/66/90/532386690.db2.gz SZBDUYIBKIKRAP-INIZCTEOSA-N 0 0 399.248 2.247 20 30 GEEDRN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N(CCC#N)CC(F)(F)F)c1C ZINC000192126777 532386748 /nfs/dbraw/zinc/38/67/48/532386748.db2.gz UTORJGJWTRBKEK-UHFFFAOYSA-N 0 0 381.376 2.275 20 30 GEEDRN CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000279131966 532389506 /nfs/dbraw/zinc/38/95/06/532389506.db2.gz RAYIOXIBZGGTKF-UHFFFAOYSA-N 0 0 383.271 2.265 20 30 GEEDRN Cc1ncc(Br)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000590851418 532390210 /nfs/dbraw/zinc/39/02/10/532390210.db2.gz BJHOZSVJXJIVEB-UHFFFAOYSA-N 0 0 392.261 2.426 20 30 GEEDRN N#CCCn1ccc(NC(=O)NCCCCn2cc(Br)cn2)n1 ZINC000279453434 532395712 /nfs/dbraw/zinc/39/57/12/532395712.db2.gz PNBMSCQFYBRLNE-UHFFFAOYSA-N 0 0 380.250 2.358 20 30 GEEDRN Cc1c(NC(=O)C(=O)N[C@@H]2CCO[C@H](C)C2)ccc(Br)c1C#N ZINC000425744596 532392543 /nfs/dbraw/zinc/39/25/43/532392543.db2.gz OKIKWBJYMABSHT-MWLCHTKSSA-N 0 0 380.242 2.251 20 30 GEEDRN Cc1noc([C@@H](C)NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)n1 ZINC000425741849 532392762 /nfs/dbraw/zinc/39/27/62/532392762.db2.gz NWEMUMSPFLYLSC-MRVPVSSYSA-N 0 0 392.213 2.137 20 30 GEEDRN N#Cc1cc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccc1Br ZINC000516853195 532392917 /nfs/dbraw/zinc/39/29/17/532392917.db2.gz QPZGANGGVVTRMI-BETUJISGSA-N 0 0 388.221 2.210 20 30 GEEDRN CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425746016 532393060 /nfs/dbraw/zinc/39/30/60/532393060.db2.gz QWVXYGXJJFBTFF-YMTOWFKASA-N 0 0 382.258 2.091 20 30 GEEDRN N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2CO)cc1Br ZINC000558539351 532393184 /nfs/dbraw/zinc/39/31/84/532393184.db2.gz QVXLSOVGHFNKBU-UHFFFAOYSA-N 0 0 388.221 2.068 20 30 GEEDRN CO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)C1(C)C ZINC000425764343 532393799 /nfs/dbraw/zinc/39/37/99/532393799.db2.gz ZEPZRALPIKTTDX-KBPBESRZSA-N 0 0 394.269 2.497 20 30 GEEDRN C=CCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1nnnn1C ZINC000558673477 532394851 /nfs/dbraw/zinc/39/48/51/532394851.db2.gz QBFLAQMJECGRCN-UHFFFAOYSA-N 0 0 389.261 2.054 20 30 GEEDRN Cc1c(C#N)c(Br)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000425775140 532394898 /nfs/dbraw/zinc/39/48/98/532394898.db2.gz XDZHCCVQJZKNDL-XHDPSFHLSA-N 0 0 394.269 2.235 20 30 GEEDRN Cc1c(C#N)c(Br)ccc1NC(=O)C(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000425777273 532395113 /nfs/dbraw/zinc/39/51/13/532395113.db2.gz AJTIXSNKMVKCAI-DYZYQPBXSA-N 0 0 394.269 2.235 20 30 GEEDRN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@]2(C#N)CC2(C)C)s1 ZINC000516919309 532397957 /nfs/dbraw/zinc/39/79/57/532397957.db2.gz FNMLVWFSBCGGHE-KRWDZBQOSA-N 0 0 383.539 2.423 20 30 GEEDRN CC(C)(C)OC(=O)NC[C@H]1CN(c2ncc(Br)cc2C#N)CCO1 ZINC000295029330 532398105 /nfs/dbraw/zinc/39/81/05/532398105.db2.gz MXYUBGZWYYWNJZ-ZDUSSCGKSA-N 0 0 397.273 2.446 20 30 GEEDRN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N[C@@]2(C#N)CC2(C)C)s1 ZINC000516919310 532398256 /nfs/dbraw/zinc/39/82/56/532398256.db2.gz FNMLVWFSBCGGHE-QGZVFWFLSA-N 0 0 383.539 2.423 20 30 GEEDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C)[C@@H](O)CC ZINC000425784143 532396411 /nfs/dbraw/zinc/39/64/11/532396411.db2.gz QXIKCDXJBHRUDR-OCCSQVGLSA-N 0 0 382.258 2.233 20 30 GEEDRN C#CCN(C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000192227075 532396789 /nfs/dbraw/zinc/39/67/89/532396789.db2.gz UCLSXPGVNCELSN-CYBMUJFWSA-N 0 0 385.917 2.263 20 30 GEEDRN Cc1c(NC(=O)C(=O)NCC2=CCCOC2)ccc(Br)c1C#N ZINC000425791187 532397016 /nfs/dbraw/zinc/39/70/16/532397016.db2.gz SVKHBHMWXNUXPT-UHFFFAOYSA-N 0 0 378.226 2.031 20 30 GEEDRN C=CCN(C(=O)c1cccc(Br)c1F)[C@@H]1CCS(=O)(=O)C1 ZINC000192291712 532400075 /nfs/dbraw/zinc/40/00/75/532400075.db2.gz ZYFQKQHHUUMOJM-SNVBAGLBSA-N 0 0 376.247 2.404 20 30 GEEDRN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000425853771 532400579 /nfs/dbraw/zinc/40/05/79/532400579.db2.gz JHENSNQKSHTBNU-ZOBUZTSGSA-N 0 0 397.313 2.490 20 30 GEEDRN CC(C)(CC#N)CS(=O)(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000295067275 532401016 /nfs/dbraw/zinc/40/10/16/532401016.db2.gz CHYZWJPTYZKNDM-ZDUSSCGKSA-N 0 0 375.288 2.342 20 30 GEEDRN C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000295086698 532402516 /nfs/dbraw/zinc/40/25/16/532402516.db2.gz DYHXYJKCCFVFPX-KOLCDFICSA-N 0 0 391.262 2.384 20 30 GEEDRN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)cc1Br ZINC000295109575 532404511 /nfs/dbraw/zinc/40/45/11/532404511.db2.gz IHRLIMKRWGBAFF-TVQRCGJNSA-N 0 0 391.262 2.289 20 30 GEEDRN N#Cc1cc(S(=O)(=O)N2CCCN(CC(F)(F)F)CC2)ccc1Cl ZINC000559735948 532404733 /nfs/dbraw/zinc/40/47/33/532404733.db2.gz GPIJWHZCMMOJGX-UHFFFAOYSA-N 0 0 381.807 2.470 20 30 GEEDRN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCOCC2)cc1Br ZINC000295135634 532407689 /nfs/dbraw/zinc/40/76/89/532407689.db2.gz KIYNCWNRQMZUBC-SNVBAGLBSA-N 0 0 377.235 2.307 20 30 GEEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1C[C@H]1OCC ZINC000559840035 532406227 /nfs/dbraw/zinc/40/62/27/532406227.db2.gz LQYOTABIFFYGAJ-QWHCGFSZSA-N 0 0 383.242 2.392 20 30 GEEDRN COC(=O)CCCCCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000591324149 532406436 /nfs/dbraw/zinc/40/64/36/532406436.db2.gz UZJCEHNRFZNNFI-UHFFFAOYSA-N 0 0 389.271 2.332 20 30 GEEDRN N#C[C@@H]1CN(C(=O)c2c(F)cccc2I)CCN1C1CC1 ZINC000372786274 532410075 /nfs/dbraw/zinc/41/00/75/532410075.db2.gz JEGYGSTUNWMSEQ-LLVKDONJSA-N 0 0 399.207 2.243 20 30 GEEDRN CS(=O)(=O)Nc1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)ccc1F ZINC000427114339 532410961 /nfs/dbraw/zinc/41/09/61/532410961.db2.gz MCXREKXXTMWTKW-UHFFFAOYSA-N 0 0 387.389 2.009 20 30 GEEDRN C=C(C)[C@@H](CO)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000649242317 532418486 /nfs/dbraw/zinc/41/84/86/532418486.db2.gz SQJQPGILQPNWEW-CQSZACIVSA-N 0 0 379.309 2.237 20 30 GEEDRN Cn1nc(Br)cc1C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000372939830 532421088 /nfs/dbraw/zinc/42/10/88/532421088.db2.gz IJHJOIKQVSGTSP-UHFFFAOYSA-N 0 0 385.225 2.374 20 30 GEEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCOC[C@@H]2C2CC2)cc1Br ZINC000295231745 532423282 /nfs/dbraw/zinc/42/32/82/532423282.db2.gz XAFMCOKEKCHZMW-CYBMUJFWSA-N 0 0 389.246 2.259 20 30 GEEDRN Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000560711843 532421528 /nfs/dbraw/zinc/42/15/28/532421528.db2.gz RVHMXTLKHXFWQJ-UHFFFAOYSA-N 0 0 376.463 2.402 20 30 GEEDRN O=C(NCCOC(F)(F)F)C(=O)Nc1cc(F)c(OC(F)F)cc1F ZINC000427359002 532421746 /nfs/dbraw/zinc/42/17/46/532421746.db2.gz TWEWDZKICHQALH-UHFFFAOYSA-N 0 0 378.200 2.157 20 30 GEEDRN COC(=O)c1c(C)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1Br ZINC000466356314 532425993 /nfs/dbraw/zinc/42/59/93/532425993.db2.gz ZGOCBFUATCXQND-SECBINFHSA-N 0 0 392.213 2.207 20 30 GEEDRN COC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000591872811 532428043 /nfs/dbraw/zinc/42/80/43/532428043.db2.gz HFMAMWNSHVQBLY-LLVKDONJSA-N 0 0 380.242 2.205 20 30 GEEDRN COc1cc(CNC(=O)N2CC[C@@](O)(CC#N)C2)cc(Br)c1OC ZINC000591940068 532429279 /nfs/dbraw/zinc/42/92/79/532429279.db2.gz PSVZQYJCYKYVSF-INIZCTEOSA-N 0 0 398.257 2.026 20 30 GEEDRN C[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)Oc1ccccc1Br ZINC000591977568 532430842 /nfs/dbraw/zinc/43/08/42/532430842.db2.gz YBUINSIXRBYDMC-MLGOLLRUSA-N 0 0 382.258 2.276 20 30 GEEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC=C(Br)C1 ZINC000281841066 532436953 /nfs/dbraw/zinc/43/69/53/532436953.db2.gz FSSXLGLLECDNEM-NSHDSACASA-N 0 0 378.226 2.427 20 30 GEEDRN C=C(CC)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC)C(F)F)cc1 ZINC000517959810 532432640 /nfs/dbraw/zinc/43/26/40/532432640.db2.gz APASWDDSMLYAPE-CQSZACIVSA-N 0 0 396.481 2.253 20 30 GEEDRN COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000281803926 532434553 /nfs/dbraw/zinc/43/45/53/532434553.db2.gz QOSYLKJLLSAMTK-AWEZNQCLSA-N 0 0 376.356 2.151 20 30 GEEDRN C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000373282701 532440845 /nfs/dbraw/zinc/44/08/45/532440845.db2.gz DGUNPXKVHWDZAS-AWEZNQCLSA-N 0 0 385.917 2.066 20 30 GEEDRN N#CC1(CS(=O)(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000281853375 532438688 /nfs/dbraw/zinc/43/86/88/532438688.db2.gz BMWLBTHPZGLFEM-NSHDSACASA-N 0 0 375.219 2.245 20 30 GEEDRN CC[C@H](C)C[C@H](CO)NS(=O)(=O)c1cccc(Br)c1C#N ZINC000592081397 532438932 /nfs/dbraw/zinc/43/89/32/532438932.db2.gz AJYLVYPYXQQEJQ-WDEREUQCSA-N 0 0 375.288 2.396 20 30 GEEDRN N#CC[C@@]1(O)CCN(S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000592077591 532439014 /nfs/dbraw/zinc/43/90/14/532439014.db2.gz HIKMHLNIRNBHHP-OAHLLOKOSA-N 0 0 396.266 2.036 20 30 GEEDRN N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000592078312 532439587 /nfs/dbraw/zinc/43/95/87/532439587.db2.gz PJBKKBKWQKPPIQ-GFCCVEGCSA-N 0 0 379.663 2.142 20 30 GEEDRN CC[C@H](NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)NCc1cccs1 ZINC000592080478 532439689 /nfs/dbraw/zinc/43/96/89/532439689.db2.gz PWIQLHAAGNSBBH-HNNXBMFYSA-N 0 0 377.491 2.302 20 30 GEEDRN CNC(=O)c1nn(Cc2ccc(Br)cc2C#N)c(=O)c2ccccc21 ZINC000561434071 532439789 /nfs/dbraw/zinc/43/97/89/532439789.db2.gz 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O=S(=O)(c1ccc(NN=Cc2cc(-c3nn[nH]n3)cs2)cc1)C(F)F ZINC000823607359 606206913 /nfs/dbraw/zinc/20/69/13/606206913.db2.gz SNXFVGWSIXODRL-UHFFFAOYSA-N 0 0 384.393 2.371 20 30 GEEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(-c3nn[nH]n3)cn2C)cc1 ZINC000819740238 606234850 /nfs/dbraw/zinc/23/48/50/606234850.db2.gz VPIXPXLIKURZHV-UHFFFAOYSA-N 0 0 391.435 2.272 20 30 GEEDRN N#C[C@H]1COCCN1C(=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000822807116 606285023 /nfs/dbraw/zinc/28/50/23/606285023.db2.gz YSZNGUBHUMEMQA-AWEZNQCLSA-N 0 0 392.444 2.382 20 30 GEEDRN CN(Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000821613327 606315912 /nfs/dbraw/zinc/31/59/12/606315912.db2.gz IFZHZPPDCGCOLN-HNNXBMFYSA-N 0 0 379.449 2.037 20 30 GEEDRN COc1ccc(NC(=S)NN=Cc2ccc(-c3nn[nH]n3)s2)cc1F ZINC000821834982 606370947 /nfs/dbraw/zinc/37/09/47/606370947.db2.gz AAMLKWXRFMGYKZ-UHFFFAOYSA-N 0 0 377.430 2.396 20 30 GEEDRN COc1cc(C(=O)C=Cc2ccc(-c3nn[nH]n3)s2)ccc1S(C)(=O)=O ZINC000821702953 606390729 /nfs/dbraw/zinc/39/07/29/606390729.db2.gz IPFDPAQOYQASFG-XQRVVYSFSA-N 0 0 390.446 2.236 20 30 GEEDRN N#Cc1cnc2ccc(Cl)cc2c1NCCNc1ncccc1-c1nn[nH]n1 ZINC000822842641 606461349 /nfs/dbraw/zinc/46/13/49/606461349.db2.gz RQBLPSOMGYFVIV-UHFFFAOYSA-N 0 0 391.826 2.281 20 30 GEEDRN N#Cc1cccnc1NCCNc1c(-c2nn[nH]n2)cnc2ccc(Cl)cc21 ZINC000822842782 606461500 /nfs/dbraw/zinc/46/15/00/606461500.db2.gz YKHGJQWGGOAMEK-UHFFFAOYSA-N 0 0 391.826 2.281 20 30 GEEDRN N#Cc1cccc(OCCCCC(=O)OCc2ccnc(-c3nn[nH]n3)c2)c1 ZINC000822836993 606648250 /nfs/dbraw/zinc/64/82/50/606648250.db2.gz DJMWOBXDSOAPMY-UHFFFAOYSA-N 0 0 378.392 2.426 20 30 GEEDRN C[C@@H](Nc1ccn(CCC#N)n1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820461394 606655577 /nfs/dbraw/zinc/65/55/77/606655577.db2.gz JDGYFEFVQGDGGT-SNVBAGLBSA-N 0 0 385.819 2.069 20 30 GEEDRN COC[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821680636 606775486 /nfs/dbraw/zinc/77/54/86/606775486.db2.gz PDYXUZMMIYZYEQ-LJQANCHMSA-N 0 0 378.392 2.317 20 30 GEEDRN CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1 ZINC000819939565 606849189 /nfs/dbraw/zinc/84/91/89/606849189.db2.gz GJIPCTSFAKMACW-UHFFFAOYSA-N 0 0 385.428 2.228 20 30 GEEDRN Cc1cc(C#N)ccc1Oc1ccc(C(=O)n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000822162034 606850235 /nfs/dbraw/zinc/85/02/35/606850235.db2.gz WRPRSFDHIUFJBV-UHFFFAOYSA-N 0 0 386.375 2.306 20 30 GEEDRN N#CCCN(c1ccccc1)S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822811418 606866470 /nfs/dbraw/zinc/86/64/70/606866470.db2.gz YVJLPILUSSSIPY-UHFFFAOYSA-N 0 0 390.375 2.254 20 30 GEEDRN CCS[C@@H](C)c1noc(CSc2nc(N)c(-c3nn[nH]n3)cc2C#N)n1 ZINC000821449106 606980463 /nfs/dbraw/zinc/98/04/63/606980463.db2.gz PZPAGSKCBGEXKX-ZETCQYMHSA-N 0 0 389.470 2.205 20 30 GEEDRN N#CCn1c(CSc2cccc(-c3nn[nH]n3)c2)nc2ccccc2c1=O ZINC000822815531 607015457 /nfs/dbraw/zinc/01/54/57/607015457.db2.gz SIVCTROEEBPJQP-UHFFFAOYSA-N 0 0 375.417 2.392 20 30 GEEDRN Cc1ccc(C#N)cc1OS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000799790658 607049930 /nfs/dbraw/zinc/04/99/30/607049930.db2.gz MACOZHCQLJGEEO-UHFFFAOYSA-N 0 0 375.797 2.468 20 30 GEEDRN N#Cc1ccc(F)cc1CN1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000822830068 607063298 /nfs/dbraw/zinc/06/32/98/607063298.db2.gz TYAPUVINGXBYDR-UHFFFAOYSA-N 0 0 381.390 2.339 20 30 GEEDRN N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822801726 607068957 /nfs/dbraw/zinc/06/89/57/607068957.db2.gz NFLHVPWSOAGIID-IBGZPJMESA-N 0 0 377.427 2.388 20 30 GEEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cnn(-c2cccnc2)c1 ZINC000819745952 607082292 /nfs/dbraw/zinc/08/22/92/607082292.db2.gz WKCHIQOHEVMNEX-UHFFFAOYSA-N 0 0 386.419 2.276 20 30 GEEDRN N#Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c(Cl)c1 ZINC000822833541 607123009 /nfs/dbraw/zinc/12/30/09/607123009.db2.gz RELHYVCQIHUYPZ-UHFFFAOYSA-N 0 0 378.776 2.332 20 30 GEEDRN C[C@H](Nc1ccc(F)cc1OCC#N)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820455701 607145052 /nfs/dbraw/zinc/14/50/52/607145052.db2.gz LXEOMBUJTLNXJX-NSHDSACASA-N 0 0 381.371 2.347 20 30 GEEDRN C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[nH]n1)c1cn(-c2ccccc2)nn1 ZINC000820555291 607156694 /nfs/dbraw/zinc/15/66/94/607156694.db2.gz ILVYPWNWZUBKHR-JTQLQIEISA-N 0 0 390.436 2.150 20 30 GEEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000819743342 607213773 /nfs/dbraw/zinc/21/37/73/607213773.db2.gz HDYKZEKIFXFTJP-CYBMUJFWSA-N 0 0 380.456 2.227 20 30 GEEDRN N#Cc1ccc(SCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000826385951 607817135 /nfs/dbraw/zinc/81/71/35/607817135.db2.gz IWSVTAYULMRTNG-UHFFFAOYSA-N 0 0 389.437 2.443 20 30 GEEDRN N#Cc1ccc2nc(N3CCN(c4ncccc4-c4nn[nH]n4)CC3)ccc2c1 ZINC000826385892 607838964 /nfs/dbraw/zinc/83/89/64/607838964.db2.gz GMIRNFGQFQQJAE-UHFFFAOYSA-N 0 0 383.419 2.008 20 30 GEEDRN N#CCc1ccc(OC[C@H](O)COc2ccc(-c3nn[nH]n3)cc2Cl)cc1 ZINC000826382722 607872738 /nfs/dbraw/zinc/87/27/38/607872738.db2.gz RSQXLKFNDRPRLN-AWEZNQCLSA-N 0 0 385.811 2.405 20 30 GEEDRN CC(C)C[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000824229597 607880231 /nfs/dbraw/zinc/88/02/31/607880231.db2.gz SMFMZMTZKFAABE-VIFPVBQESA-N 0 0 388.375 2.102 20 30 GEEDRN CN(CCCNC(=S)NN=Cc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000825919295 607888664 /nfs/dbraw/zinc/88/86/64/607888664.db2.gz YJVVXOHFLRFYPA-UHFFFAOYSA-N 0 0 394.508 2.191 20 30 GEEDRN C#CC[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000823838394 607944431 /nfs/dbraw/zinc/94/44/31/607944431.db2.gz PJCBHWYPOFEPMI-MRXNPFEDSA-N 0 0 394.822 2.339 20 30 GEEDRN C=CCCOCCNC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000823899089 607944507 /nfs/dbraw/zinc/94/45/07/607944507.db2.gz KVSGVYIZGLZBCY-UHFFFAOYSA-N 0 0 383.408 2.361 20 30 GEEDRN C#CC[C@H](NC(=O)COc1ccc(-c2nn[nH]n2)cc1OC)c1ccccc1 ZINC000823837674 607956010 /nfs/dbraw/zinc/95/60/10/607956010.db2.gz FMLJRTRUXMOJLN-INIZCTEOSA-N 0 0 377.404 2.135 20 30 GEEDRN C#CC[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)c1ccccc1 ZINC000823837865 607956190 /nfs/dbraw/zinc/95/61/90/607956190.db2.gz HWIATLXFPOQCTG-GOSISDBHSA-N 0 0 398.430 2.129 20 30 GEEDRN Cc1nc(SCC(=O)Nc2cc(-c3nn[nH]n3)ccc2O)c(C#N)c(C)c1C ZINC000826327447 607997330 /nfs/dbraw/zinc/99/73/30/607997330.db2.gz HXTLJSLIEKCBRB-UHFFFAOYSA-N 0 0 395.448 2.495 20 30 GEEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1c(C)nc2ccnn2c1C ZINC000823914418 608026872 /nfs/dbraw/zinc/02/68/72/608026872.db2.gz ILBVIHPLHGFIJJ-UHFFFAOYSA-N 0 0 388.435 2.355 20 30 GEEDRN N#Cc1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387519 608049320 /nfs/dbraw/zinc/04/93/20/608049320.db2.gz ZDGFVPASVIZJHX-KRWDZBQOSA-N 0 0 375.392 2.344 20 30 GEEDRN N#Cc1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387520 608049326 /nfs/dbraw/zinc/04/93/26/608049326.db2.gz ZDGFVPASVIZJHX-QGZVFWFLSA-N 0 0 375.392 2.344 20 30 GEEDRN N#Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826384180 608053455 /nfs/dbraw/zinc/05/34/55/608053455.db2.gz KFYBCODLKBABHV-QGZVFWFLSA-N 0 0 377.364 2.224 20 30 GEEDRN N#Cc1cccc([C@@H]2CN(CCOc3ccccc3-c3nn[nH]n3)CCO2)c1 ZINC000826386952 608070688 /nfs/dbraw/zinc/07/06/88/608070688.db2.gz ZJANSGSDCOBIIM-IBGZPJMESA-N 0 0 376.420 2.191 20 30 GEEDRN N#Cc1cccc([C@H]2CN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CCO2)c1 ZINC000826386786 608089629 /nfs/dbraw/zinc/08/96/29/608089629.db2.gz SRFZHLFQPMUARL-OLHLWXQYSA-N 0 0 386.415 2.352 20 30 GEEDRN CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(-c2nn[nH]n2)s1 ZINC000823953872 608091755 /nfs/dbraw/zinc/09/17/55/608091755.db2.gz TVHXMNQUCLUWBL-UHFFFAOYSA-N 0 0 376.467 2.248 20 30 GEEDRN CCn1c(NC(=O)COc2ccc(C#N)cc2)nc2cc(-c3nn[nH]n3)ccc21 ZINC000825793525 608179371 /nfs/dbraw/zinc/17/93/71/608179371.db2.gz WDDNHBIBLITHNL-UHFFFAOYSA-N 0 0 388.391 2.125 20 30 GEEDRN N#Cc1ccc(N2CCN(c3ccc4cc(-c5nn[nH]n5)ccc4n3)CC2)nc1 ZINC000826385757 608223595 /nfs/dbraw/zinc/22/35/95/608223595.db2.gz ZEAAIWPSIBULCM-UHFFFAOYSA-N 0 0 383.419 2.008 20 30 GEEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](c2cccnc2)CC1=O ZINC000823915347 608235939 /nfs/dbraw/zinc/23/59/39/608235939.db2.gz VUHDNMGRWCTJDB-IBGZPJMESA-N 0 0 389.463 2.223 20 30 GEEDRN C[C@@H](OC(=O)C#Cc1ccccc1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000824706942 608316962 /nfs/dbraw/zinc/31/69/62/608316962.db2.gz MFTGMEVDHHKXQY-GFCCVEGCSA-N 0 0 395.806 2.442 20 30 GEEDRN COc1cc(-c2nn[nH]n2)ccc1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000826169879 608353712 /nfs/dbraw/zinc/35/37/12/608353712.db2.gz IOSOMPHUPUFQSN-UHFFFAOYSA-N 0 0 393.426 2.208 20 30 GEEDRN CC(C)NC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)cc1 ZINC000824304854 608493594 /nfs/dbraw/zinc/49/35/94/608493594.db2.gz GPEPVWHMZPZKTO-UHFFFAOYSA-N 0 0 375.392 2.129 20 30 GEEDRN Cc1cc(F)ccc1-n1cc(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)nn1 ZINC000826268206 608494779 /nfs/dbraw/zinc/49/47/79/608494779.db2.gz OCJTVLZJOHTWFT-UHFFFAOYSA-N 0 0 389.354 2.019 20 30 GEEDRN Oc1ccc(C=NC2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c(O)c1O ZINC000826511029 608527196 /nfs/dbraw/zinc/52/71/96/608527196.db2.gz YLFJCOQZMLGRLU-UKWGHVSLSA-N 0 0 396.407 2.188 20 30 GEEDRN COc1cc(OC)c(OC)cc1CN=Nc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826181141 608541968 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C=C(Cl)CNC(=O)NCC(=O)Nc1ccc(I)cc1 ZINC000790730497 653796300 /nfs/dbraw/zinc/79/63/00/653796300.db2.gz PHPNGXHTDDUUPK-UHFFFAOYSA-N 0 0 393.612 2.281 20 30 GEEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000866460338 653796722 /nfs/dbraw/zinc/79/67/22/653796722.db2.gz GLKMRBHLHBTDQA-MJBXVCDLSA-N 0 0 376.881 2.333 20 30 GEEDRN N#Cc1c(Br)cccc1S(=O)(=O)NC1(c2ncccn2)CCC1 ZINC000882683784 653798000 /nfs/dbraw/zinc/79/80/00/653798000.db2.gz TVLLMRXYVQDOCU-UHFFFAOYSA-N 0 0 393.266 2.468 20 30 GEEDRN CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(C#N)c(Br)cn2)[C@H](O)C1 ZINC000882689008 653798028 /nfs/dbraw/zinc/79/80/28/653798028.db2.gz UXXXCZUCJXZHGG-CHWSQXEVSA-N 0 0 397.273 2.498 20 30 GEEDRN COc1cc(C#N)cc(Br)c1OC(=O)COCc1ccnn1C ZINC000790849143 653798967 /nfs/dbraw/zinc/79/89/67/653798967.db2.gz GJZKMWVLSJBSIO-UHFFFAOYSA-N 0 0 380.198 2.185 20 30 GEEDRN N#Cc1cc(Br)cc(COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000790859592 653799161 /nfs/dbraw/zinc/79/91/61/653799161.db2.gz 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C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccn(CC)c2)s1 ZINC000822375218 653825824 /nfs/dbraw/zinc/82/58/24/653825824.db2.gz RYUJPAWWTJDATC-UHFFFAOYSA-N 0 0 381.523 2.235 20 30 GEEDRN N#Cc1nc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)ccc1Br ZINC000883091642 653826192 /nfs/dbraw/zinc/82/61/92/653826192.db2.gz SVEDEOZSQNYIEU-LLVKDONJSA-N 0 0 379.136 2.247 20 30 GEEDRN CC(C)(C)N1CC[C@@H](NC(=O)Nc2ccc(Br)c(C#N)n2)C1=O ZINC000883115390 653828649 /nfs/dbraw/zinc/82/86/49/653828649.db2.gz XHNMXZVYGQXZOP-SNVBAGLBSA-N 0 0 380.246 2.237 20 30 GEEDRN N#Cc1cccnc1N1CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000792034633 653832519 /nfs/dbraw/zinc/83/25/19/653832519.db2.gz SUYHHAOYRRESCW-UHFFFAOYSA-N 0 0 390.216 2.212 20 30 GEEDRN C=CCNS(=O)(=O)c1ccccc1NCC1CCC(S(C)(=O)=O)CC1 ZINC000895416431 653833490 /nfs/dbraw/zinc/83/34/90/653833490.db2.gz VJEKRDDZNHOVJZ-UHFFFAOYSA-N 0 0 386.539 2.166 20 30 GEEDRN N#CCCCOc1cccnc1NC(=O)NCC[S@](=O)CC(F)(F)F ZINC000822671696 653836027 /nfs/dbraw/zinc/83/60/27/653836027.db2.gz 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653848191 /nfs/dbraw/zinc/84/81/91/653848191.db2.gz BEBMFHCWJYBWES-UHFFFAOYSA-N 0 0 388.269 2.407 20 30 GEEDRN COC(=O)/C=C/c1ccc(S(=O)(=O)N(CCC#N)CC(F)(F)F)cc1 ZINC000792657895 653848422 /nfs/dbraw/zinc/84/84/22/653848422.db2.gz HBDLTYACRKKHDN-VMPITWQZSA-N 0 0 376.356 2.339 20 30 GEEDRN C#C[C@@H](NC(=O)NC[C@H]1CC(=O)N(CC)C1)c1ccc(Br)cc1 ZINC000845484921 653850866 /nfs/dbraw/zinc/85/08/66/653850866.db2.gz AKRMXTQZCMQVGW-IUODEOHRSA-N 0 0 378.270 2.291 20 30 GEEDRN COc1cc(C#N)cc(Br)c1OS(=O)(=O)C[C@@H]1CCCOC1 ZINC000792764374 653852739 /nfs/dbraw/zinc/85/27/39/653852739.db2.gz JWPPIILWDNCIMK-SNVBAGLBSA-N 0 0 390.255 2.465 20 30 GEEDRN C#CC1(F)CN(C(=O)NCc2noc(-c3cccc(Br)c3)n2)C1 ZINC000883771797 653852917 /nfs/dbraw/zinc/85/29/17/653852917.db2.gz PRJQBSIPQFHMRA-UHFFFAOYSA-N 0 0 379.189 2.366 20 30 GEEDRN CCn1ncc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Br ZINC000823095764 653853348 /nfs/dbraw/zinc/85/33/48/653853348.db2.gz UVPPZFINSQOIAI-LBPRGKRZSA-N 0 0 390.241 2.226 20 30 GEEDRN 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653702734 /nfs/dbraw/zinc/70/27/34/653702734.db2.gz DSCMUYLXRXVWQJ-GFCCVEGCSA-N 0 0 375.288 2.354 20 30 GEEDRN COc1cc(C=NN2CCOC2=O)cc(I)c1OC ZINC000863162695 653703121 /nfs/dbraw/zinc/70/31/21/653703121.db2.gz VNMYMPGCJODIIY-UHFFFAOYSA-N 0 0 376.150 2.095 20 30 GEEDRN Cc1cc(Cl)cc(C#N)c1OS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC000817155641 653705174 /nfs/dbraw/zinc/70/51/74/653705174.db2.gz PAOKFKNLTMONKM-NSHDSACASA-N 0 0 377.871 2.054 20 30 GEEDRN CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@@H](C#N)COC ZINC000785174588 653705609 /nfs/dbraw/zinc/70/56/09/653705609.db2.gz WVIZFANBIBBXGW-NSHDSACASA-N 0 0 383.198 2.180 20 30 GEEDRN COc1cc(C#N)cc(Br)c1OS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000785508886 653710987 /nfs/dbraw/zinc/71/09/87/653710987.db2.gz NOBVTPAFOYYWDE-PELKAZGASA-N 0 0 376.228 2.215 20 30 GEEDRN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc(Cl)c(C#N)s1)C2=O ZINC000841226614 653711065 /nfs/dbraw/zinc/71/10/65/653711065.db2.gz NZEURJICJCKZBC-AYVTZFPOSA-N 0 0 381.845 2.107 20 30 GEEDRN CN1C(=O)N(CC(=O)Nc2nc(Cl)c(C#N)s2)C(=O)C12CCCCC2 ZINC000841226753 653711153 /nfs/dbraw/zinc/71/11/53/653711153.db2.gz SCGLHGXLBBBXMB-UHFFFAOYSA-N 0 0 381.845 2.204 20 30 GEEDRN C=CCS(=O)(=O)CCNC(=O)Nc1c(OC)cccc1OC(F)(F)F ZINC000880676860 653711484 /nfs/dbraw/zinc/71/14/84/653711484.db2.gz UDCMOYJPGSMZIP-UHFFFAOYSA-N 0 0 382.360 2.316 20 30 GEEDRN C=CCS(=O)(=O)CCNC(=O)Nc1cc(C(C)=O)ccc1Br ZINC000880806844 653715188 /nfs/dbraw/zinc/71/51/88/653715188.db2.gz MYEZOUUUHFISEK-UHFFFAOYSA-N 0 0 389.271 2.374 20 30 GEEDRN N#Cc1cccc([C@@H](NC(=O)NC2CCS(=O)(=O)CC2)C(F)(F)F)c1 ZINC000880928785 653717410 /nfs/dbraw/zinc/71/74/10/653717410.db2.gz WTJFJPAVZVZXHW-CYBMUJFWSA-N 0 0 375.372 2.038 20 30 GEEDRN C#CCCN1CCN(C(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000786041739 653717884 /nfs/dbraw/zinc/71/78/84/653717884.db2.gz VZYQHSJKGPUJJY-UHFFFAOYSA-N 0 0 381.270 2.247 20 30 GEEDRN C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CCC(C)(C)S(C)(=O)=O ZINC000841475701 653718663 /nfs/dbraw/zinc/71/86/63/653718663.db2.gz 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30 GEEDRN C=C[C@@](C)(O)c1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000881333057 653727151 /nfs/dbraw/zinc/72/71/51/653727151.db2.gz HMZZGJCLASENRQ-XJKSGUPXSA-N 0 0 377.242 2.412 20 30 GEEDRN C=CCC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841525028 653727228 /nfs/dbraw/zinc/72/72/28/653727228.db2.gz TXSWBIDFKJXMON-JTQLQIEISA-N 0 0 379.837 2.261 20 30 GEEDRN C=CCN1CC[C@H](n2cc([C@@](C)(O)c3ccccc3Br)nn2)C1=O ZINC000881336482 653727350 /nfs/dbraw/zinc/72/73/50/653727350.db2.gz QRMFLXVDQPAMPU-YOEHRIQHSA-N 0 0 391.269 2.256 20 30 GEEDRN C#C[C@H]1COCCN1S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000841549031 653731382 /nfs/dbraw/zinc/73/13/82/653731382.db2.gz ZVURDQZFDOPKRK-JTQLQIEISA-N 0 0 394.674 2.134 20 30 GEEDRN N#Cc1ccc(COC(=O)[C@H]2COCCN2CC(F)F)c(Br)c1 ZINC000786947108 653731768 /nfs/dbraw/zinc/73/17/68/653731768.db2.gz NCOVTRBVHCULTP-CYBMUJFWSA-N 0 0 389.196 2.330 20 30 GEEDRN CN(C[C@@H](O)c1cccc(Br)c1)S(=O)(=O)CC1(CC#N)CC1 ZINC000841556309 653732791 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/nfs/dbraw/zinc/32/12/88/601321288.db2.gz GJGMIVMUDHAUJS-WMZOPIPTSA-N 0 0 383.452 2.397 20 30 GEEDRN C=CCn1c(CC[NH+]2CCCCC2)nn(CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825710806 601816155 /nfs/dbraw/zinc/81/61/55/601816155.db2.gz BPTAJXLNZDRHIT-JKSUJKDBSA-N 0 0 393.557 2.238 20 30 GEEDRN CN(C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1)C(=O)[O-] ZINC000739666643 602533561 /nfs/dbraw/zinc/53/35/61/602533561.db2.gz UMBGNOFAIBXSJI-LBPRGKRZSA-N 0 0 376.482 2.369 20 30 GEEDRN C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)c1ccc(C#N)cc1 ZINC000824640993 607586457 /nfs/dbraw/zinc/58/64/57/607586457.db2.gz QSAHYFLYYWEJDZ-JTQLQIEISA-N 0 0 388.840 2.431 20 30 GEEDRN COc1ccc(COC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1-c1nn[nH]n1 ZINC000826204535 607596656 /nfs/dbraw/zinc/59/66/56/607596656.db2.gz OSKHCBVNNVEPOB-LBPRGKRZSA-N 0 0 379.376 2.258 20 30 GEEDRN COc1ccc(COC(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)cc1C#N ZINC000826204517 607600204 /nfs/dbraw/zinc/60/02/04/607600204.db2.gz NVEWTKWAQQPZRA-GFCCVEGCSA-N 0 0 379.376 2.258 20 30 GEEDRN Cc1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000826255462 607603650 /nfs/dbraw/zinc/60/36/50/607603650.db2.gz YSHSSSQYSRHPRW-UHFFFAOYSA-N 0 0 375.797 2.468 20 30 GEEDRN C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCN(C(=O)[O-])CC1 ZINC000828168242 603993845 /nfs/dbraw/zinc/99/38/45/603993845.db2.gz GCXOKUIDNFITSR-OAHLLOKOSA-N 0 0 379.420 2.298 20 30 GEEDRN N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000826385403 607672348 /nfs/dbraw/zinc/67/23/48/607672348.db2.gz KOYQVVORAWGBMY-UHFFFAOYSA-N 0 0 379.760 2.299 20 30 GEEDRN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828030951 604187223 /nfs/dbraw/zinc/18/72/23/604187223.db2.gz MKFKBMASCWFDHL-ZWKOTPCHSA-N 0 0 387.484 2.068 20 30 GEEDRN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828030945 604187258 /nfs/dbraw/zinc/18/72/58/604187258.db2.gz MKFKBMASCWFDHL-QZTJIDSGSA-N 0 0 387.484 2.068 20 30 GEEDRN C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](NC(=O)[O-])C3)sc2C1 ZINC000739112708 604430631 /nfs/dbraw/zinc/43/06/31/604430631.db2.gz GZFZWVYPUPKXJD-VXGBXAGGSA-N 0 0 376.482 2.415 20 30 GEEDRN CCOc1ccnc(N2CCC[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)n1 ZINC000830117215 604682142 /nfs/dbraw/zinc/68/21/42/604682142.db2.gz UFSJUVLXBBWBJM-SFHVURJKSA-N 0 0 381.436 2.085 20 30 GEEDRN C=CCNC(=S)C(C(=O)c1cccc(C(=O)[O-])c1)[n+]1ccc(N(C)C)cc1 ZINC000833376662 604741931 /nfs/dbraw/zinc/74/19/31/604741931.db2.gz NNMBMPQKADTNSJ-UHFFFAOYSA-O 0 0 384.481 2.205 20 30 GEEDRN Cc1ccc2c(n1)c(=O)c(C#N)cn2CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826295178 607717113 /nfs/dbraw/zinc/71/71/13/607717113.db2.gz VEHMKXPLHHNIPP-UHFFFAOYSA-N 0 0 387.403 2.226 20 30 GEEDRN COC(=O)c1cc(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC000833715695 605124943 /nfs/dbraw/zinc/12/49/43/605124943.db2.gz YOFAERHTIPEDPJ-GFCCVEGCSA-N 0 0 381.388 2.332 20 30 GEEDRN C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC000833377724 605186751 /nfs/dbraw/zinc/18/67/51/605186751.db2.gz AFQDQZRTADYJLP-HNNXBMFYSA-N 0 0 377.510 2.384 20 30 GEEDRN O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000834025568 605519270 /nfs/dbraw/zinc/51/92/70/605519270.db2.gz FLKICIMSOOBTHW-HKUYNNGSSA-N 0 0 387.455 2.148 20 30 GEEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C ZINC000445601538 649962840 /nfs/dbraw/zinc/96/28/40/649962840.db2.gz SDLQHPCXYOHRBD-JTQLQIEISA-N 0 0 378.856 2.358 20 30 GEEDRN Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000822655727 606219023 /nfs/dbraw/zinc/21/90/23/606219023.db2.gz VMEUCISPMRHQCH-UHFFFAOYSA-N 0 0 390.432 2.376 20 30 GEEDRN CCOc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821418327 606246660 /nfs/dbraw/zinc/24/66/60/606246660.db2.gz ZTQKUGHVDMFASK-CYBMUJFWSA-N 0 0 395.448 2.416 20 30 GEEDRN Cc1nn(-c2ccc(-c3nn[nH]n3)cc2)c(NC(=O)c2cc(C#N)cn2C)c1C ZINC000822482761 606256914 /nfs/dbraw/zinc/25/69/14/606256914.db2.gz ZXPYAFOBBDTDGF-UHFFFAOYSA-N 0 0 387.407 2.132 20 30 GEEDRN N#Cc1ccccc1Sc1ccc(C(=O)n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000822842440 606262739 /nfs/dbraw/zinc/26/27/39/606262739.db2.gz IJWORBPMBUQFCH-UHFFFAOYSA-N 0 0 388.416 2.357 20 30 GEEDRN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000822801190 606300888 /nfs/dbraw/zinc/30/08/88/606300888.db2.gz GJYVERXEJQTWTP-BBRMVZONSA-N 0 0 375.392 2.476 20 30 GEEDRN N#C[C@@H]1CCC[C@H]1NC(=O)c1occc1COc1cccc(-c2nn[nH]n2)c1 ZINC000822805983 606301534 /nfs/dbraw/zinc/30/15/34/606301534.db2.gz HQDCTGLXJXAPLF-XJKSGUPXSA-N 0 0 378.392 2.461 20 30 GEEDRN C=CCN=c1scc(-c2cnn(C)c2)n1N=Cc1cc(-c2nn[nH]n2)cs1 ZINC000819751067 606327268 /nfs/dbraw/zinc/32/72/68/606327268.db2.gz OFHFIUUZXXKQBO-UHFFFAOYSA-N 0 0 397.493 2.161 20 30 GEEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822801597 606433085 /nfs/dbraw/zinc/43/30/85/606433085.db2.gz KRZWCAGXVKDIIC-MSOLQXFVSA-N 0 0 394.460 2.327 20 30 GEEDRN CN(CCCc1[nH]nc(N)c1C#N)c1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC000821601598 606443448 /nfs/dbraw/zinc/44/34/48/606443448.db2.gz PUMPVSOPCXUUOZ-UHFFFAOYSA-N 0 0 391.361 2.131 20 30 GEEDRN Cc1nnc(NC2CCN(c3ccccc3C#N)CC2)c(-c2nn[nH]n2)c1C ZINC000822515833 606481305 /nfs/dbraw/zinc/48/13/05/606481305.db2.gz QMJYPIAZCIVWCD-UHFFFAOYSA-N 0 0 375.440 2.226 20 30 GEEDRN N#Cc1ccc(C(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)s1 ZINC000822822885 606526890 /nfs/dbraw/zinc/52/68/90/606526890.db2.gz GQVNKSICRXUPRU-UHFFFAOYSA-N 0 0 379.449 2.152 20 30 GEEDRN CCNc1ccc(-c2nn[nH]n2)cc1NCC(=O)Nc1ccc(CC#N)cc1 ZINC000821308907 606599833 /nfs/dbraw/zinc/59/98/33/606599833.db2.gz HQLWTWGIBQWSDA-UHFFFAOYSA-N 0 0 376.424 2.415 20 30 GEEDRN C[C@H](Nc1ccn(CCC#N)n1)C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000820461393 606655752 /nfs/dbraw/zinc/65/57/52/606655752.db2.gz JDGYFEFVQGDGGT-JTQLQIEISA-N 0 0 385.819 2.069 20 30 GEEDRN N#C[C@@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000822802254 606708919 /nfs/dbraw/zinc/70/89/19/606708919.db2.gz YEHODWCHPFOIRA-IBGZPJMESA-N 0 0 377.427 2.388 20 30 GEEDRN N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000822802255 606709002 /nfs/dbraw/zinc/70/90/02/606709002.db2.gz YEHODWCHPFOIRA-LJQANCHMSA-N 0 0 377.427 2.388 20 30 GEEDRN N#Cc1ccccc1N1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000822842495 606715441 /nfs/dbraw/zinc/71/54/41/606715441.db2.gz KZSFGSNTQUTROH-UHFFFAOYSA-N 0 0 391.395 2.122 20 30 GEEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)c1sccc1OC ZINC000819745461 606731760 /nfs/dbraw/zinc/73/17/60/606731760.db2.gz DWECGTJNHDMFLF-UHFFFAOYSA-N 0 0 391.478 2.314 20 30 GEEDRN COC(=O)[C@@H](OC(=O)c1c(F)cc(C#N)cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000821648143 606755649 /nfs/dbraw/zinc/75/56/49/606755649.db2.gz BYGROCPUBUZIOA-HNNXBMFYSA-N 0 0 399.313 2.088 20 30 GEEDRN C=C(C)COCCNc1c(-c2nn[nH]n2)cnc2ccc(OC(F)F)cc21 ZINC000819722956 606790991 /nfs/dbraw/zinc/79/09/91/606790991.db2.gz SIZFOPXLXXMOMI-UHFFFAOYSA-N 0 0 376.367 2.443 20 30 GEEDRN C(=NOCCCOc1cccc(-c2nn[nH]n2)c1)c1ccc(-n2cncn2)cc1 ZINC000819718582 606836718 /nfs/dbraw/zinc/83/67/18/606836718.db2.gz KRPOQIJVLBYMJL-UHFFFAOYSA-N 0 0 390.407 2.267 20 30 GEEDRN O=C(C=NOCCCOc1cccc(-c2nn[nH]n2)c1)Nc1cccc(F)c1 ZINC000822934655 606837834 /nfs/dbraw/zinc/83/78/34/606837834.db2.gz AWERRWQNXPPXRV-UHFFFAOYSA-N 0 0 384.371 2.416 20 30 GEEDRN C=CC[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccncc1 ZINC000819733709 606891437 /nfs/dbraw/zinc/89/14/37/606891437.db2.gz AONFRODXFKAMIK-AWEZNQCLSA-N 0 0 392.391 2.136 20 30 GEEDRN N#Cc1cc(C(F)(F)F)ccc1NCCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000822819559 606910204 /nfs/dbraw/zinc/91/02/04/606910204.db2.gz VYQQSODNUFNCLL-UHFFFAOYSA-N 0 0 377.334 2.107 20 30 GEEDRN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc(CC#N)ccn1 ZINC000820032665 606944950 /nfs/dbraw/zinc/94/49/50/606944950.db2.gz PLPDOXYOYNEKDZ-KRWDZBQOSA-N 0 0 377.408 2.370 20 30 GEEDRN COC(=O)C[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000821657064 606952216 /nfs/dbraw/zinc/95/22/16/606952216.db2.gz GSXGOGOKHGPUCN-GXFFZTMASA-N 0 0 396.432 2.366 20 30 GEEDRN C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc(-n2ccnn2)c1 ZINC000823914355 607888349 /nfs/dbraw/zinc/88/83/49/607888349.db2.gz HHBBIOWMCXYSHL-UHFFFAOYSA-N 0 0 386.419 2.276 20 30 GEEDRN C=CCNc1nnc(SCc2cccc(C(=O)OC)c2-c2nn[nH]n2)s1 ZINC000823925500 607892183 /nfs/dbraw/zinc/89/21/83/607892183.db2.gz LEGLBACNDYYJTA-UHFFFAOYSA-N 0 0 389.466 2.395 20 30 GEEDRN COc1ccc(CON=Cc2ccc(-n3cncn3)cc2)cc1-c1nn[nH]n1 ZINC000826206821 607972231 /nfs/dbraw/zinc/97/22/31/607972231.db2.gz MPJCZFKCPLXLBY-UHFFFAOYSA-N 0 0 376.380 2.007 20 30 GEEDRN C[C@H](OC(=O)c1ccc(CC#N)cc1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000824723566 607978511 /nfs/dbraw/zinc/97/85/11/607978511.db2.gz SCESINWMTQPZCQ-LBPRGKRZSA-N 0 0 376.376 2.117 20 30 GEEDRN C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823878170 608066175 /nfs/dbraw/zinc/06/61/75/608066175.db2.gz RYKBDQSUHCOLKA-YJBOKZPZSA-N 0 0 384.484 2.053 20 30 GEEDRN C=CCNc1ncc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)s1 ZINC000823925523 608080719 /nfs/dbraw/zinc/08/07/19/608080719.db2.gz LGRQXFISOVERFC-CQSZACIVSA-N 0 0 397.464 2.135 20 30 GEEDRN COCCOc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000826162910 608139378 /nfs/dbraw/zinc/13/93/78/608139378.db2.gz XQYRXATXEFPXDS-CLFYSBASSA-N 0 0 390.403 2.415 20 30 GEEDRN CCn1c(NC(=O)COc2cccc(-c3nn[nH]n3)c2)nc2cc(C#N)ccc21 ZINC000825793042 608174358 /nfs/dbraw/zinc/17/43/58/608174358.db2.gz KJUQXXRRDXFGBF-UHFFFAOYSA-N 0 0 388.391 2.125 20 30 GEEDRN N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc(-c4nn[nH]n4)cs3)n2)c1 ZINC000826386387 608190187 /nfs/dbraw/zinc/19/01/87/608190187.db2.gz BSFKXGYMEOVTBR-UHFFFAOYSA-N 0 0 376.405 2.120 20 30 GEEDRN C[C@H]1CC(NC(=O)c2ccc(OCc3ccccc3-c3nn[nH]n3)cc2)=NO1 ZINC000824893346 608207913 /nfs/dbraw/zinc/20/79/13/608207913.db2.gz QASNHICCHXRMMY-LBPRGKRZSA-N 0 0 378.392 2.298 20 30 GEEDRN CCOc1ccc(N(CCC#N)C(=O)CNc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000825638339 608223058 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608875844 /nfs/dbraw/zinc/87/58/44/608875844.db2.gz WUTODTSCAMUOAN-VQHVLOKHSA-N 0 0 395.394 2.369 20 30 GEEDRN C#CCCCCCC(=O)O[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000823840770 609134996 /nfs/dbraw/zinc/13/49/96/609134996.db2.gz FMCJKJKEQDNYQO-QGZVFWFLSA-N 0 0 381.436 2.489 20 30 GEEDRN CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OCC1(C#N)CCOCC1 ZINC000824206809 609156287 /nfs/dbraw/zinc/15/62/87/609156287.db2.gz JHBXFEVTYNUBIR-MRXNPFEDSA-N 0 0 385.424 2.134 20 30 GEEDRN CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823953723 609157199 /nfs/dbraw/zinc/15/71/99/609157199.db2.gz NDESIWVKEADTOX-UHFFFAOYSA-N 0 0 388.428 2.325 20 30 GEEDRN Cc1cc(C(=O)N(CCC#N)CC2CC2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826257844 609162166 /nfs/dbraw/zinc/16/21/66/609162166.db2.gz QFSSLTPEULNSOZ-UHFFFAOYSA-N 0 0 376.424 2.127 20 30 GEEDRN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cc1ccccc1CC#N ZINC000826158338 609163039 /nfs/dbraw/zinc/16/30/39/609163039.db2.gz LFCAYJIEWNDPDC-UHFFFAOYSA-N 0 0 390.447 2.150 20 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397.446 2.317 20 30 GEEDRN N#Cc1c(F)cccc1OS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826383940 609561223 /nfs/dbraw/zinc/56/12/23/609561223.db2.gz YPFIBVLUIZKCSA-UHFFFAOYSA-N 0 0 379.760 2.299 20 30 GEEDRN Cc1cc(C(=O)Nc2cc(CC#N)ccn2)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826260257 609596040 /nfs/dbraw/zinc/59/60/40/609596040.db2.gz DNVZRYDRLDBXDO-UHFFFAOYSA-N 0 0 385.391 2.074 20 30 GEEDRN CCN(CCC#N)C(=O)C(=O)Nc1cc(OC)c(OC)cc1Br ZINC000446879540 649990138 /nfs/dbraw/zinc/99/01/38/649990138.db2.gz PKPOXXYFYUNHIY-UHFFFAOYSA-N 0 0 384.230 2.167 20 30 GEEDRN COc1cc(C(=O)N[C@H](C#N)c2ccccc2Cl)sc1S(N)(=O)=O ZINC000446927716 649990683 /nfs/dbraw/zinc/99/06/83/649990683.db2.gz CLHPYJFJIHOQOT-SNVBAGLBSA-N 0 0 385.854 2.052 20 30 GEEDRN C=CCCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000447872317 650010142 /nfs/dbraw/zinc/01/01/42/650010142.db2.gz DIHQDVHJCHIVGK-UHFFFAOYSA-N 0 0 386.539 2.496 20 30 GEEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(C)cc2C)CC1 ZINC000448619371 650018194 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CNC(=O)C1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449810429 650051149 /nfs/dbraw/zinc/05/11/49/650051149.db2.gz LVDODEACMBYTFT-UHFFFAOYSA-N 0 0 394.269 2.121 20 30 GEEDRN CCc1nc(CCNC(=O)COc2ccc(C#N)c(Br)c2)no1 ZINC000449846667 650053719 /nfs/dbraw/zinc/05/37/19/650053719.db2.gz ZXKDDQBTVGKOBC-UHFFFAOYSA-N 0 0 379.214 2.004 20 30 GEEDRN CN(CCNC(=O)COc1cccc(Br)c1C#N)CC(F)(F)F ZINC000449858260 650054028 /nfs/dbraw/zinc/05/40/28/650054028.db2.gz UBTZKQRRYFSOHS-UHFFFAOYSA-N 0 0 394.191 2.310 20 30 GEEDRN N#Cc1ccc(OCC(=O)NCC[C@H](O)C(F)(F)F)cc1Br ZINC000449940045 650056531 /nfs/dbraw/zinc/05/65/31/650056531.db2.gz PSQFURLCVSSDQS-NSHDSACASA-N 0 0 381.148 2.129 20 30 GEEDRN N#Cc1ccc(OCC(=O)NCC[C@@H](O)C(F)(F)F)cc1Br ZINC000449940044 650056560 /nfs/dbraw/zinc/05/65/60/650056560.db2.gz PSQFURLCVSSDQS-LLVKDONJSA-N 0 0 381.148 2.129 20 30 GEEDRN N#Cc1c(Br)cccc1OCC(=O)N1CC(OCC(F)F)C1 ZINC000450033688 650058980 /nfs/dbraw/zinc/05/89/80/650058980.db2.gz HSFLUYXMJOIXRS-UHFFFAOYSA-N 0 0 375.169 2.192 20 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CVBKCTMRELFQDA-AWEZNQCLSA-N 0 0 383.470 2.163 20 30 GEEDRN C=C(C)COCCNS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 ZINC000451318481 650103541 /nfs/dbraw/zinc/10/35/41/650103541.db2.gz XIBHJHPEYAYKQX-UHFFFAOYSA-N 0 0 378.397 2.067 20 30 GEEDRN C[C@H]1OCC[C@@]12CN(C(=O)COc1cccc(Br)c1C#N)CCO2 ZINC000451326463 650103796 /nfs/dbraw/zinc/10/37/96/650103796.db2.gz DGNDELAXTLYKDB-SJKOYZFVSA-N 0 0 395.253 2.106 20 30 GEEDRN C[C@H]1OCC[C@]12CN(C(=O)COc1cccc(Br)c1C#N)CCO2 ZINC000451326461 650103877 /nfs/dbraw/zinc/10/38/77/650103877.db2.gz DGNDELAXTLYKDB-PXAZEXFGSA-N 0 0 395.253 2.106 20 30 GEEDRN CC(C)CN1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)[C@@H](C)C1=O ZINC000451420961 650112279 /nfs/dbraw/zinc/11/22/79/650112279.db2.gz NQCYMFMEJDTVMY-ZDUSSCGKSA-N 0 0 383.901 2.283 20 30 GEEDRN CCOC(=O)[C@H](Cc1ccccc1Cl)NS(=O)(=O)CC1(CC#N)CC1 ZINC000451421724 650112680 /nfs/dbraw/zinc/11/26/80/650112680.db2.gz SKWJRWUPSVWWNR-HNNXBMFYSA-N 0 0 384.885 2.427 20 30 GEEDRN C=C[C@@H]1OCC[C@H]1C(=O)NCCOc1ccc(I)cc1 ZINC000451511847 650122344 /nfs/dbraw/zinc/12/23/44/650122344.db2.gz ZLZXEPAMLZBMFX-KGLIPLIRSA-N 0 0 387.217 2.377 20 30 GEEDRN CCOC[C@H](C)CS(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000451474676 650119029 /nfs/dbraw/zinc/11/90/29/650119029.db2.gz ZGVSTTZXEMACIZ-AWEZNQCLSA-N 0 0 385.917 2.336 20 30 GEEDRN COCCO[C@H]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000451488102 650120090 /nfs/dbraw/zinc/12/00/90/650120090.db2.gz COZVNKNZKFXPBY-HNNXBMFYSA-N 0 0 397.269 2.354 20 30 GEEDRN C[C@@H]1CSC[C@H]1NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451531864 650123691 /nfs/dbraw/zinc/12/36/91/650123691.db2.gz SHYLIGWMPORFOL-RDDDGLTNSA-N 0 0 379.276 2.490 20 30 GEEDRN C[C@H]1CSC[C@@H]1NS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451531862 650123800 /nfs/dbraw/zinc/12/38/00/650123800.db2.gz SHYLIGWMPORFOL-CPCISQLKSA-N 0 0 379.276 2.490 20 30 GEEDRN Cc1cc(CNC(=O)COc2ccc(C#N)c(Br)c2)nc(C)n1 ZINC000451547324 650124363 /nfs/dbraw/zinc/12/43/63/650124363.db2.gz CJGUNJAIMKGEGE-UHFFFAOYSA-N 0 0 375.226 2.423 20 30 GEEDRN C=CCN(CCC#N)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F ZINC000451569304 650126096 /nfs/dbraw/zinc/12/60/96/650126096.db2.gz RFGVVGYTZGTPAU-UHFFFAOYSA-N 0 0 389.474 2.068 20 30 GEEDRN CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451694366 650133675 /nfs/dbraw/zinc/13/36/75/650133675.db2.gz BMPSWOVUAWATFO-TVQRCGJNSA-N 0 0 391.262 2.241 20 30 GEEDRN CS(=O)(=O)C[C@@H]1CCCCN1CC(=O)Nc1ccccc1SCC#N ZINC000451652533 650129115 /nfs/dbraw/zinc/12/91/15/650129115.db2.gz POTYHVLLRJWTDI-AWEZNQCLSA-N 0 0 381.523 2.140 20 30 GEEDRN CC[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@H](O)C(F)F ZINC000451704450 650134622 /nfs/dbraw/zinc/13/46/22/650134622.db2.gz CQYKIQLOIUNHGI-QWRGUYRKSA-N 0 0 383.214 2.004 20 30 GEEDRN C=C(C)CS(=O)(=O)N1Cc2cccc(Br)c2C[C@H]1C(=O)OC ZINC000451734825 650137298 /nfs/dbraw/zinc/13/72/98/650137298.db2.gz CTPYHKAUJJKXJN-AWEZNQCLSA-N 0 0 388.283 2.255 20 30 GEEDRN COCC1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCOCC1 ZINC000451936471 650155264 /nfs/dbraw/zinc/15/52/64/650155264.db2.gz 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SFHKVFNMMZXZEH-UHFFFAOYSA-N 0 0 376.766 2.103 20 30 GEEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000800057717 654126508 /nfs/dbraw/zinc/12/65/08/654126508.db2.gz BFABMGGTKBKWTQ-HZMBPMFUSA-N 0 0 380.297 2.343 20 30 GEEDRN Cn1nc2c(c1/C=C\C(=O)c1cccc(NS(C)(=O)=O)c1)CSCC2 ZINC000901472881 654126619 /nfs/dbraw/zinc/12/66/19/654126619.db2.gz TXXJZEOBEVTDNG-SREVYHEPSA-N 0 0 377.491 2.477 20 30 GEEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000800057718 654126777 /nfs/dbraw/zinc/12/67/77/654126777.db2.gz BFABMGGTKBKWTQ-IINYFYTJSA-N 0 0 380.297 2.343 20 30 GEEDRN CC[C@@]1(C)NC(=O)N(N=Cc2cc(Br)c3c(c2)OCCO3)C1=O ZINC000917542420 654127553 /nfs/dbraw/zinc/12/75/53/654127553.db2.gz WSTWUZNWYSCOQO-OAHLLOKOSA-N 0 0 382.214 2.275 20 30 GEEDRN CN(C)C(=O)CN(CC(F)(F)F)C(=O)CSc1cccc(F)c1C#N ZINC000901549891 654130471 /nfs/dbraw/zinc/13/04/71/654130471.db2.gz UNKBQVFJCZYWQE-UHFFFAOYSA-N 0 0 377.363 2.269 20 30 GEEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000800128413 654131127 /nfs/dbraw/zinc/13/11/27/654131127.db2.gz ILVJUCDQIBOQQU-IINYFYTJSA-N 0 0 380.297 2.343 20 30 GEEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)C[C@H](C)n1cc(Br)cn1 ZINC000830664127 654133534 /nfs/dbraw/zinc/13/35/34/654133534.db2.gz GKWBXHBPSDATCD-RYUDHWBXSA-N 0 0 385.262 2.148 20 30 GEEDRN COC(=O)C1=C(C(=O)C2CC2)[C@H](c2ccc(Br)cc2)NC(=S)N1 ZINC000917883583 654137289 /nfs/dbraw/zinc/13/72/89/654137289.db2.gz UOJARFLTBICFII-LBPRGKRZSA-N 0 0 395.278 2.374 20 30 GEEDRN C=C(Cl)C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1CC)C(=O)OCC ZINC000870029230 654139644 /nfs/dbraw/zinc/13/96/44/654139644.db2.gz PEIGMIIAKHFMOX-HNNXBMFYSA-N 0 0 387.885 2.457 20 30 GEEDRN C[C@@H](C(=O)OCC#Cc1ccc(Br)cn1)n1nnnc1C(C)(C)C ZINC000851276262 654142334 /nfs/dbraw/zinc/14/23/34/654142334.db2.gz JLCLFXFGUQPMTP-NSHDSACASA-N 0 0 392.257 2.284 20 30 GEEDRN CC(C)n1ncc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1Br ZINC000870080128 654143482 /nfs/dbraw/zinc/14/34/82/654143482.db2.gz FOGRVUNHPCBHBG-OAHLLOKOSA-N 0 0 385.262 2.438 20 30 GEEDRN N#Cc1ccc(N2CCN(C(=O)CCn3cc(Br)cn3)CC2)cc1 ZINC000870094772 654144421 /nfs/dbraw/zinc/14/44/21/654144421.db2.gz WBDNOKUXKAJVFW-UHFFFAOYSA-N 0 0 388.269 2.256 20 30 GEEDRN CC(C)N(C)S(=O)(=O)Nc1ccc(C#N)cc1I ZINC000901739849 654145346 /nfs/dbraw/zinc/14/53/46/654145346.db2.gz ZGSJRLVVMSRJTB-UHFFFAOYSA-N 0 0 379.223 2.160 20 30 GEEDRN N#CC[C@@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C(F)(F)F ZINC000901769166 654147716 /nfs/dbraw/zinc/14/77/16/654147716.db2.gz FIGUKWIIAGBSOM-SECBINFHSA-N 0 0 389.277 2.310 20 30 GEEDRN C=CCOC[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C(=O)[O-] ZINC000901811180 654149688 /nfs/dbraw/zinc/14/96/88/654149688.db2.gz QAZWNUXSRWCLFD-HNNXBMFYSA-N 0 0 380.242 2.380 20 30 GEEDRN COC[C@@](C)(C#N)NC(=O)c1cnc(Br)c(Br)c1 ZINC000889638150 654153543 /nfs/dbraw/zinc/15/35/43/654153543.db2.gz TVPSOAMGKGVJQK-LLVKDONJSA-N 0 0 377.036 2.265 20 30 GEEDRN C=CCCCC(=O)N1CCN(c2ncc(I)cn2)CC1 ZINC000870261432 654155592 /nfs/dbraw/zinc/15/55/92/654155592.db2.gz JMKYOKIOQSIALV-UHFFFAOYSA-N 0 0 386.237 2.086 20 30 GEEDRN Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000800746351 654157624 /nfs/dbraw/zinc/15/76/24/654157624.db2.gz SPEUFUSXNLPWJM-ZDUSSCGKSA-N 0 0 387.285 2.421 20 30 GEEDRN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC000800783796 654157947 /nfs/dbraw/zinc/15/79/47/654157947.db2.gz MHCMFXGQCHSVTR-ZDUSSCGKSA-N 0 0 381.889 2.193 20 30 GEEDRN C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000800783795 654158023 /nfs/dbraw/zinc/15/80/23/654158023.db2.gz MHCMFXGQCHSVTR-CYBMUJFWSA-N 0 0 381.889 2.193 20 30 GEEDRN COC(=O)c1cc(CN=Nc2nc(Br)cn3ccnc23)n(C)c1C ZINC000800814373 654158373 /nfs/dbraw/zinc/15/83/73/654158373.db2.gz UNOHBMAIHSOFDL-UHFFFAOYSA-N 0 0 391.229 2.371 20 30 GEEDRN Cc1scc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1C ZINC000870292455 654159675 /nfs/dbraw/zinc/15/96/75/654159675.db2.gz GHCFKBCOFFIPKA-UHFFFAOYSA-N 0 0 377.491 2.110 20 30 GEEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2C[C@@H](OCC(F)F)C2)c1 ZINC000851518631 654161091 /nfs/dbraw/zinc/16/10/91/654161091.db2.gz NEBJYZVQUOETDN-BETUJISGSA-N 0 0 375.393 2.120 20 30 GEEDRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000918766861 654161826 /nfs/dbraw/zinc/16/18/26/654161826.db2.gz BSMGZMOFIBYVNT-DGCLKSJQSA-N 0 0 385.511 2.437 20 30 GEEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ncc(Br)cn1 ZINC000889719845 654163387 /nfs/dbraw/zinc/16/33/87/654163387.db2.gz JVJMDMHXQBXNCJ-UHFFFAOYSA-N 0 0 391.273 2.215 20 30 GEEDRN CCN(C[C@H](C)C#N)C(=O)CNc1cc(Br)cc2c1NC(=O)CO2 ZINC000902144588 654165832 /nfs/dbraw/zinc/16/58/32/654165832.db2.gz XQVANHDMSFXEGO-SNVBAGLBSA-N 0 0 395.257 2.200 20 30 GEEDRN C[C@H](CC#N)N(C)S(=O)(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000800916248 654166163 /nfs/dbraw/zinc/16/61/63/654166163.db2.gz ZOJANBFJQOOIKI-MFKMUULPSA-N 0 0 399.822 2.158 20 30 GEEDRN C=C[C@@H](OC(=O)c1cnn(C(C)C)c1I)C(=O)OCC ZINC000870444578 654174688 /nfs/dbraw/zinc/17/46/88/654174688.db2.gz KZWXJWFKLKFHKX-SNVBAGLBSA-N 0 0 392.193 2.343 20 30 GEEDRN Cn1nc(Cn2cc(C#N)c(I)n2)cc1C(F)(F)F ZINC000902444084 654177967 /nfs/dbraw/zinc/17/79/67/654177967.db2.gz NTGPZWKREBZDRX-UHFFFAOYSA-N 0 0 381.099 2.160 20 30 GEEDRN C#CCCN1CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)s2)C(C)C)CC1 ZINC000801145345 654179189 /nfs/dbraw/zinc/17/91/89/654179189.db2.gz REWSHCXJUZGASB-MRXNPFEDSA-N 0 0 381.929 2.323 20 30 GEEDRN C#CCO[C@H](C)C(=O)N(CCNC(C)=O)Cc1ccc(Br)s1 ZINC000831344489 654179578 /nfs/dbraw/zinc/17/95/78/654179578.db2.gz VEEJRWWNSBUSCL-LLVKDONJSA-N 0 0 387.299 2.014 20 30 GEEDRN CN1CC[C@@](C)(COC(=O)COc2ccc(C#N)c(Br)c2)C1=O ZINC000870518164 654179961 /nfs/dbraw/zinc/17/99/61/654179961.db2.gz DPKHOSGGCKRAJF-INIZCTEOSA-N 0 0 381.226 2.111 20 30 GEEDRN CCN([C@H](C)C#N)S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000851823779 654183601 /nfs/dbraw/zinc/18/36/01/654183601.db2.gz NVLYYBMTAVOGDA-MRVPVSSYSA-N 0 0 393.234 2.297 20 30 GEEDRN CCN([C@H](C)C#N)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000851824345 654184135 /nfs/dbraw/zinc/18/41/35/654184135.db2.gz YAUIPMYPPDARSE-SSDOTTSWSA-N 0 0 380.195 2.419 20 30 GEEDRN C#C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CCOCC1 ZINC000851828404 654185249 /nfs/dbraw/zinc/18/52/49/654185249.db2.gz BJZKBQDTFKLXBX-OAHLLOKOSA-N 0 0 383.267 2.027 20 30 GEEDRN CCS(=O)(=O)c1ccc2oc(=S)n(CN3CCO[C@](C)(C#N)C3)c2c1 ZINC000902588954 654186083 /nfs/dbraw/zinc/18/60/83/654186083.db2.gz AEHQVTJBUXMHJM-MRXNPFEDSA-N 0 0 381.479 2.329 20 30 GEEDRN Cc1nc(CS(=O)(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cs1 ZINC000919628405 654187406 /nfs/dbraw/zinc/18/74/06/654187406.db2.gz SAQFHDUXJWPFBM-KRWDZBQOSA-N 0 0 376.507 2.364 20 30 GEEDRN CC(C)(C)OC(=O)N1CC2CC1(CNS(=O)(=O)c1ccsc1C#N)C2 ZINC000851838645 654189034 /nfs/dbraw/zinc/18/90/34/654189034.db2.gz MODFXEZVTICUIO-UHFFFAOYSA-N 0 0 383.495 2.298 20 30 GEEDRN C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000890192611 654202568 /nfs/dbraw/zinc/20/25/68/654202568.db2.gz DRVVRRLSKXBVHG-UKRRQHHQSA-N 0 0 396.285 2.329 20 30 GEEDRN C=C(C)C[C@@H](CO)NC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000890192612 654202585 /nfs/dbraw/zinc/20/25/85/654202585.db2.gz DRVVRRLSKXBVHG-ZFWWWQNUSA-N 0 0 396.285 2.329 20 30 GEEDRN COC(=O)C[C@@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@H]1C ZINC000902910812 654203347 /nfs/dbraw/zinc/20/33/47/654203347.db2.gz PCOJNQVNBHYDPA-NXEZZACHSA-N 0 0 381.230 2.379 20 30 GEEDRN C#C[C@@H](NS(=O)(=O)N(CC)C[C@@H](C)C#N)c1ccc(Br)cc1 ZINC000831734428 654204509 /nfs/dbraw/zinc/20/45/09/654204509.db2.gz VNWNDVCWHCETHW-SWLSCSKDSA-N 0 0 384.299 2.439 20 30 GEEDRN C#C[C@@H](NS(=O)(=O)c1cnc2n1CCC2)c1ccc(Br)cc1 ZINC000831734407 654204554 /nfs/dbraw/zinc/20/45/54/654204554.db2.gz VEAAZFJYWDORGA-CYBMUJFWSA-N 0 0 380.267 2.245 20 30 GEEDRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCO[C@@H](C)C#N)c1 ZINC000801810294 654208747 /nfs/dbraw/zinc/20/87/47/654208747.db2.gz HHPBRDJSNIDZTN-LBPRGKRZSA-N 0 0 388.873 2.456 20 30 GEEDRN Cc1c(C(=O)OCCO[C@H](C)C#N)nnn1-c1cccc(Br)c1 ZINC000801828683 654210112 /nfs/dbraw/zinc/21/01/12/654210112.db2.gz HXMMDNVSYDQOFI-SNVBAGLBSA-N 0 0 379.214 2.424 20 30 GEEDRN C[C@@H](C#N)OCCOC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000801839879 654210531 /nfs/dbraw/zinc/21/05/31/654210531.db2.gz ABSUTFWEXQPMTI-NSHDSACASA-N 0 0 379.356 2.037 20 30 GEEDRN C=CCN1C(=S)N=NC1c1sc(NC(=O)CCOCCOC)nc1C ZINC000920342160 654210920 /nfs/dbraw/zinc/21/09/20/654210920.db2.gz XKJICEYROGITDL-UHFFFAOYSA-N 0 0 383.499 2.176 20 30 GEEDRN C[C@@H](C#N)OCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000801912397 654212336 /nfs/dbraw/zinc/21/23/36/654212336.db2.gz PKKVBSTWQKVDPN-LBPRGKRZSA-N 0 0 392.308 2.228 20 30 GEEDRN CCC[C@H](C#N)NS(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000903095148 654216174 /nfs/dbraw/zinc/21/61/74/654216174.db2.gz KWLRBCUXZGKQBA-SNVBAGLBSA-N 0 0 375.244 2.289 20 30 GEEDRN C#CCN1CCC[C@H](NC(=O)N(C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000890363154 654217175 /nfs/dbraw/zinc/21/71/75/654217175.db2.gz 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