smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)OCC#Cc1ccccc1 ZINC000121169966 711488017 /nfs/dbraw/zinc/48/80/17/711488017.db2.gz PVFAMBRYAYFXKL-UHFFFAOYSA-N 0 0 202.253 2.381 10 30 BEEERN C#CCN(C(=O)C1CC(C)C1)C(C)(C)C ZINC000723030570 711496439 /nfs/dbraw/zinc/49/64/39/711496439.db2.gz DCRTWESSYVINPK-UHFFFAOYSA-N 0 0 207.317 2.293 10 30 BEEERN C=CCCOC(=O)c1ccc(-n2cncn2)cc1 ZINC000132143678 711955972 /nfs/dbraw/zinc/95/59/72/711955972.db2.gz KXMSKPKRXNQRON-UHFFFAOYSA-N 0 0 243.266 2.000 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccco1 ZINC000700875082 712009055 /nfs/dbraw/zinc/00/90/55/712009055.db2.gz RESDFRSFANRRER-SKBQGCEYSA-N 0 0 230.267 2.101 10 30 BEEERN C=CC(C)(C)CCNC(=O)n1ccnc1 ZINC000701919075 712032659 /nfs/dbraw/zinc/03/26/59/712032659.db2.gz HPBTYPKZAHZRCR-UHFFFAOYSA-N 0 0 207.277 2.043 10 30 BEEERN N#Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CCC[C@@H]21 ZINC000706880365 712158328 /nfs/dbraw/zinc/15/83/28/712158328.db2.gz FAPKUJXFXSOKIB-CABZTGNLSA-N 0 0 243.266 2.455 10 30 BEEERN CSC1CC(Nc2nnc(C)c(C)c2C#N)C1 ZINC000708288633 712185764 /nfs/dbraw/zinc/18/57/64/712185764.db2.gz HBOYZTIZHFQYFJ-UHFFFAOYSA-N 0 0 248.355 2.271 10 30 BEEERN CC#CCNC(=O)/C=C(\C)c1ccc(OC)cc1 ZINC000121554547 1166151101 /nfs/dbraw/zinc/15/11/01/1166151101.db2.gz MTOPXKWBOCSROC-VAWYXSNFSA-N 0 0 243.306 2.238 10 30 BEEERN Cc1ccc(C[N@H+](C)CCCC(=O)[O-])cc1C#N ZINC000701822959 954888266 /nfs/dbraw/zinc/88/82/66/954888266.db2.gz LHNGLNMVKXRJFU-UHFFFAOYSA-N 0 0 246.310 2.163 10 30 BEEERN C#CC[N@H+](CC(=O)[O-])C[C@H](C)CC(C)(C)C ZINC000709077574 955007460 /nfs/dbraw/zinc/00/74/60/955007460.db2.gz SWHULJVJTZHKCF-LLVKDONJSA-N 0 0 225.332 2.079 10 30 BEEERN C/C(=C/C(=O)OCC1(C#N)CCOCC1)C1CC1 ZINC000588411903 958321419 /nfs/dbraw/zinc/32/14/19/958321419.db2.gz MTSJAZONAQEBGI-FLIBITNWSA-N 0 0 249.310 2.206 10 30 BEEERN Cc1cccnc1/C=C\C(=O)OCCCC#N ZINC000588455186 958580426 /nfs/dbraw/zinc/58/04/26/958580426.db2.gz KRYXRKIKOMGLJV-SREVYHEPSA-N 0 0 230.267 2.250 10 30 BEEERN CC[C@H](CC#N)OC(=O)/C=C\c1cccnc1 ZINC000588558084 959170856 /nfs/dbraw/zinc/17/08/56/959170856.db2.gz SEPRLSQWFOSKPO-FOQNGQEVSA-N 0 0 230.267 2.330 10 30 BEEERN CC/C=C\CCOC(=O)c1ccnc(C#N)c1 ZINC000588616365 959608265 /nfs/dbraw/zinc/60/82/65/959608265.db2.gz QXBNHXNBPLQQJW-ARJAWSKDSA-N 0 0 230.267 2.466 10 30 BEEERN C#CC1CC[NH+](Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000692358482 976432799 /nfs/dbraw/zinc/43/27/99/976432799.db2.gz IXSZWKLCHJWXJX-UHFFFAOYSA-N 0 0 247.294 2.131 10 30 BEEERN C#C[C@@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000701805525 977040841 /nfs/dbraw/zinc/04/08/41/977040841.db2.gz VFSBWYHHIAXAIE-SNVBAGLBSA-N 0 0 249.335 2.292 10 30 BEEERN C=CCCC(C)(C)C[NH2+][C@@H](C(=O)[O-])C1CC1 ZINC000703956416 977211720 /nfs/dbraw/zinc/21/17/20/977211720.db2.gz ZYFRYGMKLPVUJT-LLVKDONJSA-N 0 0 225.332 2.432 10 30 BEEERN C=C[C@H]([NH2+]CC(C1CCC1)C1CCC1)C(=O)[O-] ZINC000704423812 977233223 /nfs/dbraw/zinc/23/32/23/977233223.db2.gz URRKULVQMCJNCR-ZDUSSCGKSA-N 0 0 237.343 2.432 10 30 BEEERN C=CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000704853985 977264968 /nfs/dbraw/zinc/26/49/68/977264968.db2.gz PWZOLHZMVQLZNF-MXWKQRLJSA-N 0 0 211.305 2.184 10 30 BEEERN COc1ccccc1CN[C@H](C)CC#N ZINC000037871122 1170985812 /nfs/dbraw/zinc/98/58/12/1170985812.db2.gz XGRKTABOTDGXPS-SNVBAGLBSA-N 0 0 204.273 2.087 10 30 BEEERN COc1ccccc1CN[C@@H](C)CC#N ZINC000037871121 1170987207 /nfs/dbraw/zinc/98/72/07/1170987207.db2.gz XGRKTABOTDGXPS-JTQLQIEISA-N 0 0 204.273 2.087 10 30 BEEERN CCOC(=O)C#Cc1ccc(CC)s1 ZINC000685953494 538897733 /nfs/dbraw/zinc/89/77/33/538897733.db2.gz NGHUQOOAIDQACI-UHFFFAOYSA-N 0 0 208.282 2.225 10 30 BEEERN C/C=C/C(=O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000685958787 538906401 /nfs/dbraw/zinc/90/64/01/538906401.db2.gz APKNILKEDDFUIY-AATRIKPKSA-N 0 0 239.315 2.435 10 30 BEEERN CCCC(=O)C(=N)[C@H](C)OCc1ccccc1 ZINC000685958774 538906579 /nfs/dbraw/zinc/90/65/79/538906579.db2.gz AFGNOPHHOLHNCD-HJQYBOCKSA-N 0 0 233.311 2.064 10 30 BEEERN CC(C#CC(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000685952527 538896566 /nfs/dbraw/zinc/89/65/66/538896566.db2.gz AKNPBMRXBLHKRC-WDEREUQCSA-N 0 0 224.300 2.147 10 30 BEEERN COC(=O)[C@H]1OC12CCC1(CCCC1)CC2 ZINC000161495014 538915787 /nfs/dbraw/zinc/91/57/87/538915787.db2.gz KUUAJHDPAUWDBK-SNVBAGLBSA-N 0 0 224.300 2.431 10 30 BEEERN COC(=O)[C@@H]1OC12CCC1(CCCC1)CC2 ZINC000161495131 538915789 /nfs/dbraw/zinc/91/57/89/538915789.db2.gz KUUAJHDPAUWDBK-JTQLQIEISA-N 0 0 224.300 2.431 10 30 BEEERN COC(=O)N1CC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616611744 349459419 /nfs/dbraw/zinc/45/94/19/349459419.db2.gz NAKDQEKOEISUBI-GFCCVEGCSA-N 0 0 230.267 2.114 10 30 BEEERN Cc1cc(CNCCC#N)cc(C)c1O ZINC000020305565 178020035 /nfs/dbraw/zinc/02/00/35/178020035.db2.gz ZYTMVIFBMYDFDQ-UHFFFAOYSA-N 0 0 204.273 2.012 10 30 BEEERN Cc1cc(CNc2ccccc2C#N)on1 ZINC000044315351 178042732 /nfs/dbraw/zinc/04/27/32/178042732.db2.gz OZLZPDVBYKVXGH-UHFFFAOYSA-N 0 0 213.240 2.467 10 30 BEEERN C=CCCCN(C)C(=O)NCc1nccs1 ZINC000125394437 398213996 /nfs/dbraw/zinc/21/39/96/398213996.db2.gz PMVGWIPKOCMLFK-UHFFFAOYSA-N 0 0 239.344 2.251 10 30 BEEERN Cc1cc(NC[C@@H](C)C[C@@H](C)O)c(C#N)c(C)n1 ZINC000301796741 178165060 /nfs/dbraw/zinc/16/50/60/178165060.db2.gz TZUUAONWYRAJRB-GXSJLCMTSA-N 0 0 247.342 2.389 10 30 BEEERN Cc1cc(N[C@@H](C)[C@H]2CCCO2)cc(C#N)n1 ZINC000308278275 178178763 /nfs/dbraw/zinc/17/87/63/178178763.db2.gz SHHVASGUPMZZPW-GXFFZTMASA-N 0 0 231.299 2.241 10 30 BEEERN Cc1cc(OCC/C(N)=N/O)ccc1Cl ZINC000019815214 178209563 /nfs/dbraw/zinc/20/95/63/178209563.db2.gz JIPKIHWJIKBNCB-UHFFFAOYSA-N 0 0 228.679 2.164 10 30 BEEERN COC(=O)C#Cc1cccc2ccccc12 ZINC000070835234 361778932 /nfs/dbraw/zinc/77/89/32/361778932.db2.gz MQHCTFBWWVUACL-UHFFFAOYSA-N 0 0 210.232 2.364 10 30 BEEERN COC(=O)C#CCc1ccc(Cl)cc1 ZINC000070835060 361779566 /nfs/dbraw/zinc/77/95/66/361779566.db2.gz ACPNESWTSYFMPJ-UHFFFAOYSA-N 0 0 208.644 2.059 10 30 BEEERN Cc1cc([C@H](C#N)NC2CC2)cc(C)c1O ZINC000036924770 178244560 /nfs/dbraw/zinc/24/45/60/178244560.db2.gz KVUQFJJMWUYYFY-LBPRGKRZSA-N 0 0 216.284 2.326 10 30 BEEERN Cc1cc2c(cc1CCS)OCCO2 ZINC000077304115 178289118 /nfs/dbraw/zinc/28/91/18/178289118.db2.gz OYRDZNVRTYELCQ-UHFFFAOYSA-N 0 0 210.298 2.239 10 30 BEEERN Cc1cc2nc(CCCO)n(CC#N)c2cc1C ZINC000040310989 178301480 /nfs/dbraw/zinc/30/14/80/178301480.db2.gz VZRAKFLDYRRUPN-UHFFFAOYSA-N 0 0 243.310 2.102 10 30 BEEERN Cc1ccc(-c2ccc(=O)n(CC#N)n2)cc1C ZINC000005401841 178322759 /nfs/dbraw/zinc/32/27/59/178322759.db2.gz PCJLEENPEMJRKG-UHFFFAOYSA-N 0 0 239.278 2.051 10 30 BEEERN Cc1ccc(-n2ncc(C#N)c2F)cc1 ZINC000072190420 178350086 /nfs/dbraw/zinc/35/00/86/178350086.db2.gz RFCYPBNEZMIXAK-UHFFFAOYSA-N 0 0 201.204 2.192 10 30 BEEERN Cc1ccc(C#N)c(N[C@@H](C)C2CC2)n1 ZINC000044419445 178364369 /nfs/dbraw/zinc/36/43/69/178364369.db2.gz OBNAVAABVDFDTE-VIFPVBQESA-N 0 0 201.273 2.472 10 30 BEEERN Cc1ccc(C#N)c(Sc2nc[nH]n2)c1 ZINC000051598542 178366692 /nfs/dbraw/zinc/36/66/92/178366692.db2.gz GEULOJLALCILRE-UHFFFAOYSA-N 0 0 216.269 2.136 10 30 BEEERN Cc1ccc(C#N)cc1NC[C@@H]1CCCO1 ZINC000050430412 178366957 /nfs/dbraw/zinc/36/69/57/178366957.db2.gz LBKRJZOWYVKHFY-LBPRGKRZSA-N 0 0 216.284 2.458 10 30 BEEERN Cc1ccc(C#N)cc1N[C@H]1CCC[C@H]1O ZINC000050430285 178367101 /nfs/dbraw/zinc/36/71/01/178367101.db2.gz KMRKNPFECVXIFM-WCQYABFASA-N 0 0 216.284 2.192 10 30 BEEERN Cc1ccc(/C(N)=N/O)c(OCc2ccco2)c1 ZINC000051580510 178351916 /nfs/dbraw/zinc/35/19/16/178351916.db2.gz FVTJOEUXBGZSCZ-UHFFFAOYSA-N 0 0 246.266 2.262 10 30 BEEERN Cc1ccc(C(=O)N2CCC[C@@H]2C#N)cc1 ZINC000057497084 178388914 /nfs/dbraw/zinc/38/89/14/178388914.db2.gz VRDPYLAXRCVVTM-GFCCVEGCSA-N 0 0 214.268 2.123 10 30 BEEERN Cc1ccc(C(=O)N(CCC#N)C2CC2)o1 ZINC000042548828 178382008 /nfs/dbraw/zinc/38/20/08/178382008.db2.gz CEIVCCMKNJNHOS-UHFFFAOYSA-N 0 0 218.256 2.106 10 30 BEEERN Cc1ccc(C(=O)N2CCC(=NO)CC2)s1 ZINC000019477201 178384030 /nfs/dbraw/zinc/38/40/30/178384030.db2.gz CBNCRHDCBNOPTL-UHFFFAOYSA-N 0 0 238.312 2.123 10 30 BEEERN C[C@H]1CCC[C@@H](NC(=O)CS)CC1 ZINC000235551616 343998882 /nfs/dbraw/zinc/99/88/82/343998882.db2.gz QBAJAZHSCHPLQY-DTWKUNHWSA-N 0 0 201.335 2.001 10 30 BEEERN C#CC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000051074470 346827132 /nfs/dbraw/zinc/82/71/32/346827132.db2.gz JLKIPYHLWAHYLP-VIFPVBQESA-N 0 0 200.159 2.161 10 30 BEEERN C=CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000405495315 538960184 /nfs/dbraw/zinc/96/01/84/538960184.db2.gz DYUFNFXNPNKZQP-SNVBAGLBSA-N 0 0 239.315 2.389 10 30 BEEERN C=CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000405612368 538960529 /nfs/dbraw/zinc/96/05/29/538960529.db2.gz UHVZUGZFOQQWFU-ZJUUUORDSA-N 0 0 239.315 2.387 10 30 BEEERN C=C(C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406088361 538963163 /nfs/dbraw/zinc/96/31/63/538963163.db2.gz DTWYUILOEWHBKW-LLVKDONJSA-N 0 0 247.294 2.447 10 30 BEEERN C=CC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406129798 538963348 /nfs/dbraw/zinc/96/33/48/538963348.db2.gz YGQLMODCVJCGRW-JTQLQIEISA-N 0 0 233.267 2.056 10 30 BEEERN C=CC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406129800 538963479 /nfs/dbraw/zinc/96/34/79/538963479.db2.gz YGQLMODCVJCGRW-SNVBAGLBSA-N 0 0 233.267 2.056 10 30 BEEERN C#CCC(=O)[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406021866 538962450 /nfs/dbraw/zinc/96/24/50/538962450.db2.gz FEBIIJDFFJYIBR-WDEREUQCSA-N 0 0 249.310 2.048 10 30 BEEERN CCn1nccc1C1=CC(=O)C[C@H](C)C1 ZINC000306656592 361863959 /nfs/dbraw/zinc/86/39/59/361863959.db2.gz HENYJEITRIYQLR-SECBINFHSA-N 0 0 204.273 2.285 10 30 BEEERN C=CCCn1cc(C(=O)C(F)(F)F)cn1 ZINC000585142810 398282214 /nfs/dbraw/zinc/28/22/14/398282214.db2.gz BTYUCVABUFLNEX-UHFFFAOYSA-N 0 0 218.178 2.204 10 30 BEEERN CSc1ccc(C(=O)C#CC(C)(C)O)cc1 ZINC000150019442 342795744 /nfs/dbraw/zinc/79/57/44/342795744.db2.gz KQSDAHUGDFSGTM-UHFFFAOYSA-N 0 0 234.320 2.366 10 30 BEEERN C=CCC(=O)Nc1ccncc1Br ZINC000126985015 342809954 /nfs/dbraw/zinc/80/99/54/342809954.db2.gz MICZHXBMCUMTKZ-UHFFFAOYSA-N 0 0 241.088 2.359 10 30 BEEERN C#CC[C@H](O)CCCCO[C@H]1CCCCO1 ZINC000138290015 342811336 /nfs/dbraw/zinc/81/13/36/342811336.db2.gz FYVDBBAQKMRIGO-QWHCGFSZSA-N 0 0 226.316 2.084 10 30 BEEERN C=CCC1(C(=O)N2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000190212715 538987901 /nfs/dbraw/zinc/98/79/01/538987901.db2.gz SODQLQUBFFDUKW-RYUDHWBXSA-N 0 0 237.343 2.369 10 30 BEEERN C[C@H](CCC#N)n1cc(Br)c(N)n1 ZINC000709995345 539027972 /nfs/dbraw/zinc/02/79/72/539027972.db2.gz HMEOXLWRJKPODT-ZCFIWIBFSA-N 0 0 243.108 2.093 10 30 BEEERN C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)[C@H]1CCCO1 ZINC000251551505 398297796 /nfs/dbraw/zinc/29/77/96/398297796.db2.gz LQBOHJZSPYTTJS-WUHRBBMRSA-N 0 0 222.332 2.226 10 30 BEEERN C=CCSCC(=O)c1ccc(O)cc1 ZINC000308519950 342853210 /nfs/dbraw/zinc/85/32/10/342853210.db2.gz HFEZOOMXLFIJEX-UHFFFAOYSA-N 0 0 208.282 2.494 10 30 BEEERN C=C(C)C(=O)c1ccccc1OC(C)=O ZINC000308801256 342872166 /nfs/dbraw/zinc/87/21/66/342872166.db2.gz LBOALFQIJYXLEU-UHFFFAOYSA-N 0 0 204.225 2.371 10 30 BEEERN N#Cc1ccc(N[C@@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000608778860 342898150 /nfs/dbraw/zinc/89/81/50/342898150.db2.gz PPKUAGXPZBURNO-GHMZBOCLSA-N 0 0 234.274 2.413 10 30 BEEERN C#Cc1cc(C(F)(F)F)ccc1CC(=O)OC ZINC000216783486 342923487 /nfs/dbraw/zinc/92/34/87/342923487.db2.gz BDWDVOXHYTUEQA-UHFFFAOYSA-N 0 0 242.196 2.402 10 30 BEEERN COc1ccnc(OC(F)(F)F)c1CC#N ZINC000309222452 342915447 /nfs/dbraw/zinc/91/54/47/342915447.db2.gz QSEGYQMHDZGZLK-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN N#CCCCCNC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000176542499 398338958 /nfs/dbraw/zinc/33/89/58/398338958.db2.gz YUGVZKINGFEFHZ-RYUDHWBXSA-N 0 0 235.331 2.122 10 30 BEEERN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCCO1 ZINC000042250757 398331043 /nfs/dbraw/zinc/33/10/43/398331043.db2.gz ZUDSRMUNFQBTJK-CYBMUJFWSA-N 0 0 248.301 2.308 10 30 BEEERN C[C@H](CC#N)Nc1ccnc(C2CC2)n1 ZINC000112554907 346890312 /nfs/dbraw/zinc/89/03/12/346890312.db2.gz RRAVVOJIQQQSLW-MRVPVSSYSA-N 0 0 202.261 2.068 10 30 BEEERN CNc1c(C#N)cnc2ccc(F)cc21 ZINC000050842672 398342432 /nfs/dbraw/zinc/34/24/32/398342432.db2.gz LIWIVMFSHZMTPA-UHFFFAOYSA-N 0 0 201.204 2.287 10 30 BEEERN N#Cc1cnc2c(Cl)cccc2c1N ZINC000050842688 398342442 /nfs/dbraw/zinc/34/24/42/398342442.db2.gz MDQAUWKUHCAKQU-UHFFFAOYSA-N 0 0 203.632 2.342 10 30 BEEERN COC1=CC(=O)c2cc(C)cc(C)c2C1=O ZINC000142065859 398343762 /nfs/dbraw/zinc/34/37/62/398343762.db2.gz LDWQUATZYHRXEW-UHFFFAOYSA-N 0 0 216.236 2.213 10 30 BEEERN C=CCn1c(CNC(=O)C=C)nc2ccccc21 ZINC000035143567 187208060 /nfs/dbraw/zinc/20/80/60/187208060.db2.gz YJXRLTHXHBLWHN-UHFFFAOYSA-N 0 0 241.294 2.025 10 30 BEEERN C#CCC(=O)c1ccccc1OC(F)F ZINC000167715064 346904611 /nfs/dbraw/zinc/90/46/11/346904611.db2.gz RVIXAURYTUNRBM-UHFFFAOYSA-N 0 0 210.179 2.494 10 30 BEEERN CCN(C)c1noc(-c2ccc(C#N)cc2)n1 ZINC000234011130 342991493 /nfs/dbraw/zinc/99/14/93/342991493.db2.gz NSHMCOBGCRBLRB-UHFFFAOYSA-N 0 0 228.255 2.064 10 30 BEEERN C=CCN(CC=C)C(=O)c1ccc2c(c1)CCN2 ZINC000036895783 342993537 /nfs/dbraw/zinc/99/35/37/342993537.db2.gz OJSQFTLLIUMCKO-UHFFFAOYSA-N 0 0 242.322 2.469 10 30 BEEERN O=CCc1ccc(OCc2cccnc2)cc1 ZINC000214418441 349711590 /nfs/dbraw/zinc/71/15/90/349711590.db2.gz BHXPEFLWIQWIFS-UHFFFAOYSA-N 0 0 227.263 2.402 10 30 BEEERN CC(=O)O[C@H](C#N)[C@H](C)c1ccccc1 ZINC000036459622 343005307 /nfs/dbraw/zinc/00/53/07/343005307.db2.gz QAXXLBCZQYIWPV-BXKDBHETSA-N 0 0 203.241 2.245 10 30 BEEERN N#Cc1nccnc1N[C@H]1CCc2ccccc21 ZINC000301191372 136265028 /nfs/dbraw/zinc/26/50/28/136265028.db2.gz RZOMEYRHZUUTAO-LBPRGKRZSA-N 0 0 236.278 2.448 10 30 BEEERN C=CCCCC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175693863 187228603 /nfs/dbraw/zinc/22/86/03/187228603.db2.gz BHEFQEZGILNEMI-LBPRGKRZSA-N 0 0 247.342 2.092 10 30 BEEERN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000248775630 323033064 /nfs/dbraw/zinc/03/30/64/323033064.db2.gz YYZHKGUQIJFDSV-YNEHKIRRSA-N 0 0 239.359 2.256 10 30 BEEERN COc1ccc(C#C[C@H]([NH3+])C(C)C)s1 ZINC000306660781 362020770 /nfs/dbraw/zinc/02/07/70/362020770.db2.gz NGHHNAMHHYUCFN-JTQLQIEISA-N 0 0 209.314 2.092 10 30 BEEERN O=C[C@H]1CCCCN1c1nc(Cl)cs1 ZINC000165391286 343076055 /nfs/dbraw/zinc/07/60/55/343076055.db2.gz MXHQQRFSOQECHH-SSDOTTSWSA-N 0 0 230.720 2.354 10 30 BEEERN C[C@@H](C#N)Cn1ccc(C(F)(F)F)n1 ZINC000026545192 343107176 /nfs/dbraw/zinc/10/71/76/343107176.db2.gz VRBAYOBNXHDDAQ-LURJTMIESA-N 0 0 203.167 2.062 10 30 BEEERN CS(=O)(=O)OCC/C=C/c1ccccc1 ZINC000014651529 343127713 /nfs/dbraw/zinc/12/77/13/343127713.db2.gz DKIVQAWMDQILKD-WEVVVXLNSA-N 0 0 226.297 2.066 10 30 BEEERN Cc1ccc([C@H](C)NC(=O)C(C)(C)C#N)o1 ZINC000044752703 136273054 /nfs/dbraw/zinc/27/30/54/136273054.db2.gz DCUWZHWSBYFRRD-VIFPVBQESA-N 0 0 220.272 2.315 10 30 BEEERN N#CCc1cnc(-c2ccncc2)s1 ZINC000082415754 187242971 /nfs/dbraw/zinc/24/29/71/187242971.db2.gz DQZLNVWYIQHCQO-UHFFFAOYSA-N 0 0 201.254 2.271 10 30 BEEERN C=CCC[C@]1(C(F)(F)F)C=CC(=O)O1 ZINC000210335807 343237118 /nfs/dbraw/zinc/23/71/18/343237118.db2.gz NNSIDJPZELIKNM-MRVPVSSYSA-N 0 0 206.163 2.367 10 30 BEEERN N#CCN(C[C@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000310100117 343274315 /nfs/dbraw/zinc/27/43/15/343274315.db2.gz BDHOXPGLPRNJQM-GXTWGEPZSA-N 0 0 236.359 2.306 10 30 BEEERN Cc1nnc(N2CC[C@H](C(C)C)C2)c(C#N)c1C ZINC000134988273 343352177 /nfs/dbraw/zinc/35/21/77/343352177.db2.gz MOCIOJGKDNHHTF-LBPRGKRZSA-N 0 0 244.342 2.447 10 30 BEEERN N#Cc1cnc(N2CCCC23CCCC3)cn1 ZINC000378037273 136344126 /nfs/dbraw/zinc/34/41/26/136344126.db2.gz QUBJHOLASPSZCT-UHFFFAOYSA-N 0 0 228.299 2.261 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1cccc2c1OCO2 ZINC000054826167 136372921 /nfs/dbraw/zinc/37/29/21/136372921.db2.gz WQOCETQJOSQKKM-CMPLNLGQSA-N 0 0 244.294 2.197 10 30 BEEERN N#CCCCn1ccnc1-c1ccc(N)cc1 ZINC000037974210 187262221 /nfs/dbraw/zinc/26/22/21/187262221.db2.gz MQNOWNYCPCOJNI-UHFFFAOYSA-N 0 0 226.283 2.436 10 30 BEEERN C=C(Cc1ccc(C#N)cc1)C(=O)OCC ZINC000166582142 343570106 /nfs/dbraw/zinc/57/01/06/343570106.db2.gz KDRGWPUUJFOAEY-UHFFFAOYSA-N 0 0 215.252 2.220 10 30 BEEERN N#CCC(=O)NCc1ccc(F)cc1Cl ZINC000083355026 187266887 /nfs/dbraw/zinc/26/68/87/187266887.db2.gz VWPFUCOSYRUKND-UHFFFAOYSA-N 0 0 226.638 2.009 10 30 BEEERN Cc1cc(C)c(C#N)c(N(C)C[C@@H]2CCCO2)n1 ZINC000042466244 187265451 /nfs/dbraw/zinc/26/54/51/187265451.db2.gz BNOOQWRJHCZGTH-LBPRGKRZSA-N 0 0 245.326 2.185 10 30 BEEERN C#CC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000020084667 187342767 /nfs/dbraw/zinc/34/27/67/187342767.db2.gz SLVCOUMQJYSZTL-UHFFFAOYSA-N 0 0 233.311 2.205 10 30 BEEERN CC[C@@H](C#N)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000051987825 343630449 /nfs/dbraw/zinc/63/04/49/343630449.db2.gz JBGNCNSYQRYNQI-CMPLNLGQSA-N 0 0 244.294 2.176 10 30 BEEERN C[C@H]1C[C@@H]1COc1cccc(N)c1C#N ZINC000114241706 343678058 /nfs/dbraw/zinc/67/80/58/343678058.db2.gz BYKVXVXEAIRQAA-DTWKUNHWSA-N 0 0 202.257 2.175 10 30 BEEERN C[C@@H]1C[C@H]1COc1cccc(N)c1C#N ZINC000114241709 343678262 /nfs/dbraw/zinc/67/82/62/343678262.db2.gz BYKVXVXEAIRQAA-BDAKNGLRSA-N 0 0 202.257 2.175 10 30 BEEERN CC(C)[C@H](C#N)C(=O)N(C)Cc1ccco1 ZINC000044822845 187268816 /nfs/dbraw/zinc/26/88/16/187268816.db2.gz BWDYDZSJHUIPNI-NSHDSACASA-N 0 0 220.272 2.034 10 30 BEEERN CC(C)OCc1ccc(C#CCO)s1 ZINC000043682689 343700564 /nfs/dbraw/zinc/70/05/64/343700564.db2.gz WNJUEUHRRXMWAY-UHFFFAOYSA-N 0 0 210.298 2.017 10 30 BEEERN COc1ccc(CO[C@@H](C)CC=O)cc1 ZINC000206691960 343706363 /nfs/dbraw/zinc/70/63/63/343706363.db2.gz LWPBDLFFFPRQQC-JTQLQIEISA-N 0 0 208.257 2.189 10 30 BEEERN Cc1nc(C(=O)/C=C/N(C)C)c(C)s1 ZINC000082589249 537806446 /nfs/dbraw/zinc/80/64/46/537806446.db2.gz TZEZVPZHMNDXCC-AATRIKPKSA-N 0 0 210.302 2.018 10 30 BEEERN N#Cc1c(N)[nH]c(=S)nc1-c1ccccc1 ZINC000206811503 343713157 /nfs/dbraw/zinc/71/31/57/343713157.db2.gz PFYZBNISSFVAAM-UHFFFAOYSA-N 0 0 228.280 2.260 10 30 BEEERN N#CCCN(c1cc(F)ccc1N)C1CC1 ZINC000052121937 187271214 /nfs/dbraw/zinc/27/12/14/187271214.db2.gz IQBNJCPDWAFWLC-UHFFFAOYSA-N 0 0 219.263 2.290 10 30 BEEERN [O-]/N=C(/CN(O)/C=C1/C=CC=[NH+]1)c1cccs1 ZINC000061870321 343730098 /nfs/dbraw/zinc/73/00/98/343730098.db2.gz LHPDDXMKUKIHBH-HTKHYCTGSA-N 0 0 249.295 2.100 10 30 BEEERN Cc1ccnc(NCc2cscn2)c1C#N ZINC000135079284 343730769 /nfs/dbraw/zinc/73/07/69/343730769.db2.gz QCZRYMWIKGZGQI-UHFFFAOYSA-N 0 0 230.296 2.330 10 30 BEEERN COc1ccc(Nc2nccnc2C#N)cc1F ZINC000054379207 187272464 /nfs/dbraw/zinc/27/24/64/187272464.db2.gz YBIAANFBWTXCBL-UHFFFAOYSA-N 0 0 244.229 2.240 10 30 BEEERN C=CCCCN(C)C(=O)CC[C@@H]1CCCO1 ZINC000135082382 343748033 /nfs/dbraw/zinc/74/80/33/343748033.db2.gz SWTPPDGLEMJYEI-LBPRGKRZSA-N 0 0 225.332 2.370 10 30 BEEERN C#CCCNc1cc(Cl)nc(Cl)n1 ZINC000306296438 343759009 /nfs/dbraw/zinc/75/90/09/343759009.db2.gz MCOZMASCMNUGCU-UHFFFAOYSA-N 0 0 216.071 2.219 10 30 BEEERN CC(C)NC(=NN)c1ccc(Cl)s1 ZINC000051173402 346974225 /nfs/dbraw/zinc/97/42/25/346974225.db2.gz HVRZEBOHXVXSRW-UHFFFAOYSA-N 0 0 217.725 2.020 10 30 BEEERN CC(C)(O)C#Cc1ccc(C(F)(F)F)cn1 ZINC000216880917 343792692 /nfs/dbraw/zinc/79/26/92/343792692.db2.gz NZLBFQHPFOKPET-UHFFFAOYSA-N 0 0 229.201 2.223 10 30 BEEERN C=CCOc1nc(C)ncc1Br ZINC000306486351 343825740 /nfs/dbraw/zinc/82/57/40/343825740.db2.gz IJCAEMATNJOMIF-UHFFFAOYSA-N 0 0 229.077 2.112 10 30 BEEERN O=CC1(COc2ccc(Cl)cn2)CC1 ZINC000409430329 343808037 /nfs/dbraw/zinc/80/80/37/343808037.db2.gz GIWQWMWPEBKUME-UHFFFAOYSA-N 0 0 211.648 2.093 10 30 BEEERN N#CCn1nc(-c2cccnc2)cc1C1CC1 ZINC000409441266 343855990 /nfs/dbraw/zinc/85/59/90/343855990.db2.gz QMMBUHXDJGFZGG-UHFFFAOYSA-N 0 0 224.267 2.346 10 30 BEEERN C#CCn1ccn2nc(-c3ccco3)cc12 ZINC000409436907 343841402 /nfs/dbraw/zinc/84/14/02/343841402.db2.gz AENRVCXIZISQOL-UHFFFAOYSA-N 0 0 211.224 2.029 10 30 BEEERN N#Cc1ccc(Cl)cc1SCCO ZINC000062785719 346989912 /nfs/dbraw/zinc/98/99/12/346989912.db2.gz HKLLPNKJFYMLOI-UHFFFAOYSA-N 0 0 213.689 2.296 10 30 BEEERN CCn1cc(CC=O)c(-c2ccccc2)n1 ZINC000409439176 343846326 /nfs/dbraw/zinc/84/63/26/343846326.db2.gz OCMBECYBEPDABD-UHFFFAOYSA-N 0 0 214.268 2.311 10 30 BEEERN CC(C)c1cc(-c2ccncc2)nn1CC=O ZINC000409439469 343847443 /nfs/dbraw/zinc/84/74/43/343847443.db2.gz IDJIYFXEHJSGEP-UHFFFAOYSA-N 0 0 229.283 2.267 10 30 BEEERN Cc1cc(-c2cccs2)nn1CC=O ZINC000409438304 343850274 /nfs/dbraw/zinc/85/02/74/343850274.db2.gz CLECCPQRCHEVOE-UHFFFAOYSA-N 0 0 206.270 2.119 10 30 BEEERN C=CCCO[C@@H](C)C(=O)NCCCCSC ZINC000126300749 343876770 /nfs/dbraw/zinc/87/67/70/343876770.db2.gz DTKWZARORMHWOD-NSHDSACASA-N 0 0 245.388 2.227 10 30 BEEERN CC(C)(C)OC(=O)N1CC(CC(C)(C)C=O)C1 ZINC000585143216 343877470 /nfs/dbraw/zinc/87/74/70/343877470.db2.gz JWZNZWVFHOLANT-UHFFFAOYSA-N 0 0 241.331 2.469 10 30 BEEERN C(#CC1CC1)c1ncnc2sccc21 ZINC000585143500 343877521 /nfs/dbraw/zinc/87/75/21/343877521.db2.gz AMXYBUPUVLXYLS-UHFFFAOYSA-N 0 0 200.266 2.453 10 30 BEEERN C=C(C)Cn1cc(C(=O)C(F)(F)F)cn1 ZINC000585142888 343877625 /nfs/dbraw/zinc/87/76/25/343877625.db2.gz GZVOBZOZRWRWQT-UHFFFAOYSA-N 0 0 218.178 2.204 10 30 BEEERN C=C(C)CNc1cnc(Br)cn1 ZINC000306635047 343877663 /nfs/dbraw/zinc/87/76/63/343877663.db2.gz YGZFMLDZDJARIY-UHFFFAOYSA-N 0 0 228.093 2.227 10 30 BEEERN CC(C)(O)C#Cc1nc2ccccc2s1 ZINC000585145038 343880497 /nfs/dbraw/zinc/88/04/97/343880497.db2.gz UELFDWSCWFZOHT-UHFFFAOYSA-N 0 0 217.293 2.419 10 30 BEEERN N#CCc1cn(CC2CC2)nc1C(F)(F)F ZINC000409441726 343860480 /nfs/dbraw/zinc/86/04/80/343860480.db2.gz ZSSOVHCVXZWOAZ-UHFFFAOYSA-N 0 0 229.205 2.378 10 30 BEEERN CC(C)c1cc(C(F)(F)F)nn1CC=O ZINC000409443509 343867814 /nfs/dbraw/zinc/86/78/14/343867814.db2.gz OESDFFIFNWSZCG-UHFFFAOYSA-N 0 0 220.194 2.224 10 30 BEEERN N#Cc1ncnc(C(F)(F)F)c1Cl ZINC000075892027 187278246 /nfs/dbraw/zinc/27/82/46/187278246.db2.gz DMRLRCIYFQTILZ-UHFFFAOYSA-N 0 0 207.542 2.020 10 30 BEEERN C=CCCC(=O)Nc1ncc(F)s1 ZINC000306887128 343889173 /nfs/dbraw/zinc/88/91/73/343889173.db2.gz TZDIYOLIAWESBZ-UHFFFAOYSA-N 0 0 200.238 2.187 10 30 BEEERN C=C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)OC ZINC000305971967 343930594 /nfs/dbraw/zinc/93/05/94/343930594.db2.gz GVMMABBNWQKAGO-KGLIPLIRSA-N 0 0 245.322 2.381 10 30 BEEERN C=C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000201506502 343931606 /nfs/dbraw/zinc/93/16/06/343931606.db2.gz CLPWHLUWIMALOI-UHFFFAOYSA-N 0 0 215.296 2.408 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2C#N)O1 ZINC000135185890 343964862 /nfs/dbraw/zinc/96/48/62/343964862.db2.gz PFPJDXYCGIDAPK-PRHODGIISA-N 0 0 248.257 2.203 10 30 BEEERN CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CCO1 ZINC000251645886 344121782 /nfs/dbraw/zinc/12/17/82/344121782.db2.gz NBUSJKBFWLUPOP-LOWDOPEQSA-N 0 0 222.332 2.226 10 30 BEEERN CC[C@@H](C)[C@H](C)N=C(NC#N)Nc1ccncc1 ZINC000026576313 344150661 /nfs/dbraw/zinc/15/06/61/344150661.db2.gz XQFFURSERZYVPP-MNOVXSKESA-N 0 0 245.330 2.355 10 30 BEEERN CC(C)C(C)(C)N=C(NC#N)Nc1ccncc1 ZINC000026576329 344150670 /nfs/dbraw/zinc/15/06/70/344150670.db2.gz BDFRTEFPUCHISF-UHFFFAOYSA-N 0 0 245.330 2.355 10 30 BEEERN C=CCC(CC=C)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000150827054 187289942 /nfs/dbraw/zinc/28/99/42/187289942.db2.gz JDXAFRIWJMUTJG-TXEJJXNPSA-N 0 0 237.343 2.391 10 30 BEEERN C#CCOc1nc(Cl)nc2sccc21 ZINC000236043766 344287738 /nfs/dbraw/zinc/28/77/38/344287738.db2.gz LKQFCJKARNXOGU-UHFFFAOYSA-N 0 0 224.672 2.357 10 30 BEEERN N#Cc1cc(Br)c(F)c([N+](=O)[O-])c1 ZINC000306621464 344314123 /nfs/dbraw/zinc/31/41/23/344314123.db2.gz ZHQURWKUKIQPOV-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN Cc1ccc(/C=C2\CN(C)CCC2=O)cc1 ZINC000142576505 344324360 /nfs/dbraw/zinc/32/43/60/344324360.db2.gz DRNVDXGCWXEGKP-UKTHLTGXSA-N 0 0 215.296 2.283 10 30 BEEERN [NH3+]CC#Cc1c(F)ccc(Br)c1F ZINC000236186736 344308329 /nfs/dbraw/zinc/30/83/29/344308329.db2.gz CZWKSFJGXHGNMG-UHFFFAOYSA-N 0 0 246.054 2.038 10 30 BEEERN C#Cc1c(Br)cccc1[N+](=O)[O-] ZINC000220028418 344308871 /nfs/dbraw/zinc/30/88/71/344308871.db2.gz YTYSJVAIMKFIFL-UHFFFAOYSA-N 0 0 226.029 2.339 10 30 BEEERN C[C@H](C#N)Oc1cc(N)ccc1Br ZINC000217108877 344502951 /nfs/dbraw/zinc/50/29/51/344502951.db2.gz NHLRLGNGZDNTKK-ZCFIWIBFSA-N 0 0 241.088 2.322 10 30 BEEERN COc1ccc(OC)c(-c2cnc(C#N)o2)c1 ZINC000409429309 344450919 /nfs/dbraw/zinc/45/09/19/344450919.db2.gz QPTYCIFXZJQVME-UHFFFAOYSA-N 0 0 230.223 2.230 10 30 BEEERN N#Cc1c(C2CCC2)n[nH]c1C1CCOCC1 ZINC000409439051 344461044 /nfs/dbraw/zinc/46/10/44/344461044.db2.gz GFEBXUSHKCSYRF-UHFFFAOYSA-N 0 0 231.299 2.443 10 30 BEEERN N#Cc1cc(COc2ccc(F)cc2)ncn1 ZINC000409436730 344461072 /nfs/dbraw/zinc/46/10/72/344461072.db2.gz YKNVMLLUZXKENF-UHFFFAOYSA-N 0 0 229.214 2.066 10 30 BEEERN N#Cc1cc(COCc2ccccc2)ncn1 ZINC000409436746 344462868 /nfs/dbraw/zinc/46/28/68/344462868.db2.gz ZUSCAHHNBFOKIN-UHFFFAOYSA-N 0 0 225.251 2.065 10 30 BEEERN N#Cc1cc(-c2ccccn2)nc(C2CC2)n1 ZINC000409439180 344463368 /nfs/dbraw/zinc/46/33/68/344463368.db2.gz QCMTXVVPEJNZMC-UHFFFAOYSA-N 0 0 222.251 2.288 10 30 BEEERN CC(C)c1[nH]nc(-c2ccncc2)c1C#N ZINC000409442268 344466180 /nfs/dbraw/zinc/46/61/80/344466180.db2.gz YHQMEIOZLCKHNW-UHFFFAOYSA-N 0 0 212.256 2.467 10 30 BEEERN N#Cc1cc(-c2ccccn2)nn1CC1CC1 ZINC000409443381 344466897 /nfs/dbraw/zinc/46/68/97/344466897.db2.gz LZNDZJCRBCZLEP-UHFFFAOYSA-N 0 0 224.267 2.227 10 30 BEEERN CCCCOCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054826135 344471958 /nfs/dbraw/zinc/47/19/58/344471958.db2.gz CMZYTALPSGVGEW-QWHCGFSZSA-N 0 0 224.348 2.475 10 30 BEEERN C#C[C@H](NN)c1cccc(Cl)c1Cl ZINC000158084885 344474091 /nfs/dbraw/zinc/47/40/91/344474091.db2.gz RHHLYLAOFFLLMG-QMMMGPOBSA-N 0 0 215.083 2.131 10 30 BEEERN CCO/C=C\C(=O)C(F)(F)Br ZINC000209883020 344495896 /nfs/dbraw/zinc/49/58/96/344495896.db2.gz IJKFVLQFHXEEEK-ARJAWSKDSA-N 0 0 229.020 2.093 10 30 BEEERN COc1c(Br)c(O)ccc1CC#N ZINC000217114904 344515730 /nfs/dbraw/zinc/51/57/30/344515730.db2.gz IZFOEIXQFDQEBJ-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN C#C[C@@H](NC)c1ccc(Br)cc1F ZINC000166109957 344530455 /nfs/dbraw/zinc/53/04/55/344530455.db2.gz LICYIBIWSRHGMR-SNVBAGLBSA-N 0 0 242.091 2.482 10 30 BEEERN C#C[C@@H](NN)c1cc2sccc2s1 ZINC000158138788 344551083 /nfs/dbraw/zinc/55/10/83/344551083.db2.gz GMCFRZDUBQVQQQ-ZCFIWIBFSA-N 0 0 208.311 2.100 10 30 BEEERN C=C(Cl)CSc1nc(C)cc(=O)[nH]1 ZINC000075627139 187359364 /nfs/dbraw/zinc/35/93/64/187359364.db2.gz KTTLRJWPWWCAOQ-UHFFFAOYSA-N 0 0 216.693 2.335 10 30 BEEERN N#Cc1c(N)c(OC(F)(F)F)ccc1F ZINC000396135205 344613010 /nfs/dbraw/zinc/61/30/10/344613010.db2.gz HMADDPPHIRWIAH-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN N#Cc1ccc(C=O)cc1OC(F)(F)F ZINC000396093689 344600004 /nfs/dbraw/zinc/60/00/04/344600004.db2.gz ITYSJYBOTQDQQS-UHFFFAOYSA-N 0 0 215.130 2.269 10 30 BEEERN COc1cc(CC#N)nc(C(F)(F)F)c1 ZINC000396099501 344602441 /nfs/dbraw/zinc/60/24/41/344602441.db2.gz CGXATYXUUYPJHV-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1cnc([N+](=O)[O-])cc1C(F)(F)F ZINC000396116001 344606488 /nfs/dbraw/zinc/60/64/88/344606488.db2.gz CIBJDMRMSAAWTL-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN O=CCOc1ccc(Cl)c2cccnc12 ZINC000050160751 344649755 /nfs/dbraw/zinc/64/97/55/344649755.db2.gz VJDIIOBQOBJEDT-UHFFFAOYSA-N 0 0 221.643 2.466 10 30 BEEERN N#CCc1cnc(F)cc1OC(F)(F)F ZINC000238610509 344674649 /nfs/dbraw/zinc/67/46/49/344674649.db2.gz QLDJYKAZUMOAFJ-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN C#CC[C@H](C)NC(=O)c1sccc1C ZINC000127750337 344639780 /nfs/dbraw/zinc/63/97/80/344639780.db2.gz FSZQZRYIQXNISI-VIFPVBQESA-N 0 0 207.298 2.198 10 30 BEEERN N#Cc1cncc(C#Cc2cccc(O)c2)c1 ZINC000116291584 344728934 /nfs/dbraw/zinc/72/89/34/344728934.db2.gz JIQGQJHOUFBOOQ-UHFFFAOYSA-N 0 0 220.231 2.059 10 30 BEEERN C#CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050470002 344696000 /nfs/dbraw/zinc/69/60/00/344696000.db2.gz GDNRROYWNQYGGT-UHFFFAOYSA-N 0 0 211.604 2.260 10 30 BEEERN CC(C)(C=O)c1cncc(Br)c1 ZINC000221279771 344715348 /nfs/dbraw/zinc/71/53/48/344715348.db2.gz QOAUJVJWGRVUFG-UHFFFAOYSA-N 0 0 228.089 2.321 10 30 BEEERN Cc1ccccc1[C@@H](C)OS(C)(=O)=O ZINC000166203228 344787685 /nfs/dbraw/zinc/78/76/85/344787685.db2.gz XAJLQWIFZNUHLG-SECBINFHSA-N 0 0 214.286 2.032 10 30 BEEERN Cc1cccc([C@H](C)OS(C)(=O)=O)c1 ZINC000166205766 344788152 /nfs/dbraw/zinc/78/81/52/344788152.db2.gz PDBLKIKHFILXDL-VIFPVBQESA-N 0 0 214.286 2.032 10 30 BEEERN Cc1cccc([C@@H](C)OS(C)(=O)=O)c1 ZINC000166205680 344788416 /nfs/dbraw/zinc/78/84/16/344788416.db2.gz PDBLKIKHFILXDL-SECBINFHSA-N 0 0 214.286 2.032 10 30 BEEERN CCOc1nnc(-c2ccc(C#N)cc2)o1 ZINC000039100147 344847259 /nfs/dbraw/zinc/84/72/59/344847259.db2.gz FLFNXVKHJXEFON-UHFFFAOYSA-N 0 0 215.212 2.007 10 30 BEEERN C[C@@H](S)C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000235263008 344863227 /nfs/dbraw/zinc/86/32/27/344863227.db2.gz DORQOJJTONILSE-RKDXNWHRSA-N 0 0 215.362 2.199 10 30 BEEERN C[C@@H]1SCC[C@]1(C#N)NC1CCCC1 ZINC000235343021 344890079 /nfs/dbraw/zinc/89/00/79/344890079.db2.gz DZHCJMREFURBIG-GXSJLCMTSA-N 0 0 210.346 2.306 10 30 BEEERN C[C@H]1CC(NC(=O)CCS)C[C@H](C)C1 ZINC000235633148 344960454 /nfs/dbraw/zinc/96/04/54/344960454.db2.gz HFWRTIPBQZZNPH-RKDXNWHRSA-N 0 0 215.362 2.247 10 30 BEEERN C[C@H]1CCN(C[C@@H](C#N)C(F)(F)F)C1 ZINC000235556386 344940965 /nfs/dbraw/zinc/94/09/65/344940965.db2.gz BVLUCDRHTWJQRY-JGVFFNPUSA-N 0 0 206.211 2.030 10 30 BEEERN Cc1cccc(F)c1NC(=O)[C@H](C)S ZINC000235562882 344943535 /nfs/dbraw/zinc/94/35/35/344943535.db2.gz FMMDEJPRBHWGPH-ZETCQYMHSA-N 0 0 213.277 2.391 10 30 BEEERN C=CCC(CC=C)C(=O)N1[C@H](C)COC[C@H]1C ZINC000150827115 187299569 /nfs/dbraw/zinc/29/95/69/187299569.db2.gz JDXAFRIWJMUTJG-VXGBXAGGSA-N 0 0 237.343 2.391 10 30 BEEERN CCOc1c(CC#N)cc(C#N)cc1OC ZINC000044369470 345041893 /nfs/dbraw/zinc/04/18/93/345041893.db2.gz SQMCVHNCBPVYRM-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN CCOc1cc(CC#N)c(C#N)cc1OC ZINC000044369498 345041912 /nfs/dbraw/zinc/04/19/12/345041912.db2.gz WRSVQSMJOHJZCU-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN C=C[C@@H](N)c1occc1Br ZINC000238578354 345081080 /nfs/dbraw/zinc/08/10/80/345081080.db2.gz WNALCSHIGUIGGD-ZCFIWIBFSA-N 0 0 202.051 2.228 10 30 BEEERN C#Cc1ncc(Cl)cc1Br ZINC000238510128 345064696 /nfs/dbraw/zinc/06/46/96/345064696.db2.gz GVNITFCAHMSTEV-UHFFFAOYSA-N 0 0 216.465 2.479 10 30 BEEERN C=C(Br)CNc1ncc(N)s1 ZINC000226751908 345240403 /nfs/dbraw/zinc/24/04/03/345240403.db2.gz BUTDNGILLNEMLH-UHFFFAOYSA-N 0 0 234.122 2.046 10 30 BEEERN N#Cc1ccc(CN[C@H]2CCC[C@H]2C#N)s1 ZINC000135529253 345444146 /nfs/dbraw/zinc/44/41/46/345444146.db2.gz VWSHZDMYHFJGGD-CABZTGNLSA-N 0 0 231.324 2.402 10 30 BEEERN C#CC(C)(C)Nc1nnc(Br)s1 ZINC000229304147 345485668 /nfs/dbraw/zinc/48/56/68/345485668.db2.gz OMKKSXUWLCMHEW-UHFFFAOYSA-N 0 0 246.133 2.124 10 30 BEEERN CC[C@@](C)(C#N)C(=O)N(C)Cc1ccc(C)o1 ZINC000136190922 345486510 /nfs/dbraw/zinc/48/65/10/345486510.db2.gz SLWPMZAQKXTOKR-ZDUSSCGKSA-N 0 0 234.299 2.486 10 30 BEEERN CC1CC(C(=O)NCc2cccc(C#N)c2)C1 ZINC000084741796 345522831 /nfs/dbraw/zinc/52/28/31/345522831.db2.gz YKZXVHDPYIRGSN-UHFFFAOYSA-N 0 0 228.295 2.221 10 30 BEEERN N#Cc1c(Cl)nccc1OC(F)F ZINC000307387182 345512038 /nfs/dbraw/zinc/51/20/38/345512038.db2.gz MFWNBDBDLOTEEA-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN CCOc1cc2c(cc1C=NO)O[C@H](C)C2 ZINC000252369959 345516378 /nfs/dbraw/zinc/51/63/78/345516378.db2.gz IVJSJHXRGCWOBV-MRVPVSSYSA-N 0 0 221.256 2.217 10 30 BEEERN N#Cc1nccc(C(F)(F)C(F)(F)F)n1 ZINC000112955025 345753017 /nfs/dbraw/zinc/75/30/17/345753017.db2.gz ZQFSJUHWZQSJSI-UHFFFAOYSA-N 0 0 223.104 2.002 10 30 BEEERN C[C@H](CO)CC1=CC(=O)c2ccccc2C1=O ZINC000136189405 345807854 /nfs/dbraw/zinc/80/78/54/345807854.db2.gz SQMRKSMJZRUGEE-VIFPVBQESA-N 0 0 230.263 2.011 10 30 BEEERN COC(=O)c1cc(C)cc(C#N)c1Cl ZINC000307539189 345808216 /nfs/dbraw/zinc/80/82/16/345808216.db2.gz XSVSYTHHJGGGFO-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN O[C@@H](C#Cc1ccncc1)c1ccccc1 ZINC000034061777 345813276 /nfs/dbraw/zinc/81/32/76/345813276.db2.gz VODFCOSTDUVEIF-AWEZNQCLSA-N 0 0 209.248 2.167 10 30 BEEERN COc1ccc(OC)c([C@H](C)N/C(C)=N\C#N)c1 ZINC000033979330 345814879 /nfs/dbraw/zinc/81/48/79/345814879.db2.gz IKYUCUAAHKVVLP-VIFPVBQESA-N 0 0 247.298 2.254 10 30 BEEERN C#CC[C@H](N)C(=O)c1cc(F)ccc1Cl ZINC000164565188 345782438 /nfs/dbraw/zinc/78/24/38/345782438.db2.gz FNSXSQCOBZYKRZ-JTQLQIEISA-N 0 0 225.650 2.012 10 30 BEEERN COC(=O)c1cc(C#N)cc2cc(O)ccc21 ZINC000135752465 345787057 /nfs/dbraw/zinc/78/70/57/345787057.db2.gz ZHFNUWSUGPMYEC-UHFFFAOYSA-N 0 0 227.219 2.204 10 30 BEEERN C#CC[C@@H](O)CCCCO[C@@H]1CCCCO1 ZINC000138289904 345805745 /nfs/dbraw/zinc/80/57/45/345805745.db2.gz FYVDBBAQKMRIGO-OLZOCXBDSA-N 0 0 226.316 2.084 10 30 BEEERN C[C@@H]1CCCC[C@]1(O)C#CBr ZINC000142546355 345862941 /nfs/dbraw/zinc/86/29/41/345862941.db2.gz MMPXWGDMMTXCNH-BDAKNGLRSA-N 0 0 217.106 2.283 10 30 BEEERN COC(=O)c1cc(C#N)cc2cc(C#N)ccc21 ZINC000034581766 345832895 /nfs/dbraw/zinc/83/28/95/345832895.db2.gz RUPNHWJHQVXEHL-UHFFFAOYSA-N 0 0 236.230 2.370 10 30 BEEERN N#Cc1cc(C(=O)c2ccccc2)ccc1N ZINC000034453293 345834057 /nfs/dbraw/zinc/83/40/57/345834057.db2.gz SUSBLJWOEDVKMR-UHFFFAOYSA-N 0 0 222.247 2.371 10 30 BEEERN CC(C)(CS)CN1C(=O)CCSC1=O ZINC000166878825 345926654 /nfs/dbraw/zinc/92/66/54/345926654.db2.gz TYRKDCLRNBPUMQ-UHFFFAOYSA-N 0 0 233.358 2.028 10 30 BEEERN C#CCCC(=O)Nc1ccc(Cl)nc1C ZINC000235793370 345904793 /nfs/dbraw/zinc/90/47/93/345904793.db2.gz QJOJCZOFDDQNOD-UHFFFAOYSA-N 0 0 222.675 2.395 10 30 BEEERN C#C[C@H](O)c1cccc(C)c1Br ZINC000235805643 345916504 /nfs/dbraw/zinc/91/65/04/345916504.db2.gz AIDROURLGPJFNA-VIFPVBQESA-N 0 0 225.085 2.424 10 30 BEEERN Cc1cc(F)c(NC(=O)CS)cc1F ZINC000235876448 345956270 /nfs/dbraw/zinc/95/62/70/345956270.db2.gz YIZHXODNYFYWPD-UHFFFAOYSA-N 0 0 217.240 2.142 10 30 BEEERN CC[C@@H](CC(=O)N[C@H](C)C#N)C(C)(C)C ZINC000601018544 345996154 /nfs/dbraw/zinc/99/61/54/345996154.db2.gz HIJWSUFBROCBDW-ZJUUUORDSA-N 0 0 210.321 2.477 10 30 BEEERN Cc1cc(C(=O)N(CC#N)C2CC2)cs1 ZINC000586752840 346055371 /nfs/dbraw/zinc/05/53/71/346055371.db2.gz LSQRCNTZSZPMIR-UHFFFAOYSA-N 0 0 220.297 2.185 10 30 BEEERN N#Cc1ccc(Oc2nccnc2C#N)cc1F ZINC000066860191 187363357 /nfs/dbraw/zinc/36/33/57/187363357.db2.gz GTIUKQMAPSXHPC-UHFFFAOYSA-N 0 0 240.197 2.151 10 30 BEEERN C#CCOc1ccc(CCC(C)=O)cc1 ZINC000019481596 187313761 /nfs/dbraw/zinc/31/37/61/187313761.db2.gz KAKZKSHGSMISPO-UHFFFAOYSA-N 0 0 202.253 2.220 10 30 BEEERN C=C(C(=O)OC)[C@@H](O)c1ccccc1Cl ZINC000019835948 187314703 /nfs/dbraw/zinc/31/47/03/187314703.db2.gz TXBHTSYDCBNNQN-SNVBAGLBSA-N 0 0 226.659 2.103 10 30 BEEERN N#CCCc1nc(-c2cccs2)no1 ZINC000236199788 346206004 /nfs/dbraw/zinc/20/60/04/346206004.db2.gz UVKFNPFMZDFOKC-UHFFFAOYSA-N 0 0 205.242 2.254 10 30 BEEERN C=CCNc1ncc(N)c(C)c1Br ZINC000167022111 346181952 /nfs/dbraw/zinc/18/19/52/346181952.db2.gz NMISZFIXKCHQNG-UHFFFAOYSA-N 0 0 242.120 2.333 10 30 BEEERN C=CCCC(=O)Nc1nccc(Cl)n1 ZINC000236043157 346186526 /nfs/dbraw/zinc/18/65/26/346186526.db2.gz PGBDTFJBJCRXDH-UHFFFAOYSA-N 0 0 211.652 2.035 10 30 BEEERN CC(C)(C)OC(=O)N=C(N)c1ccccc1F ZINC000082549130 187316920 /nfs/dbraw/zinc/31/69/20/187316920.db2.gz HFVVRGCBRXVTDD-UHFFFAOYSA-N 0 0 238.262 2.466 10 30 BEEERN C#CCNCc1nc2ccccc2n1CCC ZINC000038046546 187318139 /nfs/dbraw/zinc/31/81/39/187318139.db2.gz SDBOCVQFLIQJEM-UHFFFAOYSA-N 0 0 227.311 2.169 10 30 BEEERN O=CCCSc1ncnc2ccccc21 ZINC000062546919 346278942 /nfs/dbraw/zinc/27/89/42/346278942.db2.gz RSIBOIZNRVUOQN-UHFFFAOYSA-N 0 0 218.281 2.311 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCCC2(CC2)C1 ZINC000332947742 537966697 /nfs/dbraw/zinc/96/66/97/537966697.db2.gz WZTZBEZREIWGIZ-NEPJUHHUSA-N 0 0 247.342 2.264 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CCCC2(CC2)C1 ZINC000332947743 537967538 /nfs/dbraw/zinc/96/75/38/537967538.db2.gz WZTZBEZREIWGIZ-VXGBXAGGSA-N 0 0 247.342 2.264 10 30 BEEERN C[C@H](OS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000149219440 346600655 /nfs/dbraw/zinc/60/06/55/346600655.db2.gz FVSQMDXZDMQDML-ZETCQYMHSA-N 0 0 234.704 2.377 10 30 BEEERN C[Si](C)(C)C#Cc1cnc2c(O)cccn12 ZINC000203645993 346646096 /nfs/dbraw/zinc/64/60/96/346646096.db2.gz RLNPXNQTANTWRF-UHFFFAOYSA-N 0 0 230.343 2.269 10 30 BEEERN Cc1cccc(NC(=O)[C@@H](C#N)C(C)C)n1 ZINC000044813001 179137859 /nfs/dbraw/zinc/13/78/59/179137859.db2.gz YZOAEFIEKAKMCL-JTQLQIEISA-N 0 0 217.272 2.124 10 30 BEEERN C/C(=N\n1c(C)nnc1C)c1cccs1 ZINC000005712688 346627246 /nfs/dbraw/zinc/62/72/46/346627246.db2.gz CYJLWOGQHMTJGU-NTUHNPAUSA-N 0 0 220.301 2.229 10 30 BEEERN C[Si](C)(C)C#Cc1c[nH]c2ncncc12 ZINC000204068512 187369941 /nfs/dbraw/zinc/36/99/41/187369941.db2.gz LSZWYSQXOBHKBV-UHFFFAOYSA-N 0 0 215.332 2.187 10 30 BEEERN Cc1cccc(NC(=O)[C@H](C)CC#N)c1 ZINC000049812392 179139963 /nfs/dbraw/zinc/13/99/63/179139963.db2.gz RFUKTSPAUSZQRH-SNVBAGLBSA-N 0 0 202.257 2.483 10 30 BEEERN O/N=C/c1ccnc(/C=C/c2ccccc2)n1 ZINC000168141279 346726738 /nfs/dbraw/zinc/72/67/38/346726738.db2.gz ZDKWTTCUPXDBTI-HCRXKHKBSA-N 0 0 225.251 2.455 10 30 BEEERN Cc1ncc(C#N)c(NCc2ccccc2)n1 ZINC000221819466 347111541 /nfs/dbraw/zinc/11/15/41/347111541.db2.gz KLIMCIOYPKANKX-UHFFFAOYSA-N 0 0 224.267 2.269 10 30 BEEERN Cc1cccc(OCCC/C(N)=N/O)c1C ZINC000019487622 179164440 /nfs/dbraw/zinc/16/44/40/179164440.db2.gz WQTNEJPLXBBSNM-UHFFFAOYSA-N 0 0 222.288 2.209 10 30 BEEERN Cc1cccc([C@@H](C#N)NC[C@H]2CCCO2)c1 ZINC000037939860 179178252 /nfs/dbraw/zinc/17/82/52/179178252.db2.gz NGOGBMOYYKPSCM-ZIAGYGMSSA-N 0 0 230.311 2.328 10 30 BEEERN Cc1cccc([C@@H](C#N)NC[C@@H]2CCCO2)c1 ZINC000037939858 179179723 /nfs/dbraw/zinc/17/97/23/179179723.db2.gz NGOGBMOYYKPSCM-UONOGXRCSA-N 0 0 230.311 2.328 10 30 BEEERN CCc1nc(C#N)cc(N[C@@H](C)C(C)C)n1 ZINC000308300909 347237628 /nfs/dbraw/zinc/23/76/28/347237628.db2.gz KITPVTFYVVLYQE-VIFPVBQESA-N 0 0 218.304 2.367 10 30 BEEERN C=CCN(CC=C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000190311358 347327272 /nfs/dbraw/zinc/32/72/72/347327272.db2.gz HDPXJEQOWYSCPT-VXGBXAGGSA-N 0 0 223.316 2.002 10 30 BEEERN Cc1cn2c(nc(C)c2CNC[C@@H](C)C#N)s1 ZINC000054180776 1172092029 /nfs/dbraw/zinc/09/20/29/1172092029.db2.gz GBLDNYPSJCASTD-QMMMGPOBSA-N 0 0 248.355 2.262 10 30 BEEERN Cc1ccccc1-c1cc(N)n(CCC#N)n1 ZINC000037295049 179235312 /nfs/dbraw/zinc/23/53/12/179235312.db2.gz DOXXHONKGFIELU-UHFFFAOYSA-N 0 0 226.283 2.354 10 30 BEEERN N#CCCNc1ccc(F)c(F)c1F ZINC000036723430 347446322 /nfs/dbraw/zinc/44/63/22/347446322.db2.gz BMLSFJPPXQAYBU-UHFFFAOYSA-N 0 0 200.163 2.429 10 30 BEEERN CC1(C)O[C@H](C#N)[C@H](c2ccccc2)O1 ZINC000196248523 347490739 /nfs/dbraw/zinc/49/07/39/347490739.db2.gz ASRJZBPVKYWPOA-MNOVXSKESA-N 0 0 203.241 2.403 10 30 BEEERN Cc1n[nH]c(=S)n1N=Cc1ccccc1C ZINC000000148920 179244544 /nfs/dbraw/zinc/24/45/44/179244544.db2.gz UIEPOLIQWRSWPX-GHXNOFRVSA-N 0 0 232.312 2.440 10 30 BEEERN Cc1ccccc1CSC[C@](C)(N)C#N ZINC000054964654 179287176 /nfs/dbraw/zinc/28/71/76/179287176.db2.gz LGFUKUMBGILFDU-GFCCVEGCSA-N 0 0 220.341 2.469 10 30 BEEERN Cc1ccccc1CSC[C@@](C)(N)C#N ZINC000054964655 179287788 /nfs/dbraw/zinc/28/77/88/179287788.db2.gz LGFUKUMBGILFDU-LBPRGKRZSA-N 0 0 220.341 2.469 10 30 BEEERN CC(=O)/C=C/CCCOC[C@H]1COC(C)(C)O1 ZINC000200288182 347804433 /nfs/dbraw/zinc/80/44/33/347804433.db2.gz ISIFDNYAFRDHDO-PZBABLGHSA-N 0 0 242.315 2.080 10 30 BEEERN N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000592714406 347808851 /nfs/dbraw/zinc/80/88/51/347808851.db2.gz LOKBBCYJGNXSAG-BFHYXJOUSA-N 0 0 240.306 2.477 10 30 BEEERN CC1CC(C#N)(C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000592897472 347829315 /nfs/dbraw/zinc/82/93/15/347829315.db2.gz PTYZPVUCOGMSPH-STEQBFRISA-N 0 0 232.327 2.231 10 30 BEEERN Cc1ccccc1Oc1cc(/C(N)=N/O)ccn1 ZINC000019511091 179314665 /nfs/dbraw/zinc/31/46/65/179314665.db2.gz LWMPOINGZWBTQG-UHFFFAOYSA-N 0 0 243.266 2.277 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1N1CCSCC1 ZINC000037146698 348023538 /nfs/dbraw/zinc/02/35/38/348023538.db2.gz PYMIGPRWIUXLFW-MNOVXSKESA-N 0 0 210.346 2.118 10 30 BEEERN N#C[C@@H]1CCC[C@H]1Sc1ncccn1 ZINC000037155931 348025631 /nfs/dbraw/zinc/02/56/31/348025631.db2.gz PFRLIESJGPOLME-DTWKUNHWSA-N 0 0 205.286 2.261 10 30 BEEERN C=CCC[C@@H](O)CN(O)Cc1ccccc1 ZINC000196868333 348039533 /nfs/dbraw/zinc/03/95/33/348039533.db2.gz AIOVWUPKVITACZ-CYBMUJFWSA-N 0 0 221.300 2.205 10 30 BEEERN CN(C)/C=C/C(=O)c1cc(C(F)(F)F)ccn1 ZINC000203932641 348239115 /nfs/dbraw/zinc/23/91/15/348239115.db2.gz CUNHQSVVRWFEKG-GQCTYLIASA-N 0 0 244.216 2.358 10 30 BEEERN C[C@H](CC#N)N(C)[C@H]1CCCCCC1=O ZINC000251529155 362884826 /nfs/dbraw/zinc/88/48/26/362884826.db2.gz KAPCHTIBKIXPRR-MNOVXSKESA-N 0 0 208.305 2.122 10 30 BEEERN N#CCCC(=O)c1ccc2c(c1)CCO2 ZINC000037362599 348356942 /nfs/dbraw/zinc/35/69/42/348356942.db2.gz GGPYQSLJYREUCD-UHFFFAOYSA-N 0 0 201.225 2.108 10 30 BEEERN N#Cc1c(Cl)cccc1NC1CC(CO)C1 ZINC000596567609 348580946 /nfs/dbraw/zinc/58/09/46/348580946.db2.gz KIHIKUPILIUDFW-UHFFFAOYSA-N 0 0 236.702 2.394 10 30 BEEERN CC(=O)Nc1cccc(C#C[Si](C)(C)C)n1 ZINC000198015791 348592874 /nfs/dbraw/zinc/59/28/74/348592874.db2.gz GRUFFHCSABGUCE-UHFFFAOYSA-N 0 0 232.359 2.269 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NCc1cnc2n1CCC2 ZINC000597195589 348672101 /nfs/dbraw/zinc/67/21/01/348672101.db2.gz KQRVBHYKIHGQJQ-YPMHNXCESA-N 0 0 244.342 2.001 10 30 BEEERN Cc1cc(/N=C/c2ccc3c(c2)OCO3)no1 ZINC000048544977 348668479 /nfs/dbraw/zinc/66/84/79/348668479.db2.gz WZXIOMLNEDPJHJ-AWNIVKPZSA-N 0 0 230.223 2.462 10 30 BEEERN CC[C@@H](Nc1cc(C#N)ncn1)C(C)C ZINC000308801574 348643603 /nfs/dbraw/zinc/64/36/03/348643603.db2.gz KZDGEWUDRIFZQE-SNVBAGLBSA-N 0 0 204.277 2.195 10 30 BEEERN C[C@H](C=O)Sc1cccc([N+](=O)[O-])c1 ZINC000616573932 349073790 /nfs/dbraw/zinc/07/37/90/349073790.db2.gz VJFXTZHEPMRDFC-SSDOTTSWSA-N 0 0 211.242 2.274 10 30 BEEERN CN1CCC/C1=N/C(=O)Nc1cccc(C#N)c1 ZINC000199202206 349144383 /nfs/dbraw/zinc/14/43/83/349144383.db2.gz ZLMVMTKFSNIZOZ-VBKFSLOCSA-N 0 0 242.282 2.214 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC000599630225 349231467 /nfs/dbraw/zinc/23/14/67/349231467.db2.gz OXDFRSSGNOJNJY-QJPTWQEYSA-N 0 0 232.327 2.375 10 30 BEEERN N#Cc1cccc(CN2CCCCC2=O)c1 ZINC000020296505 349280274 /nfs/dbraw/zinc/28/02/74/349280274.db2.gz QQLZDPOBJPBUQP-UHFFFAOYSA-N 0 0 214.268 2.071 10 30 BEEERN SCc1noc2c1CCC21CCOCC1 ZINC000725253886 538039153 /nfs/dbraw/zinc/03/91/53/538039153.db2.gz OTAOBCHKRWJYSO-UHFFFAOYSA-N 0 0 225.313 2.099 10 30 BEEERN CC(C)[C@H](C)NC(=O)c1cccc(C#N)c1 ZINC000020304740 349351969 /nfs/dbraw/zinc/35/19/69/349351969.db2.gz ZTKVASMFPXFOLR-JTQLQIEISA-N 0 0 216.284 2.333 10 30 BEEERN C=C(Cn1ccccc1=O)C(=O)c1ccsc1 ZINC000029315725 190983015 /nfs/dbraw/zinc/98/30/15/190983015.db2.gz ZNYZORVWVBVFEA-UHFFFAOYSA-N 0 0 245.303 2.349 10 30 BEEERN Cc1noc(C)c1CN[C@@H]1CCCC[C@@H]1C#N ZINC000092339550 362947061 /nfs/dbraw/zinc/94/70/61/362947061.db2.gz PKJWUFBFJLYCNU-DGCLKSJQSA-N 0 0 233.315 2.463 10 30 BEEERN O=CC[C@@H](O)c1ccc2ccccc2c1 ZINC000159371457 350080455 /nfs/dbraw/zinc/08/04/55/350080455.db2.gz AUGBIUIZATWSAG-CYBMUJFWSA-N 0 0 200.237 2.462 10 30 BEEERN C=CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235428383 191005448 /nfs/dbraw/zinc/00/54/48/191005448.db2.gz RHVSCADHCZLGIV-MRVPVSSYSA-N 0 0 232.243 2.238 10 30 BEEERN CC(C)[C@H](C)NC(=O)C1(C#N)CC(C)C1 ZINC000122315900 350104944 /nfs/dbraw/zinc/10/49/44/350104944.db2.gz RUYNANDDJATHGS-YZRBJQDESA-N 0 0 208.305 2.087 10 30 BEEERN C=CCOc1cc(OC)c(C)cc1C(=O)OC ZINC000039187290 350113476 /nfs/dbraw/zinc/11/34/76/350113476.db2.gz IMPIKIGTYXAARS-UHFFFAOYSA-N 0 0 236.267 2.355 10 30 BEEERN C#CC[C@H](NC(=O)OC(C)(C)C)C(=N)SC ZINC000218458062 350094444 /nfs/dbraw/zinc/09/44/44/350094444.db2.gz WFHHGPGEJURKOT-QMMMGPOBSA-N 0 0 242.344 2.243 10 30 BEEERN C=C[C@]1(COCc2ccccc2)CCC(=O)O1 ZINC000038976719 350114403 /nfs/dbraw/zinc/11/44/03/350114403.db2.gz ZCQWOUIBPYRFHA-CQSZACIVSA-N 0 0 232.279 2.465 10 30 BEEERN C[C@H](C#N)NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000604543645 350143799 /nfs/dbraw/zinc/14/37/99/350143799.db2.gz NSRZLIUGGCISGO-UMNHJUIQSA-N 0 0 246.310 2.364 10 30 BEEERN Cc1nc2ccccc2n1CCCC/C(N)=N/O ZINC000049580315 180104595 /nfs/dbraw/zinc/10/45/95/180104595.db2.gz YFHTYPOICOBEEH-UHFFFAOYSA-N 0 0 246.314 2.261 10 30 BEEERN C=CCOc1ccc2c(c1)C(=O)NC(C)(C)O2 ZINC000034143271 350171171 /nfs/dbraw/zinc/17/11/71/350171171.db2.gz PRCAMCFGDYDJOB-UHFFFAOYSA-N 0 0 233.267 2.110 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C=O)C1 ZINC000098096011 191061584 /nfs/dbraw/zinc/06/15/84/191061584.db2.gz HFZOJUONOHDPHP-UWVGGRQHSA-N 0 0 227.304 2.269 10 30 BEEERN CCOC(=O)C/C=C(\C)C(=O)c1cc(C)on1 ZINC000220291664 350169890 /nfs/dbraw/zinc/16/98/90/350169890.db2.gz ASAYNXNHYLIRKV-VMPITWQZSA-N 0 0 237.255 2.065 10 30 BEEERN Cc1nn(Cc2ccccc2)c(C)c1/C=N/O ZINC000100654949 191063515 /nfs/dbraw/zinc/06/35/15/191063515.db2.gz PGJINSLINBVDJQ-RIYZIHGNSA-N 0 0 229.283 2.356 10 30 BEEERN Cc1nccc(CN[C@H]2CCCCC[C@@H]2C#N)n1 ZINC000054825894 180190755 /nfs/dbraw/zinc/19/07/55/180190755.db2.gz IOTDFEVSZNPIIA-OCCSQVGLSA-N 0 0 244.342 2.347 10 30 BEEERN Cc1ccnc(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000328197705 350392348 /nfs/dbraw/zinc/39/23/48/350392348.db2.gz RZZUQXRCDNSYDH-WCQYABFASA-N 0 0 215.300 2.172 10 30 BEEERN C#CCn1cc(C=O)c(-c2cccs2)n1 ZINC000409436841 350479600 /nfs/dbraw/zinc/47/96/00/350479600.db2.gz BIMHFEKTMFWWPY-UHFFFAOYSA-N 0 0 216.265 2.057 10 30 BEEERN N#CCn1ccn2nc(C3CCCC3)cc12 ZINC000409437390 350481032 /nfs/dbraw/zinc/48/10/32/350481032.db2.gz FZVMZFNPODCLLP-UHFFFAOYSA-N 0 0 214.272 2.317 10 30 BEEERN N#CCn1nc(C(F)(F)F)c2c1CCSC2 ZINC000409440402 350482496 /nfs/dbraw/zinc/48/24/96/350482496.db2.gz SUZXZSCTMVFQHA-UHFFFAOYSA-N 0 0 247.245 2.215 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@@]12CCC[C@H]2C ZINC000252579083 538094465 /nfs/dbraw/zinc/09/44/65/538094465.db2.gz MXIFDOKLEJLRJY-ADEWGFFLSA-N 0 0 212.289 2.287 10 30 BEEERN Cc1nnc(N(CCC#N)C(C)C)c(C#N)c1C ZINC000042530033 180421550 /nfs/dbraw/zinc/42/15/50/180421550.db2.gz UUYAJUZZSUIOML-UHFFFAOYSA-N 0 0 243.314 2.094 10 30 BEEERN Cc1nnc(N[C@H](C)C(C)C)c(C#N)c1C ZINC000040217671 180436542 /nfs/dbraw/zinc/43/65/42/180436542.db2.gz PZODLTCAVKCJDZ-SECBINFHSA-N 0 0 218.304 2.422 10 30 BEEERN CCc1cnc(CN[C@H]2CCCC[C@@H]2C#N)o1 ZINC000231645594 350632668 /nfs/dbraw/zinc/63/26/68/350632668.db2.gz SPUDYQZETCVETG-PWSUYJOCSA-N 0 0 233.315 2.409 10 30 BEEERN CCN1CCOCC[C@H]1c1ccccc1C#N ZINC000616597807 350653606 /nfs/dbraw/zinc/65/36/06/350653606.db2.gz KZZXGFXQTNUVFG-AWEZNQCLSA-N 0 0 230.311 2.342 10 30 BEEERN N#Cc1cccnc1N[C@H]1CCC[C@H]1C#N ZINC000390821928 259416224 /nfs/dbraw/zinc/41/62/24/259416224.db2.gz ZWQNEGNDUPOSKP-ONGXEEELSA-N 0 0 212.256 2.057 10 30 BEEERN C[C@H](C#N)N(C)Cc1coc(Br)c1 ZINC000306677437 350831006 /nfs/dbraw/zinc/83/10/06/350831006.db2.gz YVRMEXLQESXJEU-SSDOTTSWSA-N 0 0 243.104 2.386 10 30 BEEERN CC(=O)c1nc(C(C)(C)C#N)sc1C ZINC000306679851 350834327 /nfs/dbraw/zinc/83/43/27/350834327.db2.gz JAVUNBVUWQOVAC-UHFFFAOYSA-N 0 0 208.286 2.455 10 30 BEEERN CC[C@](C)(CCO)Nc1cc(C#N)cc(C)n1 ZINC000228619135 350848757 /nfs/dbraw/zinc/84/87/57/350848757.db2.gz LLWOKHFJRLGLOK-CYBMUJFWSA-N 0 0 233.315 2.225 10 30 BEEERN C#CCN[C@H](C#N)c1ccccc1Br ZINC000051963026 350828963 /nfs/dbraw/zinc/82/89/63/350828963.db2.gz FTNFKFXBXQATIU-LLVKDONJSA-N 0 0 249.111 2.237 10 30 BEEERN C#CCNCc1ccsc1Br ZINC000306733171 350903135 /nfs/dbraw/zinc/90/31/35/350903135.db2.gz MVTDVQDXVSNLGR-UHFFFAOYSA-N 0 0 230.130 2.233 10 30 BEEERN CC(=O)N1CCC(c2ccccc2C#N)CC1 ZINC000616619360 350926798 /nfs/dbraw/zinc/92/67/98/350926798.db2.gz IMUZUGVVJOZERL-UHFFFAOYSA-N 0 0 228.295 2.284 10 30 BEEERN O=C(C1=COCC1)[C@@H]1Cc2ccccc21 ZINC000306724364 350892750 /nfs/dbraw/zinc/89/27/50/350892750.db2.gz IOXWTLZVNVIFPV-GFCCVEGCSA-N 0 0 200.237 2.200 10 30 BEEERN Cc1cncc(C[C@]2(C=O)CCCS2)c1 ZINC000306725739 350896466 /nfs/dbraw/zinc/89/64/66/350896466.db2.gz LAZGTIOWMXODSK-LBPRGKRZSA-N 0 0 221.325 2.397 10 30 BEEERN C#Cc1nc2ccc(Br)cn2c1C ZINC000159731763 350988944 /nfs/dbraw/zinc/98/89/44/350988944.db2.gz FVFGRKDEGVDLFW-UHFFFAOYSA-N 0 0 235.084 2.387 10 30 BEEERN CC[C@H](S)C(=O)N1CCC(C)=C(C)C1 ZINC000306763100 350992945 /nfs/dbraw/zinc/99/29/45/350992945.db2.gz FRSMSCZODOIRBI-JTQLQIEISA-N 0 0 213.346 2.264 10 30 BEEERN Cc1ncc(CN[C@@H]2CCCC[C@@H]2C#N)o1 ZINC000397939550 350993960 /nfs/dbraw/zinc/99/39/60/350993960.db2.gz ZAIJTTYHQUCHIF-ZYHUDNBSSA-N 0 0 219.288 2.155 10 30 BEEERN CC(C)N1CCO[C@@H](c2ccccc2C#N)C1 ZINC000616644670 351162563 /nfs/dbraw/zinc/16/25/63/351162563.db2.gz HCXMVIDVNACBCQ-CQSZACIVSA-N 0 0 230.311 2.340 10 30 BEEERN CCN1CCCOC[C@H]1c1ccccc1C#N ZINC000616649660 351179669 /nfs/dbraw/zinc/17/96/69/351179669.db2.gz PXIRHMHVMDNDCL-AWEZNQCLSA-N 0 0 230.311 2.342 10 30 BEEERN N#Cc1cc(O)cc(Br)c1F ZINC000306827426 351135719 /nfs/dbraw/zinc/13/57/19/351135719.db2.gz HDUZQQATLIXPGV-UHFFFAOYSA-N 0 0 216.009 2.165 10 30 BEEERN C[C@@]1(c2ccc(F)cc2)CC[C@H](C=O)O1 ZINC000306872342 351268020 /nfs/dbraw/zinc/26/80/20/351268020.db2.gz UWUGODHNMRQOPU-NEPJUHHUSA-N 0 0 208.232 2.419 10 30 BEEERN COc1c(F)cc(F)c(CC#N)c1F ZINC000306967076 351385447 /nfs/dbraw/zinc/38/54/47/351385447.db2.gz GEGZAGVLSYENEX-UHFFFAOYSA-N 0 0 201.147 2.179 10 30 BEEERN N#Cc1ccnc(N2CCC[C@H]3CCC[C@@H]32)n1 ZINC000231902829 351452326 /nfs/dbraw/zinc/45/23/26/351452326.db2.gz HVVVNGMOZPZBDW-PWSUYJOCSA-N 0 0 228.299 2.117 10 30 BEEERN C[C@@H](C#N)C(=O)c1coc(Br)c1 ZINC000306998402 351412815 /nfs/dbraw/zinc/41/28/15/351412815.db2.gz YEDGNDPLORWMMI-YFKPBYRVSA-N 0 0 228.045 2.384 10 30 BEEERN C#C[C@@H](CC)Nc1cnc(Br)cn1 ZINC000307006517 351415758 /nfs/dbraw/zinc/41/57/58/351415758.db2.gz GDIFBSHSHDTXNC-ZETCQYMHSA-N 0 0 240.104 2.063 10 30 BEEERN C[C@H](CN[C@@H](C)C#N)COCc1ccccc1 ZINC000307020538 351424670 /nfs/dbraw/zinc/42/46/70/351424670.db2.gz TVYKYLSHLYBJFK-OLZOCXBDSA-N 0 0 232.327 2.341 10 30 BEEERN CN(C)[C@@H](C#N)c1cccc(O)c1Cl ZINC000307143648 351502297 /nfs/dbraw/zinc/50/22/97/351502297.db2.gz FPICURIGEBWNNT-QMMMGPOBSA-N 0 0 210.664 2.172 10 30 BEEERN O=C1C=C(N2CCC=C(Br)C2)CC1 ZINC000404462106 351468651 /nfs/dbraw/zinc/46/86/51/351468651.db2.gz IRNRFIRPZPQTIG-UHFFFAOYSA-N 0 0 242.116 2.218 10 30 BEEERN Cc1ccc(COC2CC(C#N)(CO)C2)cc1 ZINC000606302131 351553633 /nfs/dbraw/zinc/55/36/33/351553633.db2.gz DAHWJRDWIACSDK-UHFFFAOYSA-N 0 0 231.295 2.176 10 30 BEEERN CN[C@@H](C#N)c1cccc(F)c1Br ZINC000307254960 351787295 /nfs/dbraw/zinc/78/72/95/351787295.db2.gz YVNLLHFSFIMZLB-QMMMGPOBSA-N 0 0 243.079 2.372 10 30 BEEERN CC[C@H]1CC[C@H](C(=O)C(C#N)C#N)CC1 ZINC000307259043 351800492 /nfs/dbraw/zinc/80/04/92/351800492.db2.gz KCIVCELRPVIBEZ-MGCOHNPYSA-N 0 0 204.273 2.435 10 30 BEEERN COC(=O)c1cc(Cl)c(F)c(C#N)c1 ZINC000307271002 351823553 /nfs/dbraw/zinc/82/35/53/351823553.db2.gz AYPQSJOXFHNTJJ-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN CN(C)c1ccc(C2=CC(=O)C[C@@](C)(O)C2)cc1 ZINC000040174958 351930541 /nfs/dbraw/zinc/93/05/41/351930541.db2.gz BQJDBMMKEULYPN-HNNXBMFYSA-N 0 0 245.322 2.250 10 30 BEEERN COc1cc(C#N)ccc1CNC(=O)CC(C)C ZINC000725269566 538101815 /nfs/dbraw/zinc/10/18/15/538101815.db2.gz WKWQNVMPUOTZTR-UHFFFAOYSA-N 0 0 246.310 2.229 10 30 BEEERN N#CCN(C[C@@H]1Cc2ccccc21)C1CC1 ZINC000287391288 352124540 /nfs/dbraw/zinc/12/45/40/352124540.db2.gz RHKPDCGUHLECOI-LBPRGKRZSA-N 0 0 212.296 2.314 10 30 BEEERN CC(C)(C)c1ccc([C@H](C#N)NCCO)cc1 ZINC000020175332 187590797 /nfs/dbraw/zinc/59/07/97/187590797.db2.gz WWFJSGZXPUENDT-ZDUSSCGKSA-N 0 0 232.327 2.131 10 30 BEEERN N#CCc1ccc(O[C@@H]2CCC[C@@H]2O)cc1 ZINC000037690281 187597376 /nfs/dbraw/zinc/59/73/76/187597376.db2.gz MKEFHKQRQXYAOI-QWHCGFSZSA-N 0 0 217.268 2.045 10 30 BEEERN C[C@@H](NC(=O)[C@@H](C)CC#N)c1ccccc1 ZINC000049816052 187609324 /nfs/dbraw/zinc/60/93/24/187609324.db2.gz VIAMLLKFQHNSEO-WDEREUQCSA-N 0 0 216.284 2.414 10 30 BEEERN Cc1ccnc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000328197503 352181359 /nfs/dbraw/zinc/18/13/59/352181359.db2.gz RZZUQXRCDNSYDH-AAEUAGOBSA-N 0 0 215.300 2.172 10 30 BEEERN CC(C)[S@](=O)[C@H]1C[C@H](C)CC[C@@H]1C#N ZINC000252115435 363123776 /nfs/dbraw/zinc/12/37/76/363123776.db2.gz KDOINKFUTCJKQB-PUHVVEEASA-N 0 0 213.346 2.472 10 30 BEEERN CC(C)=CCC[C@]1(C)O[C@@H]1COC(C)=O ZINC000104836008 187644657 /nfs/dbraw/zinc/64/46/57/187644657.db2.gz HUUKHKAFVDAFIX-NEPJUHHUSA-N 0 0 212.289 2.453 10 30 BEEERN C#CC(=O)c1cscc1Br ZINC000404835063 352589299 /nfs/dbraw/zinc/58/92/99/352589299.db2.gz ZNYLVLXDPXFQKM-UHFFFAOYSA-N 0 0 215.071 2.327 10 30 BEEERN CO[C@H](C=O)c1cc(Br)cs1 ZINC000307455093 352608246 /nfs/dbraw/zinc/60/82/46/352608246.db2.gz BZASQICSIWLXDM-ZCFIWIBFSA-N 0 0 235.102 2.397 10 30 BEEERN O=C[C@@H]1CC[C@H](c2ccc(F)c(F)c2)O1 ZINC000307407402 352581756 /nfs/dbraw/zinc/58/17/56/352581756.db2.gz CKVHOZGPBBNPGV-GZMMTYOYSA-N 0 0 212.195 2.384 10 30 BEEERN CO/N=C/c1cc(Br)cc(C)c1O ZINC000307586924 352661445 /nfs/dbraw/zinc/66/14/45/352661445.db2.gz RHUOUFFJPQEDRD-VZUCSPMQSA-N 0 0 244.088 2.443 10 30 BEEERN Cc1nccc([C@@]2(C#N)CCCS2)n1 ZINC000307508972 352627629 /nfs/dbraw/zinc/62/76/29/352627629.db2.gz RYCSWHSVVYAZKR-JTQLQIEISA-N 0 0 205.286 2.031 10 30 BEEERN Cc1nccc([C@]2(C#N)CCCS2)n1 ZINC000307508973 352627693 /nfs/dbraw/zinc/62/76/93/352627693.db2.gz RYCSWHSVVYAZKR-SNVBAGLBSA-N 0 0 205.286 2.031 10 30 BEEERN N#Cc1ccc(C(F)(F)F)c(C[NH3+])c1 ZINC000307512793 352632196 /nfs/dbraw/zinc/63/21/96/352632196.db2.gz PVXGTUQXYKBCEQ-UHFFFAOYSA-N 0 0 200.163 2.036 10 30 BEEERN C=C(C)CN(CC)C(=O)c1cccc(N)c1 ZINC000019477403 187882867 /nfs/dbraw/zinc/88/28/67/187882867.db2.gz DHPXOWWGUONPHU-UHFFFAOYSA-N 0 0 218.300 2.307 10 30 BEEERN CC(C)[C@@H](C)NC(=O)N1CCC(C)(C#N)CC1 ZINC000334236551 352854429 /nfs/dbraw/zinc/85/44/29/352854429.db2.gz LIYIOXXDMAWHCK-LLVKDONJSA-N 0 0 237.347 2.366 10 30 BEEERN C=C1C[C@@H](Cc2ccccc2)COC1=O ZINC000090663286 187923695 /nfs/dbraw/zinc/92/36/95/187923695.db2.gz XBUOKKOORXPZLR-LBPRGKRZSA-N 0 0 202.253 2.348 10 30 BEEERN N#C[C@@H](NCC(F)(F)F)c1ccc(O)cc1 ZINC000037971061 187942600 /nfs/dbraw/zinc/94/26/00/187942600.db2.gz YZWHYWLEBPBARX-SECBINFHSA-N 0 0 230.189 2.109 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000123123548 187983169 /nfs/dbraw/zinc/98/31/69/187983169.db2.gz YGDNNQYOLJNQJM-XCBNKYQSSA-N 0 0 217.228 2.287 10 30 BEEERN C=CC[C@@H](O)c1ccc(NC(C)=O)cc1 ZINC000022003210 188008169 /nfs/dbraw/zinc/00/81/69/188008169.db2.gz GAHYFCQHDQBLRJ-GFCCVEGCSA-N 0 0 205.257 2.255 10 30 BEEERN CC(C)N(CC#N)C(=O)C1CCCCC1 ZINC000057495510 188009313 /nfs/dbraw/zinc/00/93/13/188009313.db2.gz OPCITLBWVUBDOC-UHFFFAOYSA-N 0 0 208.305 2.327 10 30 BEEERN CC#CCCNc1nc(Cl)nc(Cl)n1 ZINC000229330933 353124829 /nfs/dbraw/zinc/12/48/29/353124829.db2.gz LRQQMENDSSILBF-UHFFFAOYSA-N 0 0 231.086 2.004 10 30 BEEERN N#Cc1ccnc(NCCSC(F)(F)F)n1 ZINC000231948525 188015884 /nfs/dbraw/zinc/01/58/84/188015884.db2.gz QEZGYAWBBVCYJL-UHFFFAOYSA-N 0 0 248.233 2.013 10 30 BEEERN C=CCCNc1nnc(Br)s1 ZINC000229330513 353121199 /nfs/dbraw/zinc/12/11/99/353121199.db2.gz WPCLHWWRMWGINP-UHFFFAOYSA-N 0 0 234.122 2.289 10 30 BEEERN C#CC[C@H](C)Nc1nsnc1Cl ZINC000229328028 353121251 /nfs/dbraw/zinc/12/12/51/353121251.db2.gz RXPIIYQMHGRDQX-YFKPBYRVSA-N 0 0 201.682 2.015 10 30 BEEERN C#CC[C@@H](C)Nc1nsnc1Cl ZINC000229328020 353121358 /nfs/dbraw/zinc/12/13/58/353121358.db2.gz RXPIIYQMHGRDQX-RXMQYKEDSA-N 0 0 201.682 2.015 10 30 BEEERN N#C[C@@]1(C[C@@H](O)C(F)(F)F)CCCS1 ZINC000307732277 353121361 /nfs/dbraw/zinc/12/13/61/353121361.db2.gz PDAYPWALUNQXPU-RQJHMYQMSA-N 0 0 225.235 2.089 10 30 BEEERN N#Cc1ccccc1Sc1ncccn1 ZINC000020077589 188005062 /nfs/dbraw/zinc/00/50/62/188005062.db2.gz UXLMEPFOONVMDD-UHFFFAOYSA-N 0 0 213.265 2.499 10 30 BEEERN C#CCS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000075491888 188049165 /nfs/dbraw/zinc/04/91/65/188049165.db2.gz PFWNGVSZAXHPNY-UHFFFAOYSA-N 0 0 249.118 2.400 10 30 BEEERN Cc1cc(C#N)cc(NC(=O)N2CC3(CC3)C2)c1 ZINC000333645097 188054084 /nfs/dbraw/zinc/05/40/84/188054084.db2.gz JNUHCJGPMRFADW-UHFFFAOYSA-N 0 0 241.294 2.494 10 30 BEEERN C=CC[C@@H](C)Nc1nc(C)nc(C)c1F ZINC000336760723 353171977 /nfs/dbraw/zinc/17/19/77/353171977.db2.gz MMSVSMVTAKBRJH-SSDOTTSWSA-N 0 0 209.268 2.031 10 30 BEEERN C#CC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000051074471 353173395 /nfs/dbraw/zinc/17/33/95/353173395.db2.gz JLKIPYHLWAHYLP-SECBINFHSA-N 0 0 200.159 2.161 10 30 BEEERN CCCc1nsc(N[C@H]2CCC[C@H]2C#N)n1 ZINC000336757054 353160408 /nfs/dbraw/zinc/16/04/08/353160408.db2.gz HLEGPYNJMZODLE-IUCAKERBSA-N 0 0 236.344 2.017 10 30 BEEERN CC[C@]1(c2cccc(C)c2)O[C@H]1C(=O)OC ZINC000309250818 538110960 /nfs/dbraw/zinc/11/09/60/538110960.db2.gz ZQRVJBIUYODNDP-WCQYABFASA-N 0 0 220.268 2.172 10 30 BEEERN C=C(C(=O)OC)[C@@H](O)c1cc2ccccc2o1 ZINC000019835524 188231688 /nfs/dbraw/zinc/23/16/88/188231688.db2.gz FPQKFASQRRVQCS-GFCCVEGCSA-N 0 0 232.235 2.195 10 30 BEEERN C=C(C(=O)OC)[C@H](O)c1ccc(C)cc1C ZINC000019835315 188231942 /nfs/dbraw/zinc/23/19/42/188231942.db2.gz BSWCJUPSFYEOAW-LBPRGKRZSA-N 0 0 220.268 2.066 10 30 BEEERN C=C(Cl)CN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000177046769 188252976 /nfs/dbraw/zinc/25/29/76/188252976.db2.gz YXGMNGMVDQSAQY-VIFPVBQESA-N 0 0 233.739 2.401 10 30 BEEERN C=CCCC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175726557 188253061 /nfs/dbraw/zinc/25/30/61/188253061.db2.gz YTIKLYHJFNOHDJ-SNVBAGLBSA-N 0 0 241.331 2.141 10 30 BEEERN Cn1c(C#N)ccc1-c1ccc(N)cc1C#N ZINC000034948124 188271265 /nfs/dbraw/zinc/27/12/65/188271265.db2.gz PUCDWBFWHOLURA-UHFFFAOYSA-N 0 0 222.251 2.018 10 30 BEEERN C/C(=N\O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000019506151 188280533 /nfs/dbraw/zinc/28/05/33/188280533.db2.gz QKUDBRHQPITISC-SUEOTCPOSA-N 0 0 232.283 2.479 10 30 BEEERN C/C(=N\O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000019481102 188280897 /nfs/dbraw/zinc/28/08/97/188280897.db2.gz XWRWDMMVAGURBM-DGGAMASNSA-N 0 0 248.282 2.002 10 30 BEEERN CC(=O)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000019408613 188280911 /nfs/dbraw/zinc/28/09/11/188280911.db2.gz NOBVKLNXZASDRE-UHFFFAOYSA-N 0 0 248.307 2.026 10 30 BEEERN CC(C)(C)c1cccc(OC[C@@H](N)C#N)c1 ZINC000019665836 188281630 /nfs/dbraw/zinc/28/16/30/188281630.db2.gz WVTDSNMVKXQTPH-NSHDSACASA-N 0 0 218.300 2.214 10 30 BEEERN CC(C)COc1nc(N(C)CCC#N)ccc1N ZINC000037066580 188286662 /nfs/dbraw/zinc/28/66/62/188286662.db2.gz DUEYQIHXYMEFKL-UHFFFAOYSA-N 0 0 248.330 2.048 10 30 BEEERN CC(C)[C@H](C)N(C)c1ncc(N)cc1C#N ZINC000037759137 188288087 /nfs/dbraw/zinc/28/80/87/188288087.db2.gz MINOLNASGMERBO-VIFPVBQESA-N 0 0 218.304 2.016 10 30 BEEERN C=CC(=O)N(CC)Cc1ccc(C#N)cc1F ZINC000037831748 188288565 /nfs/dbraw/zinc/28/85/65/188288565.db2.gz POFYTPFAXHXAFD-UHFFFAOYSA-N 0 0 232.258 2.232 10 30 BEEERN CC=C1CC(Br)C(=O)C1=O ZINC000038293207 188291018 /nfs/dbraw/zinc/29/10/18/188291018.db2.gz NQVNAAAGHNVVRE-RQOWECAXSA-N 0 0 203.035 2.070 10 30 BEEERN N#Cc1cc(NC[C@H]2CCOC2)ccc1F ZINC000051635523 188299929 /nfs/dbraw/zinc/29/99/29/188299929.db2.gz XNVVCLFJZKENRL-SECBINFHSA-N 0 0 220.247 2.146 10 30 BEEERN C/C(=N/O)c1ccc(F)cc1O[C@@H]1CCOC1 ZINC000070072224 188305196 /nfs/dbraw/zinc/30/51/96/188305196.db2.gz JAXCZPAAXCIFPD-DOQDJBIESA-N 0 0 239.246 2.192 10 30 BEEERN C#C[C@@H](NC)c1cc(Br)ccc1F ZINC000165329253 353305520 /nfs/dbraw/zinc/30/55/20/353305520.db2.gz KHFJOWGJBYDYTK-SNVBAGLBSA-N 0 0 242.091 2.482 10 30 BEEERN N#CCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000053994822 188259392 /nfs/dbraw/zinc/25/93/92/188259392.db2.gz LGFPPWBYBNTQBJ-UHFFFAOYSA-N 0 0 218.647 2.191 10 30 BEEERN COCC1(C[NH2+][C@H]2CCCC[C@H]2C#N)CCC1 ZINC000383478625 353334068 /nfs/dbraw/zinc/33/40/68/353334068.db2.gz AHIZVOKQSIBWLD-STQMWFEESA-N 0 0 236.359 2.475 10 30 BEEERN C/C(=N/O)c1cccc(OC[C@@H]2CCOC2)c1 ZINC000049688850 188327485 /nfs/dbraw/zinc/32/74/85/188327485.db2.gz KQUZCBNKJVAUHD-UXEDPAHQSA-N 0 0 235.283 2.300 10 30 BEEERN CC(=O)/C=C/c1ccc(Br)cn1 ZINC000130124932 353340123 /nfs/dbraw/zinc/34/01/23/353340123.db2.gz HIJUGSMTVCNSQY-DUXPYHPUSA-N 0 0 226.073 2.446 10 30 BEEERN C=CCN(CC=C)C(=O)[C@H]1CCCO[C@H]1C ZINC000190311417 353392782 /nfs/dbraw/zinc/39/27/82/353392782.db2.gz HDPXJEQOWYSCPT-RYUDHWBXSA-N 0 0 223.316 2.002 10 30 BEEERN CCc1onc(C)c1C(=O)N(CC)C[C@H](C)C#N ZINC000131326804 353373124 /nfs/dbraw/zinc/37/31/24/353373124.db2.gz VTGHZAYGTBNWEB-SECBINFHSA-N 0 0 249.314 2.167 10 30 BEEERN [NH3+]CC#Cc1cc2cccc(Cl)c2o1 ZINC000131811931 353376060 /nfs/dbraw/zinc/37/60/60/353376060.db2.gz OKKSUNABYYBOCU-UHFFFAOYSA-N 0 0 205.644 2.396 10 30 BEEERN N#CCCn1cc(CO)c2ccccc21 ZINC000021953212 188355624 /nfs/dbraw/zinc/35/56/24/188355624.db2.gz OMLHGXKSEGHKNO-UHFFFAOYSA-N 0 0 200.241 2.047 10 30 BEEERN C=C(C)[C@@](O)(C#COCC)c1ccccc1 ZINC000096675591 188366018 /nfs/dbraw/zinc/36/60/18/188366018.db2.gz PUEKMOPMRDMKNG-AWEZNQCLSA-N 0 0 216.280 2.448 10 30 BEEERN C=C(C)[C@](O)(C#COCC)c1ccccc1 ZINC000096675592 188366582 /nfs/dbraw/zinc/36/65/82/188366582.db2.gz PUEKMOPMRDMKNG-CQSZACIVSA-N 0 0 216.280 2.448 10 30 BEEERN C#CCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182412342 353475465 /nfs/dbraw/zinc/47/54/65/353475465.db2.gz XPQUIPNDAJSARD-FZMZJTMJSA-N 0 0 242.322 2.161 10 30 BEEERN C=C1CCCN(Cc2ccccc2)C1=O ZINC000095934679 188405772 /nfs/dbraw/zinc/40/57/72/188405772.db2.gz PADHDVYJQNBJSG-UHFFFAOYSA-N 0 0 201.269 2.365 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1CC#Cc1ccccc1 ZINC000192037669 353532238 /nfs/dbraw/zinc/53/22/38/353532238.db2.gz BMJOSSOBHDPRMA-ZIAGYGMSSA-N 0 0 229.323 2.147 10 30 BEEERN COc1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061889190 353543436 /nfs/dbraw/zinc/54/34/36/353543436.db2.gz GBUZCZRQUZAGHU-AAEUAGOBSA-N 0 0 244.294 2.117 10 30 BEEERN C#C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000186005180 353864170 /nfs/dbraw/zinc/86/41/70/353864170.db2.gz LNHUWKUCJZFEFC-NEPJUHHUSA-N 0 0 230.311 2.377 10 30 BEEERN N#CC1(c2ccc3c(c2)OCCO3)CCOCC1 ZINC000036924941 181031624 /nfs/dbraw/zinc/03/16/24/181031624.db2.gz XSDVTGWAOJGYIZ-UHFFFAOYSA-N 0 0 245.278 2.030 10 30 BEEERN N#CC1(NC(=O)Cc2ccccc2)CCCC1 ZINC000040215056 181029618 /nfs/dbraw/zinc/02/96/18/181029618.db2.gz RSPUWPGHIFDVFK-UHFFFAOYSA-N 0 0 228.295 2.182 10 30 BEEERN N#CC1(NC(=O)[C@@H]2C[C@@H]2c2ccco2)CCCC1 ZINC000127506571 181029673 /nfs/dbraw/zinc/02/96/73/181029673.db2.gz QHLSBTFXQZTZGC-WDEREUQCSA-N 0 0 244.294 2.336 10 30 BEEERN N#CCC(=O)Nc1cc(F)ccc1Cl ZINC000083347171 181034150 /nfs/dbraw/zinc/03/41/50/181034150.db2.gz RFSAHKHZCVZJRX-UHFFFAOYSA-N 0 0 212.611 2.331 10 30 BEEERN N#CCNCc1ccc(Br)s1 ZINC000038018635 181043384 /nfs/dbraw/zinc/04/33/84/181043384.db2.gz JXJGSEBRWVPMCF-UHFFFAOYSA-N 0 0 231.118 2.124 10 30 BEEERN N#CCOc1cccc(NCC2CCOCC2)c1 ZINC000052177732 181044152 /nfs/dbraw/zinc/04/41/52/181044152.db2.gz OBAKXXGDCGEGKT-UHFFFAOYSA-N 0 0 246.310 2.427 10 30 BEEERN N#CC[C@@H](NC[C@@H]1CCCO1)c1ccccc1 ZINC000055015806 181044856 /nfs/dbraw/zinc/04/48/56/181044856.db2.gz MWKNGRJYOADZTQ-UONOGXRCSA-N 0 0 230.311 2.410 10 30 BEEERN N#CC[C@@H](NC[C@@H](O)C1CC1)c1ccccc1 ZINC000071304878 181044873 /nfs/dbraw/zinc/04/48/73/181044873.db2.gz UDMFOCPUYMWTGV-ZIAGYGMSSA-N 0 0 230.311 2.002 10 30 BEEERN N#CC[C@@H](N)c1ccc(Br)cc1 ZINC000071532014 181044917 /nfs/dbraw/zinc/04/49/17/181044917.db2.gz USZBSIPPVCXNKC-SECBINFHSA-N 0 0 225.089 2.363 10 30 BEEERN N#CC[C@H](NCCn1ccnc1)c1ccccc1 ZINC000055017831 181045930 /nfs/dbraw/zinc/04/59/30/181045930.db2.gz YFQATYOSQYTFHG-AWEZNQCLSA-N 0 0 240.310 2.128 10 30 BEEERN N#CCc1cc(Br)cc2c[nH]nc21 ZINC000089197189 181047371 /nfs/dbraw/zinc/04/73/71/181047371.db2.gz CBGZICSHFKSBRD-UHFFFAOYSA-N 0 0 236.072 2.391 10 30 BEEERN N#CCc1nc2ccccc2n1[C@@H]1CCOC1 ZINC000070073203 181049696 /nfs/dbraw/zinc/04/96/96/181049696.db2.gz KJZVKKANPLIXOH-SNVBAGLBSA-N 0 0 227.267 2.064 10 30 BEEERN N#CCc1nc2ccccc2n1-c1ccccn1 ZINC000111762332 181049846 /nfs/dbraw/zinc/04/98/46/181049846.db2.gz RJPZOLNHHXXFBG-UHFFFAOYSA-N 0 0 234.262 2.487 10 30 BEEERN N#C[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000061614193 181054349 /nfs/dbraw/zinc/05/43/49/181054349.db2.gz YFHNQSGMKRYMGU-CYBMUJFWSA-N 0 0 228.295 2.306 10 30 BEEERN N#C[C@@H](NC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000037939846 181057473 /nfs/dbraw/zinc/05/74/73/181057473.db2.gz CSOJJQIEYLDIFX-QWHCGFSZSA-N 0 0 234.274 2.159 10 30 BEEERN N#C[C@@H](N)COc1cc(Cl)ccc1Cl ZINC000019666057 181056686 /nfs/dbraw/zinc/05/66/86/181056686.db2.gz NHNFDJSOPUQATO-SSDOTTSWSA-N 0 0 231.082 2.223 10 30 BEEERN N#C[C@@H](NC[C@@H]1CCCO1)c1ccccc1F ZINC000037940184 181056964 /nfs/dbraw/zinc/05/69/64/181056964.db2.gz ZWCDCHYJYFSLFK-GXFFZTMASA-N 0 0 234.274 2.159 10 30 BEEERN N#C[C@@H](NCCO)c1ccc(Cl)cc1Cl ZINC000020176982 181056994 /nfs/dbraw/zinc/05/69/94/181056994.db2.gz SDBIMPIMIZSRLY-SNVBAGLBSA-N 0 0 245.109 2.140 10 30 BEEERN N#CCc1cc(Br)ccc1O ZINC000083593186 181047878 /nfs/dbraw/zinc/04/78/78/181047878.db2.gz KMMLOSHWQUOMSP-UHFFFAOYSA-N 0 0 212.046 2.221 10 30 BEEERN N#CCc1ccc(Br)cc1C=O ZINC000095911128 181047960 /nfs/dbraw/zinc/04/79/60/181047960.db2.gz FVVKQWFGZZYWSE-UHFFFAOYSA-N 0 0 224.057 2.328 10 30 BEEERN N#C[C@H](CCc1ccccc1)NC[C@H]1CCCO1 ZINC000061625265 181064097 /nfs/dbraw/zinc/06/40/97/181064097.db2.gz OFDRUMKALZNRNV-LSDHHAIUSA-N 0 0 244.338 2.280 10 30 BEEERN N#C[C@H](N)CCOc1cccc2ccccc21 ZINC000019666752 181065299 /nfs/dbraw/zinc/06/52/99/181065299.db2.gz OVQOXZAHLYWBSZ-GFCCVEGCSA-N 0 0 226.279 2.460 10 30 BEEERN N#C[C@H](NCc1ccccc1)c1ccccn1 ZINC000019985474 181066184 /nfs/dbraw/zinc/06/61/84/181066184.db2.gz IPLRMMODGVABHC-AWEZNQCLSA-N 0 0 223.279 2.436 10 30 BEEERN N#C[C@H](Nc1cccc(F)c1)[C@@H]1CCOC1 ZINC000037936983 181066296 /nfs/dbraw/zinc/06/62/96/181066296.db2.gz VCJOAPQGLADVRN-SKDRFNHKSA-N 0 0 220.247 2.166 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NCc1ccco1 ZINC000054824443 181058218 /nfs/dbraw/zinc/05/82/18/181058218.db2.gz CMYDMUKMHDRKHA-CMPLNLGQSA-N 0 0 204.273 2.452 10 30 BEEERN N#C[C@@H]1CCCN1C(=O)Cc1ccc(Cl)cc1 ZINC000057537397 181058685 /nfs/dbraw/zinc/05/86/85/181058685.db2.gz RJNXYZBGXMCAPS-LBPRGKRZSA-N 0 0 248.713 2.397 10 30 BEEERN N#C[C@@H]1CNc2c1cccc2Br ZINC000071486983 181060866 /nfs/dbraw/zinc/06/08/66/181060866.db2.gz HZGBWJRYAJTJTM-ZCFIWIBFSA-N 0 0 223.073 2.482 10 30 BEEERN N#C[C@H](C(=O)[C@H]1CCOC1)c1ccccc1F ZINC000049671725 181062401 /nfs/dbraw/zinc/06/24/01/181062401.db2.gz NZCZIOCNHPJGKT-ONGXEEELSA-N 0 0 233.242 2.038 10 30 BEEERN N#C[C@H](C=O)c1cccc(Br)c1 ZINC000037354662 181062505 /nfs/dbraw/zinc/06/25/05/181062505.db2.gz RNTQEVRODMFMOP-MRVPVSSYSA-N 0 0 224.057 2.255 10 30 BEEERN N#C[C@]1(Nc2ccccc2)CCN(C2CC2)C1 ZINC000061990863 181071604 /nfs/dbraw/zinc/07/16/04/181071604.db2.gz AJKMHIGUCMMPJZ-CQSZACIVSA-N 0 0 227.311 2.229 10 30 BEEERN N#Cc1c(C(F)(F)F)nc2sccn12 ZINC000095929649 181072927 /nfs/dbraw/zinc/07/29/27/181072927.db2.gz HLPZSXIHAGDYOL-UHFFFAOYSA-N 0 0 217.175 2.286 10 30 BEEERN N#Cc1c(Cl)cccc1-n1cccn1 ZINC000052909003 181073771 /nfs/dbraw/zinc/07/37/71/181073771.db2.gz FQBMEHYWFPCSKA-UHFFFAOYSA-N 0 0 203.632 2.397 10 30 BEEERN N#C[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000011894233 181067895 /nfs/dbraw/zinc/06/78/95/181067895.db2.gz QSHUZOVAEGYTMC-MRVPVSSYSA-N 0 0 220.659 2.216 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1ccccc1 ZINC000054822944 181068899 /nfs/dbraw/zinc/06/88/99/181068899.db2.gz PXMWIHRTUGGXMC-OLZOCXBDSA-N 0 0 200.285 2.468 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NCc1ccncc1 ZINC000054824565 181069293 /nfs/dbraw/zinc/06/92/93/181069293.db2.gz UBUNBPFPYPZZPQ-CHWSQXEVSA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1cccc(O)c1 ZINC000061891480 181069858 /nfs/dbraw/zinc/06/98/58/181069858.db2.gz PKEXJUSDNYQTCR-DGCLKSJQSA-N 0 0 216.284 2.174 10 30 BEEERN N#C[C@H]1CCC[C@H]1N[C@H](CO)c1ccccc1 ZINC000063002154 181070008 /nfs/dbraw/zinc/07/00/08/181070008.db2.gz IPTYXMLZACANIQ-MGPQQGTHSA-N 0 0 230.311 2.002 10 30 BEEERN N#Cc1cc(-c2ccccc2CO)ccc1O ZINC000065341331 181081417 /nfs/dbraw/zinc/08/14/17/181081417.db2.gz BFTDHOQCYGQKNP-UHFFFAOYSA-N 0 0 225.247 2.423 10 30 BEEERN N#Cc1c(F)cccc1NCc1csnn1 ZINC000036902238 181075935 /nfs/dbraw/zinc/07/59/35/181075935.db2.gz LIVZMLJQBPLNAG-UHFFFAOYSA-N 0 0 234.259 2.161 10 30 BEEERN N#Cc1c(F)cccc1NCc1cncnc1 ZINC000054767280 181076031 /nfs/dbraw/zinc/07/60/31/181076031.db2.gz BDHIGOBIONJPOY-UHFFFAOYSA-N 0 0 228.230 2.099 10 30 BEEERN N#Cc1c(F)cccc1NCCCc1cc[nH]n1 ZINC000302790403 181076455 /nfs/dbraw/zinc/07/64/55/181076455.db2.gz YCPOQJTYCMUFQO-UHFFFAOYSA-N 0 0 244.273 2.465 10 30 BEEERN N#Cc1c[nH]c(-c2nc(-c3ccccc3)c[nH]2)n1 ZINC000026977267 181079327 /nfs/dbraw/zinc/07/93/27/181079327.db2.gz FXWGSHUOBJORNK-UHFFFAOYSA-N 0 0 235.250 2.338 10 30 BEEERN CC[C@H](C)c1noc(CSCC#N)n1 ZINC000230995760 363333502 /nfs/dbraw/zinc/33/35/02/363333502.db2.gz NSDZSWAXERDOJV-ZETCQYMHSA-N 0 0 211.290 2.340 10 30 BEEERN N#Cc1cc(F)ccc1NC[C@@H]1CCC[C@@H]1O ZINC000089167107 181088681 /nfs/dbraw/zinc/08/86/81/181088681.db2.gz VNHGXXAEWGAHMG-ZANVPECISA-N 0 0 234.274 2.270 10 30 BEEERN N#Cc1cc(F)ccc1NC[C@@H]1[C@H]2COC[C@H]21 ZINC000376183622 181088182 /nfs/dbraw/zinc/08/81/82/181088182.db2.gz ASIMRROEGQLCFO-CNDDSTCGSA-N 0 0 232.258 2.002 10 30 BEEERN N#Cc1cc2cc(-c3cccnc3)ccc2[nH]c1=O ZINC000026178316 181093967 /nfs/dbraw/zinc/09/39/67/181093967.db2.gz KBNOVYUXASSDDE-UHFFFAOYSA-N 0 0 247.257 2.462 10 30 BEEERN N#Cc1ccc(-c2cncc(C=O)c2)cc1 ZINC000091365878 181095707 /nfs/dbraw/zinc/09/57/07/181095707.db2.gz QYHAIROWTHDPEY-UHFFFAOYSA-N 0 0 208.220 2.433 10 30 BEEERN N#Cc1ccc(-c2ccc(N)nc2)s1 ZINC000052886393 181095172 /nfs/dbraw/zinc/09/51/72/181095172.db2.gz JHHZQPDLOQKXKU-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N#Cc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3)cc1 ZINC000016946305 181095275 /nfs/dbraw/zinc/09/52/75/181095275.db2.gz WSTKXOBIOIHHBR-UHFFFAOYSA-N 0 0 248.241 2.360 10 30 BEEERN N#Cc1ccc(-c2ccccc2CO)cc1O ZINC000065341332 181095876 /nfs/dbraw/zinc/09/58/76/181095876.db2.gz ZXNNPXXXIPCASV-UHFFFAOYSA-N 0 0 225.247 2.423 10 30 BEEERN N#Cc1ccc(-c2ccc(C=O)cn2)cc1 ZINC000034415464 181095530 /nfs/dbraw/zinc/09/55/30/181095530.db2.gz XUBUOQQRPNAWKW-UHFFFAOYSA-N 0 0 208.220 2.433 10 30 BEEERN N#Cc1cc(N)ccc1Oc1ccccn1 ZINC000042410856 181088951 /nfs/dbraw/zinc/08/89/51/181088951.db2.gz DHXLKICWTPIYPB-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1cc(N)ccc1Oc1ccccc1CO ZINC000104339229 181088973 /nfs/dbraw/zinc/08/89/73/181088973.db2.gz WOIGCFPGHPDTIJ-UHFFFAOYSA-N 0 0 240.262 2.425 10 30 BEEERN N#Cc1cc(N)ccc1NCC1CCC1 ZINC000041020761 181089395 /nfs/dbraw/zinc/08/93/95/181089395.db2.gz TVGQTSGFLHLEHF-UHFFFAOYSA-N 0 0 201.273 2.352 10 30 BEEERN N#Cc1cc(N)ccc1NC(=O)c1cccs1 ZINC000036737835 181089528 /nfs/dbraw/zinc/08/95/28/181089528.db2.gz UPKCGIVPJNNUNF-UHFFFAOYSA-N 0 0 243.291 2.454 10 30 BEEERN N#Cc1cc(N)cnc1Oc1ccccc1F ZINC000037759254 181090022 /nfs/dbraw/zinc/09/00/22/181090022.db2.gz ZSNBYTURPUIDKU-UHFFFAOYSA-N 0 0 229.214 2.467 10 30 BEEERN N#Cc1cc(N[C@H]2CCCC[C@@H]2O)ccc1F ZINC000051636419 181091306 /nfs/dbraw/zinc/09/13/06/181091306.db2.gz UJZHKJHEYJMRLU-STQMWFEESA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1cc(O)cc(-c2cccc(CO)c2)c1 ZINC000065341336 181091584 /nfs/dbraw/zinc/09/15/84/181091584.db2.gz SIRGUGPYYCWZRP-UHFFFAOYSA-N 0 0 225.247 2.423 10 30 BEEERN N#Cc1cc(O)cc(-c2ccc(CO)cc2)c1 ZINC000065341339 181091883 /nfs/dbraw/zinc/09/18/83/181091883.db2.gz XKMSIKKHWABSSD-UHFFFAOYSA-N 0 0 225.247 2.423 10 30 BEEERN N#Cc1cc(Oc2ccc(CO)cc2)ccn1 ZINC000061815442 181092336 /nfs/dbraw/zinc/09/23/36/181092336.db2.gz OHZPCEJIMJSTLH-UHFFFAOYSA-N 0 0 226.235 2.238 10 30 BEEERN N#Cc1cc2c(nc1-n1ccnc1)CCCC2 ZINC000043410261 181092682 /nfs/dbraw/zinc/09/26/82/181092682.db2.gz AFCQTOPDJSIIFD-UHFFFAOYSA-N 0 0 224.267 2.018 10 30 BEEERN N#Cc1ccc(C(=O)Nc2ccccc2F)cn1 ZINC000114996946 181101538 /nfs/dbraw/zinc/10/15/38/181101538.db2.gz RYNKWHYCCLGLGP-UHFFFAOYSA-N 0 0 241.225 2.345 10 30 BEEERN N#Cc1ccc(C[C@H]2COCC[C@@H]2S)cc1 ZINC000095078957 181110958 /nfs/dbraw/zinc/11/09/58/181110958.db2.gz NLJZLAJWCNBYTB-STQMWFEESA-N 0 0 233.336 2.436 10 30 BEEERN N#Cc1ccc(Cl)cc1N[C@@H]1C[C@H]1CO ZINC000308910312 181111613 /nfs/dbraw/zinc/11/16/13/181111613.db2.gz UZEBDLAYLQZXAN-WCBMZHEXSA-N 0 0 222.675 2.004 10 30 BEEERN N#Cc1ccc(N2CCC[C@H]2CCCO)cc1 ZINC000052761457 181115489 /nfs/dbraw/zinc/11/54/89/181115489.db2.gz DVBOUTZKFPLLQL-ZDUSSCGKSA-N 0 0 230.311 2.300 10 30 BEEERN N#Cc1ccc(NC2(CO)CCCC2)cc1 ZINC000053071028 181119127 /nfs/dbraw/zinc/11/91/27/181119127.db2.gz HDNLLBWFTXNPBK-UHFFFAOYSA-N 0 0 216.284 2.275 10 30 BEEERN N#Cc1ccc2c(c1)CN[C@@H](C(F)(F)F)C2 ZINC000013686976 181132382 /nfs/dbraw/zinc/13/23/82/181132382.db2.gz FQMARIFLTAAEKA-SNVBAGLBSA-N 0 0 226.201 2.135 10 30 BEEERN N#Cc1ccccc1N[C@@H]1CCCC[C@@H]1O ZINC000037691215 181149098 /nfs/dbraw/zinc/14/90/98/181149098.db2.gz SUKZTPCPZXDASQ-OLZOCXBDSA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1cccnc1NC1(CO)CCCCC1 ZINC000053096666 181152355 /nfs/dbraw/zinc/15/23/55/181152355.db2.gz CGARKTJCRLRWPD-UHFFFAOYSA-N 0 0 231.299 2.060 10 30 BEEERN N#Cc1cccnc1OCCCc1ccncc1 ZINC000034958542 181154261 /nfs/dbraw/zinc/15/42/61/181154261.db2.gz OKBZBZLYDDSXEJ-UHFFFAOYSA-N 0 0 239.278 2.360 10 30 BEEERN N#Cc1ccnc(N(CC(F)(F)F)C2CC2)c1 ZINC000042780580 181155815 /nfs/dbraw/zinc/15/58/15/181155815.db2.gz XNOBWBPKVWNHIT-UHFFFAOYSA-N 0 0 241.216 2.484 10 30 BEEERN COCCCCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000234630591 363426322 /nfs/dbraw/zinc/42/63/22/363426322.db2.gz BVALMMDHOOAJGA-NEPJUHHUSA-N 0 0 210.321 2.085 10 30 BEEERN C#Cc1cc(Br)c2c(c1)OCCO2 ZINC000130598063 363432864 /nfs/dbraw/zinc/43/28/64/363432864.db2.gz NNLOOUMZLMALIL-UHFFFAOYSA-N 0 0 239.068 2.202 10 30 BEEERN N#Cc1ccnc(OCc2ccco2)c1 ZINC000019428363 181158420 /nfs/dbraw/zinc/15/84/20/181158420.db2.gz KAYIAIPPWIQJRY-UHFFFAOYSA-N 0 0 200.197 2.125 10 30 BEEERN N#Cc1cnn(C2CC2)c1C(F)(F)F ZINC000075893082 181164539 /nfs/dbraw/zinc/16/45/39/181164539.db2.gz KYEFSLMFABWISK-UHFFFAOYSA-N 0 0 201.151 2.108 10 30 BEEERN N#Cc1nc2c(o1)NC[C@@H](c1ccccc1)C2 ZINC000071791206 181169257 /nfs/dbraw/zinc/16/92/57/181169257.db2.gz AHJDSTJXUBESNO-JTQLQIEISA-N 0 0 225.251 2.298 10 30 BEEERN CC1=CCCN(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000335215325 355053185 /nfs/dbraw/zinc/05/31/85/355053185.db2.gz OFOHFIAGNMNTHX-NWDGAFQWSA-N 0 0 233.315 2.040 10 30 BEEERN N#Cc1nc(Br)ccc1OC1CC1 ZINC000088190134 181167609 /nfs/dbraw/zinc/16/76/09/181167609.db2.gz WCFSEXRXYBFZCS-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1sc2nc3c(cc2c1N)SCC3 ZINC000083251416 181178337 /nfs/dbraw/zinc/17/83/37/181178337.db2.gz XWLSWEIOJZSPEQ-UHFFFAOYSA-N 0 0 233.321 2.398 10 30 BEEERN N/C(CCSc1nc2ccccc2o1)=N\O ZINC000019847915 181182628 /nfs/dbraw/zinc/18/26/28/181182628.db2.gz OZNLWLMQYAJNCQ-UHFFFAOYSA-N 0 0 237.284 2.056 10 30 BEEERN N/C(CCSCc1ccccc1)=N\O ZINC000019847731 181183058 /nfs/dbraw/zinc/18/30/58/181183058.db2.gz BUOVIFPGBGMBSL-UHFFFAOYSA-N 0 0 210.302 2.056 10 30 BEEERN CC1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CCC1 ZINC000233054652 355353037 /nfs/dbraw/zinc/35/30/37/355353037.db2.gz XGJLHOIYMVHXMY-UHFFFAOYSA-N 0 0 246.270 2.464 10 30 BEEERN CSCCC(=O)c1cccc(C#N)c1 ZINC000308448845 355608779 /nfs/dbraw/zinc/60/87/79/355608779.db2.gz BHNQJUOOYAXSFP-UHFFFAOYSA-N 0 0 205.282 2.494 10 30 BEEERN Cc1cc(SC2=CC(=O)CC2)n(C)n1 ZINC000160277939 355807330 /nfs/dbraw/zinc/80/73/30/355807330.db2.gz DJRPUYVYHFTNMZ-UHFFFAOYSA-N 0 0 208.286 2.067 10 30 BEEERN O=CCOc1cccc(C(F)(F)F)c1 ZINC000034428032 355836675 /nfs/dbraw/zinc/83/66/75/355836675.db2.gz QDDJKBCSNFFTQO-UHFFFAOYSA-N 0 0 204.147 2.283 10 30 BEEERN Cc1nsc(SC2=CC(=O)CC2)n1 ZINC000160284313 355845235 /nfs/dbraw/zinc/84/52/35/355845235.db2.gz VQIAVLLLSMWNIX-UHFFFAOYSA-N 0 0 212.299 2.185 10 30 BEEERN C=CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109079955 355850423 /nfs/dbraw/zinc/85/04/23/355850423.db2.gz FJLHBDWTHWUIBK-VHSXEESVSA-N 0 0 237.249 2.371 10 30 BEEERN C#C[C@@H](Cc1ccc(Cl)c(Cl)c1)NN ZINC000168542657 356109309 /nfs/dbraw/zinc/10/93/09/356109309.db2.gz JSSXXWSNLHYWQG-QMMMGPOBSA-N 0 0 229.110 2.001 10 30 BEEERN C[C@@H]1CCN(C(C)(C)C#N)CC1(F)F ZINC000336104130 134083999 /nfs/dbraw/zinc/08/39/99/134083999.db2.gz ODHNNBFQWYQCBZ-MRVPVSSYSA-N 0 0 202.248 2.266 10 30 BEEERN C[C@H]1CCN(C(C)(C)C#N)CC1(F)F ZINC000336104148 134084166 /nfs/dbraw/zinc/08/41/66/134084166.db2.gz ODHNNBFQWYQCBZ-QMMMGPOBSA-N 0 0 202.248 2.266 10 30 BEEERN CC[C@H]1CCN1CC(=O)Nc1cc(C)no1 ZINC000330269053 356195739 /nfs/dbraw/zinc/19/57/39/356195739.db2.gz JAZABQLITDPYOO-VIFPVBQESA-N 0 0 223.276 2.055 10 30 BEEERN Cc1ccnc(CC#N)c1OC(F)(F)F ZINC000238468207 363488659 /nfs/dbraw/zinc/48/86/59/363488659.db2.gz AQAUVCWVGJJGIU-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN N#Cc1cc2c(F)cc(F)cc2[nH]c1=O ZINC000675067662 538495241 /nfs/dbraw/zinc/49/52/41/538495241.db2.gz LHAOFDUHDVVHHP-UHFFFAOYSA-N 0 0 206.151 2.090 10 30 BEEERN CCCCCC[C@@]1(C)O[C@H]1C(=O)OC ZINC000084324244 538531196 /nfs/dbraw/zinc/53/11/96/538531196.db2.gz ANRPIHXMTGIZNX-GXSJLCMTSA-N 0 0 200.278 2.287 10 30 BEEERN COC(=O)[C@H]1OC12CCC(C(F)(F)F)CC2 ZINC000084324100 538531202 /nfs/dbraw/zinc/53/12/02/538531202.db2.gz CCVGJKRBJPRGQN-KDIYEYIXSA-N 0 0 238.205 2.050 10 30 BEEERN C=C1Cn2c(nc3ccccc3c2=O)S1 ZINC000034474700 356702480 /nfs/dbraw/zinc/70/24/80/356702480.db2.gz YANUYFKSLQRSGJ-UHFFFAOYSA-N 0 0 216.265 2.016 10 30 BEEERN CCCC[C@]1(CC)O[C@@]1(C)C(=O)OC ZINC000085658140 538546348 /nfs/dbraw/zinc/54/63/48/538546348.db2.gz WJSQEBBVJMXUFW-QWRGUYRKSA-N 0 0 200.278 2.287 10 30 BEEERN CC[C@@]1(C(C)C)O[C@]1(C(=O)OC)C(C)C ZINC000086182497 538550759 /nfs/dbraw/zinc/55/07/59/538550759.db2.gz ATEYVCSQGYCGIW-RYUDHWBXSA-N 0 0 214.305 2.389 10 30 BEEERN COC(=O)[C@@H]1O[C@@]12CCCC21CCCCC1 ZINC000312996153 538571315 /nfs/dbraw/zinc/57/13/15/538571315.db2.gz RSLJORHLYKLZMC-GWCFXTLKSA-N 0 0 224.300 2.431 10 30 BEEERN C=C(Br)CN1CCO[C@H]2CCC[C@@H]21 ZINC000054342117 363567460 /nfs/dbraw/zinc/56/74/60/363567460.db2.gz QZTPMUUCHCSBEE-UWVGGRQHSA-N 0 0 246.148 2.148 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(CC#N)cc2)O1 ZINC000124033217 358512299 /nfs/dbraw/zinc/51/22/99/358512299.db2.gz OYIRAZJZLCHPHP-GWCFXTLKSA-N 0 0 244.294 2.259 10 30 BEEERN N#CCc1cc(Br)cc2c1OCC2 ZINC000160451384 356981712 /nfs/dbraw/zinc/98/17/12/356981712.db2.gz RGYDZZFDBXBAHN-UHFFFAOYSA-N 0 0 238.084 2.450 10 30 BEEERN C#C[C@H](NC)c1sccc1Br ZINC000130044231 357162021 /nfs/dbraw/zinc/16/20/21/357162021.db2.gz ZUAPXUXSZGEJCI-ZETCQYMHSA-N 0 0 230.130 2.404 10 30 BEEERN C#CCC[C@@H](O)c1ccc(Br)cn1 ZINC000129991285 357122013 /nfs/dbraw/zinc/12/20/13/357122013.db2.gz BDJCIGZBDKDZJQ-SNVBAGLBSA-N 0 0 240.100 2.291 10 30 BEEERN C#CC(=O)c1ccc(Br)cc1OC ZINC000168769083 357226300 /nfs/dbraw/zinc/22/63/00/357226300.db2.gz JAZGEGZRYAGZPR-UHFFFAOYSA-N 0 0 239.068 2.274 10 30 BEEERN O=C(NCC#Cc1cccs1)c1ccco1 ZINC000169484679 357266257 /nfs/dbraw/zinc/26/62/57/357266257.db2.gz CEFLWBGOUDEBPD-UHFFFAOYSA-N 0 0 231.276 2.123 10 30 BEEERN C=CCC1(C(=O)N[C@@H](C)[C@H]2CCCO2)CCC1 ZINC000188597300 357542247 /nfs/dbraw/zinc/54/22/47/357542247.db2.gz ZVLKRLLFYJDJKG-NWDGAFQWSA-N 0 0 237.343 2.417 10 30 BEEERN Cc1cnc([C@@H](C)Nc2cc(C#N)ccn2)o1 ZINC000231745013 357624255 /nfs/dbraw/zinc/62/42/55/357624255.db2.gz GWBBXMVQJOTFLR-SECBINFHSA-N 0 0 228.255 2.423 10 30 BEEERN C[C@H](C#N)N1CCC[C@@H]1c1nccs1 ZINC000371694824 134229240 /nfs/dbraw/zinc/22/92/40/134229240.db2.gz UYUKPKBDLUSTIF-RKDXNWHRSA-N 0 0 207.302 2.192 10 30 BEEERN Cc1cc(N[C@H]2CCC[C@@H]2C#N)nc(C)n1 ZINC000393762793 259473785 /nfs/dbraw/zinc/47/37/85/259473785.db2.gz NGUJZEYZGSBGED-MNOVXSKESA-N 0 0 216.288 2.198 10 30 BEEERN CC#CCNC(=O)c1cc(CC)c(CC)o1 ZINC000121281622 134232564 /nfs/dbraw/zinc/23/25/64/134232564.db2.gz MADLPXSMSQAZPW-UHFFFAOYSA-N 0 0 219.284 2.158 10 30 BEEERN CC#CCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000120906858 134230588 /nfs/dbraw/zinc/23/05/88/134230588.db2.gz DGLULUAWTLDKTF-OLZOCXBDSA-N 0 0 219.328 2.342 10 30 BEEERN CCc1cc(NC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000102784683 357920172 /nfs/dbraw/zinc/92/01/72/357920172.db2.gz SQRXANLSYCYFEB-UHFFFAOYSA-N 0 0 246.314 2.385 10 30 BEEERN C=CCCn1c(=S)[nH]c2cccnc21 ZINC000168891045 357990535 /nfs/dbraw/zinc/99/05/35/357990535.db2.gz FXRDMERANCGOEQ-UHFFFAOYSA-N 0 0 205.286 2.296 10 30 BEEERN N#Cc1cc(F)c(NCC2CC(O)C2)c(F)c1 ZINC000133639935 325306082 /nfs/dbraw/zinc/30/60/82/325306082.db2.gz DWPKNYKWURGJQO-UHFFFAOYSA-N 0 0 238.237 2.019 10 30 BEEERN Cn1cc(/C=C\C(=O)c2ccccc2)cn1 ZINC000035678606 358099154 /nfs/dbraw/zinc/09/91/54/358099154.db2.gz GUKZBVAEKWXIMB-FPLPWBNLSA-N 0 0 212.252 2.316 10 30 BEEERN CC(C)CCC[C@@H](C)OS(C)(=O)=O ZINC000584607525 358105590 /nfs/dbraw/zinc/10/55/90/358105590.db2.gz NJUASVPCJFJZRZ-SECBINFHSA-N 0 0 208.323 2.177 10 30 BEEERN CC[C@H](C#N)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000051987827 358114146 /nfs/dbraw/zinc/11/41/46/358114146.db2.gz JBGNCNSYQRYNQI-ZYHUDNBSSA-N 0 0 244.294 2.176 10 30 BEEERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OS(C)(=O)=O ZINC000038294033 358145038 /nfs/dbraw/zinc/14/50/38/358145038.db2.gz JHBDQWDYNMJVIB-OUAUKWLOSA-N 0 0 234.361 2.423 10 30 BEEERN CCCCC/C(C)=N/N=C1NC(=O)CS1 ZINC000584613802 358278382 /nfs/dbraw/zinc/27/83/82/358278382.db2.gz JKQQGBODRXPWLN-XYOKQWHBSA-N 0 0 227.333 2.162 10 30 BEEERN N#CCOc1cnc2c(Cl)nccc2c1 ZINC000584591560 358249812 /nfs/dbraw/zinc/24/98/12/358249812.db2.gz ZYCWSAGRAXQTCU-UHFFFAOYSA-N 0 0 219.631 2.186 10 30 BEEERN Cc1ccc([C@H](O)C/N=C/c2ccc[nH]2)cc1 ZINC000584596149 358254086 /nfs/dbraw/zinc/25/40/86/358254086.db2.gz SQBOZJLGJUZFFM-UWZYDCLUSA-N 0 0 228.295 2.476 10 30 BEEERN C#C[C@@](CCC)(OC(C)=O)C1(C#N)CC1 ZINC000584603163 358261420 /nfs/dbraw/zinc/26/14/20/358261420.db2.gz LJBADKQRDBMVAZ-LBPRGKRZSA-N 0 0 205.257 2.025 10 30 BEEERN CC(=O)N(O)c1ccccc1Br ZINC000584607979 358268330 /nfs/dbraw/zinc/26/83/30/358268330.db2.gz ZSDUAPMFTPUFEL-UHFFFAOYSA-N 0 0 230.061 2.191 10 30 BEEERN CC[C@H](C=O)[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000584608699 358269051 /nfs/dbraw/zinc/26/90/51/358269051.db2.gz CCFVCFMJEXWMIH-BXKDBHETSA-N 0 0 239.246 2.411 10 30 BEEERN CC(C)(C)[S@@](=O)/N=C/c1ccc(C=O)cc1 ZINC000584610443 358273034 /nfs/dbraw/zinc/27/30/34/358273034.db2.gz MCFVNCLYWMTTQO-WDBUWWRISA-N 0 0 237.324 2.380 10 30 BEEERN C=C(Br)[C@H]1CC(C)(C)C(=O)O1 ZINC000584610611 358273848 /nfs/dbraw/zinc/27/38/48/358273848.db2.gz RVJFPVUYLMLUJS-ZCFIWIBFSA-N 0 0 219.078 2.237 10 30 BEEERN C=C(Br)[C@@H]1CC(C)(C)C(=O)O1 ZINC000584610761 358274617 /nfs/dbraw/zinc/27/46/17/358274617.db2.gz RVJFPVUYLMLUJS-LURJTMIESA-N 0 0 219.078 2.237 10 30 BEEERN Cc1cc2c(cc(CC=O)n2C)c(Cl)n1 ZINC000584619958 358287073 /nfs/dbraw/zinc/28/70/73/358287073.db2.gz IWJGSWOGCHBCOS-UHFFFAOYSA-N 0 0 222.675 2.277 10 30 BEEERN C=CC[C@H](C)[C@H](CCCC)S(N)(=O)=O ZINC000584620314 358287699 /nfs/dbraw/zinc/28/76/99/358287699.db2.gz GIBPHHIZTXNONB-UWVGGRQHSA-N 0 0 219.350 2.046 10 30 BEEERN Cc1noc(/N=C/c2cc(O)ccc2O)c1C ZINC000584621911 358290196 /nfs/dbraw/zinc/29/01/96/358290196.db2.gz VPLICHKTPVKHGU-AWNIVKPZSA-N 0 0 232.239 2.453 10 30 BEEERN C=CCOc1cc(OC)ccc1OC[C@@H]1CO1 ZINC000584651054 358305861 /nfs/dbraw/zinc/30/58/61/358305861.db2.gz VAGVGDQETIRIAR-NSHDSACASA-N 0 0 236.267 2.038 10 30 BEEERN C#CC[N@@H+]1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000584651836 358307135 /nfs/dbraw/zinc/30/71/35/358307135.db2.gz YJZFLGJYWKBUNG-CQSZACIVSA-N 0 0 228.339 2.139 10 30 BEEERN C=C[C@H]1CO[C@]2(C)Oc3cc(C)oc(=O)c3C[C@H]12 ZINC000584653307 358307567 /nfs/dbraw/zinc/30/75/67/358307567.db2.gz YOICESQUEMQESS-DRCTWCGVSA-N 0 0 248.278 2.048 10 30 BEEERN CC(C)(C)OC(=O)N1C(C)(C)OC[C@]1(C)C#N ZINC000584652887 358307621 /nfs/dbraw/zinc/30/76/21/358307621.db2.gz MNUFSCBXGSROKQ-LBPRGKRZSA-N 0 0 240.303 2.272 10 30 BEEERN N#Cc1nccc2ncn(-c3ccccc3)c21 ZINC000584631659 358314153 /nfs/dbraw/zinc/31/41/53/358314153.db2.gz IHMZPVLJGFCFCE-UHFFFAOYSA-N 0 0 220.235 2.292 10 30 BEEERN C=CCc1ccccc1N(C#N)C(C)=O ZINC000584646925 358331626 /nfs/dbraw/zinc/33/16/26/358331626.db2.gz ZXVQEYTZWCZDEM-UHFFFAOYSA-N 0 0 200.241 2.249 10 30 BEEERN CC(C)(C#N)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000584632403 358314809 /nfs/dbraw/zinc/31/48/09/358314809.db2.gz DHDJXUXXUQLESL-JTQLQIEISA-N 0 0 220.228 2.178 10 30 BEEERN COc1ccn(C(C2CC2)C2CC2)c(=O)c1C#N ZINC000584633302 358317130 /nfs/dbraw/zinc/31/71/30/358317130.db2.gz ADXZALIPMSRQMY-UHFFFAOYSA-N 0 0 244.294 2.090 10 30 BEEERN C=C[C@@]1(Cc2ccccc2)COC(=O)O1 ZINC000584635478 358319210 /nfs/dbraw/zinc/31/92/10/358319210.db2.gz GYLBYDUGIXXCLV-GFCCVEGCSA-N 0 0 204.225 2.321 10 30 BEEERN CC(C)(O)CCC#CC#C[Si](C)(C)C ZINC000584637576 358322713 /nfs/dbraw/zinc/32/27/13/358322713.db2.gz HQGXKSRBGKKTAG-UHFFFAOYSA-N 0 0 208.377 2.422 10 30 BEEERN CCCCC[C@@H](O)C#CCCCC(=O)OC ZINC000584638392 358324102 /nfs/dbraw/zinc/32/41/02/358324102.db2.gz WXSVZFZXLZEJHT-GFCCVEGCSA-N 0 0 226.316 2.274 10 30 BEEERN COC(=O)c1sncc1C#C[Si](C)(C)C ZINC000584638901 358324548 /nfs/dbraw/zinc/32/45/48/358324548.db2.gz SYPZVLVDDRFTCP-UHFFFAOYSA-N 0 0 239.372 2.159 10 30 BEEERN C=C(CCC(=O)OC)C(=O)OCc1ccccc1 ZINC000584642674 358327659 /nfs/dbraw/zinc/32/76/59/358327659.db2.gz HRTBREBAPPETLR-UHFFFAOYSA-N 0 0 248.278 2.239 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)C1(C#N)CC(C)C1 ZINC000229623530 358405437 /nfs/dbraw/zinc/40/54/37/358405437.db2.gz CZYUTIJDCDYUFG-ZUXSNHBTSA-N 0 0 220.316 2.231 10 30 BEEERN C[C@H](C#N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000044824271 358555940 /nfs/dbraw/zinc/55/59/40/358555940.db2.gz HTBLAWYKWWLUQE-SECBINFHSA-N 0 0 236.702 2.458 10 30 BEEERN N#Cc1cccc(C#N)c1OC(F)(F)F ZINC000224134988 358563143 /nfs/dbraw/zinc/56/31/43/358563143.db2.gz HDHWMRCYPOQWPG-UHFFFAOYSA-N 0 0 212.130 2.329 10 30 BEEERN C=C(C)CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127493073 358563369 /nfs/dbraw/zinc/56/33/69/358563369.db2.gz DUNKOKSCWCCYLI-CQSZACIVSA-N 0 0 233.311 2.342 10 30 BEEERN CC[C@@H]1CCC[C@@H](NC(=O)[C@H](C)S)C1 ZINC000300226018 358569587 /nfs/dbraw/zinc/56/95/87/358569587.db2.gz PCGHFXOXTHLZNE-IVZWLZJFSA-N 0 0 215.362 2.390 10 30 BEEERN C[C@H]1C[C@H](NC(=O)CCS)C[C@@H](C)C1 ZINC000300225190 358569681 /nfs/dbraw/zinc/56/96/81/358569681.db2.gz HFWRTIPBQZZNPH-MYJAWHEDSA-N 0 0 215.362 2.247 10 30 BEEERN CC(C)[C@@H](S)C(=O)N1C[C@H](C)C[C@H]1C ZINC000300226619 358570221 /nfs/dbraw/zinc/57/02/21/358570221.db2.gz YMLLBUDGGAJMIN-OPRDCNLKSA-N 0 0 215.362 2.198 10 30 BEEERN C=C[C@@H](C)NC(=O)NCCCCSC ZINC000128317079 358573653 /nfs/dbraw/zinc/57/36/53/358573653.db2.gz JIGGCDRUZHTGFY-SECBINFHSA-N 0 0 216.350 2.003 10 30 BEEERN C=CCCCN(C)C(=O)NC[C@@H]1CCCS1 ZINC000125330669 358537016 /nfs/dbraw/zinc/53/70/16/358537016.db2.gz DDTSUSUJKKMEQQ-NSHDSACASA-N 0 0 242.388 2.490 10 30 BEEERN C=C[C@H](C)NC(=O)Cc1cnc2ccccc2c1 ZINC000131752681 358691992 /nfs/dbraw/zinc/69/19/92/358691992.db2.gz PCPFBKUWNJWYSK-NSHDSACASA-N 0 0 240.306 2.468 10 30 BEEERN C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCCO1 ZINC000135009078 358815933 /nfs/dbraw/zinc/81/59/33/358815933.db2.gz RHSYOSOUCANDSW-YPMHNXCESA-N 0 0 225.332 2.226 10 30 BEEERN N#Cc1ccc(CNCc2ccccn2)s1 ZINC000135494381 358840833 /nfs/dbraw/zinc/84/08/33/358840833.db2.gz YRKZXOLENMTBCY-UHFFFAOYSA-N 0 0 229.308 2.305 10 30 BEEERN COc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1 ZINC000054823503 358876350 /nfs/dbraw/zinc/87/63/50/358876350.db2.gz NHSICOLCZGCFLE-GXTWGEPZSA-N 0 0 230.311 2.477 10 30 BEEERN CC[C@@H](OC)c1ncc(C#N)c(Cl)n1 ZINC000306184078 359002853 /nfs/dbraw/zinc/00/28/53/359002853.db2.gz AWMBLHNMRVBREE-SSDOTTSWSA-N 0 0 211.652 2.099 10 30 BEEERN COC(=O)[C@@H](C)c1ccc(C)c(C#N)c1 ZINC000306192240 359016159 /nfs/dbraw/zinc/01/61/59/359016159.db2.gz JCAUBRWAOKLJDG-VIFPVBQESA-N 0 0 203.241 2.143 10 30 BEEERN C#C[C@H](NC)c1ccc(F)cc1Br ZINC000130309380 359339862 /nfs/dbraw/zinc/33/98/62/359339862.db2.gz CNEONIQUMUZIBJ-JTQLQIEISA-N 0 0 242.091 2.482 10 30 BEEERN COC1([C@H]2CC[C@@H](C=O)O2)CCCCC1 ZINC000306241762 359424034 /nfs/dbraw/zinc/42/40/34/359424034.db2.gz MTIRVYDKPUJQKY-WDEREUQCSA-N 0 0 212.289 2.082 10 30 BEEERN CC[C@@H](C#N)n1ccc(Br)n1 ZINC000306282372 359513402 /nfs/dbraw/zinc/51/34/02/359513402.db2.gz AGPOHWZJISMDTN-LURJTMIESA-N 0 0 214.066 2.120 10 30 BEEERN COC(=O)c1cccc2[nH]cc(CC#N)c21 ZINC000026894224 359583699 /nfs/dbraw/zinc/58/36/99/359583699.db2.gz GGPQYXDLCHBRIS-UHFFFAOYSA-N 0 0 214.224 2.021 10 30 BEEERN N#CCNc1ccc(C#N)c(Br)c1 ZINC000306330565 359611283 /nfs/dbraw/zinc/61/12/83/359611283.db2.gz QABHXXMJOCUVDA-UHFFFAOYSA-N 0 0 236.072 2.256 10 30 BEEERN Cc1c(Br)cc(F)c(N)c1C#N ZINC000306333796 359632788 /nfs/dbraw/zinc/63/27/88/359632788.db2.gz IKEGGMFKHJRLOR-UHFFFAOYSA-N 0 0 229.052 2.351 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403321251 359716973 /nfs/dbraw/zinc/71/69/73/359716973.db2.gz AEUSARFANAOMKU-LBELIVKGSA-N 0 0 232.327 2.231 10 30 BEEERN C[C@@H]1CCCC[C@@H]1NC(=O)C#CBr ZINC000306414300 359816255 /nfs/dbraw/zinc/81/62/55/359816255.db2.gz VXWCQEWAWAGLBC-BDAKNGLRSA-N 0 0 244.132 2.037 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1n[nH]c2ccccc12 ZINC000612586174 359899390 /nfs/dbraw/zinc/89/93/90/359899390.db2.gz OZZSOCCHSMBACU-JQWIXIFHSA-N 0 0 240.310 2.345 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccncc1Cl ZINC000091449844 360116062 /nfs/dbraw/zinc/11/60/62/360116062.db2.gz HTKQQPXJJCJBAV-LDYMZIIASA-N 0 0 249.701 2.157 10 30 BEEERN C[C@H]1CSC[C@]1(C#N)NCc1ccccc1 ZINC000306485953 360162219 /nfs/dbraw/zinc/16/22/19/360162219.db2.gz ODXNXAMMJPOQFQ-AAEUAGOBSA-N 0 0 232.352 2.421 10 30 BEEERN C[C@H]1CCC[C@H](C)N1C(=O)C#CBr ZINC000306491905 360210057 /nfs/dbraw/zinc/21/00/57/360210057.db2.gz PAZMZAHUBNAOPV-IUCAKERBSA-N 0 0 244.132 2.132 10 30 BEEERN CC#C[C@@H](O)c1ccc(Br)o1 ZINC000306508019 360310139 /nfs/dbraw/zinc/31/01/39/360310139.db2.gz AADAMSLJZKONJK-ZCFIWIBFSA-N 0 0 215.046 2.099 10 30 BEEERN C#CCN(C)c1c(C)c(Cl)ccc1N ZINC000306521301 360359493 /nfs/dbraw/zinc/35/94/93/360359493.db2.gz MXXXQCUTYCUUID-UHFFFAOYSA-N 0 0 208.692 2.300 10 30 BEEERN CC(C)[C@H](S)C(=O)N1C2CCC1CC2 ZINC000306561771 360438903 /nfs/dbraw/zinc/43/89/03/360438903.db2.gz BYQGRUVAWHVKOQ-RTBKNWGFSA-N 0 0 213.346 2.094 10 30 BEEERN CSCCNc1cc(C#N)ncc1C ZINC000306537602 360403226 /nfs/dbraw/zinc/40/32/26/360403226.db2.gz LOSCFLNMXINIPF-UHFFFAOYSA-N 0 0 207.302 2.037 10 30 BEEERN Cc1c(Br)ccc(OCC#N)c1N ZINC000306583092 360482412 /nfs/dbraw/zinc/48/24/12/360482412.db2.gz DXNMNBDFIZEIOG-UHFFFAOYSA-N 0 0 241.088 2.242 10 30 BEEERN Cc1ccc(F)cc1[C@H]1CC(=O)C=C(N)C1 ZINC000149839699 360625975 /nfs/dbraw/zinc/62/59/75/360625975.db2.gz FNXLWSIZISHXHC-SECBINFHSA-N 0 0 219.259 2.423 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1S ZINC000238180739 360680154 /nfs/dbraw/zinc/68/01/54/360680154.db2.gz HYNWLTCHEVLKRL-JGVFFNPUSA-N 0 0 217.334 2.362 10 30 BEEERN CCOC(=O)Cc1ccc(C#N)c(Cl)c1 ZINC000238259000 360762583 /nfs/dbraw/zinc/76/25/83/360762583.db2.gz LKWZTTNLOMTTDY-UHFFFAOYSA-N 0 0 223.659 2.317 10 30 BEEERN C[C@H](N[C@H]1CCC[C@H]1C#N)C(F)(F)F ZINC000306611440 360794919 /nfs/dbraw/zinc/79/49/19/360794919.db2.gz GFLRRRVLGCZAKK-FXQIFTODSA-N 0 0 206.211 2.219 10 30 BEEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)C(F)(F)F ZINC000306611439 360795281 /nfs/dbraw/zinc/79/52/81/360795281.db2.gz GFLRRRVLGCZAKK-BIIVOSGPSA-N 0 0 206.211 2.219 10 30 BEEERN CCCC[C@@H](CC)COS(C)(=O)=O ZINC000039592965 360952443 /nfs/dbraw/zinc/95/24/43/360952443.db2.gz LEQWEVFVXAJEAF-SECBINFHSA-N 0 0 208.323 2.179 10 30 BEEERN C/C=C/CCNc1nnc(C)c(C)c1C#N ZINC000135473541 200811902 /nfs/dbraw/zinc/81/19/02/200811902.db2.gz ZFUFAXVYMUTIJO-SNAWJCMRSA-N 0 0 216.288 2.343 10 30 BEEERN COc1cccc(OC(F)(F)F)c1C#N ZINC000238383268 360988790 /nfs/dbraw/zinc/98/87/90/360988790.db2.gz DGFJZEWTSNUVIK-UHFFFAOYSA-N 0 0 217.146 2.465 10 30 BEEERN COc1c(C#N)cccc1OC(F)(F)F ZINC000238440949 361068333 /nfs/dbraw/zinc/06/83/33/361068333.db2.gz ULYRBRYBLXXIMK-UHFFFAOYSA-N 0 0 217.146 2.465 10 30 BEEERN CC(N=NC(N)=S)c1ccc(Cl)s1 ZINC000013115231 361095595 /nfs/dbraw/zinc/09/55/95/361095595.db2.gz APCFEGJUKJTYCB-WMZJFQQLSA-N 0 0 233.749 2.370 10 30 BEEERN Cc1ncc(OC(F)(F)F)cc1C#N ZINC000238485087 361115555 /nfs/dbraw/zinc/11/55/55/361115555.db2.gz CEPSADMGBBWGDW-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN Cc1nccc(C#N)c1OC(F)(F)F ZINC000238487853 361115575 /nfs/dbraw/zinc/11/55/75/361115575.db2.gz FTIBLEFZRJZZEE-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1cccc(F)c1OC(F)F ZINC000238524247 361139475 /nfs/dbraw/zinc/13/94/75/361139475.db2.gz HKFFGZRQPGJQDC-UHFFFAOYSA-N 0 0 201.147 2.493 10 30 BEEERN N#CCc1nc(OC(F)(F)F)ccc1F ZINC000238533395 361143026 /nfs/dbraw/zinc/14/30/26/361143026.db2.gz NNKJXXXPLRBJPG-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN Cc1cncc(OC(F)(F)F)c1C#N ZINC000238542495 361147039 /nfs/dbraw/zinc/14/70/39/361147039.db2.gz QLLVWPFGAQESST-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1cc(OC(F)(F)F)cnc1F ZINC000238598430 361162393 /nfs/dbraw/zinc/16/23/93/361162393.db2.gz RWMATMDYXUSUNT-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1ccc(N)c(OC(F)(F)F)c1 ZINC000238585209 361158281 /nfs/dbraw/zinc/15/82/81/361158281.db2.gz AFELVQRAJQFFCY-UHFFFAOYSA-N 0 0 216.162 2.233 10 30 BEEERN N#CCc1cccc(N)c1Br ZINC000238620963 361166708 /nfs/dbraw/zinc/16/67/08/361166708.db2.gz MLAZVYUBHJWKPX-UHFFFAOYSA-N 0 0 211.062 2.097 10 30 BEEERN N#CCc1c(N)cccc1OC(F)(F)F ZINC000238627467 361167458 /nfs/dbraw/zinc/16/74/58/361167458.db2.gz DIZUMQQWWKWAGE-UHFFFAOYSA-N 0 0 216.162 2.233 10 30 BEEERN N#Cc1ccnc(OC(F)(F)F)c1CF ZINC000238688413 361178978 /nfs/dbraw/zinc/17/89/78/361178978.db2.gz NRXWLDWQSMYXTN-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1nc(CF)ccc1OC(F)(F)F ZINC000238693098 361180373 /nfs/dbraw/zinc/18/03/73/361180373.db2.gz LBFBUBJVRLMJPY-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#CCc1cc(OC(F)(F)F)cc(F)n1 ZINC000238611715 361165793 /nfs/dbraw/zinc/16/57/93/361165793.db2.gz ZKPRXOIFRPXIPN-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#Cc1cccc(N[C@@H]2CCC[C@H]2C#N)n1 ZINC000381402695 361393901 /nfs/dbraw/zinc/39/39/01/361393901.db2.gz AUXVAVRXXGLHBN-GXSJLCMTSA-N 0 0 212.256 2.057 10 30 BEEERN C[C@H]1C[C@](C#N)(NCc2ccccc2)CCO1 ZINC000070367192 361509653 /nfs/dbraw/zinc/50/96/53/361509653.db2.gz YXSMYZJYJRANTC-GXTWGEPZSA-N 0 0 230.311 2.237 10 30 BEEERN C=CCOc1ccc(C[NH2+]CCCC(=O)[O-])cc1 ZINC000037417307 363888879 /nfs/dbraw/zinc/88/88/79/363888879.db2.gz DXMNGCQDKWCVOR-UHFFFAOYSA-N 0 0 249.310 2.206 10 30 BEEERN C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000328920029 541328649 /nfs/dbraw/zinc/32/86/49/541328649.db2.gz AWXJJNGMTQSJAV-LMLFDSFASA-N 0 0 239.315 2.126 10 30 BEEERN c1ccc2c(c1)ncnc2SC[C@@H]1CO1 ZINC000037715974 364545044 /nfs/dbraw/zinc/54/50/44/364545044.db2.gz LIEICVWJQSATDT-QMMMGPOBSA-N 0 0 218.281 2.121 10 30 BEEERN COC(=O)CC1([C@H]2CO2)CCC(F)(F)CC1 ZINC000675053920 541433120 /nfs/dbraw/zinc/43/31/20/541433120.db2.gz RATDNEGCBCDSJU-MRVPVSSYSA-N 0 0 234.242 2.144 10 30 BEEERN C=CCSCc1nnc(C(C)C)n1C ZINC000182354540 366889494 /nfs/dbraw/zinc/88/94/94/366889494.db2.gz LWOGXKVSYPZPFO-UHFFFAOYSA-N 0 0 211.334 2.358 10 30 BEEERN CCOC(=O)[C@H]1O[C@@]1(C)CCCC(F)(F)F ZINC000166775291 541488454 /nfs/dbraw/zinc/48/84/54/541488454.db2.gz BOFSPMWGOVESOL-APPZFPTMSA-N 0 0 240.221 2.440 10 30 BEEERN CC(C)(C#N)CCCCn1ccc(N)n1 ZINC000232527920 541505299 /nfs/dbraw/zinc/50/52/99/541505299.db2.gz CPGDJZRJASEMKE-UHFFFAOYSA-N 0 0 206.293 2.185 10 30 BEEERN CCCC[C@@]1(CC)O[C@@]1(Cl)C(=O)OC ZINC000232998190 541508708 /nfs/dbraw/zinc/50/87/08/541508708.db2.gz HJKJRQMLMXNPPT-ZJUUUORDSA-N 0 0 220.696 2.464 10 30 BEEERN N#Cc1ccnc(NCc2ccccc2)c1N ZINC000215021692 368138855 /nfs/dbraw/zinc/13/88/55/368138855.db2.gz IORSCBUKLNXHSB-UHFFFAOYSA-N 0 0 224.267 2.148 10 30 BEEERN N#CCc1ccc(O)cc1C(F)(F)F ZINC000215041782 368141216 /nfs/dbraw/zinc/14/12/16/368141216.db2.gz CCEDIUNVFLKPBK-UHFFFAOYSA-N 0 0 201.147 2.477 10 30 BEEERN CC(=O)N1CC(C)(C)c2ccc(C#N)cc21 ZINC000038952312 368328056 /nfs/dbraw/zinc/32/80/56/368328056.db2.gz TXNFLYSPNGFWBD-UHFFFAOYSA-N 0 0 214.268 2.202 10 30 BEEERN C=CC[C@H](COCc1ccccc1)OCC=O ZINC000038417929 368409155 /nfs/dbraw/zinc/40/91/55/368409155.db2.gz LCEKIQUKXLFGPQ-CQSZACIVSA-N 0 0 234.295 2.363 10 30 BEEERN CC(C)(C)C#CS(=O)(=O)c1ccccc1 ZINC000038435800 368409873 /nfs/dbraw/zinc/40/98/73/368409873.db2.gz ZQCSVYXKABEQNL-UHFFFAOYSA-N 0 0 222.309 2.467 10 30 BEEERN CC(=O)N(CCCC=O)c1cc(C)cc(C)n1 ZINC000082300797 368670002 /nfs/dbraw/zinc/67/00/02/368670002.db2.gz BRTQCYABNYGSNH-UHFFFAOYSA-N 0 0 234.299 2.030 10 30 BEEERN Cc1nc(C)n(-c2ccccc2C#N)c1[N+](=O)[O-] ZINC000114687571 368947001 /nfs/dbraw/zinc/94/70/01/368947001.db2.gz YHOJYANYRCYFFR-UHFFFAOYSA-N 0 0 242.238 2.269 10 30 BEEERN COc1ccc(C(=O)C#Cc2ccccc2)cn1 ZINC000116047287 369018017 /nfs/dbraw/zinc/01/80/17/369018017.db2.gz RDAVHHTZKCRUDG-UHFFFAOYSA-N 0 0 237.258 2.325 10 30 BEEERN CCN(c1ccc([N+](=O)[O-])cc1C#N)C1CC1 ZINC000106174783 369091463 /nfs/dbraw/zinc/09/14/63/369091463.db2.gz QXALXGVLMRXDNJ-UHFFFAOYSA-N 0 0 231.255 2.455 10 30 BEEERN O=C[C@H]1CCCCN1Cc1ccsc1 ZINC000054237736 369060952 /nfs/dbraw/zinc/06/09/52/369060952.db2.gz OYNKHZQALHAUBW-LLVKDONJSA-N 0 0 209.314 2.302 10 30 BEEERN C#CC[C@@H](O)Cc1ccccc1Br ZINC000055335037 369192949 /nfs/dbraw/zinc/19/29/49/369192949.db2.gz HZYSDCIKQAPKLN-SNVBAGLBSA-N 0 0 239.112 2.376 10 30 BEEERN N#C[C@H](NC(=O)c1csc(C2CC2)n1)C1CC1 ZINC000108829057 369410334 /nfs/dbraw/zinc/41/03/34/369410334.db2.gz LBVMICNGIZKVGX-VIFPVBQESA-N 0 0 247.323 2.052 10 30 BEEERN Cc1cc(CN[C@H]2CCC[C@@H]2C#N)sn1 ZINC000404479803 369430418 /nfs/dbraw/zinc/43/04/18/369430418.db2.gz DQRGQXOJBOXUSU-KOLCDFICSA-N 0 0 221.329 2.233 10 30 BEEERN CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1C#N ZINC000259943596 370957472 /nfs/dbraw/zinc/95/74/72/370957472.db2.gz KVRMCCRLAFHROK-VHSXEESVSA-N 0 0 208.305 2.231 10 30 BEEERN CC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1C#N ZINC000259943600 370958130 /nfs/dbraw/zinc/95/81/30/370958130.db2.gz KVRMCCRLAFHROK-ZJUUUORDSA-N 0 0 208.305 2.231 10 30 BEEERN Cc1cc(C#N)cc(N2C[C@H]3CCC[C@H]32)n1 ZINC000601120898 369593233 /nfs/dbraw/zinc/59/32/33/369593233.db2.gz LPWHNLIDNVDWCH-VXGBXAGGSA-N 0 0 213.284 2.250 10 30 BEEERN CC(C)Cn1cc(C#N)c(-c2ccncc2)n1 ZINC000409441098 369978443 /nfs/dbraw/zinc/97/84/43/369978443.db2.gz WEWRGFOLHLONGS-UHFFFAOYSA-N 0 0 226.283 2.473 10 30 BEEERN COc1ccc(-c2cnc(C#N)o2)cc1OC ZINC000409426017 369975617 /nfs/dbraw/zinc/97/56/17/369975617.db2.gz CLHKJUPJCIFCKH-UHFFFAOYSA-N 0 0 230.223 2.230 10 30 BEEERN Cc1cc(C)nc(N[C@H]2CCC[C@H]2C#N)n1 ZINC000309912250 370274845 /nfs/dbraw/zinc/27/48/45/370274845.db2.gz NJDCDTPZFCJLBX-QWRGUYRKSA-N 0 0 216.288 2.198 10 30 BEEERN Cc1cc(C)nc(N[C@@H]2CCC[C@@H]2C#N)n1 ZINC000309912246 370274953 /nfs/dbraw/zinc/27/49/53/370274953.db2.gz NJDCDTPZFCJLBX-GHMZBOCLSA-N 0 0 216.288 2.198 10 30 BEEERN CCOc1cc(CC#N)c(OC)cc1C ZINC000215267324 370384610 /nfs/dbraw/zinc/38/46/10/370384610.db2.gz VBCCPDGGYBAKBX-UHFFFAOYSA-N 0 0 205.257 2.468 10 30 BEEERN Cc1nc(C)c(CN[C@H]2CCCC[C@@H]2C#N)o1 ZINC000311831158 370440195 /nfs/dbraw/zinc/44/01/95/370440195.db2.gz LNOZWRNEUZKARE-NEPJUHHUSA-N 0 0 233.315 2.463 10 30 BEEERN Cc1nc(C)c(CN[C@@H]2CCCC[C@H]2C#N)o1 ZINC000311831160 370440340 /nfs/dbraw/zinc/44/03/40/370440340.db2.gz LNOZWRNEUZKARE-NWDGAFQWSA-N 0 0 233.315 2.463 10 30 BEEERN C=C(C)CN(CC)C(=O)NCc1cccc(C)n1 ZINC000123775446 371107151 /nfs/dbraw/zinc/10/71/51/371107151.db2.gz YFOSBWRHDNBMTG-UHFFFAOYSA-N 0 0 247.342 2.498 10 30 BEEERN Cc1nn(Cc2ccccc2C#N)c(C)c1N ZINC000019869449 371195147 /nfs/dbraw/zinc/19/51/47/371195147.db2.gz LMKHBQGVUAOZBQ-UHFFFAOYSA-N 0 0 226.283 2.002 10 30 BEEERN Cc1cc(CN[C@H]2CCC[C@@H]2C#N)ccn1 ZINC000391206441 371277769 /nfs/dbraw/zinc/27/77/69/371277769.db2.gz NNMLXVITBIWLIL-OLZOCXBDSA-N 0 0 215.300 2.172 10 30 BEEERN Cc1cc(CN[C@@H]2CCC[C@H]2C#N)ccn1 ZINC000391206444 371278053 /nfs/dbraw/zinc/27/80/53/371278053.db2.gz NNMLXVITBIWLIL-QWHCGFSZSA-N 0 0 215.300 2.172 10 30 BEEERN N#Cc1cnc2cc[nH]c(Br)c1-2 ZINC000095919798 371357430 /nfs/dbraw/zinc/35/74/30/371357430.db2.gz LIUDWFPZMNBKLT-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN Cc1cc(N(C)CC2CC2)c(C#N)c(C)n1 ZINC000156542687 371446756 /nfs/dbraw/zinc/44/67/56/371446756.db2.gz HNLAGYOIUOTLJH-UHFFFAOYSA-N 0 0 215.300 2.416 10 30 BEEERN Cc1cc(N[C@H]2CCCOC2)c(C#N)c(C)n1 ZINC000156581840 371457713 /nfs/dbraw/zinc/45/77/13/371457713.db2.gz CWWNUUUVIVSFSJ-NSHDSACASA-N 0 0 231.299 2.161 10 30 BEEERN CSc1c(F)cc(N)c(C#N)c1F ZINC000131558498 371623684 /nfs/dbraw/zinc/62/36/84/371623684.db2.gz BFTGKQCJJCQXKP-UHFFFAOYSA-N 0 0 200.213 2.141 10 30 BEEERN C#CC[C@H](O)[C@@H]1Cc2ccccc2S1 ZINC000162202010 371628375 /nfs/dbraw/zinc/62/83/75/371628375.db2.gz AFKJJVACIBXIRW-JQWIXIFHSA-N 0 0 204.294 2.088 10 30 BEEERN O=C[C@@H](O)c1cc2cc(Cl)ccc2o1 ZINC000131601508 371631318 /nfs/dbraw/zinc/63/13/18/371631318.db2.gz MOAFWKXHGGERJT-MRVPVSSYSA-N 0 0 210.616 2.319 10 30 BEEERN C#C[C@@H](CC)Nc1nc(Cl)nc(Cl)n1 ZINC000230020411 371637255 /nfs/dbraw/zinc/63/72/55/371637255.db2.gz HYJTUBFQWMGXEE-YFKPBYRVSA-N 0 0 231.086 2.002 10 30 BEEERN N#CC1(C(=O)OCc2ccccc2)CC1 ZINC000216304503 371739409 /nfs/dbraw/zinc/73/94/09/371739409.db2.gz PQYWGVAPIDTVDH-UHFFFAOYSA-N 0 0 201.225 2.034 10 30 BEEERN N#CCc1cc(F)cc(Br)c1O ZINC000216658406 371788211 /nfs/dbraw/zinc/78/82/11/371788211.db2.gz YLGNVABIKYECLK-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN N#Cc1cnc2nc(F)ccc2c1Cl ZINC000230094486 371846315 /nfs/dbraw/zinc/84/63/15/371846315.db2.gz LJLIODMJZQVURH-UHFFFAOYSA-N 0 0 207.595 2.294 10 30 BEEERN C[C@H](C=O)Cc1cccc2c1OCCC2 ZINC000132592188 371867764 /nfs/dbraw/zinc/86/77/64/371867764.db2.gz FSCZXFNNCYXZMW-JTQLQIEISA-N 0 0 204.269 2.389 10 30 BEEERN CC=C=CC(=O)c1ncccc1Br ZINC000133045596 371979249 /nfs/dbraw/zinc/97/92/49/371979249.db2.gz CJQODNKDXQDHGJ-UHFFFAOYSA-N 0 0 238.084 2.440 10 30 BEEERN CC(C)CSC1(C#N)CC2(COC2)C1 ZINC000228058452 371983481 /nfs/dbraw/zinc/98/34/81/371983481.db2.gz ABFOKVMONJGOPS-UHFFFAOYSA-N 0 0 211.330 2.448 10 30 BEEERN C#CC[C@H](N)C(=O)c1cc(C)ccc1Cl ZINC000306165899 371995458 /nfs/dbraw/zinc/99/54/58/371995458.db2.gz IOZOTLLNSAELAN-NSHDSACASA-N 0 0 221.687 2.182 10 30 BEEERN CC#CC(=O)Oc1ccccc1Br ZINC000306490763 372026550 /nfs/dbraw/zinc/02/65/50/372026550.db2.gz NQKNDJGLKJCMNR-UHFFFAOYSA-N 0 0 239.068 2.378 10 30 BEEERN C#CCOc1c(N)cccc1Br ZINC000133427016 372047516 /nfs/dbraw/zinc/04/75/16/372047516.db2.gz JMKCTMQLVJYDRV-UHFFFAOYSA-N 0 0 226.073 2.043 10 30 BEEERN OCCCC#Cc1occc1Br ZINC000163521988 372008228 /nfs/dbraw/zinc/00/82/28/372008228.db2.gz SDWNZHQIDZTNTC-UHFFFAOYSA-N 0 0 229.073 2.166 10 30 BEEERN CC#CC[C@H](O)[C@H]1SCCS[C@H]1CC ZINC000228278766 372011011 /nfs/dbraw/zinc/01/10/11/372011011.db2.gz CFUKAZFXZWOWTO-GARJFASQSA-N 0 0 230.398 2.388 10 30 BEEERN N#Cc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000306741024 372062508 /nfs/dbraw/zinc/06/25/08/372062508.db2.gz CXSHRECTIHYJJS-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN Cc1ccc(Br)c(N)c1C#N ZINC000133527682 372068904 /nfs/dbraw/zinc/06/89/04/372068904.db2.gz MVSCCEAVYMIRSX-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN C=C(Br)CN1CCC(F)(C#N)CC1 ZINC000306862000 372073536 /nfs/dbraw/zinc/07/35/36/372073536.db2.gz FXHNIIKEBNDIDI-UHFFFAOYSA-N 0 0 247.111 2.223 10 30 BEEERN CC[C@H](S)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000307243147 372101983 /nfs/dbraw/zinc/10/19/83/372101983.db2.gz JWLKQLHCTLAMTB-BBBLOLIVSA-N 0 0 215.362 2.390 10 30 BEEERN C=C(Br)CNc1cc(Cl)ncn1 ZINC000229316463 372141845 /nfs/dbraw/zinc/14/18/45/372141845.db2.gz DLUVXWNGVVYXKW-UHFFFAOYSA-N 0 0 248.511 2.451 10 30 BEEERN C=C(C)CNc1nnc(Br)s1 ZINC000229342691 372144030 /nfs/dbraw/zinc/14/40/30/372144030.db2.gz WBUUCEMBGJBLLY-UHFFFAOYSA-N 0 0 234.122 2.289 10 30 BEEERN Cc1nc(C(=O)[C@@H](C#N)C(C)C)cs1 ZINC000232708655 372154182 /nfs/dbraw/zinc/15/41/82/372154182.db2.gz LRFYJVPKYXAGRG-QMMMGPOBSA-N 0 0 208.286 2.430 10 30 BEEERN COc1ccc(-c2nnc(C#N)s2)cc1 ZINC000038363859 372564646 /nfs/dbraw/zinc/56/46/46/372564646.db2.gz UFKWDXGBGJCRLY-UHFFFAOYSA-N 0 0 217.253 2.085 10 30 BEEERN C[C@H](C#N)CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172916473 373108391 /nfs/dbraw/zinc/10/83/91/373108391.db2.gz RBOBMUVXOKOZSA-RAIGVLPGSA-N 0 0 234.343 2.479 10 30 BEEERN C#CCN(C)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000191099341 259570766 /nfs/dbraw/zinc/57/07/66/259570766.db2.gz OZBMKFPXVQWGCY-QWHCGFSZSA-N 0 0 219.328 2.294 10 30 BEEERN O=C1CCCC(=O)C1=CNc1ccc(F)cc1 ZINC000100140070 182725783 /nfs/dbraw/zinc/72/57/83/182725783.db2.gz PFXXMWYSXBMDRX-UHFFFAOYSA-N 0 0 233.242 2.444 10 30 BEEERN O=C[C@]1(c2ccncc2)Cc2ccccc2N1 ZINC000095931788 182857323 /nfs/dbraw/zinc/85/73/23/182857323.db2.gz QBQNABJZKXRNEQ-AWEZNQCLSA-N 0 0 224.263 2.144 10 30 BEEERN OCCC#Cc1cc(F)ccc1OCC(F)F ZINC000037756372 183041562 /nfs/dbraw/zinc/04/15/62/183041562.db2.gz YAFCHEFANMWLFW-UHFFFAOYSA-N 0 0 244.212 2.204 10 30 BEEERN CCCN(c1ccc(/C(N)=N/O)cc1)C1CC1 ZINC000037097354 169182449 /nfs/dbraw/zinc/18/24/49/169182449.db2.gz PGYJSBNCWDZLFO-UHFFFAOYSA-N 0 0 233.315 2.160 10 30 BEEERN S=C(NN=C1CCCC1)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000001045584 183311744 /nfs/dbraw/zinc/31/17/44/183311744.db2.gz UOOSNYCMDXLGIQ-SCVCMEIPSA-N 0 0 249.383 2.345 10 30 BEEERN CCCN[C@H](C#N)c1ccc2c(c1)CCO2 ZINC000037363936 169283694 /nfs/dbraw/zinc/28/36/94/169283694.db2.gz ICQBMQOSJKPSTG-GFCCVEGCSA-N 0 0 216.284 2.186 10 30 BEEERN CCCOCCOCCOc1ccccc1C#N ZINC000104234998 169310030 /nfs/dbraw/zinc/31/00/30/169310030.db2.gz DISRZMRZAYFXQF-UHFFFAOYSA-N 0 0 249.310 2.380 10 30 BEEERN CCCOCc1cc(C#CCCO)ccc1OC ZINC000049621824 169310164 /nfs/dbraw/zinc/31/01/64/169310164.db2.gz YDFIGMBHOZIYRB-UHFFFAOYSA-N 0 0 248.322 2.356 10 30 BEEERN CCCN[C@]1(C#N)CCc2ccccc21 ZINC000026516903 169293517 /nfs/dbraw/zinc/29/35/17/169293517.db2.gz HHKWUAGXEMSVOH-ZDUSSCGKSA-N 0 0 200.285 2.351 10 30 BEEERN CCC[C@@H](C#N)NC(=O)Nc1ccc(C#N)cc1 ZINC000040220823 169342627 /nfs/dbraw/zinc/34/26/27/169342627.db2.gz NWCYVHKQWRDIEI-LBPRGKRZSA-N 0 0 242.282 2.372 10 30 BEEERN CCC[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000044808619 169342931 /nfs/dbraw/zinc/34/29/31/169342931.db2.gz ALWOEAXMAXLUDK-JTQLQIEISA-N 0 0 208.305 2.375 10 30 BEEERN C#CCC(C)(C)C(=O)N[C@H]1COc2ccccc21 ZINC000185337406 532995426 /nfs/dbraw/zinc/99/54/26/532995426.db2.gz IKFQGJMKMPSWLP-LBPRGKRZSA-N 0 0 243.306 2.286 10 30 BEEERN C=CC[C@@H](C)NC(=O)N[C@H]1COc2ccccc21 ZINC000116951540 383941301 /nfs/dbraw/zinc/94/13/01/383941301.db2.gz HRXHZFTUPROGSQ-PWSUYJOCSA-N 0 0 246.310 2.384 10 30 BEEERN Cc1ccnc(N2C[C@H]3CCC[C@@H]32)c1C#N ZINC000336500294 384015955 /nfs/dbraw/zinc/01/59/55/384015955.db2.gz YEVMJANJTPUFDS-PWSUYJOCSA-N 0 0 213.284 2.250 10 30 BEEERN CCOc1cc(CC#N)cc(OC)c1C#N ZINC000575650824 384049053 /nfs/dbraw/zinc/04/90/53/384049053.db2.gz YERYLZZWATVXNT-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN C#Cc1cc(C(F)(F)F)nc(=S)[nH]1 ZINC000307365309 384031880 /nfs/dbraw/zinc/03/18/80/384031880.db2.gz JJISMCCLNSLDEW-UHFFFAOYSA-N 0 0 204.176 2.139 10 30 BEEERN C[C@@H](CC#N)NC(=O)C(C)(C)c1cccs1 ZINC000115350552 384077563 /nfs/dbraw/zinc/07/75/63/384077563.db2.gz LMBVTFDJEVNLPI-VIFPVBQESA-N 0 0 236.340 2.444 10 30 BEEERN c1ccc2sc(OC[C@@H]3CO3)nc2c1 ZINC000039240532 384111158 /nfs/dbraw/zinc/11/11/58/384111158.db2.gz IBJHKNWHCQFFQG-ZETCQYMHSA-N 0 0 207.254 2.074 10 30 BEEERN N#CC1(NC(=O)Cc2cccc(F)c2)CCCC1 ZINC000040215103 384130164 /nfs/dbraw/zinc/13/01/64/384130164.db2.gz PSDVJPVCNWMIAD-UHFFFAOYSA-N 0 0 246.285 2.321 10 30 BEEERN C=CC[C@@H](C)NC(=O)N1CCS[C@@H](C)C1 ZINC000116972496 384139983 /nfs/dbraw/zinc/13/99/83/384139983.db2.gz SATKIZLTIRIGKX-ZJUUUORDSA-N 0 0 228.361 2.098 10 30 BEEERN COc1cc(F)cc2cc(C#N)cnc21 ZINC000097758507 384276985 /nfs/dbraw/zinc/27/69/85/384276985.db2.gz UEXKEKVJYDWZRY-UHFFFAOYSA-N 0 0 202.188 2.254 10 30 BEEERN CCC[C@H]1C[C@H]1Nc1ccc(C#N)c(C)n1 ZINC000336671251 384248119 /nfs/dbraw/zinc/24/81/19/384248119.db2.gz SDTMTOWTIJVFHR-CMPLNLGQSA-N 0 0 215.300 2.284 10 30 BEEERN C#CCNCc1cccc(F)c1Br ZINC000156667139 384270798 /nfs/dbraw/zinc/27/07/98/384270798.db2.gz PYOMYPHRSZDZBB-UHFFFAOYSA-N 0 0 242.091 2.311 10 30 BEEERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1C#N ZINC000191836141 384343982 /nfs/dbraw/zinc/34/39/82/384343982.db2.gz PTWCMLMQFHLWPY-PWSUYJOCSA-N 0 0 244.294 2.312 10 30 BEEERN C#CCOc1ccccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000188066250 384359979 /nfs/dbraw/zinc/35/99/79/384359979.db2.gz FTWWOHAYBHEOSU-JQWIXIFHSA-N 0 0 244.294 2.229 10 30 BEEERN CCOc1cc(O)cc(CC#N)c1OC(F)F ZINC000575656724 384375078 /nfs/dbraw/zinc/37/50/78/384375078.db2.gz MSLGBMVWVRIOBO-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN CC(C)(C)OC(=O)N[C@H](C#N)CC(F)(F)F ZINC000095882057 384405072 /nfs/dbraw/zinc/40/50/72/384405072.db2.gz FNADWCYBGBHJDL-LURJTMIESA-N 0 0 238.209 2.356 10 30 BEEERN COc1c(OC(F)F)ccc(O)c1CC#N ZINC000575663268 384423380 /nfs/dbraw/zinc/42/33/80/384423380.db2.gz VHTDQUSXMFJDBQ-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN CC/C(Cl)=N/OC(=O)N(CC)CC ZINC000095678062 384388773 /nfs/dbraw/zinc/38/87/73/384388773.db2.gz AHWRKXVOKXWPEB-YFHOEESVSA-N 0 0 206.673 2.427 10 30 BEEERN C[C@@H]1CCC[C@H]1C(=O)NCC1(CC#N)CC1 ZINC000404262837 384431414 /nfs/dbraw/zinc/43/14/14/384431414.db2.gz SPXDBFAISHYGSV-GHMZBOCLSA-N 0 0 220.316 2.233 10 30 BEEERN CCOc1ccc(C#N)c([N+](=O)[O-])c1C ZINC000575670827 384461731 /nfs/dbraw/zinc/46/17/31/384461731.db2.gz NBDGTHUCJRUJBQ-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN ON=Cc1ccc(OCC(F)F)cc1 ZINC000254703032 384555851 /nfs/dbraw/zinc/55/58/51/384555851.db2.gz LXDPMBJVLKKZER-UHFFFAOYSA-N 0 0 201.172 2.139 10 30 BEEERN N#CCN[C@H](c1ccccn1)C1CCCC1 ZINC000309607293 384634339 /nfs/dbraw/zinc/63/43/39/384634339.db2.gz YJEXUORDQIFNRL-ZDUSSCGKSA-N 0 0 215.300 2.426 10 30 BEEERN CCOc1c(C)cc([N+](=O)[O-])cc1CC#N ZINC000575698655 384712981 /nfs/dbraw/zinc/71/29/81/384712981.db2.gz CKHUXASKGFJKEE-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN CCOc1cccc(C(=O)N[C@H](C#N)C2CC2)c1 ZINC000108834410 384748235 /nfs/dbraw/zinc/74/82/35/384748235.db2.gz TXWHYZMCXBVRSW-CYBMUJFWSA-N 0 0 244.294 2.117 10 30 BEEERN Cc1cc(CC#N)c(N)c(OC(F)F)c1 ZINC000575716818 384877611 /nfs/dbraw/zinc/87/76/11/384877611.db2.gz KBFDVRCGLTTYLT-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN COc1c(F)cc(F)c(F)c1CC#N ZINC000258094851 384857174 /nfs/dbraw/zinc/85/71/74/384857174.db2.gz KATBACJZXMOANW-UHFFFAOYSA-N 0 0 201.147 2.179 10 30 BEEERN N#CCc1ccc(F)c(N)c1Br ZINC000575714847 384862807 /nfs/dbraw/zinc/86/28/07/384862807.db2.gz UHYKVXUGRBJBRY-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#CCc1c(N)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575719836 384892634 /nfs/dbraw/zinc/89/26/34/384892634.db2.gz MDVRPTPHBWPEKJ-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN N#C[C@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000336677679 384929194 /nfs/dbraw/zinc/92/91/94/384929194.db2.gz MDEUFGAKYBRBIR-RNFRBKRXSA-N 0 0 238.272 2.155 10 30 BEEERN C=CCCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000102232966 384947030 /nfs/dbraw/zinc/94/70/30/384947030.db2.gz PXAQPODIZKDOEL-VXGBXAGGSA-N 0 0 223.316 2.123 10 30 BEEERN N#Cc1c(N)snc1-c1ccccc1 ZINC000034295657 385135622 /nfs/dbraw/zinc/13/56/22/385135622.db2.gz VIZFEBZHODCCHQ-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)N(C)c2ccc(C#N)cc2)O1 ZINC000158195415 385252473 /nfs/dbraw/zinc/25/24/73/385252473.db2.gz AIZPSBHYFQRIFR-MFKMUULPSA-N 0 0 244.294 2.089 10 30 BEEERN COc1nc2c(C#N)c(Cl)cnc2cc1C ZINC000396179726 385349274 /nfs/dbraw/zinc/34/92/74/385349274.db2.gz 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BEEERN Cc1ccnc(N[C@@H]2CCC[C@@H]2C#N)c1C#N ZINC000408182998 385631916 /nfs/dbraw/zinc/63/19/16/385631916.db2.gz NQDOBZCORGBKLV-ZYHUDNBSSA-N 0 0 226.283 2.366 10 30 BEEERN N#Cc1cc2ccc(F)cc2n1-c1ncccn1 ZINC000584639641 385700383 /nfs/dbraw/zinc/70/03/83/385700383.db2.gz APKJPXMDEXZTLM-UHFFFAOYSA-N 0 0 238.225 2.431 10 30 BEEERN CCC[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1C#N ZINC000231662610 385768955 /nfs/dbraw/zinc/76/89/55/385768955.db2.gz HRSDHUQSHUJTRM-GZMMTYOYSA-N 0 0 246.270 2.462 10 30 BEEERN N#Cc1c(Cl)c(C#N)c(C#N)c(C#N)c1Cl ZINC000584659711 385772191 /nfs/dbraw/zinc/77/21/91/385772191.db2.gz RTUFBMAGYOXOFG-UHFFFAOYSA-N 0 0 247.044 2.480 10 30 BEEERN N#Cc1nnc(-c2ccccc2F)s1 ZINC000259522983 385801385 /nfs/dbraw/zinc/80/13/85/385801385.db2.gz DLNOJHBPPLVIFK-UHFFFAOYSA-N 0 0 205.217 2.216 10 30 BEEERN CN(c1nccc(C#N)n1)C1CCCCC1 ZINC000231895909 385856631 /nfs/dbraw/zinc/85/66/31/385856631.db2.gz SCJWILQOBJLGCM-UHFFFAOYSA-N 0 0 216.288 2.117 10 30 BEEERN CC[C@H]1CCCCN1c1nccc(C#N)n1 ZINC000231896699 385857114 /nfs/dbraw/zinc/85/71/14/385857114.db2.gz LDKFWFPOFMNORP-NSHDSACASA-N 0 0 216.288 2.117 10 30 BEEERN CC(C)C(C)(C)CNc1cnc(C#N)cn1 ZINC000218911605 385911621 /nfs/dbraw/zinc/91/16/21/385911621.db2.gz CCLCXABUXJOSCN-UHFFFAOYSA-N 0 0 218.304 2.442 10 30 BEEERN CSC[C@H](C)N(C)c1ccc(C#N)cn1 ZINC000122470732 385922392 /nfs/dbraw/zinc/92/23/92/385922392.db2.gz HHUDTXQIAQBZPR-VIFPVBQESA-N 0 0 221.329 2.141 10 30 BEEERN CC1(C)CCCN(c2nccc(C#N)n2)CC1 ZINC000231902811 385871791 /nfs/dbraw/zinc/87/17/91/385871791.db2.gz IUXTVOGHLKGMCS-UHFFFAOYSA-N 0 0 230.315 2.365 10 30 BEEERN CCC1CCC(NC(=O)NC[C@@H](C)C#N)CC1 ZINC000182592554 385877865 /nfs/dbraw/zinc/87/78/65/385877865.db2.gz ZVDCRYLDMAEPNE-UNXYVOJBSA-N 0 0 237.347 2.414 10 30 BEEERN CCCCOc1ccc(/C=C/C(=O)NO)cc1 ZINC000005298780 386070233 /nfs/dbraw/zinc/07/02/33/386070233.db2.gz LPJNJBLMADVVOB-RMKNXTFCSA-N 0 0 235.283 2.384 10 30 BEEERN CC(C)[C@H](C)CC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408332146 386093576 /nfs/dbraw/zinc/09/35/76/386093576.db2.gz UYVLJFXOKGZYAW-UTUOFQBUSA-N 0 0 222.332 2.477 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000408331283 386096528 /nfs/dbraw/zinc/09/65/28/386096528.db2.gz QJXRAJHAWFJQDE-GRYCIOLGSA-N 0 0 218.300 2.151 10 30 BEEERN C=C[C@@H](O)c1ccnn1CCc1ccccc1 ZINC000521400146 386442793 /nfs/dbraw/zinc/44/27/93/386442793.db2.gz CGHGOKSOOYXJIV-CQSZACIVSA-N 0 0 228.295 2.345 10 30 BEEERN CC(C)(C)OC(=O)NC(C)(C)[C@H]1C[C@@H]1C=O ZINC000521400081 386446799 /nfs/dbraw/zinc/44/67/99/386446799.db2.gz ABOVZVGBFCJVCS-BDAKNGLRSA-N 0 0 227.304 2.125 10 30 BEEERN NC(=NO)c1nccc2c(F)cc(Cl)cc21 ZINC000521401050 386450757 /nfs/dbraw/zinc/45/07/57/386450757.db2.gz JTQMEMXJSMDLIV-UHFFFAOYSA-N 0 0 239.637 2.122 10 30 BEEERN CC(C)(C)OCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000336757294 386581748 /nfs/dbraw/zinc/58/17/48/386581748.db2.gz JZUKRKIRZVMWDA-MNOVXSKESA-N 0 0 210.321 2.083 10 30 BEEERN N#CCc1ccc(C#N)c(OC(F)F)c1F ZINC000575639918 386563918 /nfs/dbraw/zinc/56/39/18/386563918.db2.gz KQULSDBIZJNKHV-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN C=CCOc1ccc(CCC(=O)OC)cc1 ZINC000039953837 386652839 /nfs/dbraw/zinc/65/28/39/386652839.db2.gz XXUFWLOTDKGZMU-UHFFFAOYSA-N 0 0 220.268 2.357 10 30 BEEERN C=C[C@](C)(CCOC)C(=O)N[C@H](C)C(C)C ZINC000187863177 386653152 /nfs/dbraw/zinc/65/31/52/386653152.db2.gz QPXCAXFSTGZNHV-DGCLKSJQSA-N 0 0 227.348 2.376 10 30 BEEERN C#CCOc1ccc(C(=O)N[C@H](C)C(C)C)cc1 ZINC000129801634 533184253 /nfs/dbraw/zinc/18/42/53/533184253.db2.gz WMRWMHAZUMSPNP-GFCCVEGCSA-N 0 0 245.322 2.473 10 30 BEEERN COC(=O)c1ccc(OC(F)(F)F)c(C#N)c1 ZINC000575345090 386711598 /nfs/dbraw/zinc/71/15/98/386711598.db2.gz WLMKIQYMRLAXNY-UHFFFAOYSA-N 0 0 245.156 2.243 10 30 BEEERN Cc1ccc(Oc2ncccc2C#N)cn1 ZINC000050212046 386688556 /nfs/dbraw/zinc/68/85/56/386688556.db2.gz QZEMSTARCCSOCT-UHFFFAOYSA-N 0 0 211.224 2.449 10 30 BEEERN COC(=O)c1c(C#N)c(OC)ccc1C(F)F ZINC000575343612 386691359 /nfs/dbraw/zinc/69/13/59/386691359.db2.gz QDZSZOJSWQIICM-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1cc(C(F)F)c(C#N)cc1OC ZINC000575343516 386691387 /nfs/dbraw/zinc/69/13/87/386691387.db2.gz CNHPMRYDSFOWPB-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN CCOC(=O)Cc1cc(C#N)c(F)c(CC)c1 ZINC000575344434 386691666 /nfs/dbraw/zinc/69/16/66/386691666.db2.gz JLTICBBFEQKREU-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN COC(=O)c1cc(OC)c(C(F)F)cc1C#N ZINC000575343543 386692034 /nfs/dbraw/zinc/69/20/34/386692034.db2.gz GNSQOGVJNMTNBV-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN CCOC(=O)Cc1cc(F)cc(C#N)c1CC ZINC000575344441 386692102 /nfs/dbraw/zinc/69/21/02/386692102.db2.gz OSTDTKHCUVVNSP-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN COC(=O)c1c(C#N)ccc(C(F)F)c1OC ZINC000575343626 386692275 /nfs/dbraw/zinc/69/22/75/386692275.db2.gz SRROJULSYZQUTR-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)CCCC(=O)c1ccc(F)c(C#N)c1 ZINC000575361757 386762984 /nfs/dbraw/zinc/76/29/84/386762984.db2.gz DRDCZOIZHLQTFX-UHFFFAOYSA-N 0 0 249.241 2.223 10 30 BEEERN CCc1cc(C(=O)NCCC#N)sc1C ZINC000330595411 386804680 /nfs/dbraw/zinc/80/46/80/386804680.db2.gz QRIFJMMQWJJBCZ-UHFFFAOYSA-N 0 0 222.313 2.262 10 30 BEEERN COC(=O)c1ccc(C#N)c(F)c1OC(F)F ZINC000575385680 386947430 /nfs/dbraw/zinc/94/74/30/386947430.db2.gz DJEATBIGMKCADN-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN CCc1cc(CC(=O)OC)c(CC)cc1C#N ZINC000575385230 386942945 /nfs/dbraw/zinc/94/29/45/386942945.db2.gz DWTIVBOQLWZQOC-UHFFFAOYSA-N 0 0 231.295 2.399 10 30 BEEERN CCc1cc(C#N)c(CC)c(CC(=O)OC)c1 ZINC000575385207 386944080 /nfs/dbraw/zinc/94/40/80/386944080.db2.gz CMGLRTVIJAOUBR-UHFFFAOYSA-N 0 0 231.295 2.399 10 30 BEEERN COC(=O)c1ccc(OC(F)F)c(C)c1C#N ZINC000575388828 386953463 /nfs/dbraw/zinc/95/34/63/386953463.db2.gz XCMHCFFSDVTNKQ-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN COC(=O)Cc1cc(F)c(C#N)cc1C(F)F ZINC000575389356 386953516 /nfs/dbraw/zinc/95/35/16/386953516.db2.gz BJYFCDJGSXMKLQ-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN COC(=O)Cc1cc(C(F)F)c(F)cc1C#N ZINC000575389737 386954286 /nfs/dbraw/zinc/95/42/86/386954286.db2.gz OCOOXJJXBIJTLC-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN COC(=O)Cc1c(F)c(C#N)ccc1C(F)F ZINC000575390003 386954507 /nfs/dbraw/zinc/95/45/07/386954507.db2.gz ZPDLAMUATIQZIT-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN CCOC(=O)Cc1cc(CC)c(C#N)cc1C=O ZINC000575387819 386956118 /nfs/dbraw/zinc/95/61/18/386956118.db2.gz WELYQDATRRBFHK-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)Cc1c(C#N)cc(C=O)cc1CC ZINC000575387889 386957425 /nfs/dbraw/zinc/95/74/25/386957425.db2.gz YVTJNUYUINMLRU-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)c1c(C#N)ccc(OC)c1CC ZINC000575388059 386957973 /nfs/dbraw/zinc/95/79/73/386957973.db2.gz RGWAWTOGGFUJCW-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CCOC(=O)Cc1cc(CC)c(OC)cc1C#N ZINC000575388067 386958071 /nfs/dbraw/zinc/95/80/71/386958071.db2.gz RULSUTXMNNVKFS-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN CCOC(=O)c1cc(O)c(C#N)c(C(F)F)c1 ZINC000575388115 386958709 /nfs/dbraw/zinc/95/87/09/386958709.db2.gz WXDWBPNCHUXPMF-UHFFFAOYSA-N 0 0 241.193 2.378 10 30 BEEERN CCOC(=O)Cc1cc(CC)c(C#N)cc1OC ZINC000575388009 386958810 /nfs/dbraw/zinc/95/88/10/386958810.db2.gz KZYBJPDGBZASON-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN CCOC(=O)c1cc(CC)c(C#N)c(OC)c1 ZINC000575388052 386958954 /nfs/dbraw/zinc/95/89/54/386958954.db2.gz PRWSPPQYPYLWTC-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CCOC(=O)c1ccc(OC)c(CC)c1C#N ZINC000575388038 386959046 /nfs/dbraw/zinc/95/90/46/386959046.db2.gz OQWGHRXUHHUZBV-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN COC(=O)c1c(O)ccc(C#N)c1C(F)(F)F ZINC000575391682 386963685 /nfs/dbraw/zinc/96/36/85/386963685.db2.gz DUIAUJHTXMRGAI-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN COC(=O)c1cc(O)cc(C#N)c1C(F)(F)F ZINC000575392051 386964558 /nfs/dbraw/zinc/96/45/58/386964558.db2.gz NGMNKNYXPVHIQI-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN COC(=O)c1c(C#N)c(O)ccc1C(F)(F)F ZINC000575392011 386964934 /nfs/dbraw/zinc/96/49/34/386964934.db2.gz LBKNLMOPJURBSC-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN CCOC(=O)c1cc(C#N)c(C=O)cc1CC ZINC000575387570 386949363 /nfs/dbraw/zinc/94/93/63/386949363.db2.gz HMMJQBGUOVHPKN-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN CCOC(=O)Cc1cc(C#N)cc(OC)c1CC ZINC000575388179 386951394 /nfs/dbraw/zinc/95/13/94/386951394.db2.gz ZSBSYHRFHPVUNO-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN COC(=O)c1cc(C#N)c(C)c(OC(F)F)c1 ZINC000575388312 386951422 /nfs/dbraw/zinc/95/14/22/386951422.db2.gz BVBWDXNFORVLCS-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN N#CCc1cc(OC(F)F)cc(O)c1F ZINC000575659407 387045748 /nfs/dbraw/zinc/04/57/48/387045748.db2.gz NRIIFKCWTRGJSV-UHFFFAOYSA-N 0 0 217.146 2.199 10 30 BEEERN Cn1cc(C(=O)/C=C/Cl)nc1Br ZINC000575471579 387107938 /nfs/dbraw/zinc/10/79/38/387107938.db2.gz UVKHTPMUTPRPQX-NSCUHMNNSA-N 0 0 249.495 2.118 10 30 BEEERN N#CCc1cc([N+](=O)[O-])c(F)cc1OC(F)F ZINC000575661237 387067789 /nfs/dbraw/zinc/06/77/89/387067789.db2.gz IKSHDVPNSFOQPM-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN C=CC(=O)c1ncsc1Br ZINC000575479219 387176343 /nfs/dbraw/zinc/17/63/43/387176343.db2.gz UFDLNBFJMQGGLK-UHFFFAOYSA-N 0 0 218.075 2.274 10 30 BEEERN C[C@H]1CCC[C@@H]1C(=O)NC1(C#N)CCCC1 ZINC000230044532 387229599 /nfs/dbraw/zinc/22/95/99/387229599.db2.gz BQTZHKZYRXSTAC-QWRGUYRKSA-N 0 0 220.316 2.375 10 30 BEEERN C[C@@H]1CCC[C@H]1C(=O)N1CCC(C#N)CC1 ZINC000230170981 387240706 /nfs/dbraw/zinc/24/07/06/387240706.db2.gz MZRRKMJYXDQGBK-ZYHUDNBSSA-N 0 0 220.316 2.185 10 30 BEEERN Cc1cc([N+](=O)[O-])cc(OC(F)F)c1C#N ZINC000575665183 387313201 /nfs/dbraw/zinc/31/32/01/387313201.db2.gz BVRXFMFNUXZJNA-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN Cc1cc(C#N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575665404 387313398 /nfs/dbraw/zinc/31/33/98/387313398.db2.gz DBHYMELJWPPLLW-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN N#C[C@@]1(N)CCc2ccc(Br)cc21 ZINC000260156802 387306262 /nfs/dbraw/zinc/30/62/62/387306262.db2.gz DNPFLBOJQASLCD-JTQLQIEISA-N 0 0 237.100 2.073 10 30 BEEERN COc1c(Cl)cc(/C=N/O)cc1C#N ZINC000575602900 387366962 /nfs/dbraw/zinc/36/69/62/387366962.db2.gz VYIPSDVHWSUDEO-LFYBBSHMSA-N 0 0 210.620 2.028 10 30 BEEERN C=C1CCN(C(=O)NCc2ccccc2)C1 ZINC000575508031 387371397 /nfs/dbraw/zinc/37/13/97/387371397.db2.gz GWYDBLSQVQMTRL-UHFFFAOYSA-N 0 0 216.284 2.158 10 30 BEEERN CCOc1c(C#N)c(F)ccc1[N+](=O)[O-] ZINC000575670332 387331575 /nfs/dbraw/zinc/33/15/75/387331575.db2.gz JPBHOZYUBXCFNQ-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN CCOc1cc(C#N)cc(C)c1[N+](=O)[O-] ZINC000575670487 387334982 /nfs/dbraw/zinc/33/49/82/387334982.db2.gz IYZXSSYXHDFXQI-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CCOc1cc(C#N)c(CC)c([N+](=O)[O-])c1 ZINC000575670977 387336755 /nfs/dbraw/zinc/33/67/55/387336755.db2.gz RGCOZCWZEPHLQQ-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN CCOc1c(CC)ccc(C#N)c1[N+](=O)[O-] ZINC000575671059 387337797 /nfs/dbraw/zinc/33/77/97/387337797.db2.gz SNYSFDPVOXSLHW-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN CCOc1c(C#N)ccc([N+](=O)[O-])c1F ZINC000575671088 387338587 /nfs/dbraw/zinc/33/85/87/387338587.db2.gz 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ZINC000575715968 387430641 /nfs/dbraw/zinc/43/06/41/387430641.db2.gz BGZUZXKDPRIWKF-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN CCOc1ccc(OC(F)F)c(N)c1CC#N ZINC000575715964 387430931 /nfs/dbraw/zinc/43/09/31/387430931.db2.gz BAGFRNQGMVBGBQ-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN CCc1cc(N)c(CC#N)c(OC(F)F)c1 ZINC000575716340 387431639 /nfs/dbraw/zinc/43/16/39/387431639.db2.gz RASMWNQGSPASDQ-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN CCOc1ccc(N)c(OC(F)F)c1CC#N ZINC000575716167 387432183 /nfs/dbraw/zinc/43/21/83/387432183.db2.gz MDUYKJIABDQRNJ-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN Cc1cc(CC#N)c(N)cc1OC(F)F ZINC000575717582 387436947 /nfs/dbraw/zinc/43/69/47/387436947.db2.gz SXCVGRUWJGEGPU-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN N#CCc1c(N)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575720403 387441500 /nfs/dbraw/zinc/44/15/00/387441500.db2.gz VORKODUIWYQJFX-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN N#CCc1cc(N)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575720587 387442777 /nfs/dbraw/zinc/44/27/77/387442777.db2.gz ZXSCZKYWLZLVCN-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000191370564 387386749 /nfs/dbraw/zinc/38/67/49/387386749.db2.gz QUPURVVCVAWAIG-GWCFXTLKSA-N 0 0 244.294 2.312 10 30 BEEERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000191370553 387387163 /nfs/dbraw/zinc/38/71/63/387387163.db2.gz QUPURVVCVAWAIG-MFKMUULPSA-N 0 0 244.294 2.312 10 30 BEEERN CCOc1cc(C)c(OC)c(CC#N)c1 ZINC000575698218 387393034 /nfs/dbraw/zinc/39/30/34/387393034.db2.gz GOUAMWMAXJNXKH-UHFFFAOYSA-N 0 0 205.257 2.468 10 30 BEEERN CCOc1c(F)cc([N+](=O)[O-])cc1CC#N ZINC000575697890 387393335 /nfs/dbraw/zinc/39/33/35/387393335.db2.gz QXHWTRLTQWFRFC-UHFFFAOYSA-N 0 0 224.191 2.199 10 30 BEEERN CCOc1c(OC)ccc(OC)c1CC#N ZINC000575695831 387395871 /nfs/dbraw/zinc/39/58/71/387395871.db2.gz HGJJFAVDUCXOBB-UHFFFAOYSA-N 0 0 221.256 2.169 10 30 BEEERN N#CCc1ccc(Br)c(N)c1F ZINC000575713820 387408118 /nfs/dbraw/zinc/40/81/18/387408118.db2.gz 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Cc1cnc([C@@H](C)NCc2nc(C#N)cs2)o1 ZINC000352853810 387513370 /nfs/dbraw/zinc/51/33/70/387513370.db2.gz OWIPFTMSQVYUJU-MRVPVSSYSA-N 0 0 248.311 2.162 10 30 BEEERN COC[C@@H](C)Nc1cc(C#N)ccc1C ZINC000053197415 387531777 /nfs/dbraw/zinc/53/17/77/387531777.db2.gz CMWDHLDQIUWJLD-SNVBAGLBSA-N 0 0 204.273 2.314 10 30 BEEERN COC[C@H](C)Nc1cc(C#N)ccc1C ZINC000053197414 387532025 /nfs/dbraw/zinc/53/20/25/387532025.db2.gz CMWDHLDQIUWJLD-JTQLQIEISA-N 0 0 204.273 2.314 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000052291308 387469919 /nfs/dbraw/zinc/46/99/19/387469919.db2.gz FINOBUIHPPDDDL-XCBNKYQSSA-N 0 0 217.228 2.287 10 30 BEEERN C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000052288155 387469933 /nfs/dbraw/zinc/46/99/33/387469933.db2.gz GARGIXJHYVRCAK-PELKAZGASA-N 0 0 204.248 2.195 10 30 BEEERN CC[N+]([O-])=Cc1snnc1-c1ccccc1 ZINC000575732300 387475445 /nfs/dbraw/zinc/47/54/45/387475445.db2.gz RKGLOWQDFNTDAU-CSKARUKUSA-N 0 0 234.304 2.223 10 30 BEEERN N#C[C@H](N)c1ccsc1C(F)(F)F ZINC000575549479 387647218 /nfs/dbraw/zinc/64/72/18/387647218.db2.gz LGZSFLNXAWXNBV-YFKPBYRVSA-N 0 0 206.192 2.290 10 30 BEEERN Cc1cc(C)cc(-c2nc(CC#N)no2)c1 ZINC000073641367 177889190 /nfs/dbraw/zinc/88/91/90/177889190.db2.gz OXANWHKSMVOPKW-UHFFFAOYSA-N 0 0 213.240 2.420 10 30 BEEERN N#CCc1c(F)cc(C#N)cc1OC(F)F ZINC000575638771 387833602 /nfs/dbraw/zinc/83/36/02/387833602.db2.gz AKIOOIFGBHCVFP-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN COc1cc(CC#N)c(C#N)cc1OC(F)F ZINC000575639972 387837887 /nfs/dbraw/zinc/83/78/87/387837887.db2.gz DUJXFMQHGXFOAK-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccoc1Cl ZINC000236041116 387873539 /nfs/dbraw/zinc/87/35/39/387873539.db2.gz ROYWUXSYQTVSJZ-VXNVDRBHSA-N 0 0 238.674 2.355 10 30 BEEERN COc1cc(CC#N)c(C#N)c(OC(F)F)c1 ZINC000575640985 387841623 /nfs/dbraw/zinc/84/16/23/387841623.db2.gz LBSUBXPAKBFNTF-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN COc1cc(OC(F)F)cc(C#N)c1CC#N ZINC000575642107 387845865 /nfs/dbraw/zinc/84/58/65/387845865.db2.gz XGCAIKSNJLTIKE-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN COc1cc(CC#N)cc(OC(F)F)c1C#N ZINC000575642073 387846027 /nfs/dbraw/zinc/84/60/27/387846027.db2.gz VVPOQDMNOFZTJJ-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN COc1cc(C#N)cc(CC#N)c1OC(F)F ZINC000575642188 387846107 /nfs/dbraw/zinc/84/61/07/387846107.db2.gz ZUZMELKIQDKXJL-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN CCOc1cc(CC#N)cc(OCC)c1C#N ZINC000575641259 387846219 /nfs/dbraw/zinc/84/62/19/387846219.db2.gz YJLHQARNHQEUIG-UHFFFAOYSA-N 0 0 230.267 2.422 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000061888535 387846882 /nfs/dbraw/zinc/84/68/82/387846882.db2.gz QJDKNBOKAZLINN-DGCLKSJQSA-N 0 0 243.310 2.121 10 30 BEEERN Cc1ccc(O)c(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000061888889 387848833 /nfs/dbraw/zinc/84/88/33/387848833.db2.gz KIJWIVRDFXRVQH-CMPLNLGQSA-N 0 0 244.294 2.123 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)o1 ZINC000061888773 387848884 /nfs/dbraw/zinc/84/88/84/387848884.db2.gz MRXOREWAVLYEHA-VHSXEESVSA-N 0 0 218.256 2.010 10 30 BEEERN CCc1cc(O)cc(C#N)c1OC(F)F ZINC000575653558 387895682 /nfs/dbraw/zinc/89/56/82/387895682.db2.gz KDPYSPUJHYJFGS-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCc1cc(O)c(OC(F)F)cc1C#N ZINC000575653744 387896511 /nfs/dbraw/zinc/89/65/11/387896511.db2.gz MVPKAEWLXOYFGY-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN C=CCOCCCC(=O)N[C@@H](C)C(C)C ZINC000173235119 387880497 /nfs/dbraw/zinc/88/04/97/387880497.db2.gz JVWRNJDJGZJWHB-NSHDSACASA-N 0 0 213.321 2.130 10 30 BEEERN CCOc1cc(C)c(CC#N)cc1C#N ZINC000575646631 387881491 /nfs/dbraw/zinc/88/14/91/387881491.db2.gz FBGYLTPXRSQBBH-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN COc1c(CC#N)ccc(OC(F)F)c1OC ZINC000575652496 387900889 /nfs/dbraw/zinc/90/08/89/387900889.db2.gz HKIFAFIFBOTTTN-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN CN[C@H](C#N)c1csc(Br)c1 ZINC000306316583 388034892 /nfs/dbraw/zinc/03/48/92/388034892.db2.gz YNVUHHPIYIGCEJ-ZCFIWIBFSA-N 0 0 231.118 2.295 10 30 BEEERN C=CC[C@H](C)NC(=O)NCc1cccc(C)n1 ZINC000116946400 388080063 /nfs/dbraw/zinc/08/00/63/388080063.db2.gz NZOZVZWKLAEBFO-JTQLQIEISA-N 0 0 233.315 2.154 10 30 BEEERN CN(Cc1ccccc1C#N)C[C@H]1CCCO1 ZINC000042338128 388087193 /nfs/dbraw/zinc/08/71/93/388087193.db2.gz QJZCBPYJGWSDAP-CQSZACIVSA-N 0 0 230.311 2.169 10 30 BEEERN N#Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000592715679 388162247 /nfs/dbraw/zinc/16/22/47/388162247.db2.gz TVPOYSYSGTZISZ-IACUBPJLSA-N 0 0 240.306 2.477 10 30 BEEERN C=C(C)CN(CC)Cc1nnc(C2CC2)n1C ZINC000195430193 388163162 /nfs/dbraw/zinc/16/31/62/388163162.db2.gz OWIWVMFPMLVGFB-UHFFFAOYSA-N 0 0 234.347 2.091 10 30 BEEERN CC(C)C[S@](=O)[C@H]1CCCC[C@H]1C#N ZINC000250560102 388177387 /nfs/dbraw/zinc/17/73/87/388177387.db2.gz HMODMIAGBFBCHR-MJVIPROJSA-N 0 0 213.346 2.473 10 30 BEEERN COc1cc(F)c2ccnc(C#N)c2c1 ZINC000521400694 256516866 /nfs/dbraw/zinc/51/68/66/256516866.db2.gz CFCBMCSOSYVLGH-UHFFFAOYSA-N 0 0 202.188 2.254 10 30 BEEERN C#CCN(C(=O)[C@@H]1CC[C@@H](C)O1)C1CCCCC1 ZINC000490820444 388255787 /nfs/dbraw/zinc/25/57/87/388255787.db2.gz OKPIGZHAKGHHMS-OCCSQVGLSA-N 0 0 249.354 2.348 10 30 BEEERN Cn1ncc(Cl)c1C(=O)/C=C/Cl ZINC000575518259 388354987 /nfs/dbraw/zinc/35/49/87/388354987.db2.gz SYMVSFVULRLCSQ-NSCUHMNNSA-N 0 0 205.044 2.009 10 30 BEEERN N#Cc1ccc(N2CCO[C@H]3CCCC[C@H]32)nc1 ZINC000227164105 388358918 /nfs/dbraw/zinc/35/89/18/388358918.db2.gz CUISZGLSFHNMQI-OLZOCXBDSA-N 0 0 243.310 2.101 10 30 BEEERN CCOC(=O)Cc1cc(C#N)c(CC)c(OC)c1 ZINC000575388017 388468053 /nfs/dbraw/zinc/46/80/53/388468053.db2.gz MLFVVXXDXIMARR-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN CCOC(=O)c1cc(CC)c([N+](=O)[O-])cc1C#N ZINC000575388743 388471085 /nfs/dbraw/zinc/47/10/85/388471085.db2.gz BKTOGZVKXHRRFI-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN O=CCc1ccc(F)cc1Br ZINC000069049531 388412773 /nfs/dbraw/zinc/41/27/73/388412773.db2.gz GBTGVOUIDHLARE-UHFFFAOYSA-N 0 0 217.037 2.330 10 30 BEEERN CC(=N\O)/C(C)=N/OCc1ccccc1 ZINC000005725412 256776557 /nfs/dbraw/zinc/77/65/57/256776557.db2.gz VZYIIAMRZFWXIP-JOWSBRCASA-N 0 0 206.245 2.429 10 30 BEEERN COC(=O)c1cc(C(F)(F)F)cc(O)c1C#N ZINC000575391690 388596861 /nfs/dbraw/zinc/59/68/61/388596861.db2.gz FTIARFNFSCJPBV-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN C[C@H]1[C@H](O)CCCN1Cc1cc(C#N)ccc1F ZINC000296271787 388601088 /nfs/dbraw/zinc/60/10/88/388601088.db2.gz OKXGJXMYCXAOCB-IINYFYTJSA-N 0 0 248.301 2.043 10 30 BEEERN C#CCNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183461227 388570028 /nfs/dbraw/zinc/57/00/28/388570028.db2.gz HQZSGDBPOVEXMW-GHMZBOCLSA-N 0 0 207.317 2.198 10 30 BEEERN CC(C)(C)SCC(=O)Nc1ccc(C#N)cn1 ZINC000110287503 388642177 /nfs/dbraw/zinc/64/21/77/388642177.db2.gz SJLPRHUWZWNMEH-UHFFFAOYSA-N 0 0 249.339 2.423 10 30 BEEERN N#Cc1cccc(N[C@@H]2COc3ccccc32)n1 ZINC000080118719 388707618 /nfs/dbraw/zinc/70/76/18/388707618.db2.gz KUMDPNQRSHYHFC-GFCCVEGCSA-N 0 0 237.262 2.499 10 30 BEEERN C=CCCCN(C)C(=O)NC[C@@]1(C)CCCO1 ZINC000127012806 388710593 /nfs/dbraw/zinc/71/05/93/388710593.db2.gz IXRVTMFSJKLCCD-CYBMUJFWSA-N 0 0 240.347 2.163 10 30 BEEERN COC(=O)c1cc(Br)c(C#N)s1 ZINC000082048810 388723442 /nfs/dbraw/zinc/72/34/42/388723442.db2.gz CLUNERGOTORYPP-UHFFFAOYSA-N 0 0 246.085 2.169 10 30 BEEERN CC(C)[C@H]1CCCCN1c1cnc(C#N)cn1 ZINC000124960346 388762491 /nfs/dbraw/zinc/76/24/91/388762491.db2.gz QRNTZHLDMJGHAM-GFCCVEGCSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130682732 388766598 /nfs/dbraw/zinc/76/65/98/388766598.db2.gz WZWPREAGUXTQAC-WCBMZHEXSA-N 0 0 247.254 2.056 10 30 BEEERN C=C[C@@H](C)Oc1nnc(Br)s1 ZINC000575462129 388824531 /nfs/dbraw/zinc/82/45/31/388824531.db2.gz OLCWLRPTHVBRBR-SCSAIBSYSA-N 0 0 235.106 2.254 10 30 BEEERN COC(=O)c1cc(C#N)ccc1OC(F)(F)F ZINC000575344891 388842152 /nfs/dbraw/zinc/84/21/52/388842152.db2.gz GPACJULIIDLMIV-UHFFFAOYSA-N 0 0 245.156 2.243 10 30 BEEERN SCc1ccncc1Br ZINC000575472432 388849853 /nfs/dbraw/zinc/84/98/53/388849853.db2.gz NFILIBKKOVGHFJ-UHFFFAOYSA-N 0 0 204.092 2.274 10 30 BEEERN C[C@H]1CSC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496598 388974013 /nfs/dbraw/zinc/97/40/13/388974013.db2.gz PRYQFDXZLGHQGV-KWQFWETISA-N 0 0 242.344 2.156 10 30 BEEERN C=C1CN(c2cccc(Br)c2N)C1 ZINC000575501514 388990643 /nfs/dbraw/zinc/99/06/43/388990643.db2.gz MMPDRXHGTCRILW-UHFFFAOYSA-N 0 0 239.116 2.408 10 30 BEEERN CN(CCC#N)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000109028423 322816674 /nfs/dbraw/zinc/81/66/74/322816674.db2.gz NDVRXWOCHNFIKL-OLZOCXBDSA-N 0 0 228.295 2.162 10 30 BEEERN C#C[C@H](C)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000186059060 533295712 /nfs/dbraw/zinc/29/57/12/533295712.db2.gz ZFAZXSCDIIYWAJ-UHTWSYAYSA-N 0 0 219.328 2.341 10 30 BEEERN C=C(C)CS(=O)(=O)NC1CCC(CC)CC1 ZINC000189540526 533524028 /nfs/dbraw/zinc/52/40/28/533524028.db2.gz XFGABWSYNLEYJQ-UHFFFAOYSA-N 0 0 245.388 2.451 10 30 BEEERN N#Cc1cccnc1N1CCO[C@H]2CCCC[C@@H]21 ZINC000043427688 132224506 /nfs/dbraw/zinc/22/45/06/132224506.db2.gz RYCJDAODYSBZMS-STQMWFEESA-N 0 0 243.310 2.101 10 30 BEEERN C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000302756045 132266244 /nfs/dbraw/zinc/26/62/44/132266244.db2.gz WQYVMQWKWGFNTH-SECBINFHSA-N 0 0 246.270 2.098 10 30 BEEERN C[C@H]1CCc2ccccc2N1CCC/C(N)=N/O ZINC000019471858 132325079 /nfs/dbraw/zinc/32/50/79/132325079.db2.gz GAKLAOQJZDKNRX-NSHDSACASA-N 0 0 247.342 2.354 10 30 BEEERN Cc1ccc2c(c1)CCCN2CCC/C(N)=N/O ZINC000019505008 132325777 /nfs/dbraw/zinc/32/57/77/132325777.db2.gz OBDLVVCHKWMKOB-UHFFFAOYSA-N 0 0 247.342 2.274 10 30 BEEERN CC1CCN(c2ccc(/C(N)=N/O)cc2)CC1 ZINC000019865630 132327865 /nfs/dbraw/zinc/32/78/65/132327865.db2.gz ZBBHLAZKKBUEHI-UHFFFAOYSA-N 0 0 233.315 2.017 10 30 BEEERN C[C@@H]1CCCCN1c1ccc(/C(N)=N/O)cc1 ZINC000019865642 132327903 /nfs/dbraw/zinc/32/79/03/132327903.db2.gz BDBYWIHECSWRLC-SNVBAGLBSA-N 0 0 233.315 2.160 10 30 BEEERN C[C@H]1CN(c2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000036886431 132342744 /nfs/dbraw/zinc/34/27/44/132342744.db2.gz OIZWFBVKNXUGNB-UWVGGRQHSA-N 0 0 234.274 2.311 10 30 BEEERN CCCO[C@H]1CCCN(c2ncccc2C#N)C1 ZINC000042425009 132351732 /nfs/dbraw/zinc/35/17/32/132351732.db2.gz MXTQDPDOCZXMQQ-ZDUSSCGKSA-N 0 0 245.326 2.349 10 30 BEEERN C[C@H]1COCCN1c1cccc(Cl)c1C#N ZINC000047848153 132355262 /nfs/dbraw/zinc/35/52/62/132355262.db2.gz RRIQVUKXHKNBDH-VIFPVBQESA-N 0 0 236.702 2.437 10 30 BEEERN C[C@@H](CC#N)N1CCN(c2ccccc2)CC1 ZINC000048208915 132355344 /nfs/dbraw/zinc/35/53/44/132355344.db2.gz NYYYHDMAXADDDL-ZDUSSCGKSA-N 0 0 229.327 2.111 10 30 BEEERN O=C[C@@]1(CN2CCCc3ccccc32)CCOC1 ZINC000051175966 132359809 /nfs/dbraw/zinc/35/98/09/132359809.db2.gz KUNVRVZLRNVIBE-HNNXBMFYSA-N 0 0 245.322 2.045 10 30 BEEERN O=C[C@H]1CCCCN1c1nncc2ccccc21 ZINC000054268323 132363890 /nfs/dbraw/zinc/36/38/90/132363890.db2.gz XGHLMBOPZWHDBY-GFCCVEGCSA-N 0 0 241.294 2.188 10 30 BEEERN C[C@@H]1[C@@H](C)CCCN1c1ccc(/C(N)=N/O)cc1 ZINC000060117363 132368793 /nfs/dbraw/zinc/36/87/93/132368793.db2.gz PLVQBHNDICOVQZ-WDEREUQCSA-N 0 0 247.342 2.406 10 30 BEEERN C[C@H](C#N)CNc1ccc(N2CCOCC2)cc1 ZINC000060533112 132368840 /nfs/dbraw/zinc/36/88/40/132368840.db2.gz DENIUZVLFVDAED-GFCCVEGCSA-N 0 0 245.326 2.095 10 30 BEEERN Cc1cc(N2C[C@H]3CCC[C@@H]32)c(C#N)cn1 ZINC000335094078 133762695 /nfs/dbraw/zinc/76/26/95/133762695.db2.gz NKHCQGZTLYYADG-PWSUYJOCSA-N 0 0 213.284 2.250 10 30 BEEERN Cc1cc(N2C[C@H]3CCC[C@H]32)c(C#N)cn1 ZINC000335094080 133762905 /nfs/dbraw/zinc/76/29/05/133762905.db2.gz NKHCQGZTLYYADG-ZYHUDNBSSA-N 0 0 213.284 2.250 10 30 BEEERN CN(C(=O)N[C@@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000335476696 133880229 /nfs/dbraw/zinc/88/02/29/133880229.db2.gz YQXGCRXYEQLOKW-ZYHUDNBSSA-N 0 0 235.331 2.263 10 30 BEEERN C[C@@H](C#N)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000335826657 133930367 /nfs/dbraw/zinc/93/03/67/133930367.db2.gz QJZQFTPCICHTSE-SWLSCSKDSA-N 0 0 242.322 2.420 10 30 BEEERN CCN(C)C(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000335890816 133950159 /nfs/dbraw/zinc/95/01/59/133950159.db2.gz QMOYQAKVSFDNAY-JQWIXIFHSA-N 0 0 223.320 2.120 10 30 BEEERN C[C@H](C#N)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000336005651 134048962 /nfs/dbraw/zinc/04/89/62/134048962.db2.gz HHCHCMYUNKYDMJ-DOMZBBRYSA-N 0 0 242.322 2.368 10 30 BEEERN Cc1oc(C#N)cc1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000336155357 134105660 /nfs/dbraw/zinc/10/56/60/134105660.db2.gz BABFJAYCOCLPEP-SKDRFNHKSA-N 0 0 230.267 2.084 10 30 BEEERN C=C[C@@H](C)c1noc([C@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC000333648030 134120321 /nfs/dbraw/zinc/12/03/21/134120321.db2.gz JJBDRQCNLQMGSO-RGOKHQFPSA-N 0 0 232.283 2.442 10 30 BEEERN N#Cc1ccc(N[C@H]2CCc3ccccc32)nn1 ZINC000301867518 134156842 /nfs/dbraw/zinc/15/68/42/134156842.db2.gz BWMFHHKPAHFNSO-ZDUSSCGKSA-N 0 0 236.278 2.448 10 30 BEEERN C=CCNC(=O)[C@H](C)N1CCC[C@@H]1c1ccco1 ZINC000116292596 134216996 /nfs/dbraw/zinc/21/69/96/134216996.db2.gz UFLAGPSKIUEBKV-NWDGAFQWSA-N 0 0 248.326 2.107 10 30 BEEERN C=CCNC(=O)N1CCC[C@@H](CC)CC1 ZINC000117466987 134220997 /nfs/dbraw/zinc/22/09/97/134220997.db2.gz MPPRDQUQWZGVEK-LLVKDONJSA-N 0 0 210.321 2.394 10 30 BEEERN C=CCNC(=O)Cc1cnc2ccccc2c1 ZINC000118757624 134223459 /nfs/dbraw/zinc/22/34/59/134223459.db2.gz UEDDFPQMEDHNNA-UHFFFAOYSA-N 0 0 226.279 2.080 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@@H](C)C1CCOCC1 ZINC000119111600 134224987 /nfs/dbraw/zinc/22/49/87/134224987.db2.gz CZNYBPWZGXCMAJ-LBPRGKRZSA-N 0 0 239.359 2.474 10 30 BEEERN N#CC1(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000121002003 134231063 /nfs/dbraw/zinc/23/10/63/134231063.db2.gz NQTJRHXIPNSHQG-RYUDHWBXSA-N 0 0 232.327 2.375 10 30 BEEERN C=C(C)COCCNC(=O)NC(C)(CC)CC ZINC000121354477 134233106 /nfs/dbraw/zinc/23/31/06/134233106.db2.gz JWUJKCHOBYNBSK-UHFFFAOYSA-N 0 0 242.363 2.457 10 30 BEEERN C=CCN1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121388761 134233833 /nfs/dbraw/zinc/23/38/33/134233833.db2.gz KCIGKUBKQNZHET-NSHDSACASA-N 0 0 225.332 2.369 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)N(CC#N)c2ccccc2)O1 ZINC000177694478 134301215 /nfs/dbraw/zinc/30/12/15/134301215.db2.gz DUDZMUPJPSPAEM-DGCLKSJQSA-N 0 0 244.294 2.111 10 30 BEEERN C[C@H](NCC#N)c1cccc(-n2ccnc2)c1 ZINC000180649197 134330692 /nfs/dbraw/zinc/33/06/92/134330692.db2.gz GUQQGIVVSJRQQO-NSHDSACASA-N 0 0 226.283 2.046 10 30 BEEERN C[C@H](C#N)N1CC[C@H](Nc2ccccc2)C1 ZINC000182145642 134342486 /nfs/dbraw/zinc/34/24/86/134342486.db2.gz IZERWNCBOGZRRI-YPMHNXCESA-N 0 0 215.300 2.085 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)o1 ZINC000225121496 134351222 /nfs/dbraw/zinc/35/12/22/134351222.db2.gz KHEUUJMZDIPGSQ-HTQZYQBOSA-N 0 0 238.674 2.355 10 30 BEEERN C[C@@H](C#N)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183367252 134351262 /nfs/dbraw/zinc/35/12/62/134351262.db2.gz NEYNHKPCJZXCHB-GWCFXTLKSA-N 0 0 234.274 2.191 10 30 BEEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)ccc1O ZINC000227038019 134373537 /nfs/dbraw/zinc/37/35/37/134373537.db2.gz DVFQYIMLYKGQOS-RYUDHWBXSA-N 0 0 244.294 2.123 10 30 BEEERN C[C@@H](C#N)N1CCCc2ccccc2C1 ZINC000062944628 134395015 /nfs/dbraw/zinc/39/50/15/134395015.db2.gz UMZFRZAOCCRHIX-NSHDSACASA-N 0 0 200.285 2.347 10 30 BEEERN C[C@H](C#N)N1CCCc2ccccc2C1 ZINC000062944629 134395095 /nfs/dbraw/zinc/39/50/95/134395095.db2.gz UMZFRZAOCCRHIX-LLVKDONJSA-N 0 0 200.285 2.347 10 30 BEEERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 ZINC000076033695 134407193 /nfs/dbraw/zinc/40/71/93/134407193.db2.gz BHSODCUVRAKAOR-CABZTGNLSA-N 0 0 229.283 2.283 10 30 BEEERN N#CCCCCN1NC(=O)CC12CCCCC2 ZINC000408199169 134475433 /nfs/dbraw/zinc/47/54/33/134475433.db2.gz QLAXYTXXKZNIER-UHFFFAOYSA-N 0 0 235.331 2.120 10 30 BEEERN C[C@H]1CCC[C@H]1C(=O)N1CCC(C#N)CC1 ZINC000230170987 134486101 /nfs/dbraw/zinc/48/61/01/134486101.db2.gz MZRRKMJYXDQGBK-CMPLNLGQSA-N 0 0 220.316 2.185 10 30 BEEERN C=CCNC(=O)c1cc(CC)c(CC)o1 ZINC000131478479 134630636 /nfs/dbraw/zinc/63/06/36/134630636.db2.gz CFSBWKFOXRJSLK-UHFFFAOYSA-N 0 0 207.273 2.320 10 30 BEEERN C[C@@]1(F)CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000408255431 134645799 /nfs/dbraw/zinc/64/57/99/134645799.db2.gz INAMGLPYOLMDHG-GFCCVEGCSA-N 0 0 249.245 2.405 10 30 BEEERN C=CCC[C@H](O)CN(CCCO)c1ccccc1 ZINC000134148413 134703172 /nfs/dbraw/zinc/70/31/72/134703172.db2.gz UOTFVFYSWXODTA-HNNXBMFYSA-N 0 0 249.354 2.203 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1 ZINC000061889229 134804226 /nfs/dbraw/zinc/80/42/26/134804226.db2.gz JNSQQXSAALXRDN-CMPLNLGQSA-N 0 0 232.258 2.248 10 30 BEEERN C=CCNC(=O)N(CCC)C[C@H]1CCCCO1 ZINC000106511644 134913856 /nfs/dbraw/zinc/91/38/56/134913856.db2.gz FADOAADQOGLPSS-GFCCVEGCSA-N 0 0 240.347 2.163 10 30 BEEERN C[C@@H](C#N)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000248466691 135012254 /nfs/dbraw/zinc/01/22/54/135012254.db2.gz SJJPVIKONPXQIS-WFASDCNBSA-N 0 0 242.322 2.072 10 30 BEEERN CCCO[C@H]1CCCN([C@H](C)C#N)CC1 ZINC000248478841 135013394 /nfs/dbraw/zinc/01/33/94/135013394.db2.gz ZLDDSOIEOGSKRP-NEPJUHHUSA-N 0 0 210.321 2.180 10 30 BEEERN CCCO[C@@H]1CCCN([C@H](C)C#N)CC1 ZINC000248478842 135013611 /nfs/dbraw/zinc/01/36/11/135013611.db2.gz ZLDDSOIEOGSKRP-VXGBXAGGSA-N 0 0 210.321 2.180 10 30 BEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000248620924 135016554 /nfs/dbraw/zinc/01/65/54/135016554.db2.gz LLAXKZNIOWNHDR-SDDRHHMPSA-N 0 0 225.332 2.272 10 30 BEEERN Cc1ncsc1CN[C@H]1CCC[C@@H]1C#N ZINC000084149405 135188488 /nfs/dbraw/zinc/18/84/88/135188488.db2.gz KZDZBNVLPFWMDW-ZJUUUORDSA-N 0 0 221.329 2.233 10 30 BEEERN CCOc1cc(C(=O)N[C@H](C#N)CC)ccc1C ZINC000113162449 135229519 /nfs/dbraw/zinc/22/95/19/135229519.db2.gz DQLLVEAIESFAKF-LBPRGKRZSA-N 0 0 246.310 2.426 10 30 BEEERN C=CCCS(=O)(=O)N1CCC12CCCCC2 ZINC000366770448 135257462 /nfs/dbraw/zinc/25/74/62/135257462.db2.gz DFRLTJGTCXIWOJ-UHFFFAOYSA-N 0 0 243.372 2.301 10 30 BEEERN N#CCCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000272504537 135366197 /nfs/dbraw/zinc/36/61/97/135366197.db2.gz WDEQYGJHEJAZNZ-UHFFFAOYSA-N 0 0 222.263 2.315 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ncccc1Cl ZINC000334465875 135421952 /nfs/dbraw/zinc/42/19/52/135421952.db2.gz CWFNNARUMMUINR-WCBMZHEXSA-N 0 0 249.701 2.157 10 30 BEEERN C#CCN(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000191119754 135500383 /nfs/dbraw/zinc/50/03/83/135500383.db2.gz ZJGVUBGPBRYCBX-QWRGUYRKSA-N 0 0 249.260 2.160 10 30 BEEERN C[C@H](O)[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000087127543 135501660 /nfs/dbraw/zinc/50/16/60/135501660.db2.gz YYKXWZKVXXTWDM-YUMQZZPRSA-N 0 0 224.691 2.393 10 30 BEEERN C#CCNC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182412287 135523307 /nfs/dbraw/zinc/52/33/07/135523307.db2.gz XPQUIPNDAJSARD-BXUZGUMPSA-N 0 0 242.322 2.161 10 30 BEEERN C=C[C@@](C)(CC)C(=O)NCCc1ccc[nH]1 ZINC000135156263 135552629 /nfs/dbraw/zinc/55/26/29/135552629.db2.gz QNIQNJZBTWDOOK-ZDUSSCGKSA-N 0 0 220.316 2.276 10 30 BEEERN CC1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000091973405 135568161 /nfs/dbraw/zinc/56/81/61/135568161.db2.gz WJEJUGUMIWCMTR-NEPJUHHUSA-N 0 0 235.331 2.120 10 30 BEEERN Cc1c(CNc2ccccc2C#N)cnn1C ZINC000093649222 135603782 /nfs/dbraw/zinc/60/37/82/135603782.db2.gz ILLPAERLBFVUIP-UHFFFAOYSA-N 0 0 226.283 2.212 10 30 BEEERN C=CCN[C@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000051961133 397735926 /nfs/dbraw/zinc/73/59/26/397735926.db2.gz GIBOFTKKRCBGCO-NSHDSACASA-N 0 0 239.702 2.330 10 30 BEEERN C=C[C@H](C)Oc1nnc(Br)s1 ZINC000575462128 397943259 /nfs/dbraw/zinc/94/32/59/397943259.db2.gz OLCWLRPTHVBRBR-BYPYZUCNSA-N 0 0 235.106 2.254 10 30 BEEERN COc1ccc([C@@H](C#N)C(C)=O)c(C)c1OC ZINC000584594514 398077054 /nfs/dbraw/zinc/07/70/54/398077054.db2.gz JJIXNEXMWNJDPR-NSHDSACASA-N 0 0 233.267 2.208 10 30 BEEERN Cc1cc(C=O)cc(OC(F)F)c1CC#N ZINC000575661480 398054833 /nfs/dbraw/zinc/05/48/33/398054833.db2.gz KZNLNGUKYUWHAB-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN C[C@H]1CCN(C(=O)C(C)(C)C#N)[C@@H](C)C1 ZINC000051733801 177144910 /nfs/dbraw/zinc/14/49/10/177144910.db2.gz UNRVPMBQTQECQT-UWVGGRQHSA-N 0 0 208.305 2.183 10 30 BEEERN C#CCN[C@@H](C(=O)OCC)c1cc(C)cc(C)c1 ZINC000051965621 166190650 /nfs/dbraw/zinc/19/06/50/166190650.db2.gz GPBLAUBJGITDNE-CQSZACIVSA-N 0 0 245.322 2.130 10 30 BEEERN C#CCN[C@@H](C(=O)OCC)c1ccccc1CC ZINC000052204632 166191263 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COc1cc([C@@H](C)C=O)cc(OC)c1OC ZINC000078069208 175013360 /nfs/dbraw/zinc/01/33/60/175013360.db2.gz SISUVRHVXSJNLJ-QMMMGPOBSA-N 0 0 224.256 2.015 10 30 BEEERN COc1cc([C@H](C)C=O)cc(OC)c1OC ZINC000078069210 175015043 /nfs/dbraw/zinc/01/50/43/175015043.db2.gz SISUVRHVXSJNLJ-MRVPVSSYSA-N 0 0 224.256 2.015 10 30 BEEERN COc1ccc(-c2cc(C#N)no2)cc1OC ZINC000032015877 175030791 /nfs/dbraw/zinc/03/07/91/175030791.db2.gz JRXXBESJPWTYJZ-UHFFFAOYSA-N 0 0 230.223 2.230 10 30 BEEERN COc1ccc(-c2ccc(C#N)cn2)cc1C=O ZINC000098180798 175032559 /nfs/dbraw/zinc/03/25/59/175032559.db2.gz VELUMIDYMKMRTD-UHFFFAOYSA-N 0 0 238.246 2.441 10 30 BEEERN COc1ccc(/C(N)=N/O)c(Cl)c1Cl ZINC000083256589 175046138 /nfs/dbraw/zinc/04/61/38/175046138.db2.gz YAHKGQODAOGZJG-UHFFFAOYSA-N 0 0 235.070 2.097 10 30 BEEERN COc1ccc(C(=O)[C@@H](C)CC#N)c(OC)c1 ZINC000048259076 175065174 /nfs/dbraw/zinc/06/51/74/175065174.db2.gz ZNTZJESSIVJACY-VIFPVBQESA-N 0 0 233.267 2.436 10 30 BEEERN COc1ccc(C2=C(C)C(=O)CC2)cn1 ZINC000040980878 175084559 /nfs/dbraw/zinc/08/45/59/175084559.db2.gz LPVKUVZPZNDLSQ-UHFFFAOYSA-N 0 0 203.241 2.227 10 30 BEEERN COc1ccc(COCC[C@@H]2CO2)cc1 ZINC000034579227 175113453 /nfs/dbraw/zinc/11/34/53/175113453.db2.gz ZOTQIPMMMCLNGW-GFCCVEGCSA-N 0 0 208.257 2.001 10 30 BEEERN COc1ccc(N)cc1Oc1ccc(C#N)cn1 ZINC000036667272 175138442 /nfs/dbraw/zinc/13/84/42/175138442.db2.gz JDFUMTANJQHUTO-UHFFFAOYSA-N 0 0 241.250 2.336 10 30 BEEERN COc1ccc(NCCCC#N)cc1OC ZINC000020045767 175150420 /nfs/dbraw/zinc/15/04/20/175150420.db2.gz GBSUTLVQZIGZHK-UHFFFAOYSA-N 0 0 220.272 2.419 10 30 BEEERN COc1ccc(N[C@@H](C)C#N)cc1OC ZINC000043514217 175153221 /nfs/dbraw/zinc/15/32/21/175153221.db2.gz JFKLGKCZCBBYKE-QMMMGPOBSA-N 0 0 206.245 2.028 10 30 BEEERN COc1ccc(N[C@H](C#N)[C@H]2CCOC2)cc1 ZINC000037936511 175154614 /nfs/dbraw/zinc/15/46/14/175154614.db2.gz IGLRQQPXTNRIQM-GXFFZTMASA-N 0 0 232.283 2.036 10 30 BEEERN COc1ccc(OC)c(C(=O)CCC#N)c1 ZINC000036275876 175164271 /nfs/dbraw/zinc/16/42/71/175164271.db2.gz WVFIMTFZZZHHFT-UHFFFAOYSA-N 0 0 219.240 2.190 10 30 BEEERN COc1ccc(OC)c([C@@H](C#N)NC2CC2)c1 ZINC000020175856 175167264 /nfs/dbraw/zinc/16/72/64/175167264.db2.gz HRHPKEUOEKNDBV-GFCCVEGCSA-N 0 0 232.283 2.020 10 30 BEEERN COc1ccc(OC)c([C@@H](C#N)N2CCCC2)c1 ZINC000019934730 175167397 /nfs/dbraw/zinc/16/73/97/175167397.db2.gz JWHYVQHOJHUHDA-CYBMUJFWSA-N 0 0 246.310 2.364 10 30 BEEERN COc1ccc(OC)c([C@@H](C#N)NCC2CC2)c1 ZINC000037946910 175167512 /nfs/dbraw/zinc/16/75/12/175167512.db2.gz QWAIYIMBXIZZRZ-CYBMUJFWSA-N 0 0 246.310 2.268 10 30 BEEERN COc1ccc(OC)c2sc(C#N)nc21 ZINC000034431693 175171229 /nfs/dbraw/zinc/17/12/29/175171229.db2.gz OMHSOZYAMFBETA-UHFFFAOYSA-N 0 0 220.253 2.185 10 30 BEEERN COc1ccc([C@@](C)(N)C#N)cc1Cl ZINC000057496397 175186000 /nfs/dbraw/zinc/18/60/00/175186000.db2.gz HNWIQUYDBWZDNQ-JTQLQIEISA-N 0 0 210.664 2.046 10 30 BEEERN COc1ccc2c(c1OC)C(=O)C=C(C)C2=O ZINC000013335081 175222074 /nfs/dbraw/zinc/22/20/74/175222074.db2.gz WWNCTTVHGRAEPT-UHFFFAOYSA-N 0 0 232.235 2.029 10 30 BEEERN COc1cccc(C2(C#N)CCC(O)CC2)c1 ZINC000039214155 175248010 /nfs/dbraw/zinc/24/80/10/175248010.db2.gz YLCKELNRFGUVPF-UHFFFAOYSA-N 0 0 231.295 2.391 10 30 BEEERN COc1cccc([C@@H](C#N)NC2CC2)c1OC ZINC000020176888 175285909 /nfs/dbraw/zinc/28/59/09/175285909.db2.gz KYFDQYSEUPVCTF-LLVKDONJSA-N 0 0 232.283 2.020 10 30 BEEERN COc1cccc([C@H](C#N)NCC2CC2)c1OC ZINC000037946882 175291320 /nfs/dbraw/zinc/29/13/20/175291320.db2.gz ARAFQJWCEPRUGU-LBPRGKRZSA-N 0 0 246.310 2.268 10 30 BEEERN COc1cccc([C@H](C#N)NC(C)C)c1 ZINC000020173259 175291719 /nfs/dbraw/zinc/29/17/19/175291719.db2.gz BMQVUJFFQPQCQD-LBPRGKRZSA-N 0 0 204.273 2.258 10 30 BEEERN C[C@@H](C#N)CSc1nnc2n1CCCCC2 ZINC000036984863 175597199 /nfs/dbraw/zinc/59/71/99/175597199.db2.gz QOPMDPUQOLLYPA-VIFPVBQESA-N 0 0 236.344 2.256 10 30 BEEERN C[C@@H](Oc1nccnc1C#N)c1ccccc1 ZINC000054379583 176006359 /nfs/dbraw/zinc/00/63/59/176006359.db2.gz JMFSLPMXPQLYOK-SNVBAGLBSA-N 0 0 225.251 2.488 10 30 BEEERN C[C@@H]1CC(C)(C)C[C@@](C#N)(NCCCO)C1 ZINC000053708779 176051917 /nfs/dbraw/zinc/05/19/17/176051917.db2.gz KXLCVYGJLKIMRG-YPMHNXCESA-N 0 0 224.348 2.067 10 30 BEEERN C[C@@H]1CCCN1c1ccc(N)cc1C#N ZINC000041021198 176111319 /nfs/dbraw/zinc/11/13/19/176111319.db2.gz NCIOLZBITAHEMF-SECBINFHSA-N 0 0 201.273 2.129 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(C#N)c2)O1 ZINC000122243227 176221360 /nfs/dbraw/zinc/22/13/60/176221360.db2.gz AZEWBGWDEFMXOZ-BXKDBHETSA-N 0 0 230.267 2.064 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1Cc1ccc(C#N)cc1 ZINC000120881202 176346946 /nfs/dbraw/zinc/34/69/46/176346946.db2.gz KNSJAUDCGSPYKR-VXGBXAGGSA-N 0 0 230.311 2.167 10 30 BEEERN C[C@@]1(c2ccc3c(c2)OCCCO3)CO1 ZINC000036157888 176546920 /nfs/dbraw/zinc/54/69/20/176546920.db2.gz UARFCEMAVIBFFF-LBPRGKRZSA-N 0 0 206.241 2.093 10 30 BEEERN C[C@H](Nc1ncc(N)cc1C#N)c1ccccn1 ZINC000037759095 176939344 /nfs/dbraw/zinc/93/93/44/176939344.db2.gz FEAYULKWRPHVMO-VIFPVBQESA-N 0 0 239.282 2.104 10 30 BEEERN C[C@@H](C#N)CN(C)c1ccc([C@H](C)O)cc1F ZINC000103923265 177017576 /nfs/dbraw/zinc/01/75/76/177017576.db2.gz LVLFXTSAFULELE-UWVGGRQHSA-N 0 0 236.290 2.475 10 30 BEEERN C[C@H](c1ccccc1)[C@@H](C#N)N1CCOCC1 ZINC000041086170 177039942 /nfs/dbraw/zinc/03/99/42/177039942.db2.gz ZEOABPCZEHVKPR-TZMCWYRMSA-N 0 0 230.311 2.014 10 30 BEEERN C[C@H]1CN=C(Nc2ccc(Cl)cn2)S1 ZINC000020354402 177279118 /nfs/dbraw/zinc/27/91/18/177279118.db2.gz SFTSJXHHDYYIAK-LURJTMIESA-N 0 0 227.720 2.447 10 30 BEEERN C[C@H]1C[C@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000075981706 177383707 /nfs/dbraw/zinc/38/37/07/177383707.db2.gz WFQLXBYHWUBWAG-GXFFZTMASA-N 0 0 243.310 2.108 10 30 BEEERN C[C@H]1C[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000052291315 177386393 /nfs/dbraw/zinc/38/63/93/177386393.db2.gz FINOBUIHPPDDDL-OIBJUYFYSA-N 0 0 217.228 2.287 10 30 BEEERN Cc1c(C#N)c(Cl)nc(Cl)c1C#N ZINC000038917204 177556375 /nfs/dbraw/zinc/55/63/75/177556375.db2.gz UQIRWMYHOMSYGS-UHFFFAOYSA-N 0 0 212.039 2.440 10 30 BEEERN Cc1c(C)n([C@@H](C)[C@@H]2CCCO2)c(N)c1C#N ZINC000035736482 177556850 /nfs/dbraw/zinc/55/68/50/177556850.db2.gz BDXPYDDIAVFGKE-JQWIXIFHSA-N 0 0 233.315 2.299 10 30 BEEERN Cc1c(N)cccc1N(C)C[C@@H](C)C#N ZINC000062725076 177614112 /nfs/dbraw/zinc/61/41/12/177614112.db2.gz CTWIGZUHAYMBMT-VIFPVBQESA-N 0 0 203.289 2.173 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250083530 487657636 /nfs/dbraw/zinc/65/76/36/487657636.db2.gz UYXZUZMWKJFXNJ-ZSBIGDGJSA-N 0 0 207.317 2.457 10 30 BEEERN C#C[C@H](CC)Nc1nc(C)nc(C)c1F ZINC000309214601 262721165 /nfs/dbraw/zinc/72/11/65/262721165.db2.gz UEDVMPDTDJJSMR-SECBINFHSA-N 0 0 207.252 2.056 10 30 BEEERN CC(C)(C)C(=O)[C@H](C#N)c1ccncc1 ZINC000087618571 487672788 /nfs/dbraw/zinc/67/27/88/487672788.db2.gz PTGXVZNDPCLSRZ-SNVBAGLBSA-N 0 0 202.257 2.304 10 30 BEEERN N#Cc1ccc(C(=O)NCCC2CCCC2)nc1 ZINC000111275957 264842927 /nfs/dbraw/zinc/84/29/27/264842927.db2.gz SZCKAIHRVPENKH-UHFFFAOYSA-N 0 0 243.310 2.263 10 30 BEEERN Cc1cc(C#N)cc(N2CCS[C@@H](C)C2)n1 ZINC000161129536 267303685 /nfs/dbraw/zinc/30/36/85/267303685.db2.gz HCZDLZVPQZOJCO-JTQLQIEISA-N 0 0 233.340 2.203 10 30 BEEERN CCN(C[C@@H](C)C#N)C(=O)C1CC(C)C1 ZINC000531000890 322959606 /nfs/dbraw/zinc/95/96/06/322959606.db2.gz IGFDNKCZVMUOKQ-YVNMAJEFSA-N 0 0 208.305 2.041 10 30 BEEERN CCOC(=O)C[C@H](C#N)c1ccccc1 ZINC000037624963 323107907 /nfs/dbraw/zinc/10/79/07/323107907.db2.gz HJKJXWMIISKYGB-LLVKDONJSA-N 0 0 203.241 2.247 10 30 BEEERN C=C[C@](C)(CC)C(=O)NCc1cscn1 ZINC000134995813 323178175 /nfs/dbraw/zinc/17/81/75/323178175.db2.gz GLUGHYJPEYDILK-LLVKDONJSA-N 0 0 224.329 2.362 10 30 BEEERN C=C1CC(S(=O)(=O)c2ccccc2)C1 ZINC000536952050 323957381 /nfs/dbraw/zinc/95/73/81/323957381.db2.gz BBPQZLZLJKDISO-UHFFFAOYSA-N 0 0 208.282 2.179 10 30 BEEERN C#C[C@H](CCC)NC(=O)[C@H]1CCC[C@@H]1C ZINC000233357179 324209919 /nfs/dbraw/zinc/20/99/19/324209919.db2.gz FGAAWHMNIUXYLO-TUAOUCFPSA-N 0 0 207.317 2.341 10 30 BEEERN CSCCCCNC(=O)c1cccc(C#N)c1 ZINC000125802903 324656230 /nfs/dbraw/zinc/65/62/30/324656230.db2.gz XAZJSKYJCCGZBB-UHFFFAOYSA-N 0 0 248.351 2.431 10 30 BEEERN C=CCNC(=O)c1ccccc1OCCOCC ZINC000131602012 325169200 /nfs/dbraw/zinc/16/92/00/325169200.db2.gz HJAPKDSPXRCQDE-UHFFFAOYSA-N 0 0 249.310 2.018 10 30 BEEERN C=CCCC(=O)Nc1c(C)onc1CC ZINC000132579831 325226411 /nfs/dbraw/zinc/22/64/11/325226411.db2.gz LCTXCOSMRJPUKZ-UHFFFAOYSA-N 0 0 208.261 2.450 10 30 BEEERN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000135096779 325392793 /nfs/dbraw/zinc/39/27/93/325392793.db2.gz RJDDXTVQYBADKT-SGMGOOAPSA-N 0 0 239.359 2.256 10 30 BEEERN C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000269763475 326211823 /nfs/dbraw/zinc/21/18/23/326211823.db2.gz FNKJZOMNUZJHLX-JFGNBEQYSA-N 0 0 245.326 2.441 10 30 BEEERN O=c1cc(N=Cc2ccccc2)[nH]c(=S)[nH]1 ZINC000584639573 490181831 /nfs/dbraw/zinc/18/18/31/490181831.db2.gz HTWHKEPIYNDLDE-KPKJPENVSA-N 0 0 231.280 2.222 10 30 BEEERN CC(C)(O)C#Cc1ncccc1C(F)(F)F ZINC000585143990 491126476 /nfs/dbraw/zinc/12/64/76/491126476.db2.gz XMEDNRCLUZDSAI-UHFFFAOYSA-N 0 0 229.201 2.223 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@]1(C)CC1CCC1 ZINC000234588429 582460224 /nfs/dbraw/zinc/46/02/24/582460224.db2.gz VFGYJOBMINYDDE-NXEZZACHSA-N 0 0 218.680 2.074 10 30 BEEERN CN1CCc2cc(NCCC#N)ccc21 ZINC000757133018 582509139 /nfs/dbraw/zinc/50/91/39/582509139.db2.gz SLFWUBLGCOLAQR-UHFFFAOYSA-N 0 0 201.273 2.004 10 30 BEEERN CCCCCCCCCS(N)(=O)=O ZINC000100312794 582535374 /nfs/dbraw/zinc/53/53/74/582535374.db2.gz NLWIMJPEFDUCJU-UHFFFAOYSA-N 0 0 207.339 2.026 10 30 BEEERN O=C1Nc2cc(Br)ccc2[C@@H]1S ZINC000757164950 582546336 /nfs/dbraw/zinc/54/63/36/582546336.db2.gz JWOHRQFCQAQWKP-ZETCQYMHSA-N 0 0 244.113 2.372 10 30 BEEERN Cc1cccc(Cc2noc(CC#N)n2)c1 ZINC000073641217 518190461 /nfs/dbraw/zinc/19/04/61/518190461.db2.gz AEEQLKIGBSUBCX-UHFFFAOYSA-N 0 0 213.240 2.035 10 30 BEEERN C=CCn1c2ccccc2n(C)/c1=N/C(=O)CC ZINC000012341512 519264679 /nfs/dbraw/zinc/26/46/79/519264679.db2.gz RVASKQNPOYDANL-PFONDFGASA-N 0 0 243.310 2.003 10 30 BEEERN C=C[C@H](OC(C)=O)c1ccc(OC)cc1 ZINC000002000867 519300887 /nfs/dbraw/zinc/30/08/87/519300887.db2.gz VGSCGPYUCPWRQY-LBPRGKRZSA-N 0 0 206.241 2.485 10 30 BEEERN C=C(Cl)CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248818418 534442079 /nfs/dbraw/zinc/44/20/79/534442079.db2.gz IVMGXPZBCWBTMK-AXFHLTTASA-N 0 0 243.734 2.012 10 30 BEEERN CC1=CC(=O)C[C@@H](C)[C@H]1C(=O)OC(C)C ZINC000117783239 520849116 /nfs/dbraw/zinc/84/91/16/520849116.db2.gz TWLBIJCLHLNTLZ-KOLCDFICSA-N 0 0 210.273 2.109 10 30 BEEERN C=CCCCN(C)C(=O)NOCC(C)C ZINC000128396606 534701501 /nfs/dbraw/zinc/70/15/01/534701501.db2.gz JVYWFJHNQUYMIJ-UHFFFAOYSA-N 0 0 214.309 2.182 10 30 BEEERN C=CCCCN(C)Cc1nnc(C(C)C)n1C ZINC000121037246 534708854 /nfs/dbraw/zinc/70/88/54/534708854.db2.gz JNKDCVYXJVLNPX-UHFFFAOYSA-N 0 0 236.363 2.337 10 30 BEEERN C=CCCCN(C)c1nnc(C)c(C)c1C#N ZINC000134880429 534715958 /nfs/dbraw/zinc/71/59/58/534715958.db2.gz LYNGVHCDQISMQC-UHFFFAOYSA-N 0 0 230.315 2.368 10 30 BEEERN 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/nfs/dbraw/zinc/50/06/53/711500653.db2.gz JHPBZNVNEMVTNU-UHFFFAOYSA-N 0 0 237.328 2.160 10 30 BEEERN C#CC[C@@H](OC(=O)Cc1ccoc1)C1CC1 ZINC000126751468 711775190 /nfs/dbraw/zinc/77/51/90/711775190.db2.gz UNNTULMGPNHXIL-GFCCVEGCSA-N 0 0 218.252 2.167 10 30 BEEERN C=CCOC(=O)CCc1nc(C(C)(C)C)no1 ZINC000130269837 711861898 /nfs/dbraw/zinc/86/18/98/711861898.db2.gz MDPRAPZLJOQFKL-UHFFFAOYSA-N 0 0 238.287 2.029 10 30 BEEERN CCCCCCCCC(=O)[C@H](C#N)C(=O)NC ZINC000133373440 711981099 /nfs/dbraw/zinc/98/10/99/711981099.db2.gz ZWSORWZDHUUWDH-NSHDSACASA-N 0 0 238.331 2.192 10 30 BEEERN CSC1CC(NC(=O)c2cccc(C#N)c2)C1 ZINC000707297338 712169363 /nfs/dbraw/zinc/16/93/63/712169363.db2.gz JSTMWXZIJGZFMA-UHFFFAOYSA-N 0 0 246.335 2.182 10 30 BEEERN CC1(C(=O)N[C@H]2CCC[C@@H]2C#N)CC(F)(F)C1 ZINC000720440678 712843600 /nfs/dbraw/zinc/84/36/00/712843600.db2.gz APFIQJGOXYPTPJ-BDAKNGLRSA-N 0 0 242.269 2.230 10 30 BEEERN C=CCNC(=O)Cn1ccc2ccc(F)cc21 ZINC000128713761 1165788611 /nfs/dbraw/zinc/78/86/11/1165788611.db2.gz DOPKLPLCKMZWPI-UHFFFAOYSA-N 0 0 232.258 2.083 10 30 BEEERN COc1ccccc1COC(=O)[C@@H](C)CC#N ZINC000049822737 1165879929 /nfs/dbraw/zinc/87/99/29/1165879929.db2.gz TWYBCAMHUYESLH-JTQLQIEISA-N 0 0 233.267 2.288 10 30 BEEERN C#CCN(CC)C(=O)c1ccc(Cl)cc1N ZINC000129864114 1167221204 /nfs/dbraw/zinc/22/12/04/1167221204.db2.gz ZSLALBCTTSNDEU-UHFFFAOYSA-N 0 0 236.702 2.018 10 30 BEEERN C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000695693021 976801544 /nfs/dbraw/zinc/80/15/44/976801544.db2.gz XSZYBSAGVKNFEM-RYUDHWBXSA-N 0 0 238.331 2.255 10 30 BEEERN CC[C@@H](C#N)OC(=O)/C=C\c1ncccc1C ZINC000588456682 958589051 /nfs/dbraw/zinc/58/90/51/958589051.db2.gz SPVCRWJTQDFMHO-ZADCQDASSA-N 0 0 230.267 2.249 10 30 BEEERN C=CCN(C)C(=O)c1cccc(Cl)c1N ZINC000131026234 962244135 /nfs/dbraw/zinc/24/41/35/962244135.db2.gz SZQLCQCXZVFARY-UHFFFAOYSA-N 0 0 224.691 2.180 10 30 BEEERN C[C@H](CC#N)N(C)Cc1csc(C(=O)[O-])c1 ZINC000689077820 976205964 /nfs/dbraw/zinc/20/59/64/976205964.db2.gz MRKXFHSKKZRKMZ-MRVPVSSYSA-N 0 0 238.312 2.180 10 30 BEEERN C=CC(C)(C)CC[NH2+][C@H](C(=O)[O-])C1CC1 ZINC000701882257 977051718 /nfs/dbraw/zinc/05/17/18/977051718.db2.gz CVXXMPHIGCEFHX-JTQLQIEISA-N 0 0 211.305 2.042 10 30 BEEERN C#C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000702278142 977074711 /nfs/dbraw/zinc/07/47/11/977074711.db2.gz VRNCWNHSAPUZPQ-LLVKDONJSA-N 0 0 235.283 2.115 10 30 BEEERN C#C[C@@H]([NH2+][C@H](CCCC)C(=O)[O-])C(C)(C)C ZINC000702275255 977075611 /nfs/dbraw/zinc/07/56/11/977075611.db2.gz JCBBWFKPAXKOPK-GHMZBOCLSA-N 0 0 225.332 2.267 10 30 BEEERN C=CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000704853984 977265392 /nfs/dbraw/zinc/26/53/92/977265392.db2.gz PWZOLHZMVQLZNF-DCAQKATOSA-N 0 0 211.305 2.184 10 30 BEEERN C#C[C@H]([NH2+]CCC(C)(C)C(=O)[O-])C(C)(C)C ZINC000705285568 977271440 /nfs/dbraw/zinc/27/14/40/977271440.db2.gz OYTNYLOAFSCBCV-JTQLQIEISA-N 0 0 225.332 2.125 10 30 BEEERN C#CC[N@@H+](Cc1cc(C(=O)[O-])cs1)CC1CC1 ZINC000711406406 977543612 /nfs/dbraw/zinc/54/36/12/977543612.db2.gz IEFYUBQDOSNXMS-UHFFFAOYSA-N 0 0 249.335 2.292 10 30 BEEERN Cc1cc(CNCc2cc(C#N)ccc2F)on1 ZINC000044991803 1171430102 /nfs/dbraw/zinc/43/01/02/1171430102.db2.gz OWXLQXMINYKHJK-UHFFFAOYSA-N 0 0 245.257 2.284 10 30 BEEERN C=C(C)C(=O)[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685962223 538909181 /nfs/dbraw/zinc/90/91/81/538909181.db2.gz ZARPZYLYKLIQIX-ZJUUUORDSA-N 0 0 239.315 2.292 10 30 BEEERN C=CCC(=O)[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685962074 538909214 /nfs/dbraw/zinc/90/92/14/538909214.db2.gz SSIMQXZBTNDYLH-ZJUUUORDSA-N 0 0 239.315 2.292 10 30 BEEERN C[C@H](Cc1ccccc1)C(=O)NC(C)(C)C#N ZINC000062061001 349436283 /nfs/dbraw/zinc/43/62/83/349436283.db2.gz PTNGZIFWCASUFF-LLVKDONJSA-N 0 0 230.311 2.284 10 30 BEEERN CC(C#CC(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000685952524 538896341 /nfs/dbraw/zinc/89/63/41/538896341.db2.gz AKNPBMRXBLHKRC-MNOVXSKESA-N 0 0 224.300 2.147 10 30 BEEERN CC(C)(C)OC(=O)C#C[C@H]1CCCS1 ZINC000685953052 538896986 /nfs/dbraw/zinc/89/69/86/538896986.db2.gz JEIYVVYVTUYXJZ-SECBINFHSA-N 0 0 212.314 2.227 10 30 BEEERN Cc1cc(C)n2c3ccccc3c(=O)nc2c1C#N ZINC000003171826 177933412 /nfs/dbraw/zinc/93/34/12/177933412.db2.gz BTOXYPVLEVCQLW-UHFFFAOYSA-N 0 0 249.273 2.336 10 30 BEEERN COC(=O)N1CC[C@@H](c2ccccc2C#N)C1 ZINC000616611733 349468074 /nfs/dbraw/zinc/46/80/74/349468074.db2.gz MRAURLPBWUQKEP-LLVKDONJSA-N 0 0 230.267 2.114 10 30 BEEERN C[C@H](NCc1nccn1C)c1ccc(C#N)cc1 ZINC000037749555 398147936 /nfs/dbraw/zinc/14/79/36/398147936.db2.gz DGWBNHMEKCKEOF-NSHDSACASA-N 0 0 240.310 2.143 10 30 BEEERN Cc1cc(CN[C@@H]2CCCC[C@H]2C#N)no1 ZINC000054827881 178033744 /nfs/dbraw/zinc/03/37/44/178033744.db2.gz FQUCOXZNEKEIEB-CMPLNLGQSA-N 0 0 219.288 2.155 10 30 BEEERN Cc1cc(Cl)cc(C)c1OCC/C(N)=N/O ZINC000019438914 178063892 /nfs/dbraw/zinc/06/38/92/178063892.db2.gz FUMHHWRURJXZAG-UHFFFAOYSA-N 0 0 242.706 2.472 10 30 BEEERN N#CCc1nc(F)ccc1C(F)(F)F ZINC000306629957 398200753 /nfs/dbraw/zinc/20/07/53/398200753.db2.gz DXYAAFMSNWSECT-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN C[C@@H]1[C@@H](O)CCCN1Cc1ccc(F)cc1C#N ZINC000335597230 398215350 /nfs/dbraw/zinc/21/53/50/398215350.db2.gz QTAXDYRWXCWVMI-YGRLFVJLSA-N 0 0 248.301 2.043 10 30 BEEERN Cc1cc(NC[C@](C)(O)C(C)C)c(C#N)c(C)n1 ZINC000301807902 178170494 /nfs/dbraw/zinc/17/04/94/178170494.db2.gz YJJBIYJGPDSIGF-AWEZNQCLSA-N 0 0 247.342 2.389 10 30 BEEERN Cc1cc(OC/C(N)=N/O)cc(C)c1Cl ZINC000016971114 178207694 /nfs/dbraw/zinc/20/76/94/178207694.db2.gz ZGTKKKMRYGPBQM-UHFFFAOYSA-N 0 0 228.679 2.082 10 30 BEEERN Cc1cc(OCC=O)ccc1Br ZINC000019776805 178209222 /nfs/dbraw/zinc/20/92/22/178209222.db2.gz LQZCZHBWTMZWMW-UHFFFAOYSA-N 0 0 229.073 2.335 10 30 BEEERN COC(=O)C#Cc1c(C)cc(C)cc1C ZINC000070835056 361778991 /nfs/dbraw/zinc/77/89/91/361778991.db2.gz XKXZMWOIRZQPLT-UHFFFAOYSA-N 0 0 202.253 2.136 10 30 BEEERN C#C[C@@H](CC)Nc1nsnc1Cl ZINC000230020877 398233950 /nfs/dbraw/zinc/23/39/50/398233950.db2.gz VFYLIPSHWWXMCK-YFKPBYRVSA-N 0 0 201.682 2.015 10 30 BEEERN C=CCc1cc(OC)c(OC(C)=O)c(OC)c1 ZINC000014680149 192035618 /nfs/dbraw/zinc/03/56/18/192035618.db2.gz FDYLVSINANJYBC-UHFFFAOYSA-N 0 0 236.267 2.358 10 30 BEEERN COC(=O)[C@@H]1O[C@]1(C)CCCC(F)(F)F ZINC000166774723 538939601 /nfs/dbraw/zinc/93/96/01/538939601.db2.gz WKDHYPAOBBESMI-POYBYMJQSA-N 0 0 226.194 2.050 10 30 BEEERN C[C@H](C#N)C(=O)Nc1cc(F)cc(F)c1F ZINC000061119528 398244070 /nfs/dbraw/zinc/24/40/70/398244070.db2.gz ZJUGMBAWZOCZOK-RXMQYKEDSA-N 0 0 228.173 2.202 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@@]1(C)CC1CC1 ZINC000229762648 538941493 /nfs/dbraw/zinc/94/14/93/538941493.db2.gz AIAVEMCNZFYCPL-RYUDHWBXSA-N 0 0 212.289 2.287 10 30 BEEERN Cc1cc2ccccc2c(=O)n1CCS ZINC000072416142 178297957 /nfs/dbraw/zinc/29/79/57/178297957.db2.gz IKEMQDJNZJDALI-UHFFFAOYSA-N 0 0 219.309 2.240 10 30 BEEERN Cc1ccc(C#N)c(Nc2cccnc2)n1 ZINC000043398886 178365525 /nfs/dbraw/zinc/36/55/25/178365525.db2.gz FCYJQOFGJQUNOZ-UHFFFAOYSA-N 0 0 210.240 2.400 10 30 BEEERN Cc1ccc(C#N)c(O[C@H]2CCOC2)c1 ZINC000104148105 178366667 /nfs/dbraw/zinc/36/66/67/178366667.db2.gz DDAMQKDAKZOWNX-NSHDSACASA-N 0 0 203.241 2.034 10 30 BEEERN Cc1ccc(C#N)cc1N[C@@H](C)C(=O)NC(C)C ZINC000050430331 178367154 /nfs/dbraw/zinc/36/71/54/178367154.db2.gz IVJCPCUQRKXHQX-NSHDSACASA-N 0 0 245.326 2.192 10 30 BEEERN Cc1ccc(C#N)cc1NCc1csnn1 ZINC000050429889 178368019 /nfs/dbraw/zinc/36/80/19/178368019.db2.gz DWXRBVMWZFXLFV-UHFFFAOYSA-N 0 0 230.296 2.330 10 30 BEEERN CCC(CC)N(CCO)c1ccc(C#N)cc1N ZINC000042501231 168374241 /nfs/dbraw/zinc/37/42/41/168374241.db2.gz NQYODDCDFFRJCS-UHFFFAOYSA-N 0 0 247.342 2.128 10 30 BEEERN C=CCN(CCOC)C(=O)N[C@H](C)C(C)(C)C ZINC000188881071 346847653 /nfs/dbraw/zinc/84/76/53/346847653.db2.gz LTHXCFAGXBMIEH-LLVKDONJSA-N 0 0 242.363 2.265 10 30 BEEERN C=CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000405513011 538959897 /nfs/dbraw/zinc/95/98/97/538959897.db2.gz RZDYJNXZFLDJCR-ZJUUUORDSA-N 0 0 239.315 2.245 10 30 BEEERN C=CC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000405495312 538959963 /nfs/dbraw/zinc/95/99/63/538959963.db2.gz DYUFNFXNPNKZQP-JTQLQIEISA-N 0 0 239.315 2.389 10 30 BEEERN C=CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000405612360 538960371 /nfs/dbraw/zinc/96/03/71/538960371.db2.gz UHVZUGZFOQQWFU-NXEZZACHSA-N 0 0 239.315 2.387 10 30 BEEERN C=CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000405612362 538960599 /nfs/dbraw/zinc/96/05/99/538960599.db2.gz UHVZUGZFOQQWFU-UWVGGRQHSA-N 0 0 239.315 2.387 10 30 BEEERN C#Cc1cccc(CO[C@@H]2CCCCO2)n1 ZINC000143932542 342690793 /nfs/dbraw/zinc/69/07/93/342690793.db2.gz SHQVGVXVEKCOAQ-CYBMUJFWSA-N 0 0 217.268 2.106 10 30 BEEERN C#CC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000405920213 538961787 /nfs/dbraw/zinc/96/17/87/538961787.db2.gz CEVBBIZNHMCLMW-UHFFFAOYSA-N 0 0 237.299 2.026 10 30 BEEERN c1ccc2c(c1)nccc2OC[C@@H]1CO1 ZINC000146000983 342764243 /nfs/dbraw/zinc/76/42/43/342764243.db2.gz PXKDVPDQJFUYFG-VIFPVBQESA-N 0 0 201.225 2.012 10 30 BEEERN CCOC(=O)C#Cc1nc2ccccc2s1 ZINC000585143951 398283482 /nfs/dbraw/zinc/28/34/82/398283482.db2.gz VJLVGMFVGVXWEV-UHFFFAOYSA-N 0 0 231.276 2.211 10 30 BEEERN N#Cc1ccc(-c2cccc(C=O)c2)cn1 ZINC000148593688 342792109 /nfs/dbraw/zinc/79/21/09/342792109.db2.gz SXTSYQLHRGJPET-UHFFFAOYSA-N 0 0 208.220 2.433 10 30 BEEERN Cc1ccc(F)cc1[C@@H]1CC(=O)C=C(N)C1 ZINC000149839915 342794958 /nfs/dbraw/zinc/79/49/58/342794958.db2.gz FNXLWSIZISHXHC-VIFPVBQESA-N 0 0 219.259 2.423 10 30 BEEERN C=C[C@@H](NN)c1cc(F)cc(Br)c1 ZINC000097579936 342811274 /nfs/dbraw/zinc/81/12/74/342811274.db2.gz MGESYDHWUSXAHR-SECBINFHSA-N 0 0 245.095 2.279 10 30 BEEERN C[C@@H]1CN(Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000127019881 342814546 /nfs/dbraw/zinc/81/45/46/342814546.db2.gz WTROGBXDDVESFF-NXEZZACHSA-N 0 0 236.340 2.229 10 30 BEEERN CC(C)(C)c1nc([C@H](O)CC#N)cs1 ZINC000127040371 342814785 /nfs/dbraw/zinc/81/47/85/342814785.db2.gz IJGMYIGOMLBPDO-MRVPVSSYSA-N 0 0 210.302 2.388 10 30 BEEERN C=C[C@H](NN)c1cccc(Cl)c1F ZINC000097536324 342807047 /nfs/dbraw/zinc/80/70/47/342807047.db2.gz WBZMWJPXGLVIQJ-QMMMGPOBSA-N 0 0 200.644 2.170 10 30 BEEERN N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000393936231 344005593 /nfs/dbraw/zinc/00/55/93/344005593.db2.gz CCFDHBICWIXDHY-YVECIDJPSA-N 0 0 217.316 2.208 10 30 BEEERN N#CCc1csc(-c2ccncc2)n1 ZINC000061798166 344005585 /nfs/dbraw/zinc/00/55/85/344005585.db2.gz MZCPXMDHKACXOO-UHFFFAOYSA-N 0 0 201.254 2.271 10 30 BEEERN CC(C)Cc1ccc(NCCO)c(C#N)c1 ZINC000216708786 342840933 /nfs/dbraw/zinc/84/09/33/342840933.db2.gz KSHSISOMIPHFSM-UHFFFAOYSA-N 0 0 218.300 2.161 10 30 BEEERN CC(C)(C)OC(=O)N1CCn2ccc(C#N)c2C1 ZINC000219701575 342892761 /nfs/dbraw/zinc/89/27/61/342892761.db2.gz DXMHCXOHLHOEOZ-UHFFFAOYSA-N 0 0 247.298 2.110 10 30 BEEERN C[C@@H]1OCC[C@@H]1NC(=O)C[C@H]1CCCC(=O)N1 ZINC000329678278 136246215 /nfs/dbraw/zinc/24/62/15/136246215.db2.gz WZANNDNLLSNWMP-AEJSXWLSSA-N 0 0 240.303 2.019 10 30 BEEERN COc1ncc(CC#N)cc1OC(F)(F)F ZINC000309235736 342920412 /nfs/dbraw/zinc/92/04/12/342920412.db2.gz BGHMLTDYEXBTSA-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN Cc1cc(C#N)cc(N2CCO[C@@H]3CCC[C@H]32)n1 ZINC000228791969 398326983 /nfs/dbraw/zinc/32/69/83/398326983.db2.gz ZQWFIXZUQXCCIF-CHWSQXEVSA-N 0 0 243.310 2.019 10 30 BEEERN O=C1C=CC=CC1=c1ccc2c(n1)NC=CC=2 ZINC000100487558 398335950 /nfs/dbraw/zinc/33/59/50/398335950.db2.gz WOJJESNAZFYOMY-QXMHVHEDSA-N 0 0 222.247 2.470 10 30 BEEERN C#Cc1cccc(N[C@H](C)C(=O)N[C@@H](C)CC)c1 ZINC000020369658 187205697 /nfs/dbraw/zinc/20/56/97/187205697.db2.gz NZRUZBOAUHBOSG-NWDGAFQWSA-N 0 0 244.338 2.383 10 30 BEEERN COc1ccc2c(c1)[C@@](O)(CC#N)CCC2 ZINC000036420924 342995116 /nfs/dbraw/zinc/99/51/16/342995116.db2.gz WEYNDQBNPRNRPE-ZDUSSCGKSA-N 0 0 217.268 2.133 10 30 BEEERN C[C@H](C#N)C(=O)N1CCC(c2nccs2)CC1 ZINC000335909365 136261827 /nfs/dbraw/zinc/26/18/27/136261827.db2.gz DALSRJPUSQWOFO-SECBINFHSA-N 0 0 249.339 2.009 10 30 BEEERN C/C=C/C(=O)c1ccc(C(=O)OC)cc1 ZINC000144910828 343046188 /nfs/dbraw/zinc/04/61/88/343046188.db2.gz MYVSQIQSKHMDRB-ONEGZZNKSA-N 0 0 204.225 2.232 10 30 BEEERN C#CCNC(=O)/C(C)=C(\C)c1ccc(OC)cc1 ZINC000169343285 187227673 /nfs/dbraw/zinc/22/76/73/187227673.db2.gz GBXRCGSGRROTMO-VAWYXSNFSA-N 0 0 243.306 2.238 10 30 BEEERN CC(C)N(CCC#N)C(=O)Cc1ccccc1 ZINC000042530431 362006301 /nfs/dbraw/zinc/00/63/01/362006301.db2.gz JBQHTTIDUGRBAY-UHFFFAOYSA-N 0 0 230.311 2.380 10 30 BEEERN N#Cc1cnc2ccc(Br)cc2c1N ZINC000032500786 187230199 /nfs/dbraw/zinc/23/01/99/187230199.db2.gz NSESHVQEXDATLI-UHFFFAOYSA-N 0 0 248.083 2.451 10 30 BEEERN C=CCN(CC=C)[C@H](CC(C)C)C(=O)OC ZINC000220268269 343120280 /nfs/dbraw/zinc/12/02/80/343120280.db2.gz OENPMMJBPYBYMK-GFCCVEGCSA-N 0 0 225.332 2.248 10 30 BEEERN Cc1ccc(S(=O)(=O)OC/C=C\CF)cc1 ZINC000115531610 343120887 /nfs/dbraw/zinc/12/08/87/343120887.db2.gz LDEZKADODJSKQL-IHWYPQMZSA-N 0 0 244.287 2.226 10 30 BEEERN CC[C@H](C#N)Oc1cccc(F)c1C#N ZINC000043557335 343142580 /nfs/dbraw/zinc/14/25/80/343142580.db2.gz DZFILZPUAOQXTG-MRVPVSSYSA-N 0 0 204.204 2.378 10 30 BEEERN CC[C@@H](N=C(NC#N)Nc1ccncc1)C(C)C ZINC000013232861 187242643 /nfs/dbraw/zinc/24/26/43/187242643.db2.gz FGHNMXDJYUNDMK-GFCCVEGCSA-N 0 0 245.330 2.355 10 30 BEEERN N#CCCCCCCn1ccc([N+](=O)[O-])n1 ZINC000067799827 187246207 /nfs/dbraw/zinc/24/62/07/187246207.db2.gz NRQCGQXPKUHTDH-UHFFFAOYSA-N 0 0 222.248 2.265 10 30 BEEERN C=C1C(=O)O[C@H]2C[C@H](C)[C@@H]3CC(=O)C(C)=C3C[C@H]12 ZINC000004098229 187246983 /nfs/dbraw/zinc/24/69/83/187246983.db2.gz UQNONRHPSCIIJO-BNYHBGRESA-N 0 0 246.306 2.420 10 30 biogenic,in-vitro BEEERN N#Cc1csc(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000086573724 136281047 /nfs/dbraw/zinc/28/10/47/136281047.db2.gz SVOYAWRVPMXJFR-CMPLNLGQSA-N 0 0 231.324 2.402 10 30 BEEERN C=CCCOC(=O)C(C)(C)Br ZINC000145865436 343270857 /nfs/dbraw/zinc/27/08/57/343270857.db2.gz ZBTZNGUECMERJR-UHFFFAOYSA-N 0 0 221.094 2.279 10 30 BEEERN N#C[C@@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000036427427 343318665 /nfs/dbraw/zinc/31/86/65/343318665.db2.gz BTVIFKHFXAZCOT-CYBMUJFWSA-N 0 0 237.262 2.076 10 30 BEEERN Cc1ccc(C2=NO[C@H](C#N)CC2)cc1 ZINC000040835198 178513287 /nfs/dbraw/zinc/51/32/87/178513287.db2.gz PFNGTWDMYGQJOS-NSHDSACASA-N 0 0 200.241 2.402 10 30 BEEERN Cc1cc(C#N)cc(C)c1OC(=S)N(C)C ZINC000200473603 343294531 /nfs/dbraw/zinc/29/45/31/343294531.db2.gz SQYNTKILXLBYQO-UHFFFAOYSA-N 0 0 234.324 2.400 10 30 BEEERN C=C(Cl)CN1CCc2c(N)cccc2C1 ZINC000038032835 187255334 /nfs/dbraw/zinc/25/53/34/187255334.db2.gz FWCMSTMBPHYTNZ-UHFFFAOYSA-N 0 0 222.719 2.379 10 30 BEEERN C=CC(=O)Nc1sc(C)c(C)c1C#N ZINC000036334608 343315848 /nfs/dbraw/zinc/31/58/48/343315848.db2.gz RVYUDQUSVNIDFN-UHFFFAOYSA-N 0 0 206.270 2.361 10 30 BEEERN N#C[C@@]1(N2CCCCC2)CCCSC1 ZINC000032189848 187256183 /nfs/dbraw/zinc/25/61/83/187256183.db2.gz IMYZVFFDFAAPLC-NSHDSACASA-N 0 0 210.346 2.262 10 30 BEEERN COc1cc(C(C)(C)C=O)cc(OC)c1OC ZINC000041279926 343418356 /nfs/dbraw/zinc/41/83/56/343418356.db2.gz PTOCOQGLKZYCHS-UHFFFAOYSA-N 0 0 238.283 2.189 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)C[C@H]1CCCCNC1=O ZINC000329440100 136365803 /nfs/dbraw/zinc/36/58/03/136365803.db2.gz MWNYZBNYIZDXFP-BBBLOLIVSA-N 0 0 224.304 2.498 10 30 BEEERN C[C@H]1CC[C@H](C(=O)Nc2cn(C)nc2C2CC2)O1 ZINC000329617166 136366946 /nfs/dbraw/zinc/36/69/46/136366946.db2.gz LQDARNPDBSRUIX-GZMMTYOYSA-N 0 0 249.314 2.453 10 30 BEEERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)C#N ZINC000246824826 133489525 /nfs/dbraw/zinc/48/95/25/133489525.db2.gz BKYVBQIPTNTYAK-WXHSDQCUSA-N 0 0 228.295 2.127 10 30 BEEERN C[Si](C)(C)C#Cc1cccc(CO)c1 ZINC000203815891 343545854 /nfs/dbraw/zinc/54/58/54/343545854.db2.gz UZZXLCBJBRCJMC-UHFFFAOYSA-N 0 0 204.345 2.408 10 30 BEEERN CC(C)N(CCC#N)c1ccc([N+](=O)[O-])nc1 ZINC000042530887 187265992 /nfs/dbraw/zinc/26/59/92/187265992.db2.gz TTXVBNINFPHZLK-UHFFFAOYSA-N 0 0 234.259 2.118 10 30 BEEERN N#Cc1cccc(-n2cc(-c3ccccn3)nn2)c1 ZINC000013582334 343580566 /nfs/dbraw/zinc/58/05/66/343580566.db2.gz NUAUHFOOUOUZDG-UHFFFAOYSA-N 0 0 247.261 2.201 10 30 BEEERN Cc1ccc(CN(C)c2ncc(N)cc2C#N)o1 ZINC000037759097 178557816 /nfs/dbraw/zinc/55/78/16/178557816.db2.gz HTNJKTFXVVXNNV-UHFFFAOYSA-N 0 0 242.282 2.073 10 30 BEEERN Cc1ccc(CN(C)c2ccnc(C#N)c2)o1 ZINC000061814953 178557667 /nfs/dbraw/zinc/55/76/67/178557667.db2.gz DUTXCANUYALRBH-UHFFFAOYSA-N 0 0 227.267 2.491 10 30 BEEERN N/C(=N/O)c1ccc(Cl)c(Br)c1 ZINC000126731599 344035314 /nfs/dbraw/zinc/03/53/14/344035314.db2.gz HDOQMMMHTVIESB-UHFFFAOYSA-N 0 0 249.495 2.197 10 30 BEEERN N#CCCN(C[C@@H](O)c1ccccc1)C1CC1 ZINC000044415031 187268870 /nfs/dbraw/zinc/26/88/70/187268870.db2.gz PIYGAOHJTUOCLU-CQSZACIVSA-N 0 0 230.311 2.098 10 30 BEEERN CN1CCC2=C(Cc3ccccc32)[C@@H]1C#N ZINC000214899088 349828273 /nfs/dbraw/zinc/82/82/73/349828273.db2.gz HEUJSLZEIQQVEZ-AWEZNQCLSA-N 0 0 210.280 2.224 10 30 BEEERN Cc1ccnc(N2CCC[C@@H]2CCCO)c1C#N ZINC000135075382 343731033 /nfs/dbraw/zinc/73/10/33/343731033.db2.gz UNTBFANEXCRZKW-GFCCVEGCSA-N 0 0 245.326 2.003 10 30 BEEERN C#CC(C)(C)Nc1cnc(Br)cn1 ZINC000306237300 343758576 /nfs/dbraw/zinc/75/85/76/343758576.db2.gz HUBZEILEGHUYCX-UHFFFAOYSA-N 0 0 240.104 2.063 10 30 BEEERN CC(C)(O)C#Cc1cncc2ccccc12 ZINC000135120346 343788401 /nfs/dbraw/zinc/78/84/01/343788401.db2.gz XPXHIMZYBDYENQ-UHFFFAOYSA-N 0 0 211.264 2.357 10 30 BEEERN CC(C)N(CC#N)C(=O)c1cccc(F)c1 ZINC000057501180 187273197 /nfs/dbraw/zinc/27/31/97/187273197.db2.gz OZHZUHYRAAXRPE-UHFFFAOYSA-N 0 0 220.247 2.200 10 30 BEEERN C=CCN(CC=C)c1cc(NC)[nH+]c(C)n1 ZINC000409427537 343801270 /nfs/dbraw/zinc/80/12/70/343801270.db2.gz ALPHMEIEHXYDSY-UHFFFAOYSA-N 0 0 218.304 2.005 10 30 BEEERN C/C(=N/O)c1cccc(O[C@@H]2CCOC2)c1 ZINC000070072216 187275209 /nfs/dbraw/zinc/27/52/09/187275209.db2.gz LMHGCRLBRAQPQT-FNWMBBJUSA-N 0 0 221.256 2.053 10 30 BEEERN O=CC1(COc2ncccc2C(F)(F)F)CC1 ZINC000409431293 343820358 /nfs/dbraw/zinc/82/03/58/343820358.db2.gz IYFYRIOKYLNVEA-UHFFFAOYSA-N 0 0 245.200 2.458 10 30 BEEERN O=CC1(COc2cc(C(F)(F)F)ccn2)CC1 ZINC000409432278 343825573 /nfs/dbraw/zinc/82/55/73/343825573.db2.gz NESZVMOUNJTHLC-UHFFFAOYSA-N 0 0 245.200 2.458 10 30 BEEERN Cc1ccc(CNC(=O)[C@@H](C)CC#N)cc1 ZINC000049816048 178595618 /nfs/dbraw/zinc/59/56/18/178595618.db2.gz YRSFDYHDLLUOQC-NSHDSACASA-N 0 0 216.284 2.161 10 30 BEEERN C#CCn1ccn2nc(-c3ccoc3)cc12 ZINC000409437017 343841806 /nfs/dbraw/zinc/84/18/06/343841806.db2.gz BHDRMHHNCJDHRH-UHFFFAOYSA-N 0 0 211.224 2.029 10 30 BEEERN C#CCn1nc(-c2cccs2)c2c1CCOC2 ZINC000409437678 343848494 /nfs/dbraw/zinc/84/84/94/343848494.db2.gz IBIRKTUQGIFHNF-UHFFFAOYSA-N 0 0 244.319 2.318 10 30 BEEERN COC(=O)[C@]1(C)O[C@@]12CCCC21CCCC1 ZINC000328234890 537827966 /nfs/dbraw/zinc/82/79/66/537827966.db2.gz FLLCLZXBGAVZDL-AAEUAGOBSA-N 0 0 224.300 2.431 10 30 BEEERN FC(F)(F)c1cc(C#CC2CC2)ncn1 ZINC000585143686 343878803 /nfs/dbraw/zinc/87/88/03/343878803.db2.gz GPWKDTKHRRSERV-UHFFFAOYSA-N 0 0 212.174 2.257 10 30 BEEERN CC(=O)c1ccc(C#CCn2cccn2)s1 ZINC000585145456 343881206 /nfs/dbraw/zinc/88/12/06/343881206.db2.gz VUBQWTBVLJBAPC-UHFFFAOYSA-N 0 0 230.292 2.199 10 30 BEEERN CC#CCOc1cc(O[C@H](C)CC)ncn1 ZINC000039121208 187353856 /nfs/dbraw/zinc/35/38/56/187353856.db2.gz VLCCMNWIGBTAFR-SNVBAGLBSA-N 0 0 220.272 2.056 10 30 BEEERN C#CCn1cc(C(=O)OC)c(-c2cccs2)n1 ZINC000409441707 343860746 /nfs/dbraw/zinc/86/07/46/343860746.db2.gz ZMNICKPJGNZMLB-UHFFFAOYSA-N 0 0 246.291 2.031 10 30 BEEERN O=C[C@H]1CCCCN1c1ncccc1Cl ZINC000054268183 343885067 /nfs/dbraw/zinc/88/50/67/343885067.db2.gz DZRSYCSIAJVTEN-SECBINFHSA-N 0 0 224.691 2.293 10 30 BEEERN C=C(C)n1c2cc(C)c(C)cc2[nH]c1=O ZINC000039372189 187354149 /nfs/dbraw/zinc/35/41/49/187354149.db2.gz UGTWZARXCXTPTN-UHFFFAOYSA-N 0 0 202.257 2.437 10 30 BEEERN C=C[C@@H](O)c1ccc(N)cc1Br ZINC000307289800 343917557 /nfs/dbraw/zinc/91/75/57/343917557.db2.gz ZJFOPDBKJKJLHK-SECBINFHSA-N 0 0 228.089 2.251 10 30 BEEERN C=C(c1cc(=O)[nH]c(C)n1)C(F)(F)F ZINC000307422459 343935960 /nfs/dbraw/zinc/93/59/60/343935960.db2.gz MWWHCEGHTMBIPU-UHFFFAOYSA-N 0 0 204.151 2.066 10 30 BEEERN Cc1cc(C#N)cc(C)c1O[C@H](C)[C@@H](C)O ZINC000087130967 187286338 /nfs/dbraw/zinc/28/63/38/187286338.db2.gz ZYDVNTFVVFZQGE-GHMZBOCLSA-N 0 0 219.284 2.323 10 30 BEEERN C[C@@H]1CC[C@@](C#N)(NCc2ccccc2)CO1 ZINC000401463873 362348176 /nfs/dbraw/zinc/34/81/76/362348176.db2.gz KTXZMRWKCNUNJV-OCCSQVGLSA-N 0 0 230.311 2.237 10 30 BEEERN C=CCNc1ccc2scnc2c1N ZINC000052923542 187359025 /nfs/dbraw/zinc/35/90/25/187359025.db2.gz ZALOHSFKJKOKNM-UHFFFAOYSA-N 0 0 205.286 2.476 10 30 BEEERN N#CC(C#N)=NNc1ccc(Cl)cc1 ZINC000000045245 344078972 /nfs/dbraw/zinc/07/89/72/344078972.db2.gz LLQAOIITXFNWED-UHFFFAOYSA-N 0 0 204.620 2.155 10 30 BEEERN Cc1ccc(NC(=O)CCS)cc1F ZINC000235786863 344133163 /nfs/dbraw/zinc/13/31/63/344133163.db2.gz YEFJIAOCNFRTTC-UHFFFAOYSA-N 0 0 213.277 2.393 10 30 BEEERN CC(C)(O)C#Cc1cccc(C(F)(F)F)n1 ZINC000585143860 344179234 /nfs/dbraw/zinc/17/92/34/344179234.db2.gz QMUDMGVKTRREDP-UHFFFAOYSA-N 0 0 229.201 2.223 10 30 BEEERN C[C@@H](C=O)Sc1ccccc1[N+](=O)[O-] ZINC000616574306 344186891 /nfs/dbraw/zinc/18/68/91/344186891.db2.gz ZCMPUWANWQHPOV-ZETCQYMHSA-N 0 0 211.242 2.274 10 30 BEEERN N#CC1(N2CCCCC2)CCSCC1 ZINC000039018878 344279167 /nfs/dbraw/zinc/27/91/67/344279167.db2.gz XNIKTAHCSRKRHI-UHFFFAOYSA-N 0 0 210.346 2.262 10 30 BEEERN CC(C)(C)C(=O)Nc1cc(C#N)ccc1CO ZINC000217952744 344423919 /nfs/dbraw/zinc/42/39/19/344423919.db2.gz QFKDALAIDCVKJW-UHFFFAOYSA-N 0 0 232.283 2.035 10 30 BEEERN OCCCC#Cc1cc2cc[nH]c2cc1F ZINC000145936328 344386735 /nfs/dbraw/zinc/38/67/35/344386735.db2.gz WMBZSZCZRQJSKF-UHFFFAOYSA-N 0 0 217.243 2.431 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NCC(F)(F)F ZINC000054824492 344456441 /nfs/dbraw/zinc/45/64/41/344456441.db2.gz KNDJKEHJMZVAAZ-HTQZYQBOSA-N 0 0 206.211 2.221 10 30 BEEERN N#Cc1cn(CC2CC2)nc1-c1ccccn1 ZINC000409440803 344461069 /nfs/dbraw/zinc/46/10/69/344461069.db2.gz UWVNRINFCIFZGH-UHFFFAOYSA-N 0 0 224.267 2.227 10 30 BEEERN Cc1cccc(Cc2cc(C#N)ncn2)c1 ZINC000409436645 344461209 /nfs/dbraw/zinc/46/12/09/344461209.db2.gz PTDCZMOPQOQVLE-UHFFFAOYSA-N 0 0 209.252 2.248 10 30 BEEERN CC(C)Cn1cc(C#N)c(-c2ccccn2)n1 ZINC000409440117 344461256 /nfs/dbraw/zinc/46/12/56/344461256.db2.gz RWVUTCVHHUPRKG-UHFFFAOYSA-N 0 0 226.283 2.473 10 30 BEEERN CCc1ccc(CC(=O)N[C@H](C#N)C2CC2)cc1 ZINC000119720321 344469351 /nfs/dbraw/zinc/46/93/51/344469351.db2.gz ANCHCPWBGCLDOV-CQSZACIVSA-N 0 0 242.322 2.210 10 30 BEEERN CC(C)[C@@H](C)NC(=O)C1(C#N)CCCC1 ZINC000044300096 344538411 /nfs/dbraw/zinc/53/84/11/344538411.db2.gz ZDAUKGLKXFMDAY-SNVBAGLBSA-N 0 0 208.305 2.231 10 30 BEEERN CC(C)n1nc(C(F)(F)F)cc1C#N ZINC000259338523 344591634 /nfs/dbraw/zinc/59/16/34/344591634.db2.gz LPDKKXFKNBTISP-UHFFFAOYSA-N 0 0 203.167 2.354 10 30 BEEERN COC(C)(C)C[C@@](C)(Br)C#N ZINC000127630570 344580109 /nfs/dbraw/zinc/58/01/09/344580109.db2.gz MRYACMOXBAPHHW-MRVPVSSYSA-N 0 0 220.110 2.479 10 30 BEEERN C=C[C@H](CC(C)(C)O)NC(=O)OC(C)(C)C ZINC000072482003 187359474 /nfs/dbraw/zinc/35/94/74/187359474.db2.gz IGQCMTDWAFVUFQ-SECBINFHSA-N 0 0 229.320 2.227 10 30 BEEERN N#CCc1cnc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000396122945 344609041 /nfs/dbraw/zinc/60/90/41/344609041.db2.gz VQXUJESVLZTZSH-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN N#CCc1c([N+](=O)[O-])cncc1C(F)(F)F ZINC000396123917 344609393 /nfs/dbraw/zinc/60/93/93/344609393.db2.gz XVIRPDPJRYBXNN-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN N#Cc1ccc(N)c(OC(F)(F)F)c1F ZINC000396143011 344616836 /nfs/dbraw/zinc/61/68/36/344616836.db2.gz KXDLVZYZSIUNBE-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN N#CCc1ccc(N)c(F)c1C(F)(F)F ZINC000396093227 344600047 /nfs/dbraw/zinc/60/00/47/344600047.db2.gz ICGQWRGKQAIAQA-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN COc1c(CC#N)cncc1C(F)(F)F ZINC000396102809 344602672 /nfs/dbraw/zinc/60/26/72/344602672.db2.gz JLYSLIIZPCVQQK-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1c(C(F)(F)F)ccnc1[N+](=O)[O-] ZINC000396119137 344607923 /nfs/dbraw/zinc/60/79/23/344607923.db2.gz JQONSXDSGBRXHZ-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN N#CCc1ccc([N+](=O)[O-])nc1C(F)(F)F ZINC000396119585 344608131 /nfs/dbraw/zinc/60/81/31/344608131.db2.gz KHAOILVLEPTVFV-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C=C[C@@H](NN)c1ccc(F)cc1Br ZINC000158429923 344650754 /nfs/dbraw/zinc/65/07/54/344650754.db2.gz WEYZRCRRSVDNIL-SECBINFHSA-N 0 0 245.095 2.279 10 30 BEEERN CC(C)Cn1nc(-c2ccncc2)cc1C#N ZINC000259414420 344637274 /nfs/dbraw/zinc/63/72/74/344637274.db2.gz RTNLWQGPLJQXOO-UHFFFAOYSA-N 0 0 226.283 2.473 10 30 BEEERN CC(C)CC(=O)N[C@@H]1CCCC[C@H]1C#N ZINC000260115852 344710333 /nfs/dbraw/zinc/71/03/33/344710333.db2.gz RFOUPEVBNGDTGJ-WDEREUQCSA-N 0 0 208.305 2.231 10 30 BEEERN CC(C)(C#N)C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000378082482 534969664 /nfs/dbraw/zinc/96/96/64/534969664.db2.gz HESYXAGYRLWAPR-GHMZBOCLSA-N 0 0 220.316 2.327 10 30 BEEERN C=CCCCN(C)C(=O)c1n[nH]c2c1CCCC2 ZINC000135658972 344839051 /nfs/dbraw/zinc/83/90/51/344839051.db2.gz AACFGTUKSITISP-UHFFFAOYSA-N 0 0 247.342 2.327 10 30 BEEERN COC(=O)C[C@]1([C@@H]2CO2)CC[C@@H](C)[C@@H](C)C1 ZINC000675053225 537863745 /nfs/dbraw/zinc/86/37/45/537863745.db2.gz LZZVMCVPJCYUFX-BLFANLJRSA-N 0 0 226.316 2.391 10 30 BEEERN C=CCOc1cccc(C(=O)OC)c1C ZINC000118884987 344830657 /nfs/dbraw/zinc/83/06/57/344830657.db2.gz DDCGDLFMJRRRMJ-UHFFFAOYSA-N 0 0 206.241 2.346 10 30 BEEERN CCOc1cc(-n2ccnc2)ccc1C#N ZINC000039099960 344847296 /nfs/dbraw/zinc/84/72/96/344847296.db2.gz UZPYAYPVFMJEMB-UHFFFAOYSA-N 0 0 213.240 2.143 10 30 BEEERN CCCCC[C@@]1(C)O[C@@]1(C)C(=O)OC ZINC000087649337 537869776 /nfs/dbraw/zinc/86/97/76/537869776.db2.gz BMHFARVKPGLPEL-MNOVXSKESA-N 0 0 200.278 2.287 10 30 BEEERN C[C@@H](S)C(=O)N[C@H](C)C1CCCCC1 ZINC000235290184 344872703 /nfs/dbraw/zinc/87/27/03/344872703.db2.gz BQKBUPOSPZMUME-RKDXNWHRSA-N 0 0 215.362 2.390 10 30 BEEERN C[C@@H](S)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000235293754 344875066 /nfs/dbraw/zinc/87/50/66/344875066.db2.gz KPXVNPBKIARMLY-BBBLOLIVSA-N 0 0 215.362 2.247 10 30 BEEERN CSCC[C@H](C#N)NC(=O)OC(C)(C)C ZINC000166398894 344888086 /nfs/dbraw/zinc/88/80/86/344888086.db2.gz CBXKFRJMNAWJHF-MRVPVSSYSA-N 0 0 230.333 2.156 10 30 BEEERN C[C@](C#N)(NC1CCCC1)C(F)(F)F ZINC000235385602 344899558 /nfs/dbraw/zinc/89/95/58/344899558.db2.gz BWLWWHZZHDYBIY-MRVPVSSYSA-N 0 0 206.211 2.363 10 30 BEEERN C/C(=N/O)c1ccc(OCCn2cccn2)cc1 ZINC000049314710 187294086 /nfs/dbraw/zinc/29/40/86/187294086.db2.gz GEVAPMDRZHSAGS-PTNGSMBKSA-N 0 0 245.282 2.160 10 30 BEEERN N#C[C@]1(Cc2cscn2)CCCS1 ZINC000166476758 344904785 /nfs/dbraw/zinc/90/47/85/344904785.db2.gz LZZYTXPYYBMMCE-SECBINFHSA-N 0 0 210.327 2.475 10 30 BEEERN COc1cc(C#N)c(OC)cc1Br ZINC000039121665 344929084 /nfs/dbraw/zinc/92/90/84/344929084.db2.gz HUWSUIXYTKIMDE-UHFFFAOYSA-N 0 0 242.072 2.338 10 30 BEEERN C[C@H](S)C(=O)N1CC[C@@H](C(C)(C)C)C1 ZINC000235549827 344938374 /nfs/dbraw/zinc/93/83/74/344938374.db2.gz DORQOJJTONILSE-DTWKUNHWSA-N 0 0 215.362 2.199 10 30 BEEERN C=CCc1ccc(C(=O)OC)c(C#N)c1 ZINC000145725707 187296139 /nfs/dbraw/zinc/29/61/39/187296139.db2.gz BBXOXLFVLIFZOB-UHFFFAOYSA-N 0 0 201.225 2.073 10 30 BEEERN C[C@@H]1CC=C(C(=O)c2nccn2C)CC1 ZINC000235619113 344955933 /nfs/dbraw/zinc/95/59/33/344955933.db2.gz XZEHZMUPNJXXIS-SECBINFHSA-N 0 0 204.273 2.349 10 30 BEEERN C[C@H](S)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000235550794 344938898 /nfs/dbraw/zinc/93/88/98/344938898.db2.gz ZFBWTGYGWMHFIH-CIUDSAMLSA-N 0 0 201.335 2.094 10 30 BEEERN C=C[C@H](C)Nc1nc(Cl)nc(C)c1N ZINC000235557037 344940880 /nfs/dbraw/zinc/94/08/80/344940880.db2.gz JOBOQXIBTZPLIE-YFKPBYRVSA-N 0 0 212.684 2.007 10 30 BEEERN C[C@H](S)C(=O)NCc1cccc(Cl)c1 ZINC000235558041 344941418 /nfs/dbraw/zinc/94/14/18/344941418.db2.gz HAYOXLBCIHSWEL-ZETCQYMHSA-N 0 0 229.732 2.275 10 30 BEEERN C[C@H](S)C(=O)NCc1ccccc1Cl ZINC000235558197 344941431 /nfs/dbraw/zinc/94/14/31/344941431.db2.gz AMVSXENUZGPDAI-ZETCQYMHSA-N 0 0 229.732 2.275 10 30 BEEERN C[C@H]1CS[C@H](c2ccccc2C#N)N1 ZINC000235673750 345009355 /nfs/dbraw/zinc/00/93/55/345009355.db2.gz QGCRXOFRFXVEEW-GZMMTYOYSA-N 0 0 204.298 2.282 10 30 BEEERN Cc1ccc(C#N)nc1OC(F)(F)F ZINC000238546793 345074932 /nfs/dbraw/zinc/07/49/32/345074932.db2.gz DJXOTFBPKPJISF-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN C=CC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000114156275 537888432 /nfs/dbraw/zinc/88/84/32/537888432.db2.gz PIMHNEBWYKVGLC-JTQLQIEISA-N 0 0 239.315 2.389 10 30 BEEERN N#CC1CCN(C(=O)NCCC2=CCCC2)CC1 ZINC000126122853 345106730 /nfs/dbraw/zinc/10/67/30/345106730.db2.gz OBNUJQKMXDDGHA-UHFFFAOYSA-N 0 0 247.342 2.432 10 30 BEEERN C=C(C)CN(CC)C(=O)c1cnn2c1CCCC2 ZINC000126113290 345107052 /nfs/dbraw/zinc/10/70/52/345107052.db2.gz ZMJJKSMGAYDHNV-UHFFFAOYSA-N 0 0 247.342 2.258 10 30 BEEERN C[C@@H]1CN(CC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000126662171 345130737 /nfs/dbraw/zinc/13/07/37/345130737.db2.gz COUOFLYOQYEJIX-ZWNOBZJWSA-N 0 0 234.274 2.111 10 30 BEEERN CC1=NN(C)C(=O)C1c1ccc(C)c(C#N)c1 ZINC000675054106 537891223 /nfs/dbraw/zinc/89/12/23/537891223.db2.gz NSWOIBBNYCSNCY-UHFFFAOYSA-N 0 0 227.267 2.281 10 30 BEEERN C=CC[C@H](O)c1cccc(OC)c1OC ZINC000001597424 187301944 /nfs/dbraw/zinc/30/19/44/187301944.db2.gz HLBPLFQBIHUOAS-JTQLQIEISA-N 0 0 208.257 2.313 10 30 BEEERN C#CCCNc1cc(Cl)nc(SC)n1 ZINC000229302881 345493959 /nfs/dbraw/zinc/49/39/59/345493959.db2.gz KMCSEPNAABGOIN-UHFFFAOYSA-N 0 0 227.720 2.287 10 30 BEEERN COC(=O)c1cc(C#N)c(C#N)c2ccccc12 ZINC000137369876 345615598 /nfs/dbraw/zinc/61/55/98/345615598.db2.gz KSXBRXGWXKOFLJ-UHFFFAOYSA-N 0 0 236.230 2.370 10 30 BEEERN CC(C)(C#N)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000336136596 534999414 /nfs/dbraw/zinc/99/94/14/534999414.db2.gz BUFYHIJLCLVRSX-HNNXBMFYSA-N 0 0 242.322 2.420 10 30 BEEERN CCC(C#N)(CC)C(=O)N1CCS[C@@H](C)C1 ZINC000137163824 345584791 /nfs/dbraw/zinc/58/47/91/345584791.db2.gz WNHQBCLAJODPJW-JTQLQIEISA-N 0 0 240.372 2.280 10 30 BEEERN C=C[C@@H]1OC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000213551686 345589519 /nfs/dbraw/zinc/58/95/19/345589519.db2.gz DOFMANRUKKLSMG-QWRGUYRKSA-N 0 0 219.240 2.031 10 30 BEEERN C=C(C)C1=N[C@@](C)(c2ccccc2)C(=O)O1 ZINC000113990324 345755367 /nfs/dbraw/zinc/75/53/67/345755367.db2.gz URDUKROSCCHPQL-ZDUSSCGKSA-N 0 0 215.252 2.433 10 30 BEEERN Cc1cnc(F)c(-c2c(N)cc(C#N)cc2N)c1 ZINC000114302731 345756413 /nfs/dbraw/zinc/75/64/13/345756413.db2.gz PMILIGCEMNMWQU-UHFFFAOYSA-N 0 0 242.257 2.232 10 30 BEEERN CC1(C)OC[C@@H](CC=O)[C@@H](c2cccnc2)O1 ZINC000034117658 345816969 /nfs/dbraw/zinc/81/69/69/345816969.db2.gz QWKVPWVSGXBCMN-VXGBXAGGSA-N 0 0 235.283 2.111 10 30 BEEERN C#CCCCOc1c(C)cc(/C(N)=N/O)cc1C ZINC000034182874 345818847 /nfs/dbraw/zinc/81/88/47/345818847.db2.gz TYTSXHXBMJXBAJ-UHFFFAOYSA-N 0 0 246.310 2.190 10 30 BEEERN C#CC[C@@H](O)CCCCO[C@H]1CCCCO1 ZINC000138290126 345762320 /nfs/dbraw/zinc/76/23/20/345762320.db2.gz FYVDBBAQKMRIGO-CHWSQXEVSA-N 0 0 226.316 2.084 10 30 BEEERN CC(=O)/C=C/C1=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@@H](O)O1 ZINC000256002241 345764787 /nfs/dbraw/zinc/76/47/87/345764787.db2.gz SSFLZIBVARYADM-GGPZKPICSA-N 0 0 236.311 2.417 10 30 BEEERN CC(C)(C)C(CSc1cccc[n+]1[O-])=NO ZINC000257353321 345774518 /nfs/dbraw/zinc/77/45/18/345774518.db2.gz QMLXRBZDLPJECC-UHFFFAOYSA-N 0 0 240.328 2.288 10 30 BEEERN COc1ccccc1NN=C(C#N)C#N ZINC000257353603 345774537 /nfs/dbraw/zinc/77/45/37/345774537.db2.gz SBLSFFLNCIOIMM-UHFFFAOYSA-N 0 0 200.201 2.195 10 30 BEEERN COC(=O)c1cc(F)c(Cl)cc1C#N ZINC000307436621 345785755 /nfs/dbraw/zinc/78/57/55/345785755.db2.gz RCPYPXXAOOJBAH-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN C#C[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000035259684 345847187 /nfs/dbraw/zinc/84/71/87/345847187.db2.gz NVGOXTCHTQBLHA-VIFPVBQESA-N 0 0 220.268 2.449 10 30 BEEERN N#Cc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 ZINC000218514127 345853281 /nfs/dbraw/zinc/85/32/81/345853281.db2.gz UNNVKBBGASZHOB-OAHLLOKOSA-N 0 0 234.202 2.484 10 30 BEEERN CCOc1cc([C@H](N)C#N)ccc1OC(C)C ZINC000140878237 345858488 /nfs/dbraw/zinc/85/84/88/345858488.db2.gz XDMRJEUOKHVSBL-LLVKDONJSA-N 0 0 234.299 2.396 10 30 BEEERN COc1ccc2c(c1)[C@@H]1O[C@@H]1C(C)(C)C2=O ZINC000034412565 345827592 /nfs/dbraw/zinc/82/75/92/345827592.db2.gz FQETZCBEKYQUCZ-JQWIXIFHSA-N 0 0 218.252 2.358 10 30 BEEERN N#Cc1cc(CO)ccc1C(F)(F)F ZINC000141028767 345830328 /nfs/dbraw/zinc/83/03/28/345830328.db2.gz JRNCEGUPAXVIOT-UHFFFAOYSA-N 0 0 201.147 2.069 10 30 BEEERN C[C@@H]1CCCC[C@@]1(O)C#CBr ZINC000142465654 345863218 /nfs/dbraw/zinc/86/32/18/345863218.db2.gz MMPXWGDMMTXCNH-RKDXNWHRSA-N 0 0 217.106 2.283 10 30 BEEERN C=C(C)[C@H]1Cc2cc(C(C)=O)cc(O)c2O1 ZINC000013305897 290762297 /nfs/dbraw/zinc/76/22/97/290762297.db2.gz GWXUAIFBKMNTQY-GFCCVEGCSA-N 0 0 218.252 2.474 10 30 biogenic BEEERN c1cc2c(c(OC[C@H]3CO3)c1)CC=CC2 ZINC000034619220 345838606 /nfs/dbraw/zinc/83/86/06/345838606.db2.gz CXAQWJKJYACIFY-LLVKDONJSA-N 0 0 202.253 2.119 10 30 BEEERN C[Si](C)(C)C#Cc1ccccc1NC(N)=O ZINC000195852128 345838653 /nfs/dbraw/zinc/83/86/53/345838653.db2.gz WHPQUQHKLWDTDL-UHFFFAOYSA-N 0 0 232.359 2.406 10 30 BEEERN C[Si](C)(C#CCO)Cc1ccccc1 ZINC000195832384 345838935 /nfs/dbraw/zinc/83/89/35/345838935.db2.gz AKTTUIOZUOOZEB-UHFFFAOYSA-N 0 0 204.345 2.012 10 30 BEEERN N#Cc1ccc(C(=O)c2ccc(O)cc2)cc1 ZINC000137253128 345839758 /nfs/dbraw/zinc/83/97/58/345839758.db2.gz CZYTUQCWOMSDFL-UHFFFAOYSA-N 0 0 223.231 2.495 10 30 BEEERN Cc1cc(F)c([C@@]2(C)O[C@H]2C#N)cc1F ZINC000306412431 537914558 /nfs/dbraw/zinc/91/45/58/537914558.db2.gz QTFJCQCLGVXRDK-WDEREUQCSA-N 0 0 209.195 2.411 10 30 BEEERN Cc1cc(F)c([C@]2(C)O[C@@H]2C#N)cc1F ZINC000306412427 537914568 /nfs/dbraw/zinc/91/45/68/537914568.db2.gz QTFJCQCLGVXRDK-MNOVXSKESA-N 0 0 209.195 2.411 10 30 BEEERN COc1cc(=CC=O)c(=CNC(C)(C)C)cn1 ZINC000143095650 345891510 /nfs/dbraw/zinc/89/15/10/345891510.db2.gz ORZCLSVAZQULLF-OQLLNIDSSA-N 0 0 234.299 2.049 10 30 BEEERN CCO[C@@H]1C[C@@H](C)C2=C(CCCC2=O)O1 ZINC000143032878 345885820 /nfs/dbraw/zinc/88/58/20/345885820.db2.gz JQSVMOMBBHQBSL-KCJUWKMLSA-N 0 0 210.273 2.413 10 30 BEEERN Cc1cc(C#N)cc(N[C@]2(C)CCCOC2)n1 ZINC000235827665 345937354 /nfs/dbraw/zinc/93/73/54/345937354.db2.gz NJRINGFLOBTGEV-CYBMUJFWSA-N 0 0 231.299 2.243 10 30 BEEERN Cc1ccc2c(c1)nc(CCS)n2C ZINC000074295590 178959735 /nfs/dbraw/zinc/95/97/35/178959735.db2.gz AMNXVEJADIKIQR-UHFFFAOYSA-N 0 0 206.314 2.354 10 30 BEEERN Cc1cc(C(=O)NC2(C#N)CCC2)cs1 ZINC000586756236 346056067 /nfs/dbraw/zinc/05/60/67/346056067.db2.gz UGTKYIAXQJKIDK-UHFFFAOYSA-N 0 0 220.297 2.233 10 30 BEEERN C#CCNc1ncc(C(F)(F)F)cc1F ZINC000066309315 187363320 /nfs/dbraw/zinc/36/33/20/187363320.db2.gz YKHNOHZPZFEPSO-UHFFFAOYSA-N 0 0 218.153 2.285 10 30 BEEERN C=C[C@H]([C@H](O)C(C)C)n1nnc2ccccc21 ZINC000005633435 187363925 /nfs/dbraw/zinc/36/39/25/187363925.db2.gz LSUIFBXNSAGFRG-DGCLKSJQSA-N 0 0 231.299 2.175 10 30 BEEERN CC[C@H](C#CC(=O)OC(C)(C)C)SC ZINC000685954650 537943082 /nfs/dbraw/zinc/94/30/82/537943082.db2.gz XTWDMYYTQYLKRG-SECBINFHSA-N 0 0 214.330 2.473 10 30 BEEERN CCc1csc(N2CCCC[C@H]2C=O)n1 ZINC000061895207 346174988 /nfs/dbraw/zinc/17/49/88/346174988.db2.gz ILJJPHHYCBJUDH-JTQLQIEISA-N 0 0 224.329 2.263 10 30 BEEERN Cc1ncc(C(=O)C2=COCCC2)s1 ZINC000235963918 346176146 /nfs/dbraw/zinc/17/61/46/346176146.db2.gz KYKZBGHSYLYPEA-UHFFFAOYSA-N 0 0 209.270 2.329 10 30 BEEERN N#Cc1ccccc1[C@@H]1NCCCS1 ZINC000236194738 346206246 /nfs/dbraw/zinc/20/62/46/346206246.db2.gz RQBWMTALNJCZCM-LLVKDONJSA-N 0 0 204.298 2.283 10 30 BEEERN CCCC(=O)NC(=S)Nc1ccc(C#N)cc1 ZINC000000502935 168545769 /nfs/dbraw/zinc/54/57/69/168545769.db2.gz VLXOQBJOIYMLNN-UHFFFAOYSA-N 0 0 247.323 2.171 10 30 BEEERN C#CCCC(=O)Nc1cnccc1Cl ZINC000236045657 346186601 /nfs/dbraw/zinc/18/66/01/346186601.db2.gz HCOJDJZKRLUYRI-UHFFFAOYSA-N 0 0 208.648 2.087 10 30 BEEERN N#Cc1nc(NCc2ccccc2)ccc1N ZINC000236380390 346231720 /nfs/dbraw/zinc/23/17/20/346231720.db2.gz BXTFSHQGYXVTLQ-UHFFFAOYSA-N 0 0 224.267 2.148 10 30 BEEERN N#C[C@]1(N)CCc2c1cccc2Br ZINC000236305228 346225322 /nfs/dbraw/zinc/22/53/22/346225322.db2.gz XFSXEOBTHQUPQI-SNVBAGLBSA-N 0 0 237.100 2.073 10 30 BEEERN C#CCC[C@H](O)c1ccoc1Br ZINC000236524186 346246006 /nfs/dbraw/zinc/24/60/06/346246006.db2.gz PUBXRDIYDMIGSY-QMMMGPOBSA-N 0 0 229.073 2.489 10 30 BEEERN C=C[C@@H](O)c1ccoc1Br ZINC000236548343 346248330 /nfs/dbraw/zinc/24/83/30/346248330.db2.gz MNNSNIDHBBPNPZ-ZCFIWIBFSA-N 0 0 203.035 2.262 10 30 BEEERN CCOC(=O)CC1([C@H]2CO2)CCCCC1 ZINC000675052593 537964323 /nfs/dbraw/zinc/96/43/23/537964323.db2.gz GOUMVCCMAAHQSN-SNVBAGLBSA-N 0 0 212.289 2.289 10 30 BEEERN SCCN1CCCOc2ccccc21 ZINC000159503243 346423210 /nfs/dbraw/zinc/42/32/10/346423210.db2.gz MXYFETHYUPXLQA-UHFFFAOYSA-N 0 0 209.314 2.205 10 30 BEEERN CC[C@H](CC#N)NC(=O)[C@H]1CCC[C@H]1C ZINC000300240600 346424005 /nfs/dbraw/zinc/42/40/05/346424005.db2.gz RLXUIBANPQDZJC-MXWKQRLJSA-N 0 0 208.305 2.231 10 30 BEEERN Cc1cccc(CNC(=O)C2(C#N)CCCC2)n1 ZINC000048550942 179086053 /nfs/dbraw/zinc/08/60/53/179086053.db2.gz YPIQBGVNTUKFSN-UHFFFAOYSA-N 0 0 243.310 2.090 10 30 BEEERN Cc1cccc(CN[C@@H]2CCC[C@@H]2C#N)n1 ZINC000054829134 179097835 /nfs/dbraw/zinc/09/78/35/179097835.db2.gz NFARZPDPJUAWSB-DGCLKSJQSA-N 0 0 215.300 2.172 10 30 BEEERN CN(c1ccccc1)c1ccc(N)c(C#N)n1 ZINC000034505083 346556397 /nfs/dbraw/zinc/55/63/97/346556397.db2.gz AGQYAANHKCOEBY-UHFFFAOYSA-N 0 0 224.267 2.303 10 30 BEEERN C[Si](C)(C)C#Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000202281769 346596501 /nfs/dbraw/zinc/59/65/01/346596501.db2.gz HQMMOSQFCNKPFQ-UHFFFAOYSA-N 0 0 234.331 2.406 10 30 BEEERN N#Cc1ncc(Cc2ccc(F)cc2)cc1N ZINC000585672661 346652415 /nfs/dbraw/zinc/65/24/15/346652415.db2.gz KAKNXSRGKZFCDJ-UHFFFAOYSA-N 0 0 227.242 2.265 10 30 BEEERN Cc1cccc(NC(=O)[C@@H](C)CC#N)c1 ZINC000049812391 179137920 /nfs/dbraw/zinc/13/79/20/179137920.db2.gz RFUKTSPAUSZQRH-JTQLQIEISA-N 0 0 202.257 2.483 10 30 BEEERN C[C@H](OS(C)(=O)=O)c1cccc(Cl)c1 ZINC000166233073 346668681 /nfs/dbraw/zinc/66/86/81/346668681.db2.gz PZKOKTYCTXJQIF-ZETCQYMHSA-N 0 0 234.704 2.377 10 30 BEEERN CCN(CC)C(=O)O/N=C/c1ccccc1 ZINC000001701597 346713399 /nfs/dbraw/zinc/71/33/99/346713399.db2.gz WTMHGXNAWTYNCT-JLHYYAGUSA-N 0 0 220.272 2.499 10 30 BEEERN Cc1cccc([C@@H](C#N)C(=O)[C@@H]2CCOC2)c1 ZINC000055332563 179177324 /nfs/dbraw/zinc/17/73/24/179177324.db2.gz AJYBBTQFOAJKLU-CHWSQXEVSA-N 0 0 229.279 2.208 10 30 BEEERN N#C[C@H](NC(=O)c1ccc2[nH]ccc2c1)C1CC1 ZINC000108840953 347207653 /nfs/dbraw/zinc/20/76/53/347207653.db2.gz JTLXXKOXXFAYEF-ZDUSSCGKSA-N 0 0 239.278 2.200 10 30 BEEERN CCOc1cc(C=NO)cc(Cl)c1O ZINC000250376019 362802237 /nfs/dbraw/zinc/80/22/37/362802237.db2.gz FZHAXCRPUUCZGC-UHFFFAOYSA-N 0 0 215.636 2.252 10 30 BEEERN C#CC(=O)Nc1ccc(Br)cc1F ZINC000036721998 347446238 /nfs/dbraw/zinc/44/62/38/347446238.db2.gz UKRPCXCNCGUXHW-UHFFFAOYSA-N 0 0 242.047 2.160 10 30 BEEERN Cc1ccccc1C1=CC(=O)C[C@](C)(O)C1 ZINC000040174944 179254793 /nfs/dbraw/zinc/25/47/93/179254793.db2.gz BHCXYMSHMNHMPO-CQSZACIVSA-N 0 0 216.280 2.492 10 30 BEEERN C=C[C@@H](NC1(C2CCC2)CCC1)C(=O)OC ZINC000590972762 347598534 /nfs/dbraw/zinc/59/85/34/347598534.db2.gz BNLYETXZPHZJRL-LLVKDONJSA-N 0 0 223.316 2.026 10 30 BEEERN Cc1cc(C#N)nc(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000591991376 347720925 /nfs/dbraw/zinc/72/09/25/347720925.db2.gz GCYHOROKBMGYFS-MVWJERBFSA-N 0 0 228.299 2.257 10 30 BEEERN N#CC1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC000196360476 347869841 /nfs/dbraw/zinc/86/98/41/347869841.db2.gz OZEALBBDQXKEKW-GOOCMWNKSA-N 0 0 242.322 2.190 10 30 BEEERN Cc1ccccc1N[C@H](C#N)[C@H]1CCOC1 ZINC000037937950 179306617 /nfs/dbraw/zinc/30/66/17/179306617.db2.gz WECMTHZMGVPCKL-WCQYABFASA-N 0 0 216.284 2.336 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000593504773 347907749 /nfs/dbraw/zinc/90/77/49/347907749.db2.gz YAXSVPQEPMEEOY-MBJXGIAVSA-N 0 0 244.338 2.397 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000593504772 347907866 /nfs/dbraw/zinc/90/78/66/347907866.db2.gz YAXSVPQEPMEEOY-ITGHMWBKSA-N 0 0 244.338 2.397 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1Sc1ncccn1 ZINC000037155933 348025558 /nfs/dbraw/zinc/02/55/58/348025558.db2.gz PFRLIESJGPOLME-IUCAKERBSA-N 0 0 205.286 2.261 10 30 BEEERN Cc1ccccc1[C@H](C#N)NC[C@H]1CCCO1 ZINC000037940039 179333170 /nfs/dbraw/zinc/33/31/70/179333170.db2.gz LTALABXGRDGUNO-OCCSQVGLSA-N 0 0 230.311 2.328 10 30 BEEERN Cc1cccnc1N=C1NC(=N)c2ccccc21 ZINC000040802563 179360247 /nfs/dbraw/zinc/36/02/47/179360247.db2.gz COUVSLNVTYICPU-UHFFFAOYSA-N 0 0 236.278 2.187 10 30 BEEERN C=CCNC(=O)N1CCCC[C@H]1C(C)C ZINC000117467659 348253271 /nfs/dbraw/zinc/25/32/71/348253271.db2.gz WAPMPQWETOSRCC-NSHDSACASA-N 0 0 210.321 2.393 10 30 BEEERN C=CCNC(=O)N1CCCC[C@@H]1C(C)C ZINC000117467661 348253521 /nfs/dbraw/zinc/25/35/21/348253521.db2.gz WAPMPQWETOSRCC-LLVKDONJSA-N 0 0 210.321 2.393 10 30 BEEERN COc1cncc(CN[C@H]2CCCC[C@H]2C#N)c1 ZINC000595687710 348313303 /nfs/dbraw/zinc/31/33/03/348313303.db2.gz DCRVQJSHCVXQQB-JSGCOSHPSA-N 0 0 245.326 2.262 10 30 BEEERN CCn1cc(CN[C@@H]2CCCC[C@H]2C#N)cn1 ZINC000595690339 348315917 /nfs/dbraw/zinc/31/59/17/348315917.db2.gz QLHDFARRURQOJF-QWHCGFSZSA-N 0 0 232.331 2.075 10 30 BEEERN C[C@@H](CC#N)N(C)[C@H]1CCCCCC1=O ZINC000251529169 362884892 /nfs/dbraw/zinc/88/48/92/362884892.db2.gz KAPCHTIBKIXPRR-QWRGUYRKSA-N 0 0 208.305 2.122 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)NCC1=CCCCC1 ZINC000333594057 538002143 /nfs/dbraw/zinc/00/21/43/538002143.db2.gz LNLWQDCFTRFEFE-STQMWFEESA-N 0 0 247.342 2.478 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)NCC1=CCCCC1 ZINC000333594056 538002182 /nfs/dbraw/zinc/00/21/82/538002182.db2.gz LNLWQDCFTRFEFE-QWHCGFSZSA-N 0 0 247.342 2.478 10 30 BEEERN CC1CC(C(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000597908317 348842206 /nfs/dbraw/zinc/84/22/06/348842206.db2.gz RGPFSNNVQDJJNR-CXQJBGSLSA-N 0 0 220.316 2.185 10 30 BEEERN CC[C@H](Nc1ccnc(C#N)n1)C(C)C ZINC000308863635 348979959 /nfs/dbraw/zinc/97/99/59/348979959.db2.gz QAVJGEKAFGOOOW-VIFPVBQESA-N 0 0 204.277 2.195 10 30 BEEERN Cc1cccc(O)c1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000599630217 349230869 /nfs/dbraw/zinc/23/08/69/349230869.db2.gz OWAVUHNWJFUESD-GHMZBOCLSA-N 0 0 244.294 2.123 10 30 BEEERN C=CC[C@H](O)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000059183155 349201917 /nfs/dbraw/zinc/20/19/17/349201917.db2.gz VWISHSNDVWDEGZ-ZJUUUORDSA-N 0 0 229.320 2.227 10 30 BEEERN C=CC[C@@H](O)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000059183154 349201999 /nfs/dbraw/zinc/20/19/99/349201999.db2.gz VWISHSNDVWDEGZ-NXEZZACHSA-N 0 0 229.320 2.227 10 30 BEEERN SCc1noc2c1COC21CCCC1 ZINC000725252169 538033863 /nfs/dbraw/zinc/03/38/63/538033863.db2.gz GTHBPUSAIINTKL-UHFFFAOYSA-N 0 0 211.286 2.404 10 30 BEEERN C=C[C@@H](COCc1ccccc1)OC(C)=O ZINC000060107403 349273977 /nfs/dbraw/zinc/27/39/77/349273977.db2.gz WISDYGSXRXTPNI-ZDUSSCGKSA-N 0 0 220.268 2.321 10 30 BEEERN Cc1ccc(C=Nn2cn[nH]c2=S)cc1 ZINC000035418243 190986753 /nfs/dbraw/zinc/98/67/53/190986753.db2.gz LCXITEGCINHTGW-SDQBBNPISA-N 0 0 218.285 2.131 10 30 BEEERN O=CC[C@@H](O)c1cccc2ccccc21 ZINC000159364907 350068570 /nfs/dbraw/zinc/06/85/70/350068570.db2.gz YWCLIGCWKWGWBI-CYBMUJFWSA-N 0 0 200.237 2.462 10 30 BEEERN COc1ccc(COCC(C)(C)C=O)cc1 ZINC000038221491 350112872 /nfs/dbraw/zinc/11/28/72/350112872.db2.gz LIGFTVUHBAHFJF-UHFFFAOYSA-N 0 0 222.284 2.437 10 30 BEEERN COc1ccc2c(c1)/C(=N/N(C)C)CCC2 ZINC000038917555 350114243 /nfs/dbraw/zinc/11/42/43/350114243.db2.gz BITNNDBYRQJCGN-BUHFOSPRSA-N 0 0 218.300 2.297 10 30 BEEERN COc1ccc(SC)c2c1C[C@@](N)(C#N)CC2 ZINC000038919295 350114286 /nfs/dbraw/zinc/11/42/86/350114286.db2.gz CDAKNABRRDMOJJ-CYBMUJFWSA-N 0 0 248.351 2.127 10 30 BEEERN O=CCCCCCN1C(=O)c2ccccc2C1=O ZINC000039250020 350114437 /nfs/dbraw/zinc/11/44/37/350114437.db2.gz AGIYKNXRSZKPGG-UHFFFAOYSA-N 0 0 245.278 2.042 10 30 BEEERN C#CC[C@@H](O[C@H]1CCCCO1)[C@@H](C)[C@H](O)C=C ZINC000039077051 350115361 /nfs/dbraw/zinc/11/53/61/350115361.db2.gz NZQSSDFMYCVZEN-DGAVXFQQSA-N 0 0 238.327 2.105 10 30 BEEERN CC(C)c1ccccc1OCC(=O)N[C@H](C)C#N ZINC000604544074 350149763 /nfs/dbraw/zinc/14/97/63/350149763.db2.gz QRABLEKQVYCISE-LLVKDONJSA-N 0 0 246.310 2.217 10 30 BEEERN Cc1oc2ccccc2c1[C@H](O)CC=O ZINC000159423731 350135401 /nfs/dbraw/zinc/13/54/01/350135401.db2.gz SPFCAJPCFYQBEP-SNVBAGLBSA-N 0 0 204.225 2.364 10 30 BEEERN C=C[C@@H](N[C@H](C)c1cccc(C)c1)C(=O)OC ZINC000304201327 350144283 /nfs/dbraw/zinc/14/42/83/350144283.db2.gz HOYOWPBHAFOMOV-DGCLKSJQSA-N 0 0 233.311 2.373 10 30 BEEERN CCO/C=C1/CCc2cnccc2C1=O ZINC000725257012 538059028 /nfs/dbraw/zinc/05/90/28/538059028.db2.gz FLHMVSNUGRFDMH-NTMALXAHSA-N 0 0 203.241 2.131 10 30 BEEERN Cc1nc2ccccc2n1[C@@H](C)C/C(N)=N/O ZINC000048258114 180104571 /nfs/dbraw/zinc/10/45/71/180104571.db2.gz QVXDMPUFQLSRKT-QMMMGPOBSA-N 0 0 232.287 2.042 10 30 BEEERN Cc1nc2sc(C)c(C)n2c1CC#N ZINC000036256609 180117331 /nfs/dbraw/zinc/11/73/31/180117331.db2.gz HISRBTCIHVDTKW-UHFFFAOYSA-N 0 0 205.286 2.387 10 30 BEEERN Cc1nccc(CN[C@@H]2CCCCC[C@H]2C#N)n1 ZINC000054825895 180190569 /nfs/dbraw/zinc/19/05/69/180190569.db2.gz IOTDFEVSZNPIIA-GXTWGEPZSA-N 0 0 244.342 2.347 10 30 BEEERN C=CCCOc1cc(Cl)ccc1C(N)=O ZINC000128794975 350224732 /nfs/dbraw/zinc/22/47/32/350224732.db2.gz BYMKLVSNQGUYRJ-UHFFFAOYSA-N 0 0 225.675 2.394 10 30 BEEERN Cc1ncsc1[C@@H](C)NC[C@H](C)C#N ZINC000054181419 180326447 /nfs/dbraw/zinc/32/64/47/180326447.db2.gz VBDCKHGCPATHJW-HTQZYQBOSA-N 0 0 209.318 2.262 10 30 BEEERN Cc1ncsc1[C@@H](C)NC[C@@H](C)C#N ZINC000054181415 180326973 /nfs/dbraw/zinc/32/69/73/180326973.db2.gz VBDCKHGCPATHJW-JGVFFNPUSA-N 0 0 209.318 2.262 10 30 BEEERN Cc1nn(C)c(C)c1[C@@H](C#N)NC1CCCC1 ZINC000037968565 180347692 /nfs/dbraw/zinc/34/76/92/180347692.db2.gz DTLAJXVEMANZOI-GFCCVEGCSA-N 0 0 232.331 2.134 10 30 BEEERN Cc1nn(C)c(NCCc2ccccc2)c1C#N ZINC000112392695 180358390 /nfs/dbraw/zinc/35/83/90/180358390.db2.gz HNSOIKJPPAAYCL-UHFFFAOYSA-N 0 0 240.310 2.255 10 30 BEEERN Cc1nn(C)c(Oc2ccc(CC#N)cc2)c1N ZINC000036749470 180361911 /nfs/dbraw/zinc/36/19/11/180361911.db2.gz WKQPQQOKKZHMKH-UHFFFAOYSA-N 0 0 242.282 2.169 10 30 BEEERN N#Cc1cnn(-c2ccc(Cl)c(F)c2)c1N ZINC000085938266 350496095 /nfs/dbraw/zinc/49/60/95/350496095.db2.gz FHUVKJXCHYDELH-UHFFFAOYSA-N 0 0 236.637 2.119 10 30 BEEERN Cc1nnc([C@@H](C)Nc2ccc(C#N)nc2)s1 ZINC000273505742 180442191 /nfs/dbraw/zinc/44/21/91/180442191.db2.gz PELSYBOBMWBKJX-SSDOTTSWSA-N 0 0 245.311 2.286 10 30 BEEERN N#Cc1ccc(N[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000309519496 350695651 /nfs/dbraw/zinc/69/56/51/350695651.db2.gz AZJUMFPHOBIMAL-CHWSQXEVSA-N 0 0 216.284 2.274 10 30 BEEERN COC(=O)N1CCC[C@@H]1c1ccccc1C#N ZINC000616608017 350802588 /nfs/dbraw/zinc/80/25/88/350802588.db2.gz RZWMMEYLOIHJDN-GFCCVEGCSA-N 0 0 230.267 2.462 10 30 BEEERN CC(=O)N1CCC[C@H]1c1cccc(C#N)c1 ZINC000616609638 350803741 /nfs/dbraw/zinc/80/37/41/350803741.db2.gz GUZQJJUJQFNEDG-ZDUSSCGKSA-N 0 0 214.268 2.242 10 30 BEEERN CC(=O)N1CCC[C@H]1c1ccc(C#N)cc1 ZINC000616610379 350808387 /nfs/dbraw/zinc/80/83/87/350808387.db2.gz PINCDRSWAZDIKP-ZDUSSCGKSA-N 0 0 214.268 2.242 10 30 BEEERN C[C@@H](C#N)N(C)Cc1coc(Br)c1 ZINC000306677438 350831260 /nfs/dbraw/zinc/83/12/60/350831260.db2.gz YVRMEXLQESXJEU-ZETCQYMHSA-N 0 0 243.104 2.386 10 30 BEEERN O=CC1(CC2CC(F)(F)C2)CCOCC1 ZINC000306735903 350905322 /nfs/dbraw/zinc/90/53/22/350905322.db2.gz WRTWFGZOJGSCAG-UHFFFAOYSA-N 0 0 218.243 2.418 10 30 BEEERN CC(=O)N1CCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616619265 350926515 /nfs/dbraw/zinc/92/65/15/350926515.db2.gz DQKCZGQLQOATFJ-CQSZACIVSA-N 0 0 228.295 2.284 10 30 BEEERN CC(=O)N1CCC(c2cccc(C#N)c2)CC1 ZINC000616619866 350928363 /nfs/dbraw/zinc/92/83/63/350928363.db2.gz SCTTTWWYIYCPMF-UHFFFAOYSA-N 0 0 228.295 2.284 10 30 BEEERN CO[C@H](C=O)c1csc(Br)c1 ZINC000306749842 350933878 /nfs/dbraw/zinc/93/38/78/350933878.db2.gz IECOVOXGEUEHDG-ZCFIWIBFSA-N 0 0 235.102 2.397 10 30 BEEERN N#Cc1cncc(Cl)c1OC(F)F ZINC000306718993 350877633 /nfs/dbraw/zinc/87/76/33/350877633.db2.gz JLCHDWUWTVHHIK-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C=CC(=O)c1cccc(C(=O)OCC)c1 ZINC000002579512 350894892 /nfs/dbraw/zinc/89/48/92/350894892.db2.gz YVQZEZSSWBEWRG-UHFFFAOYSA-N 0 0 204.225 2.232 10 30 BEEERN C#Cc1nc2sc3c(n2c1C)CCC3 ZINC000159736333 350989890 /nfs/dbraw/zinc/98/98/90/350989890.db2.gz JUWXJNASNNTJPX-UHFFFAOYSA-N 0 0 202.282 2.174 10 30 BEEERN C=C[C@@H](c1ccsc1)N1CCOCC1 ZINC000306767388 350996557 /nfs/dbraw/zinc/99/65/57/350996557.db2.gz CLDVKIRBBLDYJM-NSHDSACASA-N 0 0 209.314 2.307 10 30 BEEERN N#Cc1ccc([N+](=O)[O-])c(Br)c1F ZINC000306765282 351001435 /nfs/dbraw/zinc/00/14/35/351001435.db2.gz ZWQHNCOFWUEEHW-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN CC1(C)C[C@@H](Nc2cnc(C#N)cn2)C(C)(C)O1 ZINC000129206601 351009730 /nfs/dbraw/zinc/00/97/30/351009730.db2.gz MKDWTUDRUVUZPL-SNVBAGLBSA-N 0 0 246.314 2.106 10 30 BEEERN N#C[C@@]1(Cc2cncs2)CCCS1 ZINC000159809776 351003666 /nfs/dbraw/zinc/00/36/66/351003666.db2.gz BXKLKKPBLBJOHS-VIFPVBQESA-N 0 0 210.327 2.475 10 30 BEEERN CC(=O)N1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616620649 350945309 /nfs/dbraw/zinc/94/53/09/350945309.db2.gz RLWPXAJHFMVYMT-CQSZACIVSA-N 0 0 228.295 2.284 10 30 BEEERN C=C[C@@H](C)n1cc(Br)cn1 ZINC000052144514 350955556 /nfs/dbraw/zinc/95/55/56/350955556.db2.gz WGZINCWZHPNWDD-ZCFIWIBFSA-N 0 0 201.067 2.393 10 30 BEEERN Cc1cscc1NC(=O)[C@@H](C)S ZINC000306776547 351017949 /nfs/dbraw/zinc/01/79/49/351017949.db2.gz ZDKURRYMKWKWLA-ZCFIWIBFSA-N 0 0 201.316 2.313 10 30 BEEERN CCC[S@@](=O)Nc1ccccc1C#N ZINC000306792455 351042238 /nfs/dbraw/zinc/04/22/38/351042238.db2.gz DQZRTCMNXFEICO-CQSZACIVSA-N 0 0 208.286 2.044 10 30 BEEERN N#Cc1cccc([C@@H]2CCCN(C(N)=O)CC2)c1 ZINC000616626974 351106733 /nfs/dbraw/zinc/10/67/33/351106733.db2.gz BTVVOOJQALCCQH-GFCCVEGCSA-N 0 0 243.310 2.206 10 30 BEEERN CC(C)[C@H](C)NC(=O)c1ccc(C#N)cc1 ZINC000017055165 363006266 /nfs/dbraw/zinc/00/62/66/363006266.db2.gz ZEOYCQQVXFOXBB-JTQLQIEISA-N 0 0 216.284 2.333 10 30 BEEERN Cc1cc(Br)ncc1CC#N ZINC000306820578 351087713 /nfs/dbraw/zinc/08/77/13/351087713.db2.gz NDZVIISNUMYNLZ-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN C[C@H](CC#N)N(C)c1ccc(Cl)cn1 ZINC000063096011 351139494 /nfs/dbraw/zinc/13/94/94/351139494.db2.gz FNXRWSKWRJDXKR-MRVPVSSYSA-N 0 0 209.680 2.473 10 30 BEEERN COC(=O)c1cc(C#N)cc(Cl)c1F ZINC000306909072 351321933 /nfs/dbraw/zinc/32/19/33/351321933.db2.gz GEXREEWQIRHKOA-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN C[C@@]1(c2ccc(F)cc2)CC[C@@H](C=O)O1 ZINC000306872344 351268085 /nfs/dbraw/zinc/26/80/85/351268085.db2.gz UWUGODHNMRQOPU-RYUDHWBXSA-N 0 0 208.232 2.419 10 30 BEEERN C=C(Br)CNc1ccc(Cl)nn1 ZINC000168335985 351381017 /nfs/dbraw/zinc/38/10/17/351381017.db2.gz JIWDDSZQWFMENO-UHFFFAOYSA-N 0 0 248.511 2.451 10 30 BEEERN CSC[C@H]1CCCN(C2=CC(=O)CC2)C1 ZINC000306981699 351398647 /nfs/dbraw/zinc/39/86/47/351398647.db2.gz QKXZFFFKOCCIPS-JTQLQIEISA-N 0 0 225.357 2.308 10 30 BEEERN C#CCNc1ccnc(C(F)(F)F)c1 ZINC000307071596 351465693 /nfs/dbraw/zinc/46/56/93/351465693.db2.gz GSYZZKKNKJYGSS-UHFFFAOYSA-N 0 0 200.163 2.146 10 30 BEEERN Cc1ccc(C/C(N)=N/O)cc1Br ZINC000307041516 351443692 /nfs/dbraw/zinc/44/36/92/351443692.db2.gz KYQKBUMCGKVQSD-UHFFFAOYSA-N 0 0 243.104 2.046 10 30 BEEERN N#Cc1ccnc(N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000231902827 351451957 /nfs/dbraw/zinc/45/19/57/351451957.db2.gz HVVVNGMOZPZBDW-JQWIXIFHSA-N 0 0 228.299 2.117 10 30 BEEERN CCCc1nsc(C2(C#N)CCC2)n1 ZINC000307064595 351461716 /nfs/dbraw/zinc/46/17/16/351461716.db2.gz QFYGPHNIMKHSTH-UHFFFAOYSA-N 0 0 207.302 2.436 10 30 BEEERN CC[C@H]1CCC[C@H]1NC(=O)C#CBr ZINC000307126594 351491677 /nfs/dbraw/zinc/49/16/77/351491677.db2.gz IHYUDGXQMGRQLR-DTWKUNHWSA-N 0 0 244.132 2.037 10 30 BEEERN N#CC1(CO)CC(OCc2ccccc2F)C1 ZINC000606302089 351553499 /nfs/dbraw/zinc/55/34/99/351553499.db2.gz AXTWWROVFFMXRV-UHFFFAOYSA-N 0 0 235.258 2.007 10 30 BEEERN Cc1ccc(CC2CC(C#N)(CO)C2)cc1 ZINC000606302203 351554655 /nfs/dbraw/zinc/55/46/55/351554655.db2.gz IACAHTDXFYNRCF-UHFFFAOYSA-N 0 0 215.296 2.450 10 30 BEEERN CCOC(=O)C1(C=O)CC(CC2CCC2)C1 ZINC000606302190 351556649 /nfs/dbraw/zinc/55/66/49/351556649.db2.gz HJYPVARHFPUQIO-UHFFFAOYSA-N 0 0 224.300 2.335 10 30 BEEERN Cc1cccc(COC2CC(C#N)(CO)C2)c1 ZINC000606302823 351556778 /nfs/dbraw/zinc/55/67/78/351556778.db2.gz YJFUCPCXNBGFBT-UHFFFAOYSA-N 0 0 231.295 2.176 10 30 BEEERN Cc1ccc(CN[C@H]2CCC[C@H]2C#N)nc1 ZINC000088135424 351624845 /nfs/dbraw/zinc/62/48/45/351624845.db2.gz WPSPVOXUBUMMLE-AAEUAGOBSA-N 0 0 215.300 2.172 10 30 BEEERN C[C@]1(C=O)CC[C@]2(CCOC(C)(C)C2)O1 ZINC000307228359 351675927 /nfs/dbraw/zinc/67/59/27/351675927.db2.gz HWLRJPUGHMLOSI-VXGBXAGGSA-N 0 0 212.289 2.082 10 30 BEEERN CN1CCN([C@@H]2C=CCCCCC2)C[C@@H]1C#N ZINC000606432934 351745557 /nfs/dbraw/zinc/74/55/57/351745557.db2.gz SMIOSJVGBJETND-KGLIPLIRSA-N 0 0 233.359 2.015 10 30 BEEERN COC(=O)c1cc(Cl)cc(F)c1C#N ZINC000307274987 351829031 /nfs/dbraw/zinc/82/90/31/351829031.db2.gz PJNMMUZPZJVLES-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN C[C@@]1(O)CC(=O)C=C(c2cccc([N+](=O)[O-])c2)C1 ZINC000040174914 351930159 /nfs/dbraw/zinc/93/01/59/351930159.db2.gz SYTFHZIATWORIQ-ZDUSSCGKSA-N 0 0 247.250 2.092 10 30 BEEERN C#Cc1cccc(N[C@H](C)C(=O)N[C@H](C)CC)c1 ZINC000020369655 187544891 /nfs/dbraw/zinc/54/48/91/187544891.db2.gz NZRUZBOAUHBOSG-VXGBXAGGSA-N 0 0 244.338 2.383 10 30 BEEERN N#Cc1cc(NCCO)nc2ccc(Cl)cc12 ZINC000301739062 187546208 /nfs/dbraw/zinc/54/62/08/187546208.db2.gz SUQHFKDDYMSIPA-UHFFFAOYSA-N 0 0 247.685 2.164 10 30 BEEERN CC[C@@H](S)C(=O)N1CCS[C@H](C)CC1 ZINC000307311555 351987606 /nfs/dbraw/zinc/98/76/06/351987606.db2.gz ALQKEOJQAPONMA-RKDXNWHRSA-N 0 0 233.402 2.049 10 30 BEEERN N#Cc1cc(F)ccc1N1CCCC[C@H](CO)C1 ZINC000374105141 187562008 /nfs/dbraw/zinc/56/20/08/187562008.db2.gz HIRLGKMVTFMTSZ-NSHDSACASA-N 0 0 248.301 2.296 10 30 BEEERN COc1ccc(C[C@](C)(C#N)N(C)C)cc1 ZINC000041231502 187602540 /nfs/dbraw/zinc/60/25/40/187602540.db2.gz KRGSUTGHROAVCF-CYBMUJFWSA-N 0 0 218.300 2.082 10 30 BEEERN CC(C)(C)c1cccc(OC/C(N)=N/O)c1 ZINC000037428862 187596796 /nfs/dbraw/zinc/59/67/96/187596796.db2.gz PJXMBEWLERQSDP-UHFFFAOYSA-N 0 0 222.288 2.109 10 30 BEEERN C=C(C)n1c2ccccc2n(CC)c1=O ZINC000003161490 187613396 /nfs/dbraw/zinc/61/33/96/187613396.db2.gz JPBPFBJUSUOONR-UHFFFAOYSA-N 0 0 202.257 2.314 10 30 BEEERN Cn1c(C#N)ccc1-c1ccc(N)c(F)c1 ZINC000034603832 187668962 /nfs/dbraw/zinc/66/89/62/187668962.db2.gz OGFHZLPBRQKMLY-UHFFFAOYSA-N 0 0 215.231 2.285 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000044765710 352393120 /nfs/dbraw/zinc/39/31/20/352393120.db2.gz BRDSESPQYDBNRT-WDEREUQCSA-N 0 0 238.331 2.000 10 30 BEEERN CC[C@H](C#N)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000044825340 352442766 /nfs/dbraw/zinc/44/27/66/352442766.db2.gz KATAWVIAWJPSQU-VHSXEESVSA-N 0 0 220.272 2.315 10 30 BEEERN C[C@]1(Cc2ccco2)CCC[C@@H](C=O)O1 ZINC000307366928 352453433 /nfs/dbraw/zinc/45/34/33/352453433.db2.gz NUIAHGIHMSHSPZ-NWDGAFQWSA-N 0 0 208.257 2.349 10 30 BEEERN C=C(Br)COC1CCC(=O)CC1 ZINC000164160196 352558536 /nfs/dbraw/zinc/55/85/36/352558536.db2.gz KQVXQEBOSORVKA-UHFFFAOYSA-N 0 0 233.105 2.423 10 30 BEEERN CO[C@H](C=O)c1cscc1Br ZINC000307410727 352587510 /nfs/dbraw/zinc/58/75/10/352587510.db2.gz QXPCIIHPFZKZHG-SSDOTTSWSA-N 0 0 235.102 2.397 10 30 BEEERN CO[C@@H](CCC#N)c1cccc(C=O)c1 ZINC000498036546 352569971 /nfs/dbraw/zinc/56/99/71/352569971.db2.gz KNTZODZEYWMQGO-LBPRGKRZSA-N 0 0 203.241 2.490 10 30 BEEERN CC[C@H](S)C(=O)Nc1ccccc1F ZINC000307400636 352574431 /nfs/dbraw/zinc/57/44/31/352574431.db2.gz HLODOZKONQQBAN-VIFPVBQESA-N 0 0 213.277 2.473 10 30 BEEERN C[C@@H]1C[C@@](C#N)(NCc2ccccc2)[C@@H](C)O1 ZINC000307551695 352648522 /nfs/dbraw/zinc/64/85/22/352648522.db2.gz ZHKSXFZRNQWLGU-BZPMIXESSA-N 0 0 230.311 2.236 10 30 BEEERN N#CCc1cnc(F)cc1C(F)(F)F ZINC000307527045 352634833 /nfs/dbraw/zinc/63/48/33/352634833.db2.gz IXHNMPWBJIDTSS-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN C[C@H]1CCC[C@@H](NC(=O)C#CBr)C1 ZINC000307530807 352638226 /nfs/dbraw/zinc/63/82/26/352638226.db2.gz RVLPSWJWWGPSHN-DTWKUNHWSA-N 0 0 244.132 2.037 10 30 BEEERN N#CCNc1ccc(C#N)cc1Br ZINC000232482301 352746894 /nfs/dbraw/zinc/74/68/94/352746894.db2.gz XDYDSJXVXJDATP-UHFFFAOYSA-N 0 0 236.072 2.256 10 30 BEEERN Cc1n[nH]c(C)c1C(=O)N(CCC#N)CC(C)C ZINC000037842066 187941968 /nfs/dbraw/zinc/94/19/68/187941968.db2.gz HVODPABMKHFBRV-UHFFFAOYSA-N 0 0 248.330 2.038 10 30 BEEERN CN/N=C(/C)c1cc(Br)ccc1O ZINC000306746508 353037237 /nfs/dbraw/zinc/03/72/37/353037237.db2.gz DRWAKSZBADOESI-SDQBBNPISA-N 0 0 243.104 2.098 10 30 BEEERN CC[C@@H](CC#N)Nc1ccnc(Cl)n1 ZINC000306258149 353000216 /nfs/dbraw/zinc/00/02/16/353000216.db2.gz ZLDZLFPVXHJBRY-ZETCQYMHSA-N 0 0 210.668 2.234 10 30 BEEERN Cc1cc(C(=O)NCCS)c(C)s1 ZINC000306318767 353003799 /nfs/dbraw/zinc/00/37/99/353003799.db2.gz SKWYXLALSCKBTA-UHFFFAOYSA-N 0 0 215.343 2.025 10 30 BEEERN C#C[C@@H](Nc1nsnc1Cl)C(C)C ZINC000300957549 363200844 /nfs/dbraw/zinc/20/08/44/363200844.db2.gz QNEYECWLOLNHBT-ZCFIWIBFSA-N 0 0 215.709 2.261 10 30 BEEERN CC(=O)Nc1ccc([C@H](C)C#N)cc1[N+](=O)[O-] ZINC000095934869 187974742 /nfs/dbraw/zinc/97/47/42/187974742.db2.gz BARXMUDXRCAMLP-SSDOTTSWSA-N 0 0 233.227 2.180 10 30 BEEERN CCn1cc(C#N)c(=O)c2cc(F)cc(F)c21 ZINC000072237085 187960795 /nfs/dbraw/zinc/96/07/95/187960795.db2.gz URQIRHPOJVZTHL-UHFFFAOYSA-N 0 0 234.205 2.171 10 30 BEEERN CC(=O)CC[C@@H]1C(=O)[C@H]([C@@H](C)C=O)CC[C@H]1C ZINC000077312107 187965939 /nfs/dbraw/zinc/96/59/39/187965939.db2.gz RTBJZMMNKXQFDB-URBCHYCLSA-N 0 0 238.327 2.422 10 30 in-vitro BEEERN N#Cc1cc(Cl)cnc1OC(F)F ZINC000307116737 353056116 /nfs/dbraw/zinc/05/61/16/353056116.db2.gz OYRUJCZCCSBJMZ-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN N/C(=N\O)Nc1cccc(Cl)c1Cl ZINC000052833364 353109172 /nfs/dbraw/zinc/10/91/72/353109172.db2.gz MKQZXIMDOKSRMC-UHFFFAOYSA-N 0 0 220.059 2.109 10 30 BEEERN N#CCc1cn2cccc(Br)c2n1 ZINC000082695848 188007414 /nfs/dbraw/zinc/00/74/14/188007414.db2.gz UIPWNIVABXVTPS-UHFFFAOYSA-N 0 0 236.072 2.163 10 30 BEEERN CC(C)(C)OC(=O)N=C(N)c1ccc(F)cc1 ZINC000082549131 188007557 /nfs/dbraw/zinc/00/75/57/188007557.db2.gz OPTGUCKIWKHZLO-UHFFFAOYSA-N 0 0 238.262 2.466 10 30 BEEERN CC(C)C[C@H](C)Nc1nccnc1C#N ZINC000054377242 188008005 /nfs/dbraw/zinc/00/80/05/188008005.db2.gz XKBHOKRQDLANOG-VIFPVBQESA-N 0 0 204.277 2.195 10 30 BEEERN Cc1ccc(SCC[C@@H](N)C#N)cc1 ZINC000062453223 188013190 /nfs/dbraw/zinc/01/31/90/188013190.db2.gz KYXMEFVRSNARNR-SNVBAGLBSA-N 0 0 206.314 2.328 10 30 BEEERN CC(C)CCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232577261 353135637 /nfs/dbraw/zinc/13/56/37/353135637.db2.gz VUUGDFHARRDRHF-UHFFFAOYSA-N 0 0 234.259 2.319 10 30 BEEERN C=C[C@H](CC(C)=O)NC(=O)OC(C)(C)C ZINC000072482001 188047791 /nfs/dbraw/zinc/04/77/91/188047791.db2.gz XXPVWVGCPAOPPY-SECBINFHSA-N 0 0 213.277 2.045 10 30 BEEERN C#Cc1ccc(OC)cc1[Si](C)(C)C ZINC000195962772 188050830 /nfs/dbraw/zinc/05/08/30/188050830.db2.gz OURLCJWUYXMJAO-UHFFFAOYSA-N 0 0 204.345 2.222 10 30 BEEERN C=C[C@H]([C@@H](O)C(C)C)n1nnc2ccccc21 ZINC000005633379 188051623 /nfs/dbraw/zinc/05/16/23/188051623.db2.gz LSUIFBXNSAGFRG-YPMHNXCESA-N 0 0 231.299 2.175 10 30 BEEERN C#C[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000166442745 188052013 /nfs/dbraw/zinc/05/20/13/188052013.db2.gz HWQZQWMFSUFOSM-VHSXEESVSA-N 0 0 219.284 2.073 10 30 BEEERN C=CCNC(=O)CNc1ccc(F)c(Cl)c1 ZINC000032100726 166370294 /nfs/dbraw/zinc/37/02/94/166370294.db2.gz VCOXQMZODDSVPO-UHFFFAOYSA-N 0 0 242.681 2.193 10 30 BEEERN C=C[C@@](C)(CC)C(=O)NCC[C@H]1CCCO1 ZINC000134921546 538114063 /nfs/dbraw/zinc/11/40/63/538114063.db2.gz HAPZJOZIDMYCIK-YPMHNXCESA-N 0 0 225.332 2.274 10 30 BEEERN C[Si](C)(C)C#C[C@@H](O)Cc1ccccc1 ZINC000169981553 188251845 /nfs/dbraw/zinc/25/18/45/188251845.db2.gz HBSGOYLLGQWALH-CYBMUJFWSA-N 0 0 218.372 2.471 10 30 BEEERN C#CC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000037184829 188255455 /nfs/dbraw/zinc/25/54/55/188255455.db2.gz WWFUQDMFLSGVDO-UHFFFAOYSA-N 0 0 203.285 2.197 10 30 BEEERN C/C=C/[C@@H](C#N)OC(=O)c1ccccc1 ZINC000035940158 188278930 /nfs/dbraw/zinc/27/89/30/188278930.db2.gz YGJSVQRYJBJAIT-GSQGTZRGSA-N 0 0 201.225 2.312 10 30 BEEERN C/C(=N\O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000019488257 188281158 /nfs/dbraw/zinc/28/11/58/188281158.db2.gz JFMMUTVRPBIFKR-KMHUVPDISA-N 0 0 248.282 2.002 10 30 BEEERN CC(=O)Nc1cccc(NCCCC#N)c1 ZINC000020049826 188282181 /nfs/dbraw/zinc/28/21/81/188282181.db2.gz NMLMDYPAXUWUBU-UHFFFAOYSA-N 0 0 217.272 2.361 10 30 BEEERN N#C[C@@]1(NC2CCCC2)COc2cc(O)ccc21 ZINC000037968434 188289231 /nfs/dbraw/zinc/28/92/31/188289231.db2.gz RYSMEMOTHLZEAX-CQSZACIVSA-N 0 0 244.294 2.036 10 30 BEEERN CC(=O)Nc1ccc([C@H](C#N)NCC2CC2)cc1 ZINC000037946800 188289333 /nfs/dbraw/zinc/28/93/33/188289333.db2.gz XPNMLWJRXKKDSP-AWEZNQCLSA-N 0 0 243.310 2.209 10 30 BEEERN CCCn1nccc1CN[C@H]1CCC[C@@H]1C#N ZINC000160141157 353299857 /nfs/dbraw/zinc/29/98/57/353299857.db2.gz NPPHZSDLNABRTH-YPMHNXCESA-N 0 0 232.331 2.075 10 30 BEEERN C=C(C)C(=O)CCNC(=O)OC(C)(C)C ZINC000039093725 188291014 /nfs/dbraw/zinc/29/10/14/188291014.db2.gz CMWFQSBROFENEO-UHFFFAOYSA-N 0 0 213.277 2.046 10 30 BEEERN Cc1nnc(Sc2ccc(N)cc2C#N)s1 ZINC000041021817 188292933 /nfs/dbraw/zinc/29/29/33/188292933.db2.gz ZTEBXULIKZPVES-UHFFFAOYSA-N 0 0 248.336 2.452 10 30 BEEERN Cc1cccc(CCNC(=O)[C@H](C#N)C(C)C)c1 ZINC000051671097 188299553 /nfs/dbraw/zinc/29/95/53/188299553.db2.gz YTPJSNVPYGJHEF-CQSZACIVSA-N 0 0 244.338 2.450 10 30 BEEERN N#CCCNc1cc(F)c(F)c(F)c1 ZINC000061096108 188302325 /nfs/dbraw/zinc/30/23/25/188302325.db2.gz ZFHVOKSKODFKSX-UHFFFAOYSA-N 0 0 200.163 2.429 10 30 BEEERN N#Cc1ccc(-c2nnc3ccccn32)cc1 ZINC000075873051 188308497 /nfs/dbraw/zinc/30/84/97/188308497.db2.gz VNGXHJRHLPDRSK-UHFFFAOYSA-N 0 0 220.235 2.268 10 30 BEEERN N#Cc1cnc(Br)cc1OC1CC1 ZINC000095736338 188320639 /nfs/dbraw/zinc/32/06/39/188320639.db2.gz WQJFFVUSGPIPLF-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN CC(C)C[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC000126041470 188314938 /nfs/dbraw/zinc/31/49/38/188314938.db2.gz SQLSMEIIMZDHND-LLVKDONJSA-N 0 0 230.315 2.221 10 30 BEEERN CC(=O)Oc1ccc2nc(C#N)sc2c1 ZINC000045237767 188325883 /nfs/dbraw/zinc/32/58/83/188325883.db2.gz RRVAKBQPPFCPKC-UHFFFAOYSA-N 0 0 218.237 2.093 10 30 BEEERN CC(=O)C=C(O)C=Cc1ccc(O)c(O)c1 ZINC000100868074 188334618 /nfs/dbraw/zinc/33/46/18/188334618.db2.gz QDVIEIMMEUCFMW-QXYPORFMSA-N 0 0 220.224 2.142 10 30 biogenic,in-vitro BEEERN Cc1cnc(-n2c3ccccc3nc2CC#N)nc1 ZINC000104336289 188336531 /nfs/dbraw/zinc/33/65/31/188336531.db2.gz NFQCWOPWUGGSRF-UHFFFAOYSA-N 0 0 249.277 2.190 10 30 BEEERN C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@H](O)CCC(=C)[C@H]3C[C@H]12 ZINC000031165903 188357532 /nfs/dbraw/zinc/35/75/32/188357532.db2.gz GAUPAOVCTWBVKC-FTQJZPFOSA-N 0 0 248.322 2.211 10 30 biogenic,in-vitro BEEERN CC(C)(C)OC(=O)c1ccc(C#CCCO)cc1 ZINC000090729179 353393419 /nfs/dbraw/zinc/39/34/19/353393419.db2.gz BUPYFNSLTQNVOB-UHFFFAOYSA-N 0 0 246.306 2.376 10 30 BEEERN C=C(C)COCCNC(=O)NCC1(C)CCC1 ZINC000131912888 353376122 /nfs/dbraw/zinc/37/61/22/353376122.db2.gz FUHLXFZIQFGZOB-UHFFFAOYSA-N 0 0 240.347 2.069 10 30 BEEERN Cc1cnc(NC(=O)[C@@H]2CCCO[C@H]2C)o1 ZINC000330113521 538116913 /nfs/dbraw/zinc/11/69/13/538116913.db2.gz DAEIOZJKHRZGLV-DTWKUNHWSA-N 0 0 224.260 2.386 10 30 BEEERN C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000134076600 353458383 /nfs/dbraw/zinc/45/83/83/353458383.db2.gz HPGSOCHCPIQCKC-CHWSQXEVSA-N 0 0 247.313 2.286 10 30 BEEERN CC(C)[C@H](C)Sc1cnc(C#N)cn1 ZINC000125943983 188401233 /nfs/dbraw/zinc/40/12/33/188401233.db2.gz OLSODJUHDJOELV-QMMMGPOBSA-N 0 0 207.302 2.485 10 30 BEEERN C=CCCCN(C)C(=O)[C@H](C)Oc1cccnc1 ZINC000135094113 353526745 /nfs/dbraw/zinc/52/67/45/353526745.db2.gz XIHLZXJBOQMLAN-LBPRGKRZSA-N 0 0 248.326 2.274 10 30 BEEERN C=CCCCN(C)C(=O)c1scnc1C ZINC000135101720 353527855 /nfs/dbraw/zinc/52/78/55/353527855.db2.gz WJPOGTHYGZJIRV-UHFFFAOYSA-N 0 0 224.329 2.490 10 30 BEEERN CC#CCNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000135390014 353558991 /nfs/dbraw/zinc/55/89/91/353558991.db2.gz SIECBCMCAQRGEK-KBPBESRZSA-N 0 0 242.322 2.113 10 30 BEEERN COc1ccc(/C=C(/C)C(C)=O)cc1O ZINC000231745341 353649907 /nfs/dbraw/zinc/64/99/07/353649907.db2.gz PASKXNKSLNZYLD-VURMDHGXSA-N 0 0 206.241 2.393 10 30 BEEERN C=C[C@H](NN)c1cc(F)cc(Br)c1 ZINC000097579935 353736764 /nfs/dbraw/zinc/73/67/64/353736764.db2.gz MGESYDHWUSXAHR-VIFPVBQESA-N 0 0 245.095 2.279 10 30 BEEERN Cc1c(C#N)cccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000178372426 366117994 /nfs/dbraw/zinc/11/79/94/366117994.db2.gz SWGANIAAIXYAAB-ZANVPECISA-N 0 0 244.294 2.373 10 30 BEEERN N#CC1(NC(=O)c2ccnc(Cl)c2)CCCC1 ZINC000122055074 181030865 /nfs/dbraw/zinc/03/08/65/181030865.db2.gz QIZPTBACHQJIKE-UHFFFAOYSA-N 0 0 249.701 2.301 10 30 BEEERN N#CC1(NCc2ccncc2)CCCC1 ZINC000020177835 181030980 /nfs/dbraw/zinc/03/09/80/181030980.db2.gz WLLAZUVIHQBTDO-UHFFFAOYSA-N 0 0 201.273 2.008 10 30 BEEERN N#CC1(CN2CCOCC3(CCC3)C2)CCC1 ZINC000336264247 181028702 /nfs/dbraw/zinc/02/87/02/181028702.db2.gz YUDRBJKUJPZCAU-UHFFFAOYSA-N 0 0 234.343 2.183 10 30 BEEERN N#CC1(NC(=O)Cc2ccc(F)cc2)CCCC1 ZINC000040215064 181029780 /nfs/dbraw/zinc/02/97/80/181029780.db2.gz PSQOEENBIZFVQV-UHFFFAOYSA-N 0 0 246.285 2.321 10 30 BEEERN N#CC1(NC(=O)c2cc(Cl)c[nH]2)CCCC1 ZINC000122045967 181030045 /nfs/dbraw/zinc/03/00/45/181030045.db2.gz CWPFVBJGCDKNAP-UHFFFAOYSA-N 0 0 237.690 2.234 10 30 BEEERN N#CCNCc1ccc(Br)cc1 ZINC000042238841 181043413 /nfs/dbraw/zinc/04/34/13/181043413.db2.gz NXOGDQXXGUKCDP-UHFFFAOYSA-N 0 0 225.089 2.062 10 30 BEEERN CSC(=NC#N)N(C)C1CCCCC1 ZINC000250489137 363280042 /nfs/dbraw/zinc/28/00/42/363280042.db2.gz XMOVSIZTKLMRIX-UHFFFAOYSA-N 0 0 211.334 2.451 10 30 BEEERN N#CCc1nc(Cl)c2ccccc2n1 ZINC000075603861 181049559 /nfs/dbraw/zinc/04/95/59/181049559.db2.gz PUMAQQGCNCMDSZ-UHFFFAOYSA-N 0 0 203.632 2.349 10 30 BEEERN N#CCc1noc(-c2cccc3[nH]ccc32)n1 ZINC000073641379 181050686 /nfs/dbraw/zinc/05/06/86/181050686.db2.gz ORCGKZHEAXMUNG-UHFFFAOYSA-N 0 0 224.223 2.284 10 30 BEEERN N#C[C@@H](NCCO)c1csc2ccccc12 ZINC000054465084 181057545 /nfs/dbraw/zinc/05/75/45/181057545.db2.gz YDKPGMPFBFSSTH-LLVKDONJSA-N 0 0 232.308 2.048 10 30 BEEERN N#C[C@@H](NCc1cccs1)C1CCOCC1 ZINC000052178779 181057289 /nfs/dbraw/zinc/05/72/89/181057289.db2.gz HTWCJNFTKOMQJH-GFCCVEGCSA-N 0 0 236.340 2.156 10 30 BEEERN N#C[C@@H](N)CSc1ccc(Cl)cc1 ZINC000045333702 181056442 /nfs/dbraw/zinc/05/64/42/181056442.db2.gz JKEOQYZEXAZKPL-MRVPVSSYSA-N 0 0 212.705 2.283 10 30 BEEERN N#C[C@@H](N)c1cc(Br)cs1 ZINC000041677444 181056716 /nfs/dbraw/zinc/05/67/16/181056716.db2.gz YYOCKWAPHJKMSC-RXMQYKEDSA-N 0 0 217.091 2.034 10 30 BEEERN N#C[C@@H](NCCO)c1cc(Cl)cc(Cl)c1 ZINC000053708073 181057042 /nfs/dbraw/zinc/05/70/42/181057042.db2.gz DMKUKABBBMCTSE-SNVBAGLBSA-N 0 0 245.109 2.140 10 30 BEEERN N#C[C@H](CCc1ccccc1)NC[C@@H]1CCCO1 ZINC000061625263 181063271 /nfs/dbraw/zinc/06/32/71/181063271.db2.gz OFDRUMKALZNRNV-GJZGRUSLSA-N 0 0 244.338 2.280 10 30 BEEERN N#C[C@H](CN1CCCC1)c1ccccc1 ZINC000041210344 181063733 /nfs/dbraw/zinc/06/37/33/181063733.db2.gz ZWLLCUZGJVIWAB-CYBMUJFWSA-N 0 0 200.285 2.390 10 30 BEEERN N#C[C@H](CO)Cc1c(F)cccc1Cl ZINC000063064203 181063744 /nfs/dbraw/zinc/06/37/44/181063744.db2.gz RVMBUIDRNPFHJA-SSDOTTSWSA-N 0 0 213.639 2.154 10 30 BEEERN N#C[C@H](N)CCSc1nc2ccccc2o1 ZINC000062455445 181064368 /nfs/dbraw/zinc/06/43/68/181064368.db2.gz FBLXWDSAZPCPKR-MRVPVSSYSA-N 0 0 233.296 2.161 10 30 BEEERN N#C[C@H](N)CSc1ccc(Cl)cc1 ZINC000045333703 181064419 /nfs/dbraw/zinc/06/44/19/181064419.db2.gz JKEOQYZEXAZKPL-QMMMGPOBSA-N 0 0 212.705 2.283 10 30 BEEERN N#C[C@H](N)CCSc1ccc(F)cc1 ZINC000062453854 181064799 /nfs/dbraw/zinc/06/47/99/181064799.db2.gz DFRRQIZGRHLZGS-SECBINFHSA-N 0 0 210.277 2.159 10 30 BEEERN N#C[C@H](N)CSc1cccc(Cl)c1 ZINC000054186243 181064865 /nfs/dbraw/zinc/06/48/65/181064865.db2.gz LVUMCAVEKZMXBT-QMMMGPOBSA-N 0 0 212.705 2.283 10 30 BEEERN N#C[C@H](N)CCSc1ccc(F)c(F)c1 ZINC000062451848 181065200 /nfs/dbraw/zinc/06/52/00/181065200.db2.gz XZGSUBLCXQXILI-SSDOTTSWSA-N 0 0 228.267 2.298 10 30 BEEERN N#C[C@H](NCC1CC1)c1ccc2c(c1)CCO2 ZINC000037946985 181065678 /nfs/dbraw/zinc/06/56/78/181065678.db2.gz MTHKMFCSZDBTMK-ZDUSSCGKSA-N 0 0 228.295 2.186 10 30 BEEERN N#C[C@H](NC[C@@H]1CCCO1)c1cccs1 ZINC000041671864 181065808 /nfs/dbraw/zinc/06/58/08/181065808.db2.gz YRAYHNNJJXTVMA-UWVGGRQHSA-N 0 0 222.313 2.081 10 30 BEEERN N#C[C@H](Nc1ccccc1)[C@@H]1CCOC1 ZINC000037935290 181065860 /nfs/dbraw/zinc/06/58/60/181065860.db2.gz HPQIGAKDKOJGIG-PWSUYJOCSA-N 0 0 202.257 2.027 10 30 BEEERN N#C[C@H](NCC(F)(F)F)c1cccc(O)c1 ZINC000037971059 181066246 /nfs/dbraw/zinc/06/62/46/181066246.db2.gz ZPGIPFMTSNYRNT-VIFPVBQESA-N 0 0 230.189 2.109 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC000054824197 181059132 /nfs/dbraw/zinc/05/91/32/181059132.db2.gz KGJULSQCNKTWSC-WCQYABFASA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000061892537 181059795 /nfs/dbraw/zinc/05/97/95/181059795.db2.gz PZBOAHROCBIZQW-KBPBESRZSA-N 0 0 242.322 2.403 10 30 BEEERN N#C[C@@H]1CCC[C@@H]2OC[C@H](c3ccccc3)N21 ZINC000035127993 181060068 /nfs/dbraw/zinc/06/00/68/181060068.db2.gz GQHMNZGZXHZLEN-MJBXVCDLSA-N 0 0 228.295 2.462 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000061674847 181060203 /nfs/dbraw/zinc/06/02/03/181060203.db2.gz HOJJPSYIJPSNTN-RYUDHWBXSA-N 0 0 244.294 2.197 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000061674846 181061024 /nfs/dbraw/zinc/06/10/24/181061024.db2.gz HOJJPSYIJPSNTN-NWDGAFQWSA-N 0 0 244.294 2.197 10 30 BEEERN N#C[C@H](C(=O)[C@H]1CCCOC1)c1ccc(F)cc1 ZINC000062235924 181063001 /nfs/dbraw/zinc/06/30/01/181063001.db2.gz BWSHQTOOQFLAGX-AAEUAGOBSA-N 0 0 247.269 2.429 10 30 BEEERN N#C[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000011893940 181068100 /nfs/dbraw/zinc/06/81/00/181068100.db2.gz KCUZQJSZQKPSDT-SECBINFHSA-N 0 0 234.686 2.212 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000336415287 181068481 /nfs/dbraw/zinc/06/84/81/181068481.db2.gz SKYUTBSJRLBVGU-APPZFPTMSA-N 0 0 237.690 2.090 10 30 BEEERN N#Cc1cc(Br)cc2c[nH]nc21 ZINC000089197201 181081627 /nfs/dbraw/zinc/08/16/27/181081627.db2.gz VGFVLTUHQNORHA-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN N#Cc1c(F)cccc1NC[C@@H]1[C@H]2COC[C@H]21 ZINC000367735239 181076508 /nfs/dbraw/zinc/07/65/08/181076508.db2.gz XUZDPYLFEUMGAH-RTCCRHLQSA-N 0 0 232.258 2.002 10 30 BEEERN N#Cc1cc(C2CC2)nc(Cl)c1C#N ZINC000066088005 181085041 /nfs/dbraw/zinc/08/50/41/181085041.db2.gz IEUIEBZUHYSOLH-UHFFFAOYSA-N 0 0 203.632 2.356 10 30 BEEERN N#Cc1cc(Cl)cc2sc(N)nc21 ZINC000045237404 181086325 /nfs/dbraw/zinc/08/63/25/181086325.db2.gz BMOGEXWSZXVKOJ-UHFFFAOYSA-N 0 0 209.661 2.404 10 30 BEEERN N#Cc1cc(F)ccc1N[C@@H]1CCCC[C@@H]1O ZINC000111026837 181088420 /nfs/dbraw/zinc/08/84/20/181088420.db2.gz SFIFQJLKJUJALB-OLZOCXBDSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1cc2ccc(Br)cc2[nH]c1=O ZINC000011956406 181093928 /nfs/dbraw/zinc/09/39/28/181093928.db2.gz IHUDYFZFNNJICE-UHFFFAOYSA-N 0 0 249.067 2.162 10 30 BEEERN N#Cc1cc(N)cnc1NCCc1ccccc1 ZINC000037758891 181088961 /nfs/dbraw/zinc/08/89/61/181088961.db2.gz CHLHBIJGIMVMQA-UHFFFAOYSA-N 0 0 238.294 2.190 10 30 BEEERN N#Cc1cc(N)ccc1Oc1nccs1 ZINC000042410868 181088991 /nfs/dbraw/zinc/08/89/91/181088991.db2.gz GQOCRHHJRRQBCE-UHFFFAOYSA-N 0 0 217.253 2.389 10 30 BEEERN N#Cc1cc(N)cnc1NC1CCCCC1 ZINC000037758843 181089061 /nfs/dbraw/zinc/08/90/61/181089061.db2.gz XRVBUNNYGPUBHX-UHFFFAOYSA-N 0 0 216.288 2.280 10 30 BEEERN N#Cc1cc(N)cnc1N1CCCCCCC1 ZINC000037758834 181089628 /nfs/dbraw/zinc/08/96/28/181089628.db2.gz ZHYXXPGCBROEFS-UHFFFAOYSA-N 0 0 230.315 2.306 10 30 BEEERN N#Cc1cc(N)cnc1Oc1ccccc1 ZINC000037759265 181089762 /nfs/dbraw/zinc/08/97/62/181089762.db2.gz VDBAFDNFOMENFP-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1cc(N)cnc1Sc1ccccn1 ZINC000037759416 181090504 /nfs/dbraw/zinc/09/05/04/181090504.db2.gz DMHBMXSDHPDCSF-UHFFFAOYSA-N 0 0 228.280 2.082 10 30 BEEERN N#Cc1cc(N[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000051636418 181091297 /nfs/dbraw/zinc/09/12/97/181091297.db2.gz UJZHKJHEYJMRLU-OLZOCXBDSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1ccc(C(=O)NC2CCCCCC2)cn1 ZINC000114999632 181098750 /nfs/dbraw/zinc/09/87/50/181098750.db2.gz VLYJADBEFMCYOC-UHFFFAOYSA-N 0 0 243.310 2.406 10 30 BEEERN N#Cc1ccc(N2C[C@H]3CC=CC[C@@H]3C2)cn1 ZINC000301564981 181117408 /nfs/dbraw/zinc/11/74/08/181117408.db2.gz PQXZXZKNGOXCMD-VXGBXAGGSA-N 0 0 225.295 2.356 10 30 BEEERN N#Cc1ccc(NCc2cn[nH]c2)c(F)c1 ZINC000038006529 181124226 /nfs/dbraw/zinc/12/42/26/181124226.db2.gz OUKAMAUGXYZUIQ-UHFFFAOYSA-N 0 0 216.219 2.033 10 30 BEEERN N#Cc1ccc(OCC(=O)C2CC2)c(F)c1 ZINC000127545651 181127641 /nfs/dbraw/zinc/12/76/41/181127641.db2.gz JADBUMFOHIRBEJ-UHFFFAOYSA-N 0 0 219.215 2.055 10 30 BEEERN N#Cc1ccc2nc(-c3ccncc3)n(O)c2c1 ZINC000253561296 181133315 /nfs/dbraw/zinc/13/33/15/181133315.db2.gz BYUKLEMVRNLHBS-UHFFFAOYSA-N 0 0 236.234 2.207 10 30 BEEERN N#Cc1cccc(Cl)c1N[C@@H]1C[C@H]1CO ZINC000308901843 181139719 /nfs/dbraw/zinc/13/97/19/181139719.db2.gz CHFXSFFFLXHTOJ-WCBMZHEXSA-N 0 0 222.675 2.004 10 30 BEEERN N#Cc1cccc(N[C@@H]2CCCC[C@H]2O)c1 ZINC000037691221 181142102 /nfs/dbraw/zinc/14/21/02/181142102.db2.gz LCHNZTGEKOYTGE-CHWSQXEVSA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1cccc(O[C@H]2CCCC[C@H]2O)c1 ZINC000037691613 181143420 /nfs/dbraw/zinc/14/34/20/181143420.db2.gz SEISQONNRWDHFQ-OLZOCXBDSA-N 0 0 217.268 2.241 10 30 BEEERN N#Cc1ccccc1-n1nnc2ccccc21 ZINC000034973551 181144456 /nfs/dbraw/zinc/14/44/56/181144456.db2.gz DLZCUGQPHCNIAG-UHFFFAOYSA-N 0 0 220.235 2.292 10 30 BEEERN N#Cc1ccccc1C[C@H]1COCC[C@H]1S ZINC000095078979 181147163 /nfs/dbraw/zinc/14/71/63/181147163.db2.gz YEUGWCXKXBCYCQ-QWHCGFSZSA-N 0 0 233.336 2.436 10 30 BEEERN N#Cc1ccccc1C[C@@H]1COCC[C@H]1S ZINC000095078978 181147469 /nfs/dbraw/zinc/14/74/69/181147469.db2.gz YEUGWCXKXBCYCQ-CHWSQXEVSA-N 0 0 233.336 2.436 10 30 BEEERN N#Cc1ccccc1NC1(CO)CCCC1 ZINC000053071027 181148402 /nfs/dbraw/zinc/14/84/02/181148402.db2.gz QQYBRKXJFWIACW-UHFFFAOYSA-N 0 0 216.284 2.275 10 30 BEEERN N#Cc1ccccc1NC(=O)CCOCC1CC1 ZINC000019870808 181148451 /nfs/dbraw/zinc/14/84/51/181148451.db2.gz FNMXIMYTHLVNKT-UHFFFAOYSA-N 0 0 244.294 2.313 10 30 BEEERN N#Cc1cccnc1Oc1cccc(N)c1 ZINC000022144129 181154071 /nfs/dbraw/zinc/15/40/71/181154071.db2.gz JAHIVDNGPIBTPY-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1ccnc(N2CC[C@@H](C3CCCC3)C2)n1 ZINC000333721824 181155140 /nfs/dbraw/zinc/15/51/40/181155140.db2.gz UTTBXFNARCHWOK-GFCCVEGCSA-N 0 0 242.326 2.365 10 30 BEEERN N#Cc1nc(-c2ccc(Cl)cc2)oc1N ZINC000082288087 181167613 /nfs/dbraw/zinc/16/76/13/181167613.db2.gz RKPAHDNYELCQRZ-UHFFFAOYSA-N 0 0 219.631 2.449 10 30 BEEERN N#Cc1nc(NC2CCCC2)ccc1[N+](=O)[O-] ZINC000236420049 181168032 /nfs/dbraw/zinc/16/80/32/181168032.db2.gz FUMJBCRDYXFVSR-UHFFFAOYSA-N 0 0 232.243 2.216 10 30 BEEERN N#Cc1nc(Cl)c(Cl)c(NN)c1Cl ZINC000002273015 181168345 /nfs/dbraw/zinc/16/83/45/181168345.db2.gz YHWAHABDZKORGN-UHFFFAOYSA-N 0 0 237.477 2.199 10 30 BEEERN N#Cc1nccnc1NCCCCC(F)(F)F ZINC000128949051 181174014 /nfs/dbraw/zinc/17/40/14/181174014.db2.gz DZEXBIHBCAOLQY-UHFFFAOYSA-N 0 0 244.220 2.493 10 30 BEEERN N#Cc1nccnc1N1CCC[C@H]1c1ccco1 ZINC000116262246 181173183 /nfs/dbraw/zinc/17/31/83/181173183.db2.gz RPRYPOLHBYGQAT-NSHDSACASA-N 0 0 240.266 2.283 10 30 BEEERN N#Cc1nccnc1Oc1cc(F)ccc1F ZINC000071167753 181175521 /nfs/dbraw/zinc/17/55/21/181175521.db2.gz IOJUBWNFAQTVSR-UHFFFAOYSA-N 0 0 233.177 2.419 10 30 BEEERN N#Cc1sc(N)nc1-c1cccs1 ZINC000077300456 181178360 /nfs/dbraw/zinc/17/83/60/181178360.db2.gz WRKGQUAEMVAKLQ-UHFFFAOYSA-N 0 0 207.283 2.325 10 30 BEEERN N/C(=N/O)c1cc(Sc2ccccc2)ccn1 ZINC000061814301 181179246 /nfs/dbraw/zinc/17/92/46/181179246.db2.gz CLSYEEJHQPAWLS-UHFFFAOYSA-N 0 0 245.307 2.327 10 30 BEEERN C=CCSCCNc1nccnc1C(C)C ZINC000413092283 191355023 /nfs/dbraw/zinc/35/50/23/191355023.db2.gz FSOOAUUMFDQOEJ-UHFFFAOYSA-N 0 0 237.372 2.353 10 30 BEEERN N/C(=N\O)c1ccccc1OCc1cccs1 ZINC000019432700 181181633 /nfs/dbraw/zinc/18/16/33/181181633.db2.gz ITVHMYUGFMODFP-UHFFFAOYSA-N 0 0 248.307 2.422 10 30 BEEERN N/C(=N\O)c1ccccc1OC1CCCCC1 ZINC000020076432 181181739 /nfs/dbraw/zinc/18/17/39/181181739.db2.gz LWKOJTCDPTVLQY-UHFFFAOYSA-N 0 0 234.299 2.493 10 30 BEEERN N/C(CCCSc1ccccc1F)=N\O ZINC000019847763 181182483 /nfs/dbraw/zinc/18/24/83/181182483.db2.gz MKPVNEYFURLOAB-UHFFFAOYSA-N 0 0 228.292 2.444 10 30 BEEERN C=C(CC)CNc1nccnc1C(C)C ZINC000413312293 191371830 /nfs/dbraw/zinc/37/18/30/191371830.db2.gz FWMXDVNAYSIDEN-UHFFFAOYSA-N 0 0 205.305 2.400 10 30 BEEERN C#CC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000405987803 355522356 /nfs/dbraw/zinc/52/23/56/355522356.db2.gz PTUAKVLCMSEFNW-UHFFFAOYSA-N 0 0 246.266 2.245 10 30 BEEERN CC(C)[C@@H](C=O)NC(=O)OCc1ccccc1 ZINC000034444982 355579451 /nfs/dbraw/zinc/57/94/51/355579451.db2.gz JYBDVASSFVUWHZ-GFCCVEGCSA-N 0 0 235.283 2.136 10 30 BEEERN C=CCN1C(=O)CC2(CCCCCC2)C1=O ZINC000002013608 355766532 /nfs/dbraw/zinc/76/65/32/355766532.db2.gz LSESKYDWAOIWOK-UHFFFAOYSA-N 0 0 221.300 2.272 10 30 BEEERN Cc1cnc(SC2=CC(=O)CC2)nc1 ZINC000160277125 355808344 /nfs/dbraw/zinc/80/83/44/355808344.db2.gz BZDSLXMNACOCCH-UHFFFAOYSA-N 0 0 206.270 2.124 10 30 BEEERN C=C(C)CNc1ncc(Br)cc1N ZINC000160292756 355862061 /nfs/dbraw/zinc/86/20/61/355862061.db2.gz HEWPZPUJIBNJAE-UHFFFAOYSA-N 0 0 242.120 2.414 10 30 BEEERN CCc1nn(C)cc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000329182392 355902245 /nfs/dbraw/zinc/90/22/45/355902245.db2.gz OZYTWGMLLCIJIH-CABZTGNLSA-N 0 0 248.330 2.012 10 30 BEEERN C[C@H](CC1CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC000329462206 355923474 /nfs/dbraw/zinc/92/34/74/355923474.db2.gz TUGFANALBTUQSI-VXNVDRBHSA-N 0 0 210.277 2.250 10 30 BEEERN CSCCNc1cc(C)nc(C)c1C#N ZINC000087975116 356384870 /nfs/dbraw/zinc/38/48/70/356384870.db2.gz JABQMIDLIBPBDQ-UHFFFAOYSA-N 0 0 221.329 2.345 10 30 BEEERN Cc1cc(SC[C@@H](C)CO)c(C#N)c(C)n1 ZINC000087975360 356385541 /nfs/dbraw/zinc/38/55/41/356385541.db2.gz QJRDGZRUIAOGFI-QMMMGPOBSA-N 0 0 236.340 2.291 10 30 BEEERN C[C@H]1SCCS[C@H]1C(=O)C1=CCCO1 ZINC000168107911 356493182 /nfs/dbraw/zinc/49/31/82/356493182.db2.gz OCBOIEZOLZETLK-GMSGAONNSA-N 0 0 230.354 2.097 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000333628354 134119937 /nfs/dbraw/zinc/11/99/37/134119937.db2.gz ZQPUFGALBLLXHJ-NWBUJAPZSA-N 0 0 232.327 2.231 10 30 BEEERN C[C@@H]1CN(CC2(C#N)CCC2)CC(C)(C)O1 ZINC000336192157 134123927 /nfs/dbraw/zinc/12/39/27/134123927.db2.gz ALUKSKGRNAMMNC-LLVKDONJSA-N 0 0 222.332 2.180 10 30 BEEERN Cc1cc(F)c2[nH]c(=O)c(C#N)cc2c1 ZINC000675068116 538495946 /nfs/dbraw/zinc/49/59/46/538495946.db2.gz SYIKTUSACGHSLR-UHFFFAOYSA-N 0 0 202.188 2.260 10 30 BEEERN C=C(C)COCCNC(=O)Nc1ccccc1 ZINC000123939737 358510438 /nfs/dbraw/zinc/51/04/38/358510438.db2.gz SOJCGHKZQITWFV-UHFFFAOYSA-N 0 0 234.299 2.401 10 30 BEEERN N#Cc1cc2ccc(F)c(F)c2[nH]c1=O ZINC000675067515 538495254 /nfs/dbraw/zinc/49/52/54/538495254.db2.gz HSCHANBZPYFFIZ-UHFFFAOYSA-N 0 0 206.151 2.090 10 30 BEEERN Oc1cccc(F)c1C#CC(F)(F)F ZINC000675078239 538516615 /nfs/dbraw/zinc/51/66/15/538516615.db2.gz CVJODEBVWMPAEO-UHFFFAOYSA-N 0 0 204.122 2.445 10 30 BEEERN N#CCNc1nn2cc(C3CCCC3)nc2s1 ZINC000302764843 134158086 /nfs/dbraw/zinc/15/80/86/134158086.db2.gz LJFSHCRVVGFFTJ-UHFFFAOYSA-N 0 0 247.327 2.384 10 30 BEEERN CCCCCC[C@@]1(C)O[C@@H]1C(=O)OC ZINC000084324246 538531200 /nfs/dbraw/zinc/53/12/00/538531200.db2.gz ANRPIHXMTGIZNX-MWLCHTKSSA-N 0 0 200.278 2.287 10 30 BEEERN CCOC(=O)[C@@H]1O[C@@]12CCCC[C@@H]2CC ZINC000084324810 538533026 /nfs/dbraw/zinc/53/30/26/538533026.db2.gz BXRADPDXYDLRHB-JBLDHEPKSA-N 0 0 212.289 2.287 10 30 BEEERN COC(=O)[C@@]1(C)O[C@@]1(C)CCC(C)C ZINC000085657887 538543540 /nfs/dbraw/zinc/54/35/40/538543540.db2.gz VRHDZROVRQMPIJ-WDEREUQCSA-N 0 0 200.278 2.143 10 30 BEEERN CC[C@]1(C(C)C)O[C@@]1(C(=O)OC)C(C)C ZINC000086182494 538550237 /nfs/dbraw/zinc/55/02/37/538550237.db2.gz ATEYVCSQGYCGIW-VXGBXAGGSA-N 0 0 214.305 2.389 10 30 BEEERN CC(=O)c1ccc(N(C)CCC#N)cc1 ZINC000019871121 166462423 /nfs/dbraw/zinc/46/24/23/166462423.db2.gz KIXHEKFJAFOKOT-UHFFFAOYSA-N 0 0 202.257 2.239 10 30 BEEERN COC1=CC(=O)C2=C(C[C@H](C)[C@@H](C)C2)C1=O ZINC000079745885 363570869 /nfs/dbraw/zinc/57/08/69/363570869.db2.gz KGRYRNSUDOMZRZ-YUMQZZPRSA-N 0 0 220.268 2.031 10 30 BEEERN C=C(C)C(=O)CNC(=O)OCc1ccccc1 ZINC000204271601 538788318 /nfs/dbraw/zinc/78/83/18/538788318.db2.gz VDYLKTKYHDKDMP-UHFFFAOYSA-N 0 0 233.267 2.058 10 30 BEEERN C=C[C@H](O)c1ccc(Br)cn1 ZINC000129979440 357105688 /nfs/dbraw/zinc/10/56/88/357105688.db2.gz KAECFEPMDKKEBM-QMMMGPOBSA-N 0 0 214.062 2.064 10 30 BEEERN O=CCCCCOc1ccccc1[N+](=O)[O-] ZINC000380486492 357191523 /nfs/dbraw/zinc/19/15/23/357191523.db2.gz ZQQJYUSDTQNXMF-UHFFFAOYSA-N 0 0 223.228 2.343 10 30 BEEERN Cc1ncsc1CCOc1cccnc1C#N ZINC000130106734 357476269 /nfs/dbraw/zinc/47/62/69/357476269.db2.gz FLLCFLVQOPILNL-UHFFFAOYSA-N 0 0 245.307 2.340 10 30 BEEERN CCCn1cc(CN[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000230686622 357549594 /nfs/dbraw/zinc/54/95/94/357549594.db2.gz QPFGOZWQJWOQNF-CHWSQXEVSA-N 0 0 232.331 2.075 10 30 BEEERN CC#CCNC(=O)CCc1ccc(C)cc1 ZINC000121631094 134234831 /nfs/dbraw/zinc/23/48/31/134234831.db2.gz QURWREHRRJIKQV-UHFFFAOYSA-N 0 0 215.296 2.067 10 30 BEEERN CC1CC(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000610653427 358044147 /nfs/dbraw/zinc/04/41/47/358044147.db2.gz HCQRVAODNDLLAN-UHFFFAOYSA-N 0 0 246.285 2.360 10 30 BEEERN C[C@H](C#N)Cn1nc(-c2ccccc2)ccc1=O ZINC000584613732 358277973 /nfs/dbraw/zinc/27/79/73/358277973.db2.gz FSVLYVHRVKWKAH-LLVKDONJSA-N 0 0 239.278 2.070 10 30 BEEERN C=CCNC(=O)O/N=C(\C)c1ccccc1 ZINC000584591520 358249447 /nfs/dbraw/zinc/24/94/47/358249447.db2.gz STZOIIKOHOADOC-GXDHUFHOSA-N 0 0 218.256 2.323 10 30 BEEERN C/C(=N\[C@@H](CO)c1ccccc1)C(F)F ZINC000584594863 358251835 /nfs/dbraw/zinc/25/18/35/358251835.db2.gz CSJCPCFNHOIUEU-CEITULEQSA-N 0 0 213.227 2.446 10 30 BEEERN NC(=NO)c1ccc(Cc2ccccc2)cc1 ZINC000584594929 358251945 /nfs/dbraw/zinc/25/19/45/358251945.db2.gz FKITWNYWNFAZRK-UHFFFAOYSA-N 0 0 226.279 2.372 10 30 BEEERN C=CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(COC)cc1 ZINC000584595326 358252621 /nfs/dbraw/zinc/25/26/21/358252621.db2.gz PBKPAIYDRNPAQN-CYBMUJFWSA-N 0 0 249.310 2.077 10 30 BEEERN COC(=O)c1cccc([C@H]2C/C(=N/O)CCO2)c1 ZINC000584597747 358255441 /nfs/dbraw/zinc/25/54/41/358255441.db2.gz HVLOACDAQODVMJ-SLQMCABGSA-N 0 0 249.266 2.155 10 30 BEEERN N#Cc1ccc([C@H](O)c2ccc(O)cc2)cc1 ZINC000584599794 358256490 /nfs/dbraw/zinc/25/64/90/358256490.db2.gz ZWHQRWAWEWSVBS-AWEZNQCLSA-N 0 0 225.247 2.346 10 30 BEEERN C#C[C@](O)(c1ccccc1)[C@@]1(C#N)C[C@H]1C ZINC000584603469 358261993 /nfs/dbraw/zinc/26/19/93/358261993.db2.gz YBSBWQOHQHITTE-BNOWGMLFSA-N 0 0 211.264 2.057 10 30 BEEERN C=CC(F)(F)[C@H](O)c1ccc(C(=O)OC)cc1 ZINC000584606609 358265715 /nfs/dbraw/zinc/26/57/15/358265715.db2.gz LTBGJKZTVDQCGL-SNVBAGLBSA-N 0 0 242.221 2.328 10 30 BEEERN COc1ccc(CCC(=O)CC#N)cc1OC ZINC000041260390 358268063 /nfs/dbraw/zinc/26/80/63/358268063.db2.gz LKXCKZKQVYRFCF-UHFFFAOYSA-N 0 0 233.267 2.119 10 30 BEEERN C[C@H](C=O)[C@H](C[N+](=O)[O-])c1cccc(F)c1 ZINC000584608856 358268968 /nfs/dbraw/zinc/26/89/68/358268968.db2.gz WIDBJOOENFPMNP-KCJUWKMLSA-N 0 0 225.219 2.021 10 30 BEEERN CO/N=C(\C)c1ccc(F)cc1[N+](=O)[O-] ZINC000584609352 358270400 /nfs/dbraw/zinc/27/04/00/358270400.db2.gz JNTVECBFUPKFRM-IZZDOVSWSA-N 0 0 212.180 2.104 10 30 BEEERN C/C=C/C(=O)[Si](C)(C)c1ccccc1 ZINC000584609240 358270554 /nfs/dbraw/zinc/27/05/54/358270554.db2.gz BIDHWAIAYHHFMU-XBXARRHUSA-N 0 0 204.345 2.286 10 30 BEEERN CSC(=O)C(=O)/C=C/c1ccc(C)cc1 ZINC000584610389 358272985 /nfs/dbraw/zinc/27/29/85/358272985.db2.gz OKVWHDJONHDNBX-BQYQJAHWSA-N 0 0 220.293 2.467 10 30 BEEERN C=C[C@@]1(c2ccc(OC)cc2)COCO1 ZINC000584610528 358273746 /nfs/dbraw/zinc/27/37/46/358273746.db2.gz CGLPKPKLJMDTKD-LBPRGKRZSA-N 0 0 206.241 2.081 10 30 BEEERN C=CC[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000584610625 358273771 /nfs/dbraw/zinc/27/37/71/358273771.db2.gz VHGYCSZBOFNVAX-SECBINFHSA-N 0 0 204.225 2.050 10 30 BEEERN C=CCC[C@H](O)CC#CCO[C@@H]1CCCCO1 ZINC000584620473 358287373 /nfs/dbraw/zinc/28/73/73/358287373.db2.gz QQPYEEISKKVGNB-KBPBESRZSA-N 0 0 238.327 2.250 10 30 BEEERN Cc1ccc(OC[C@H](C#N)CC#N)cc1 ZINC000584621686 358289561 /nfs/dbraw/zinc/28/95/61/358289561.db2.gz KITUXMDOAUVFTR-NSHDSACASA-N 0 0 200.241 2.427 10 30 BEEERN CO[C@]1(SC)OC(c2ccccc2)=CC1=O ZINC000584626576 358295704 /nfs/dbraw/zinc/29/57/04/358295704.db2.gz NTICJQPAPXHOAF-LBPRGKRZSA-N 0 0 236.292 2.290 10 30 BEEERN C[C@H](C#N)N(C)C(=O)N(C)c1ccccc1 ZINC000584630284 358299661 /nfs/dbraw/zinc/29/96/61/358299661.db2.gz SRPLHVIQQHIATP-SNVBAGLBSA-N 0 0 217.272 2.087 10 30 BEEERN C=CCOc1cccc(OC)c1OC[C@@H]1CO1 ZINC000584650828 358305520 /nfs/dbraw/zinc/30/55/20/358305520.db2.gz BRFDUHLGKJZIMI-JTQLQIEISA-N 0 0 236.267 2.038 10 30 BEEERN CC(C)=NOC[C@@H](O)c1ccccc1C ZINC000584658174 358310146 /nfs/dbraw/zinc/31/01/46/358310146.db2.gz OEDDQYCIMJYAHI-GFCCVEGCSA-N 0 0 207.273 2.441 10 30 BEEERN C#C[C@]1(O)C[C@H]2CCc3cc(OC)ccc3[C@@H]2C1 ZINC000584616991 358281532 /nfs/dbraw/zinc/28/15/32/358281532.db2.gz FFILOGKGEMCWCM-WQVCFCJDSA-N 0 0 242.318 2.499 10 30 BEEERN C=CCCN(C#N)C(=O)c1ccccc1 ZINC000584643313 358328312 /nfs/dbraw/zinc/32/83/12/358328312.db2.gz HEDGNTCLYSXVQX-UHFFFAOYSA-N 0 0 200.241 2.186 10 30 BEEERN C#CCOc1ccc(N)c(C(F)(F)F)c1 ZINC000584634587 358318827 /nfs/dbraw/zinc/31/88/27/358318827.db2.gz PBHAGKWVUMXUPW-UHFFFAOYSA-N 0 0 215.174 2.300 10 30 BEEERN COc1cc(CS)c([N+](=O)[O-])cc1OC ZINC000584639888 358325830 /nfs/dbraw/zinc/32/58/30/358325830.db2.gz ZEQYNRKSLUEYBZ-UHFFFAOYSA-N 0 0 229.257 2.042 10 30 BEEERN N#Cc1cc2ncnc(Cl)c2cc1F ZINC000584640455 358326794 /nfs/dbraw/zinc/32/67/94/358326794.db2.gz KPDQBZVYGFRGSU-UHFFFAOYSA-N 0 0 207.595 2.294 10 30 BEEERN O=C(C#Cc1ccccc1)[C@H]1CCSC1 ZINC000306153298 358918890 /nfs/dbraw/zinc/91/88/90/358918890.db2.gz AODQXKGRKZYUNO-LBPRGKRZSA-N 0 0 216.305 2.360 10 30 BEEERN C[N@H+](Cc1ccccc1)[C@@H]1CCC[C@](N)(C#N)C1 ZINC000403386662 358944136 /nfs/dbraw/zinc/94/41/36/358944136.db2.gz GNXNWHLJDILBAO-HUUCEWRRSA-N 0 0 243.354 2.282 10 30 BEEERN C#C[C@@H](C)OCc1nc(Cl)cc(Cl)n1 ZINC000306175650 358982445 /nfs/dbraw/zinc/98/24/45/358982445.db2.gz MXROTXDXKADWLH-ZCFIWIBFSA-N 0 0 231.082 2.322 10 30 BEEERN N#CCNc1ccc(C(F)(F)Cl)cn1 ZINC000306185843 359001592 /nfs/dbraw/zinc/00/15/92/359001592.db2.gz AOPGZBKLEJLZPZ-UHFFFAOYSA-N 0 0 217.606 2.305 10 30 BEEERN CC[C@H](OC)c1ncc(C#N)c(Cl)n1 ZINC000306184080 359002699 /nfs/dbraw/zinc/00/26/99/359002699.db2.gz AWMBLHNMRVBREE-ZETCQYMHSA-N 0 0 211.652 2.099 10 30 BEEERN CC[C@H](S)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000306214538 359316098 /nfs/dbraw/zinc/31/60/98/359316098.db2.gz YXMAAIWCSHETOW-BDAKNGLRSA-N 0 0 215.362 2.390 10 30 BEEERN C#CC[C@@H](C)Nc1c(Cl)nsc1C#N ZINC000306218168 359335906 /nfs/dbraw/zinc/33/59/06/359335906.db2.gz LHONJNAIYIFESS-ZCFIWIBFSA-N 0 0 225.704 2.492 10 30 BEEERN C=C[C@@H](C)Nc1nc(Cl)c(CO)s1 ZINC000306218752 359337120 /nfs/dbraw/zinc/33/71/20/359337120.db2.gz LZPMSGDTNQSXQV-RXMQYKEDSA-N 0 0 218.709 2.275 10 30 BEEERN C[C@H]1CC[C@H](NC(=O)C#CBr)CC1 ZINC000306253498 359463524 /nfs/dbraw/zinc/46/35/24/359463524.db2.gz LUJJHHHJYHUSJR-KYZUINATSA-N 0 0 244.132 2.037 10 30 BEEERN CC#CCCNc1cnc(Br)cn1 ZINC000306271937 359503817 /nfs/dbraw/zinc/50/38/17/359503817.db2.gz VNBUFUHLOWPKKM-UHFFFAOYSA-N 0 0 240.104 2.064 10 30 BEEERN CC(C)N=Nc1nc(Cl)ncc1F ZINC000306276020 359507002 /nfs/dbraw/zinc/50/70/02/359507002.db2.gz DLJBFVAFNYGZGP-UHFFFAOYSA-N 0 0 202.620 2.077 10 30 BEEERN Cc1cc(C#N)cc(N[C@H]2CCCC[C@@H]2CO)n1 ZINC000231318850 359753821 /nfs/dbraw/zinc/75/38/21/359753821.db2.gz QTLYJYVNJOFHIF-OLZOCXBDSA-N 0 0 245.326 2.225 10 30 BEEERN C=C[C@@H](NN)c1ccc(F)c(Cl)c1 ZINC000169219004 359800619 /nfs/dbraw/zinc/80/06/19/359800619.db2.gz BHHOYKPLJVVEMT-SECBINFHSA-N 0 0 200.644 2.170 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1nc2c(s1)CCC2 ZINC000612584419 359897423 /nfs/dbraw/zinc/89/74/23/359897423.db2.gz HPLGHTHUJJZZHI-NXEZZACHSA-N 0 0 247.367 2.414 10 30 BEEERN CC1(C)CN(C[C@H](C#N)C(F)(F)F)C1 ZINC000306429348 359885690 /nfs/dbraw/zinc/88/56/90/359885690.db2.gz OQTDRZAAUYTQCQ-ZETCQYMHSA-N 0 0 206.211 2.030 10 30 BEEERN Cc1cnnc([C@]2(C#N)CCCS2)c1 ZINC000306433865 359928378 /nfs/dbraw/zinc/92/83/78/359928378.db2.gz YEBNYGWICBLJHB-SNVBAGLBSA-N 0 0 205.286 2.031 10 30 BEEERN C[C@H](N[C@H]1CCC[C@H]1C#N)c1cccnc1 ZINC000088169895 359939259 /nfs/dbraw/zinc/93/92/59/359939259.db2.gz LZRWXSRKVQRFBA-GVXVVHGQSA-N 0 0 215.300 2.424 10 30 BEEERN O=C[C@H]1CC[C@@H](c2c(F)cccc2F)O1 ZINC000306445829 360008994 /nfs/dbraw/zinc/00/89/94/360008994.db2.gz TVHLUUGSEHTPBZ-XCBNKYQSSA-N 0 0 212.195 2.384 10 30 BEEERN CC(C)n1cncc1CN[C@H]1CCC[C@H]1C#N ZINC000090209195 360065633 /nfs/dbraw/zinc/06/56/33/360065633.db2.gz HHSBFRFEMXFNHC-AAEUAGOBSA-N 0 0 232.331 2.246 10 30 BEEERN O=CC1(Cc2ccnc(Cl)n2)CCCC1 ZINC000306476135 360110191 /nfs/dbraw/zinc/11/01/91/360110191.db2.gz XTQAPPNHYHUXEG-UHFFFAOYSA-N 0 0 224.691 2.432 10 30 BEEERN C[C@H]1CSC[C@@]1(C#N)NCc1ccccc1 ZINC000306485955 360162312 /nfs/dbraw/zinc/16/23/12/360162312.db2.gz ODXNXAMMJPOQFQ-WCQYABFASA-N 0 0 232.352 2.421 10 30 BEEERN N#Cc1cc2cc(Br)cnc2[nH]1 ZINC000237971335 360206700 /nfs/dbraw/zinc/20/67/00/360206700.db2.gz SLJQMYNJDVTZGY-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN N#Cc1cc2nc[nH]c2cc1Br ZINC000237996315 360355081 /nfs/dbraw/zinc/35/50/81/360355081.db2.gz HLPZIMSOERWKIQ-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN CCC[C@@H](OC)[C@H](C#N)NCc1ccccc1 ZINC000306561026 360437717 /nfs/dbraw/zinc/43/77/17/360437717.db2.gz SLNJACDHOGUXJV-UONOGXRCSA-N 0 0 232.327 2.483 10 30 BEEERN Cc1cc(C#N)cc(N2CCC[C@H]2CCCO)n1 ZINC000161041565 360418047 /nfs/dbraw/zinc/41/80/47/360418047.db2.gz YAOAYDNQXUXYIU-ZDUSSCGKSA-N 0 0 245.326 2.003 10 30 BEEERN C[C@@H](C=O)Cc1cc(F)c(F)c(F)c1 ZINC000306559537 360433992 /nfs/dbraw/zinc/43/39/92/360433992.db2.gz QIXSAESNIGGFKD-ZCFIWIBFSA-N 0 0 202.175 2.481 10 30 BEEERN C[C@H](CO)Nc1cc(C#N)ccc1Cl ZINC000306559903 360435181 /nfs/dbraw/zinc/43/51/81/360435181.db2.gz LYRFKKNVOJFIJO-SSDOTTSWSA-N 0 0 210.664 2.004 10 30 BEEERN CC#CCNc1ncc2sccc2n1 ZINC000306586703 360488303 /nfs/dbraw/zinc/48/83/03/360488303.db2.gz ROWKFMIKPIBBJW-UHFFFAOYSA-N 0 0 203.270 2.127 10 30 BEEERN Cc1ccc(C(=O)C2=CCCCO2)nc1 ZINC000306592268 360510136 /nfs/dbraw/zinc/51/01/36/360510136.db2.gz ZLEAQIIPFDQDBC-UHFFFAOYSA-N 0 0 203.241 2.267 10 30 BEEERN O=C1C=CO[C@@H](c2csc([N+](=O)[O-])c2)C1 ZINC000069850506 360703049 /nfs/dbraw/zinc/70/30/49/360703049.db2.gz IKCLZTNFFHEQSJ-MRVPVSSYSA-N 0 0 225.225 2.201 10 30 BEEERN CCOC(=O)Cc1ccc(Cl)cc1C#N ZINC000238259491 360762908 /nfs/dbraw/zinc/76/29/08/360762908.db2.gz SVCIISOVXBTLRX-UHFFFAOYSA-N 0 0 223.659 2.317 10 30 BEEERN CCc1c(C)c(C(=O)OC)ccc1C#N ZINC000238289114 360781791 /nfs/dbraw/zinc/78/17/91/360781791.db2.gz ZHLUDKWJTZCNHX-UHFFFAOYSA-N 0 0 203.241 2.216 10 30 BEEERN CCc1cc(C#N)cc(C)c1C(=O)OC ZINC000238312306 360856719 /nfs/dbraw/zinc/85/67/19/360856719.db2.gz FZDLRUFKKDHSSY-UHFFFAOYSA-N 0 0 203.241 2.216 10 30 BEEERN CCc1cc(C(=O)OC)c(F)cc1C#N ZINC000238314430 360860357 /nfs/dbraw/zinc/86/03/57/360860357.db2.gz BKTXPINHNSKBMJ-UHFFFAOYSA-N 0 0 207.204 2.046 10 30 BEEERN Cc1ccc(CC#N)nc1OC(F)(F)F ZINC000238463748 361086444 /nfs/dbraw/zinc/08/64/44/361086444.db2.gz GNCHXPMLXWSFOA-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1ncc(CC#N)cc1OC(F)(F)F ZINC000238468680 361087691 /nfs/dbraw/zinc/08/76/91/361087691.db2.gz DXQDWGITOUWHAP-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1cc(CC#N)ncc1OC(F)(F)F ZINC000238471189 361098308 /nfs/dbraw/zinc/09/83/08/361098308.db2.gz KUROGBRUNYVXLZ-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1nc(C#N)ccc1OC(F)(F)F ZINC000238485425 361115371 /nfs/dbraw/zinc/11/53/71/361115371.db2.gz IOSOECJWGWFCGG-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1ncc(F)cc1OC(F)(F)F ZINC000238577507 361156938 /nfs/dbraw/zinc/15/69/38/361156938.db2.gz PWPCIURZCRKZDP-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#Cc1c(O)cccc1OC(F)(F)F ZINC000238725330 361372259 /nfs/dbraw/zinc/37/22/59/361372259.db2.gz RJVSKOGHEJDAPP-UHFFFAOYSA-N 0 0 203.119 2.162 10 30 BEEERN N#Cc1cc(N)cc(OC(F)(F)F)c1 ZINC000238704335 361364196 /nfs/dbraw/zinc/36/41/96/361364196.db2.gz KLPKEPYCIRDOSP-UHFFFAOYSA-N 0 0 202.135 2.039 10 30 BEEERN Cc1c(C)n(-c2cccc(C#N)c2)c(N)c1C#N ZINC000036938885 361582149 /nfs/dbraw/zinc/58/21/49/361582149.db2.gz BMUJXEUTESUCPP-UHFFFAOYSA-N 0 0 236.278 2.420 10 30 BEEERN N#Cc1ccc(OCC[N@@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000435198409 201255438 /nfs/dbraw/zinc/25/54/38/201255438.db2.gz YHFUREAASMGSQR-UKRRQHHQSA-N 0 0 242.322 2.421 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)Cc1ccccc1 ZINC000234581602 541312086 /nfs/dbraw/zinc/31/20/86/541312086.db2.gz QDXVJDQWGFAALA-NWDGAFQWSA-N 0 0 240.686 2.126 10 30 BEEERN CC(C)CCn1c2ccc(C#N)cc2nc1CO ZINC000204529520 364453775 /nfs/dbraw/zinc/45/37/75/364453775.db2.gz MVZPTGFGPVKXIG-UHFFFAOYSA-N 0 0 243.310 2.446 10 30 BEEERN CC[C@H]1CCCC(=NNC(N)=S)CC1 ZINC000252664618 364756099 /nfs/dbraw/zinc/75/60/99/364756099.db2.gz FGWATPSDOSIXNJ-QMMMGPOBSA-N 0 0 213.350 2.166 10 30 BEEERN C/C=C1\CN(C(=O)OC(C)(C)C)CCC1=O ZINC000137749736 541495485 /nfs/dbraw/zinc/49/54/85/541495485.db2.gz MJIKIYZXUTXUMS-WEVVVXLNSA-N 0 0 225.288 2.143 10 30 BEEERN C=CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000143069008 541507927 /nfs/dbraw/zinc/50/79/27/541507927.db2.gz QWVUFIKBVFADKY-UHFFFAOYSA-N 0 0 239.315 2.389 10 30 BEEERN CCCCC[C@@]1(C)O[C@@]1(Cl)C(=O)OC ZINC000232965419 541508391 /nfs/dbraw/zinc/50/83/91/541508391.db2.gz PPKCKFRPQLXHSE-ZJUUUORDSA-N 0 0 220.696 2.464 10 30 BEEERN CCCCC[C@@]1(C)O[C@]1(Cl)C(=O)OC ZINC000232965455 541508895 /nfs/dbraw/zinc/50/88/95/541508895.db2.gz PPKCKFRPQLXHSE-NXEZZACHSA-N 0 0 220.696 2.464 10 30 BEEERN Cc1nc(CN(C)CCC#N)nc2ccccc12 ZINC000101918717 367922081 /nfs/dbraw/zinc/92/20/81/367922081.db2.gz OGQMHOAZRMCYFG-UHFFFAOYSA-N 0 0 240.310 2.284 10 30 BEEERN C[C@@H](C#N)n1sc2ccccc2c1=O ZINC000161382679 368140309 /nfs/dbraw/zinc/14/03/09/368140309.db2.gz NCBUZKNSSWOGQE-ZETCQYMHSA-N 0 0 204.254 2.148 10 30 BEEERN N#CCCc1ccc(Br)cn1 ZINC000161379076 368140463 /nfs/dbraw/zinc/14/04/63/368140463.db2.gz REZAZTAJMAOYRT-UHFFFAOYSA-N 0 0 211.062 2.300 10 30 BEEERN C[C@H](C#N)n1sc2ccccc2c1=O ZINC000161382767 368140714 /nfs/dbraw/zinc/14/07/14/368140714.db2.gz NCBUZKNSSWOGQE-SSDOTTSWSA-N 0 0 204.254 2.148 10 30 BEEERN C=C1C[C@]2(CCc3cc(OC)ccc32)OC1=O ZINC000048523777 368377517 /nfs/dbraw/zinc/37/75/17/368377517.db2.gz NCHDPMORMXZZRG-AWEZNQCLSA-N 0 0 230.263 2.340 10 30 BEEERN O=C1CCCC(=O)C1=CNNc1ccc(F)cc1 ZINC000198685838 368418886 /nfs/dbraw/zinc/41/88/86/368418886.db2.gz FYNYCLKBCCIDPG-OVCLIPMQSA-N 0 0 248.257 2.162 10 30 BEEERN C/C(=C\C(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC000048545062 368419868 /nfs/dbraw/zinc/41/98/68/368419868.db2.gz KQBBNDYEKAAEFE-CMDGGOBGSA-N 0 0 234.255 2.243 10 30 BEEERN CC(C)(O)c1cc2ccc(C#N)cc2[nH]1 ZINC000114800982 368953030 /nfs/dbraw/zinc/95/30/30/368953030.db2.gz HJTVAAODOXTIDT-UHFFFAOYSA-N 0 0 200.241 2.267 10 30 BEEERN CCOC(=O)/C=N/[C@@H](C)c1ccccc1 ZINC000118627313 259535589 /nfs/dbraw/zinc/53/55/89/259535589.db2.gz VHFZIBNRJPBOBX-YWEFTTLKSA-N 0 0 205.257 2.382 10 30 BEEERN N#C[C@@H](NC1CCCC1)c1cncs1 ZINC000161430715 369016791 /nfs/dbraw/zinc/01/67/91/369016791.db2.gz VUILXKMUIUKQHU-SECBINFHSA-N 0 0 207.302 2.240 10 30 BEEERN N#Cc1c(CO)cccc1C(F)(F)F ZINC000225157973 369018084 /nfs/dbraw/zinc/01/80/84/369018084.db2.gz OYFQTARTICXIAQ-UHFFFAOYSA-N 0 0 201.147 2.069 10 30 BEEERN C[C@H]1CCC[C@@H]1C(=O)NCC(C)(C)C#N ZINC000230176745 369431959 /nfs/dbraw/zinc/43/19/59/369431959.db2.gz YHFWOBAJYRSIHX-UWVGGRQHSA-N 0 0 208.305 2.089 10 30 BEEERN CC(C)N(CCC#N)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250497250 369537410 /nfs/dbraw/zinc/53/74/10/369537410.db2.gz JPEPQPOQESARSH-ZSBIGDGJSA-N 0 0 220.316 2.183 10 30 BEEERN CCC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)C(=O)[O-] ZINC000600704162 369560107 /nfs/dbraw/zinc/56/01/07/369560107.db2.gz YSMODQWFZLTVOA-ZDUSSCGKSA-N 0 0 246.310 2.210 10 30 BEEERN N#Cc1cnc(Cl)c([N+](=O)[O-])c1Cl ZINC000207000484 370223266 /nfs/dbraw/zinc/22/32/66/370223266.db2.gz OCJPGECKCVYJOG-UHFFFAOYSA-N 0 0 217.999 2.168 10 30 BEEERN CC#C[C@H](CC(=O)OCC)c1ccc(N)cc1 ZINC000113358415 370405648 /nfs/dbraw/zinc/40/56/48/370405648.db2.gz MPNRAVIUGBXBMT-GFCCVEGCSA-N 0 0 231.295 2.329 10 30 BEEERN CC(C)n1nc(-c2cccnc2)cc1C#N ZINC000261070150 371029866 /nfs/dbraw/zinc/02/98/66/371029866.db2.gz WJWTUADDYMVHOD-UHFFFAOYSA-N 0 0 212.256 2.398 10 30 BEEERN C=CCNC(=O)N1CCc2c1cccc2C ZINC000124480374 371192866 /nfs/dbraw/zinc/19/28/66/371192866.db2.gz QPIIZVCQCLICCQ-UHFFFAOYSA-N 0 0 216.284 2.253 10 30 BEEERN Nc1ccc(/C=C2/Nc3ccccc3C2=O)[nH]1 ZINC000045817520 181698326 /nfs/dbraw/zinc/69/83/26/181698326.db2.gz VIDJJVVANFACIA-YRNVUSSQSA-N 0 0 225.251 2.246 10 30 BEEERN COCCSc1cc(C)nc(C)c1C#N ZINC000156545410 371446588 /nfs/dbraw/zinc/44/65/88/371446588.db2.gz XXZTZGIHNXSDOA-UHFFFAOYSA-N 0 0 222.313 2.309 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000131202418 371568978 /nfs/dbraw/zinc/56/89/78/371568978.db2.gz MAKOVQWCIMDHCI-WCBMZHEXSA-N 0 0 247.254 2.056 10 30 BEEERN Cc1cnn(-c2cc(C#N)cc(Cl)n2)c1 ZINC000215555627 371580323 /nfs/dbraw/zinc/58/03/23/371580323.db2.gz OSJWODHUORQHKP-UHFFFAOYSA-N 0 0 218.647 2.101 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1cc(C#N)cc(Cl)n1 ZINC000215568061 371581200 /nfs/dbraw/zinc/58/12/00/371581200.db2.gz SRCWFZHRBNZPAS-SVRRBLITSA-N 0 0 207.664 2.427 10 30 BEEERN Cc1ccc(C#N)c(S[C@@H](C)CO)c1 ZINC000162416882 371673034 /nfs/dbraw/zinc/67/30/34/371673034.db2.gz YUXFYXJHYYDQFK-VIFPVBQESA-N 0 0 207.298 2.340 10 30 BEEERN Cc1cnc([C@H](C)NC(=O)C2(C#N)CC(C)C2)o1 ZINC000226614009 371706975 /nfs/dbraw/zinc/70/69/75/371706975.db2.gz RCZHFWMAKWZTNI-SLYADPJGSA-N 0 0 247.298 2.100 10 30 BEEERN C=CCOc1nc(NN)c(Cl)cc1Cl ZINC000226653364 371717530 /nfs/dbraw/zinc/71/75/30/371717530.db2.gz POZXIZVGYALWRD-UHFFFAOYSA-N 0 0 234.086 2.239 10 30 BEEERN Cc1ccc(Br)c(C#N)c1N ZINC000131840385 371693030 /nfs/dbraw/zinc/69/30/30/371693030.db2.gz KSYZQWKSTRLLER-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN N#Cc1c(N)c(F)ccc1Br ZINC000131840181 371693607 /nfs/dbraw/zinc/69/36/07/371693607.db2.gz YRXRNFNJDFYRCO-UHFFFAOYSA-N 0 0 215.025 2.042 10 30 BEEERN CSC(=N[C@@H]1CC[C@@H](C)[C@@H]1C)NC#N ZINC000226556210 371696249 /nfs/dbraw/zinc/69/62/49/371696249.db2.gz FRVDEAOWUABQRS-HRDYMLBCSA-N 0 0 211.334 2.211 10 30 BEEERN CCOc1ccc(Br)c(C#N)c1N ZINC000131856875 371698429 /nfs/dbraw/zinc/69/84/29/371698429.db2.gz HQKFLSQLEILOSC-UHFFFAOYSA-N 0 0 241.088 2.302 10 30 BEEERN CCc1cc(Br)cc(C#N)c1N ZINC000131878662 371703022 /nfs/dbraw/zinc/70/30/22/371703022.db2.gz FWXBRROZCHPMEN-UHFFFAOYSA-N 0 0 225.089 2.465 10 30 BEEERN Cc1c(N)c(C#N)ccc1C(F)(F)F ZINC000131876933 371703388 /nfs/dbraw/zinc/70/33/88/371703388.db2.gz MKPTXGLOAZKKKG-UHFFFAOYSA-N 0 0 200.163 2.468 10 30 BEEERN C[C@@H](C=O)Cc1cccc2c1OCCC2 ZINC000132592379 371867701 /nfs/dbraw/zinc/86/77/01/371867701.db2.gz FSCZXFNNCYXZMW-SNVBAGLBSA-N 0 0 204.269 2.389 10 30 BEEERN C#CCNc1cc(Br)cc(C#N)c1 ZINC000227606379 371902398 /nfs/dbraw/zinc/90/23/98/371902398.db2.gz GTAMARAFTZXEPQ-UHFFFAOYSA-N 0 0 235.084 2.366 10 30 BEEERN N#C[C@@]1(c2ccc(Cl)cc2)C[C@H]1CO ZINC000132781208 371921751 /nfs/dbraw/zinc/92/17/51/371921751.db2.gz XSMNRWXFAQNXGI-GXSJLCMTSA-N 0 0 207.660 2.114 10 30 BEEERN C[C@]1(C(=O)Nc2cccc(C#N)c2)CCCC[NH2+]1 ZINC000133070097 371981485 /nfs/dbraw/zinc/98/14/85/371981485.db2.gz VBHWNCUHQRDLPH-CQSZACIVSA-N 0 0 243.310 2.029 10 30 BEEERN C=C(C)C(=O)[C@H]1SCCS[C@@H]1C ZINC000228079824 371986063 /nfs/dbraw/zinc/98/60/63/371986063.db2.gz NKNQRYNQQOCBFS-APPZFPTMSA-N 0 0 202.344 2.369 10 30 BEEERN N#Cc1c(N)c(F)cc(F)c1Br ZINC000228199060 372002957 /nfs/dbraw/zinc/00/29/57/372002957.db2.gz BOQRBIJYOUDWCR-UHFFFAOYSA-N 0 0 233.015 2.181 10 30 BEEERN CC#C[C@@H](O)c1ccc(OC)c(Cl)c1 ZINC000306650394 372050932 /nfs/dbraw/zinc/05/09/32/372050932.db2.gz FLAKACSEMZUZDE-SNVBAGLBSA-N 0 0 210.660 2.405 10 30 BEEERN N#Cc1ccc(Cl)c(OC(F)F)n1 ZINC000306700138 372057456 /nfs/dbraw/zinc/05/74/56/372057456.db2.gz IYBSXDOFRYYCPF-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C=CC[C@H](O)[C@@H]1SCCS[C@H]1C ZINC000228277705 372010484 /nfs/dbraw/zinc/01/04/84/372010484.db2.gz VFCYXJMHPLZQKL-XHNCKOQMSA-N 0 0 204.360 2.161 10 30 BEEERN Cc1ccccc1CC(=O)C1=COCC1 ZINC000306801955 372068817 /nfs/dbraw/zinc/06/88/17/372068817.db2.gz SITOMSGJKGSQAG-UHFFFAOYSA-N 0 0 202.253 2.411 10 30 BEEERN C#Cc1ccc(OC[C@H]2CC[C@H]2C)nc1 ZINC000606302372 372092207 /nfs/dbraw/zinc/09/22/07/372092207.db2.gz MAWCMUYYVFPWHI-ZYHUDNBSSA-N 0 0 201.269 2.488 10 30 BEEERN N#CC(C#N)=NNc1ccc(OCC2CC2)cc1 ZINC000606303555 372092952 /nfs/dbraw/zinc/09/29/52/372092952.db2.gz RMHOEQTWASGSDB-UHFFFAOYSA-N 0 0 240.266 2.290 10 30 BEEERN C=CCNc1cc(Br)nc(CC)n1 ZINC000229298687 372137674 /nfs/dbraw/zinc/13/76/74/372137674.db2.gz VJTOXEHVVUWSCU-UHFFFAOYSA-N 0 0 242.120 2.399 10 30 BEEERN C#CCCNc1nc(Cl)ncc1Cl ZINC000229301880 372139197 /nfs/dbraw/zinc/13/91/97/372139197.db2.gz IVFRKMFJIKIWQR-UHFFFAOYSA-N 0 0 216.071 2.219 10 30 BEEERN C#CC[C@H](C)Nc1cc(Br)ncn1 ZINC000229326794 372142957 /nfs/dbraw/zinc/14/29/57/372142957.db2.gz WFUZOVAGBBSGDQ-ZETCQYMHSA-N 0 0 240.104 2.063 10 30 BEEERN C#C[C@H](C)Nc1cc(Cl)nc(CC)n1 ZINC000229336930 372144462 /nfs/dbraw/zinc/14/44/62/372144462.db2.gz AXUSNAZZMVSPMR-ZETCQYMHSA-N 0 0 209.680 2.126 10 30 BEEERN C=CCOc1c(C)cccc1C(=O)OC ZINC000038435215 372590306 /nfs/dbraw/zinc/59/03/06/372590306.db2.gz OEWZWGROZHSPTB-UHFFFAOYSA-N 0 0 206.241 2.346 10 30 BEEERN C=C[C@H](NC)c1ncccc1Br ZINC000140376000 372597445 /nfs/dbraw/zinc/59/74/45/372597445.db2.gz DVIFVPRXNMKTKK-QMMMGPOBSA-N 0 0 227.105 2.291 10 30 BEEERN Cc1ccc(I)c(C#N)c1 ZINC000039244271 372902125 /nfs/dbraw/zinc/90/21/25/372902125.db2.gz LPIAQGLLZZIXRC-UHFFFAOYSA-N 0 0 243.047 2.471 10 30 BEEERN C[C@H]1CCc2[nH]c(=S)c(C#N)cc2C1 ZINC000039326187 372942931 /nfs/dbraw/zinc/94/29/31/372942931.db2.gz AVSLKJSRODVUMF-ZETCQYMHSA-N 0 0 204.298 2.367 10 30 BEEERN C[C@@H]1CCc2[nH]c(=S)c(C#N)cc2C1 ZINC000039326185 372943931 /nfs/dbraw/zinc/94/39/31/372943931.db2.gz AVSLKJSRODVUMF-SSDOTTSWSA-N 0 0 204.298 2.367 10 30 BEEERN C[C@H](C#N)CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172916486 373108196 /nfs/dbraw/zinc/10/81/96/373108196.db2.gz RBOBMUVXOKOZSA-RTXFEEFZSA-N 0 0 234.343 2.479 10 30 BEEERN O=C(Nc1ccccc1C#CCCO)C1CCC1 ZINC000037549834 182378272 /nfs/dbraw/zinc/37/82/72/182378272.db2.gz LEIWMEDKSQLSKN-UHFFFAOYSA-N 0 0 243.306 2.159 10 30 BEEERN O=C(c1ccccc1)[C@@H]1O[C@H]1C(F)(F)F ZINC000038212808 182677764 /nfs/dbraw/zinc/67/77/64/182677764.db2.gz BMKVTNQQOLRPNT-DTWKUNHWSA-N 0 0 216.158 2.199 10 30 BEEERN OCCC#Cc1ccc(OCC(F)(F)F)cc1 ZINC000037544223 183043054 /nfs/dbraw/zinc/04/30/54/183043054.db2.gz PIKMWHKWSRWTBR-UHFFFAOYSA-N 0 0 244.212 2.362 10 30 BEEERN OCCS[C@H]1CCCCCC/C1=N/O ZINC000005480331 183089291 /nfs/dbraw/zinc/08/92/91/183089291.db2.gz OLZQIDLLLSVJFG-RGAIUGGKSA-N 0 0 217.334 2.265 10 30 BEEERN CCCCc1noc(-c2ccc(C#N)[nH]2)n1 ZINC000228640011 169028604 /nfs/dbraw/zinc/02/86/04/169028604.db2.gz BEWANHYXBYAERB-UHFFFAOYSA-N 0 0 216.244 2.279 10 30 BEEERN O[C@H](CS)COc1ccc(Cl)cc1 ZINC000095830673 183227694 /nfs/dbraw/zinc/22/76/94/183227694.db2.gz WVWIWCIUPSDEMI-QMMMGPOBSA-N 0 0 218.705 2.010 10 30 BEEERN Oc1ccc(CN=Nc2ccc(Cl)nn2)cc1 ZINC000095932808 183267120 /nfs/dbraw/zinc/26/71/20/183267120.db2.gz KTWNFYNMABEGMN-QPEQYQDCSA-N 0 0 248.673 2.282 10 30 BEEERN S=C(NN=C1CCCC1)N[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000000137332 183310903 /nfs/dbraw/zinc/31/09/03/183310903.db2.gz UOOSNYCMDXLGIQ-HOSYDEDBSA-N 0 0 249.383 2.345 10 30 BEEERN CCCNC(=O)CSCc1cccc(C#N)c1 ZINC000058240434 169231436 /nfs/dbraw/zinc/23/14/36/169231436.db2.gz NUHLMQPSAOKYCU-UHFFFAOYSA-N 0 0 248.351 2.318 10 30 BEEERN c1nc2cccc(OC[C@@H]3CO3)c2s1 ZINC000045236994 183358765 /nfs/dbraw/zinc/35/87/65/183358765.db2.gz BNEGKKSHTBJBKC-ZETCQYMHSA-N 0 0 207.254 2.074 10 30 BEEERN CCCN[C@@H](C#N)CCOc1cccc(F)c1 ZINC000062446754 169273126 /nfs/dbraw/zinc/27/31/26/169273126.db2.gz YIHUIWMTVCXRNB-GFCCVEGCSA-N 0 0 236.290 2.486 10 30 BEEERN CCCN[C@H](C#N)c1ccc(OC)cc1OC ZINC000020175971 169283549 /nfs/dbraw/zinc/28/35/49/169283549.db2.gz VTHVGAMOLONRKJ-GFCCVEGCSA-N 0 0 234.299 2.268 10 30 BEEERN CCCN[C@@](C)(C#N)CN1Cc2ccccc2C1 ZINC000050912100 169283738 /nfs/dbraw/zinc/28/37/38/169283738.db2.gz IGNHPMGHAUITMR-HNNXBMFYSA-N 0 0 243.354 2.284 10 30 BEEERN CCCOCc1ccc(OC)c(C#CCCO)c1 ZINC000049621826 169310296 /nfs/dbraw/zinc/31/02/96/169310296.db2.gz VEVULOMRFFZPET-UHFFFAOYSA-N 0 0 248.322 2.356 10 30 BEEERN CCCOc1ccc([C@@H](C#N)NCCCO)cc1 ZINC000020176392 169320997 /nfs/dbraw/zinc/32/09/97/169320997.db2.gz HSBOFZMYRQTQPB-CQSZACIVSA-N 0 0 248.326 2.012 10 30 BEEERN CCCOc1ccccc1OCC[C@@H](N)C#N ZINC000062443587 169327474 /nfs/dbraw/zinc/32/74/74/169327474.db2.gz ITKOWZXJUNNUGT-LLVKDONJSA-N 0 0 234.299 2.095 10 30 BEEERN CCC[C@@H](C)N(C)c1ncc(N)cc1C#N ZINC000037759139 169366588 /nfs/dbraw/zinc/36/65/88/169366588.db2.gz JGWFKPAZWZLZTO-SECBINFHSA-N 0 0 218.304 2.160 10 30 BEEERN CCC[C@@H]1C[C@@H]1Nc1nc(C)cc(C#N)n1 ZINC000288546573 169434752 /nfs/dbraw/zinc/43/47/52/169434752.db2.gz VJUREKSLVHMZMT-KOLCDFICSA-N 0 0 216.288 2.257 10 30 BEEERN CCC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000300424127 169434825 /nfs/dbraw/zinc/43/48/25/169434825.db2.gz YGWLWLXLVQBSHE-BDAKNGLRSA-N 0 0 246.270 2.462 10 30 BEEERN CCCc1cc(N(CC)C[C@H](C)C#N)ncn1 ZINC000042449947 169564785 /nfs/dbraw/zinc/56/47/85/169564785.db2.gz GRRWAAALAAPGDX-LLVKDONJSA-N 0 0 232.331 2.415 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@](C)(C#N)CC ZINC000300576812 535463325 /nfs/dbraw/zinc/46/33/25/535463325.db2.gz CYFLLXUJEAVNGD-SCVCMEIPSA-N 0 0 208.305 2.231 10 30 BEEERN CCN(C(=O)C1(C#N)CCCCC1)C1CC1 ZINC000044765464 169631122 /nfs/dbraw/zinc/63/11/22/169631122.db2.gz GWZUQNPFEAYUDC-UHFFFAOYSA-N 0 0 220.316 2.471 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CCOC1 ZINC000330202874 383918826 /nfs/dbraw/zinc/91/88/26/383918826.db2.gz ZWYFMTSTLUETDM-VWYCJHECSA-N 0 0 222.288 2.062 10 30 BEEERN CCOc1ccc(F)c(CC#N)c1C#N ZINC000575645499 383946835 /nfs/dbraw/zinc/94/68/35/383946835.db2.gz PUZKOWACZNLOFC-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN Cc1ccn([C@H]2CC[C@H](C)C2)c(=O)c1C#N ZINC000334936212 383974784 /nfs/dbraw/zinc/97/47/84/383974784.db2.gz ZHKGSCMFMFXFQM-ONGXEEELSA-N 0 0 216.284 2.390 10 30 BEEERN Cc1ccnc(N2C[C@@H]3CCC[C@H]32)c1C#N ZINC000336500292 384017149 /nfs/dbraw/zinc/01/71/49/384017149.db2.gz YEVMJANJTPUFDS-CMPLNLGQSA-N 0 0 213.284 2.250 10 30 BEEERN CCOc1cc(C#N)c(C)cc1CC#N ZINC000575651072 384073288 /nfs/dbraw/zinc/07/32/88/384073288.db2.gz VGHGDYOUJXTKQN-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN C[C@H](CC#N)NC(=O)C(C)(C)c1cccs1 ZINC000115350553 384078853 /nfs/dbraw/zinc/07/88/53/384078853.db2.gz LMBVTFDJEVNLPI-SECBINFHSA-N 0 0 236.340 2.444 10 30 BEEERN CCN(CC#N)C[C@@H]1Cc2ccccc21 ZINC000090976998 384080137 /nfs/dbraw/zinc/08/01/37/384080137.db2.gz CQNCNPNXLSLOPE-LBPRGKRZSA-N 0 0 200.285 2.172 10 30 BEEERN C=C(OC)C(C(C)=O)C(=O)c1ccccc1 ZINC000072416119 384117669 /nfs/dbraw/zinc/11/76/69/384117669.db2.gz FRRUAFQWQSLGDP-ZRDIBKRKSA-N 0 0 218.252 2.379 10 30 BEEERN Cc1ccc(C(=O)NC2(C#N)CCCC2)c(O)c1 ZINC000040217098 384131172 /nfs/dbraw/zinc/13/11/72/384131172.db2.gz YZGZNWBHQPXQOY-UHFFFAOYSA-N 0 0 244.294 2.267 10 30 BEEERN Cc1ccc(CC(=O)NC2(C#N)CCCC2)cc1 ZINC000040216363 384131453 /nfs/dbraw/zinc/13/14/53/384131453.db2.gz AUJRWSPVSYFVEY-UHFFFAOYSA-N 0 0 242.322 2.490 10 30 BEEERN C=C1CCCC(C)(C)[C@@]1(O)/C=C/[C@H](C)O ZINC000014587656 384244162 /nfs/dbraw/zinc/24/41/62/384244162.db2.gz UAZPGDNBPIYJFY-HIJAYFPSSA-N 0 0 210.317 2.421 10 30 BEEERN CCC[C@H]1C[C@@H]1Nc1ccc(C#N)c(C)n1 ZINC000336671266 384250812 /nfs/dbraw/zinc/25/08/12/384250812.db2.gz SDTMTOWTIJVFHR-JQWIXIFHSA-N 0 0 215.300 2.284 10 30 BEEERN CCC[C@H]1C[C@@H]1Nc1cc(C)nc(C#N)c1 ZINC000336677912 384251970 /nfs/dbraw/zinc/25/19/70/384251970.db2.gz CCSHJNBVCUOPJU-GWCFXTLKSA-N 0 0 215.300 2.284 10 30 BEEERN CCC[C@H]1C[C@@H]1Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000233446898 384346878 /nfs/dbraw/zinc/34/68/78/384346878.db2.gz WZSFWTVULZWYOM-UWVGGRQHSA-N 0 0 246.270 2.462 10 30 BEEERN N#Cc1ccc(F)c(OC(F)F)c1[N+](=O)[O-] ZINC000575661658 384417607 /nfs/dbraw/zinc/41/76/07/384417607.db2.gz RMLKHQSVRSPVOM-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN N#CCc1c(F)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575662049 384417919 /nfs/dbraw/zinc/41/79/19/384417919.db2.gz VWCZEPXQBSKLGF-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN COc1cc(O)c(OC(F)F)c(CC#N)c1 ZINC000575663028 384423107 /nfs/dbraw/zinc/42/31/07/384423107.db2.gz PMYVZIZOJLTYAY-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN C[C@@H](O)C(C)(C)Nc1cccc(F)c1C#N ZINC000135517185 384448170 /nfs/dbraw/zinc/44/81/70/384448170.db2.gz HMDJPVGPYKTRRN-MRVPVSSYSA-N 0 0 222.263 2.269 10 30 BEEERN CCOc1c(F)cc(C#N)cc1[N+](=O)[O-] ZINC000575671364 384465167 /nfs/dbraw/zinc/46/51/67/384465167.db2.gz WYQRMEADJDEHIR-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN C=CCC(CC=C)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000150827085 384511861 /nfs/dbraw/zinc/51/18/61/384511861.db2.gz JDXAFRIWJMUTJG-RYUDHWBXSA-N 0 0 237.343 2.391 10 30 BEEERN C[C@]1(O)CC(=O)C=C(c2ccccc2F)C1 ZINC000040174884 384544386 /nfs/dbraw/zinc/54/43/86/384544386.db2.gz BYBFLAOZRHXOPL-CYBMUJFWSA-N 0 0 220.243 2.323 10 30 BEEERN COc1c(O)c(Br)ccc1CC#N ZINC000258349694 384568520 /nfs/dbraw/zinc/56/85/20/384568520.db2.gz QSIATCUFDIBFRO-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN CC(C)(C)OC(=O)N(CC=O)C(C)(C)C ZINC000098210118 384604009 /nfs/dbraw/zinc/60/40/09/384604009.db2.gz KUADEIPKYZMRBG-UHFFFAOYSA-N 0 0 215.293 2.221 10 30 BEEERN C=C[C@H]1OC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000135914793 384612003 /nfs/dbraw/zinc/61/20/03/384612003.db2.gz DOFMANRUKKLSMG-GHMZBOCLSA-N 0 0 219.240 2.031 10 30 BEEERN N#Cc1ccc(C2(O)CCSCC2)cc1 ZINC000261360905 384623204 /nfs/dbraw/zinc/62/32/04/384623204.db2.gz ZVQAGSGNVBNHFN-UHFFFAOYSA-N 0 0 219.309 2.273 10 30 BEEERN C[C@@H]1CSC[C@]1(O)c1cccc(C#N)c1 ZINC000521401848 384630041 /nfs/dbraw/zinc/63/00/41/384630041.db2.gz RKFMWIDPXFEFDD-BXKDBHETSA-N 0 0 219.309 2.129 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C=O ZINC000098096004 384593038 /nfs/dbraw/zinc/59/30/38/384593038.db2.gz UQRDWBUTDRBGSD-ZRUFSTJUSA-N 0 0 239.315 2.125 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@]1(C)C=O ZINC000098095984 384594031 /nfs/dbraw/zinc/59/40/31/384594031.db2.gz WFKBTVBJRXEGPV-CABZTGNLSA-N 0 0 227.304 2.269 10 30 BEEERN CC[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@H]1C ZINC000300239747 384827225 /nfs/dbraw/zinc/82/72/25/384827225.db2.gz DOXICWSXJISOSC-CKYFFXLPSA-N 0 0 208.305 2.231 10 30 BEEERN N#CCN1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174381040 384784309 /nfs/dbraw/zinc/78/43/09/384784309.db2.gz JFUXTOJWDUKGRV-ZIAGYGMSSA-N 0 0 230.311 2.098 10 30 BEEERN N#CCc1c(C(F)(F)F)ccc(F)c1CO ZINC000575705850 384794396 /nfs/dbraw/zinc/79/43/96/384794396.db2.gz OYDQBAFFASPQFG-UHFFFAOYSA-N 0 0 233.164 2.403 10 30 BEEERN N#CCc1ccc(CO)c(C(F)(F)F)c1F ZINC000575705803 384799199 /nfs/dbraw/zinc/79/91/99/384799199.db2.gz NUKACQUZRXYHAP-UHFFFAOYSA-N 0 0 233.164 2.403 10 30 BEEERN CCOc1cc(OC(F)F)c(CC#N)cc1N ZINC000575715959 384873994 /nfs/dbraw/zinc/87/39/94/384873994.db2.gz ATYXXMHAJYNIPE-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN C=CCCCC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000175233242 384883634 /nfs/dbraw/zinc/88/36/34/384883634.db2.gz TZIYTKJTSCCJGV-MNOVXSKESA-N 0 0 211.305 2.026 10 30 BEEERN N#CCc1cc(F)c(Br)cc1N ZINC000575714088 384862280 /nfs/dbraw/zinc/86/22/80/384862280.db2.gz KOAYELKALLMKQQ-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN CCc1cc([C@@H](C#N)C(C)=O)ccc1OC ZINC000049816274 384902942 /nfs/dbraw/zinc/90/29/42/384902942.db2.gz YXNQUNMZRBWOEA-LBPRGKRZSA-N 0 0 217.268 2.454 10 30 BEEERN CN(CCC#N)C(=O)CSC1CCCC1 ZINC000057622880 384958580 /nfs/dbraw/zinc/95/85/80/384958580.db2.gz JYNWBEPEHPENBQ-UHFFFAOYSA-N 0 0 226.345 2.034 10 30 BEEERN CC1(C)C[C@@H](O)c2cc(C#N)ccc2O1 ZINC000034307529 385141677 /nfs/dbraw/zinc/14/16/77/385141677.db2.gz ULYAWVILEMYVIZ-SNVBAGLBSA-N 0 0 203.241 2.153 10 30 BEEERN CCO[C@@H](CCNc1cnc(C#N)cn1)C(C)C ZINC000126114220 385182198 /nfs/dbraw/zinc/18/21/98/385182198.db2.gz RLPRJLBUGCVLSU-LBPRGKRZSA-N 0 0 248.330 2.211 10 30 BEEERN C=C(Br)CN1CC[C@H]2OCC[C@H]2C1 ZINC000306788398 385197326 /nfs/dbraw/zinc/19/73/26/385197326.db2.gz OIYLONOXEKBAMM-VHSXEESVSA-N 0 0 246.148 2.006 10 30 BEEERN Cc1ccnc(NC[C@@H]2CCCC[C@@H]2O)c1C#N ZINC000135081846 385152413 /nfs/dbraw/zinc/15/24/13/385152413.db2.gz YJXIVYKROHQESK-AAEUAGOBSA-N 0 0 245.326 2.225 10 30 BEEERN C[C@H](CC#N)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000129573697 385161856 /nfs/dbraw/zinc/16/18/56/385161856.db2.gz VZUFIOZPYDXJDB-MRVPVSSYSA-N 0 0 239.300 2.390 10 30 BEEERN C[C@H]1CC[C@H](C(=O)N(C)c2ccc(C#N)cc2)O1 ZINC000158195270 385252210 /nfs/dbraw/zinc/25/22/10/385252210.db2.gz AIZPSBHYFQRIFR-GXFFZTMASA-N 0 0 244.294 2.089 10 30 BEEERN Cc1c(O)cc(C#N)cc1Br ZINC000258173513 385546589 /nfs/dbraw/zinc/54/65/89/385546589.db2.gz ZAXINILFMNBVCA-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN N#Cc1ccc([C@@H]2CCCO2)nc1Cl ZINC000258017296 385522134 /nfs/dbraw/zinc/52/21/34/385522134.db2.gz HSMNIWSHQZPUJC-VIFPVBQESA-N 0 0 208.648 2.458 10 30 BEEERN COc1cc(F)c(F)c(CC#N)c1F ZINC000257977874 385522590 /nfs/dbraw/zinc/52/25/90/385522590.db2.gz ACGAYXQXOKQAFF-UHFFFAOYSA-N 0 0 201.147 2.179 10 30 BEEERN CCOC(=O)c1cc(OC)c(Cl)cc1C#N ZINC000259949320 385614349 /nfs/dbraw/zinc/61/43/49/385614349.db2.gz FNWDXYJFHFGYPE-UHFFFAOYSA-N 0 0 239.658 2.397 10 30 BEEERN C=CC[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000309528029 385665117 /nfs/dbraw/zinc/66/51/17/385665117.db2.gz BGJBZIMVHYJZIL-TZMCWYRMSA-N 0 0 217.312 2.058 10 30 BEEERN CN[C@@H](C#N)c1c(F)cccc1Br ZINC000306967927 385731346 /nfs/dbraw/zinc/73/13/46/385731346.db2.gz HBKMCHSLUZLNQG-QMMMGPOBSA-N 0 0 243.079 2.372 10 30 BEEERN C[C@@H]1CCC[C@H](C)N(c2nccc(C#N)n2)C1 ZINC000408459484 385725290 /nfs/dbraw/zinc/72/52/90/385725290.db2.gz YBADIFVXWNAUSZ-MNOVXSKESA-N 0 0 230.315 2.363 10 30 BEEERN N#Cc1cc(OC(F)F)cc(F)c1F ZINC000307095815 385904411 /nfs/dbraw/zinc/90/44/11/385904411.db2.gz GXRDKCFWAOFTFK-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN CC(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408241390 385875132 /nfs/dbraw/zinc/87/51/32/385875132.db2.gz WFUUOPCTXSQFGP-QJPTWQEYSA-N 0 0 222.332 2.477 10 30 BEEERN CC#CCCNc1cnn(C)c1Br ZINC000575531820 385881180 /nfs/dbraw/zinc/88/11/80/385881180.db2.gz PYNRMWWSODVJSK-UHFFFAOYSA-N 0 0 242.120 2.008 10 30 BEEERN C#CC[C@@H](CC)Nc1nc(Cl)nc(Cl)n1 ZINC000229317558 386100991 /nfs/dbraw/zinc/10/09/91/386100991.db2.gz DMFOCFLKKHGRAQ-ZCFIWIBFSA-N 0 0 245.113 2.392 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ncccc1Cl ZINC000334465868 386126707 /nfs/dbraw/zinc/12/67/07/386126707.db2.gz CWFNNARUMMUINR-PSASIEDQSA-N 0 0 249.701 2.157 10 30 BEEERN C[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)C(C)(F)F ZINC000328337227 386472746 /nfs/dbraw/zinc/47/27/46/386472746.db2.gz JPQCHWBILMNOIS-VGMNWLOBSA-N 0 0 230.258 2.086 10 30 BEEERN NC(=NO)c1nccc2c(F)ccc(Cl)c21 ZINC000521401349 386457362 /nfs/dbraw/zinc/45/73/62/386457362.db2.gz NSYIVRQHIYOBEO-UHFFFAOYSA-N 0 0 239.637 2.122 10 30 BEEERN CCC[C@@H](O)C#Cc1ccccc1OC ZINC000095938889 386555766 /nfs/dbraw/zinc/55/57/66/386555766.db2.gz DZCMHFQWBKKIIK-GFCCVEGCSA-N 0 0 204.269 2.208 10 30 BEEERN C=C=CC(=O)c1ccoc1Br ZINC000232464169 386646241 /nfs/dbraw/zinc/64/62/41/386646241.db2.gz KHBAJEPPTHVGAF-UHFFFAOYSA-N 0 0 213.030 2.248 10 30 BEEERN CCc1ncc(NC(=O)N2C[C@H]3CCC[C@@H]32)cn1 ZINC000328606463 386600091 /nfs/dbraw/zinc/60/00/91/386600091.db2.gz KLIJFVKKRBWPNN-KOLCDFICSA-N 0 0 246.314 2.069 10 30 BEEERN C#CCOc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 ZINC000129801828 533183117 /nfs/dbraw/zinc/18/31/17/533183117.db2.gz WMRWMHAZUMSPNP-LBPRGKRZSA-N 0 0 245.322 2.473 10 30 BEEERN COC(=O)c1c(OC)ccc(C#N)c1C(F)F ZINC000575343657 386691707 /nfs/dbraw/zinc/69/17/07/386691707.db2.gz WUEMZJUASJGWMV-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1c(OC)ccc(C(F)F)c1C#N ZINC000575343635 386692291 /nfs/dbraw/zinc/69/22/91/386692291.db2.gz UENYTAYNYZBWLN-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1c(F)ccc(C#N)c1Cl ZINC000306930105 386751062 /nfs/dbraw/zinc/75/10/62/386751062.db2.gz BNOSJNORTXYCQR-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN C[S@](=O)/N=C/c1sc(Cl)nc1Cl ZINC000575449320 386791600 /nfs/dbraw/zinc/79/16/00/386791600.db2.gz JYBRSDCMGDCCFG-NKWNXKNASA-N 0 0 243.140 2.162 10 30 BEEERN CC#CCNc1ccc(NC(C)=O)cc1 ZINC000051662805 386835389 /nfs/dbraw/zinc/83/53/89/386835389.db2.gz DLMMVHDWWBUERF-UHFFFAOYSA-N 0 0 202.257 2.080 10 30 BEEERN C=CCNc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053164787 386934700 /nfs/dbraw/zinc/93/47/00/386934700.db2.gz NMQALVLAXDTCDT-UHFFFAOYSA-N 0 0 214.171 2.471 10 30 BEEERN CCc1c(C#N)ccc(CC(=O)OC)c1CC ZINC000575385297 386942918 /nfs/dbraw/zinc/94/29/18/386942918.db2.gz JNDVBTBLRBTMGF-UHFFFAOYSA-N 0 0 231.295 2.399 10 30 BEEERN CCc1ccc(CC)c(CC(=O)OC)c1C#N ZINC000575385366 386943429 /nfs/dbraw/zinc/94/34/29/386943429.db2.gz MZQBEMCHLPDOSX-UHFFFAOYSA-N 0 0 231.295 2.399 10 30 BEEERN CCc1cc(C#N)c(CC(=O)OC)c(CC)c1 ZINC000575385407 386945966 /nfs/dbraw/zinc/94/59/66/386945966.db2.gz OOOOTPWNTGIEEB-UHFFFAOYSA-N 0 0 231.295 2.399 10 30 BEEERN COC(=O)c1cc(C#N)c(C)cc1OC(F)F ZINC000575388861 386953114 /nfs/dbraw/zinc/95/31/14/386953114.db2.gz ZKJLNNFDMQRPHQ-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN CCOC(=O)c1ccc(CC)c(C#N)c1[N+](=O)[O-] ZINC000575388913 386953216 /nfs/dbraw/zinc/95/32/16/386953216.db2.gz KULSCIZMBVZTGA-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN COC(=O)Cc1cc(F)c(C#N)c(C(F)F)c1 ZINC000575389766 386954215 /nfs/dbraw/zinc/95/42/15/386954215.db2.gz QMUGWPDGJJGIHU-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN COC(=O)c1ccc(C#N)c(C=O)c1C(F)F ZINC000575389998 386954682 /nfs/dbraw/zinc/95/46/82/386954682.db2.gz ZCVYOULBYYUJLK-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN COC(=O)c1ccc(C=O)c(C(F)F)c1C#N ZINC000575389715 386954721 /nfs/dbraw/zinc/95/47/21/386954721.db2.gz LSJWVTVZIFNNQM-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN COC(=O)c1cc(C=O)c(C(F)F)cc1C#N ZINC000575389949 386955027 /nfs/dbraw/zinc/95/50/27/386955027.db2.gz VVYSQTNYGRRTFX-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN CCOC(=O)Cc1c(C=O)cc(C#N)cc1CC ZINC000575387837 386957249 /nfs/dbraw/zinc/95/72/49/386957249.db2.gz XRFHOCFAUTXPHU-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)Cc1c(CC)cc(C#N)cc1OC ZINC000575387997 386958035 /nfs/dbraw/zinc/95/80/35/386958035.db2.gz 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CCOC(=O)c1c(C#N)ccc(C=O)c1CC ZINC000575387634 386949233 /nfs/dbraw/zinc/94/92/33/386949233.db2.gz NGZXQPAHTAGPLV-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1C=O ZINC000575387703 386951114 /nfs/dbraw/zinc/95/11/14/386951114.db2.gz OVQKOTSFAYUBJE-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN COC(=O)c1ccc(C#N)c(OC(F)F)c1C ZINC000575388405 386951259 /nfs/dbraw/zinc/95/12/59/386951259.db2.gz HSBDSHLBNPNYGP-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN COC(=O)c1cc(OC(F)F)cc(C#N)c1C ZINC000575388371 386951281 /nfs/dbraw/zinc/95/12/81/386951281.db2.gz GRSCODONOOGGJO-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN COC(=O)c1cc(C#N)c(OC(F)F)cc1C ZINC000575388372 386951883 /nfs/dbraw/zinc/95/18/83/386951883.db2.gz GWRXIQJZXCGNCM-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN CCOc1c(C#N)cc(O)cc1OC(F)F ZINC000575657281 387043295 /nfs/dbraw/zinc/04/32/95/387043295.db2.gz RVKAICILLSQDJJ-UHFFFAOYSA-N 0 0 229.182 2.264 10 30 BEEERN N#CCc1cc(OC(F)F)cc(F)c1[N+](=O)[O-] ZINC000575660947 387051603 /nfs/dbraw/zinc/05/16/03/387051603.db2.gz CGOPVNABOPPKCO-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN N#Cc1c(F)c([N+](=O)[O-])ccc1OC(F)F ZINC000575661092 387054668 /nfs/dbraw/zinc/05/46/68/387054668.db2.gz IQDVOWHQUOVFDG-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN C[C@@H](CC#N)C(=O)N(C)c1ccccc1 ZINC000049812395 387062454 /nfs/dbraw/zinc/06/24/54/387062454.db2.gz DCJSALWAQSIGDF-JTQLQIEISA-N 0 0 202.257 2.199 10 30 BEEERN C[C@H](CC#N)C(=O)N(C)c1ccccc1 ZINC000049812396 387062498 /nfs/dbraw/zinc/06/24/98/387062498.db2.gz DCJSALWAQSIGDF-SNVBAGLBSA-N 0 0 202.257 2.199 10 30 BEEERN C[C@@H]1N=C(NCC(C)(F)F)S[C@H]1C ZINC000575465888 387063299 /nfs/dbraw/zinc/06/32/99/387063299.db2.gz CAVIWDFACRJWLQ-WDSKDSINSA-N 0 0 208.277 2.111 10 30 BEEERN N#CCc1cc(F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575661640 387113319 /nfs/dbraw/zinc/11/33/19/387113319.db2.gz OMWGMXMGJZWOHZ-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN N#CCc1cc(OC(F)F)c(F)cc1[N+](=O)[O-] ZINC000575661249 387068156 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221.256 2.169 10 30 BEEERN CCC[C@H](C)NC(=O)N[C@H]1CCC[C@H]1C#N ZINC000613145715 387398851 /nfs/dbraw/zinc/39/88/51/387398851.db2.gz BQVHCYJSYHZWNF-DCAQKATOSA-N 0 0 223.320 2.166 10 30 BEEERN CCOc1cc(C)c(CC#N)cc1[N+](=O)[O-] ZINC000575699229 387401970 /nfs/dbraw/zinc/40/19/70/387401970.db2.gz RJDUZUBYMLNYJT-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN N#CCc1cc(O)c(F)cc1OC(F)(F)F ZINC000575705335 387409424 /nfs/dbraw/zinc/40/94/24/387409424.db2.gz WSASLNNBMMSYFE-UHFFFAOYSA-N 0 0 235.136 2.496 10 30 BEEERN N#CCc1c(F)c(OC(F)(F)F)ccc1CO ZINC000575706026 387410876 /nfs/dbraw/zinc/41/08/76/387410876.db2.gz QHDIYRQAEXTBGF-UHFFFAOYSA-N 0 0 249.163 2.283 10 30 BEEERN C=CC[C@H](Cc1ccccc1)N1C(=O)CCC1=O ZINC000584623751 387502568 /nfs/dbraw/zinc/50/25/68/387502568.db2.gz NJSHTVOILZWWSW-CYBMUJFWSA-N 0 0 243.306 2.323 10 30 BEEERN C=CC[C@@H](Cc1ccccc1)N1C(=O)CCC1=O ZINC000584623753 387502616 /nfs/dbraw/zinc/50/26/16/387502616.db2.gz NJSHTVOILZWWSW-ZDUSSCGKSA-N 0 0 243.306 2.323 10 30 BEEERN CC(C)[C@@H](C)NC(=O)c1cccc(F)c1C#N ZINC000186088158 387510098 /nfs/dbraw/zinc/51/00/98/387510098.db2.gz JUBSLFFLEPDZRI-SECBINFHSA-N 0 0 234.274 2.472 10 30 BEEERN CCOc1ccc(C(=O)C/C=N/OC)cc1 ZINC000103160530 387515829 /nfs/dbraw/zinc/51/58/29/387515829.db2.gz KGCUSWBNJOJFHW-UKTHLTGXSA-N 0 0 221.256 2.290 10 30 BEEERN CCn1ccnc1COc1ccc(C#N)cc1 ZINC000052345205 387467952 /nfs/dbraw/zinc/46/79/52/387467952.db2.gz FLXSRQGKQAWELF-UHFFFAOYSA-N 0 0 227.267 2.354 10 30 BEEERN CC=CC(=O)[C@H]1SCCS[C@H]1C ZINC000575550397 387644324 /nfs/dbraw/zinc/64/43/24/387644324.db2.gz RKODBOYSVQTHOI-AHRVOVDLSA-N 0 0 202.344 2.369 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccoc1Cl ZINC000236041608 387873285 /nfs/dbraw/zinc/87/32/85/387873285.db2.gz ROYWUXSYQTVSJZ-APPZFPTMSA-N 0 0 238.674 2.355 10 30 BEEERN CCOc1cc(C#N)c(OCC)c(CC#N)c1 ZINC000575639464 387836531 /nfs/dbraw/zinc/83/65/31/387836531.db2.gz IHPNOSSGLSPRRO-UHFFFAOYSA-N 0 0 230.267 2.422 10 30 BEEERN COc1cc(C#N)c(OC(F)F)c(CC#N)c1 ZINC000575641649 387842881 /nfs/dbraw/zinc/84/28/81/387842881.db2.gz RYZCNYBQXAOBPF-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)c(O)c1 ZINC000061888730 387848645 /nfs/dbraw/zinc/84/86/45/387848645.db2.gz RJCLYROHRSSPHY-JQWIXIFHSA-N 0 0 244.294 2.123 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)o1 ZINC000061888771 387848871 /nfs/dbraw/zinc/84/88/71/387848871.db2.gz MRXOREWAVLYEHA-NXEZZACHSA-N 0 0 218.256 2.010 10 30 BEEERN N#CCc1c(O)cc(C#N)cc1C(F)F ZINC000575643059 387866927 /nfs/dbraw/zinc/86/69/27/387866927.db2.gz MFRRXNCNPBJRIV-UHFFFAOYSA-N 0 0 208.167 2.268 10 30 BEEERN CCOc1c(F)cc(C#N)cc1CC#N ZINC000575643973 387871203 /nfs/dbraw/zinc/87/12/03/387871203.db2.gz JXARAHFHXNZDOU-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCc1cc(O)c(OC(F)F)c(C#N)c1 ZINC000575653266 387894277 /nfs/dbraw/zinc/89/42/77/387894277.db2.gz CXEJIQWGHWDXII-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCc1c(O)cc(OC(F)F)cc1C#N ZINC000575653478 387895768 /nfs/dbraw/zinc/89/57/68/387895768.db2.gz IZRQAWQFZXLLMN-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCc1cc(C#N)c(OC(F)F)cc1O ZINC000575654245 387897559 /nfs/dbraw/zinc/89/75/59/387897559.db2.gz XHGJASDOEVDHQF-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCc1cc(CC#N)c(C#N)c(OC)c1 ZINC000575648613 387884885 /nfs/dbraw/zinc/88/48/85/387884885.db2.gz VWOXBSUCSNJUMA-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN COc1ccc(CC#N)c(OC(F)F)c1OC ZINC000575652568 387902493 /nfs/dbraw/zinc/90/24/93/387902493.db2.gz IEVYGLGUVMCLCM-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN C=CCCCC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000175233274 387907330 /nfs/dbraw/zinc/90/73/30/387907330.db2.gz TZIYTKJTSCCJGV-GHMZBOCLSA-N 0 0 211.305 2.026 10 30 BEEERN N#Cc1cc(OC(F)(F)F)c(CF)cn1 ZINC000238694276 387929585 /nfs/dbraw/zinc/92/95/85/387929585.db2.gz CJMGLLLTMBLTDR-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN C=CCN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195511908 387921658 /nfs/dbraw/zinc/92/16/58/387921658.db2.gz RCGJGSUAOWLYBG-LBPRGKRZSA-N 0 0 246.358 2.327 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@@H]2C[C@@H]2C)n1 ZINC000052291216 177837880 /nfs/dbraw/zinc/83/78/80/177837880.db2.gz LQAQSYQKHYSCHT-GZMMTYOYSA-N 0 0 201.273 2.390 10 30 BEEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000185046794 387953180 /nfs/dbraw/zinc/95/31/80/387953180.db2.gz LLAXKZNIOWNHDR-SRVKXCTJSA-N 0 0 225.332 2.272 10 30 BEEERN C[Si](C)(C)C#Cc1ccc(C=O)nc1 ZINC000195852830 135053336 /nfs/dbraw/zinc/05/33/36/135053336.db2.gz JCQNKUBVOFBAJF-UHFFFAOYSA-N 0 0 203.317 2.123 10 30 BEEERN C=C(C)CN(CC)Cc1nnc(C)n1CC ZINC000195430214 388163689 /nfs/dbraw/zinc/16/36/89/388163689.db2.gz PMFCVNKZRHXDPR-UHFFFAOYSA-N 0 0 222.336 2.004 10 30 BEEERN C#CCN(C(=O)[C@H]1CC[C@H](C)O1)C1CCCCC1 ZINC000490820441 388255755 /nfs/dbraw/zinc/25/57/55/388255755.db2.gz OKPIGZHAKGHHMS-GXTWGEPZSA-N 0 0 249.354 2.348 10 30 BEEERN Cc1ccoc1CN[C@@H]1CCC[C@@H]1C#N ZINC000164661406 388243018 /nfs/dbraw/zinc/24/30/18/388243018.db2.gz IXDRPKQSIUZYIX-GHMZBOCLSA-N 0 0 204.273 2.370 10 30 BEEERN CCOc1c(O)cc(OC(F)F)cc1CC#N ZINC000575657867 388475023 /nfs/dbraw/zinc/47/50/23/388475023.db2.gz WTSWKLDYOPLVNU-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN C[C@@H](Nc1cnc(C#N)cn1)C(C)(C)C ZINC000122777828 388476301 /nfs/dbraw/zinc/47/63/01/388476301.db2.gz ASZSHPRIBYTORF-MRVPVSSYSA-N 0 0 204.277 2.195 10 30 BEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000184646347 256847991 /nfs/dbraw/zinc/84/79/91/256847991.db2.gz VSQPMAXLNZPDTP-XQQFMLRXSA-N 0 0 239.359 2.256 10 30 BEEERN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000184143389 388574680 /nfs/dbraw/zinc/57/46/80/388574680.db2.gz YYZHKGUQIJFDSV-AVGNSLFASA-N 0 0 239.359 2.256 10 30 BEEERN C[C@H](O)C1CCN(c2ccc(C#N)cc2)CC1 ZINC000110599948 388647353 /nfs/dbraw/zinc/64/73/53/388647353.db2.gz QJHGPUQTQKBVIX-NSHDSACASA-N 0 0 230.311 2.155 10 30 BEEERN Cc1nnc(SC2CCOCC2)c(C#N)c1C ZINC000062054347 388649276 /nfs/dbraw/zinc/64/92/76/388649276.db2.gz MRSXBTHBBJNMGN-UHFFFAOYSA-N 0 0 249.339 2.236 10 30 BEEERN CSC[C@H](C)NC(=O)c1ccc(C#N)cc1C ZINC000124264378 388743905 /nfs/dbraw/zinc/74/39/05/388743905.db2.gz NYTIJHNVOWPMOM-JTQLQIEISA-N 0 0 248.351 2.348 10 30 BEEERN C=CCCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000127545949 388725806 /nfs/dbraw/zinc/72/58/06/388725806.db2.gz AVBOEVQMXVWEPS-AWEZNQCLSA-N 0 0 233.311 2.342 10 30 BEEERN C[S@@](=O)/N=C\c1sc(Cl)nc1Cl ZINC000575449323 388728460 /nfs/dbraw/zinc/72/84/60/388728460.db2.gz JYBRSDCMGDCCFG-YKSRWPRLSA-N 0 0 243.140 2.162 10 30 BEEERN C=CCSCCNC(=O)N[C@@H](C)C(C)C ZINC000194561931 388820849 /nfs/dbraw/zinc/82/08/49/388820849.db2.gz NHBICYNGOPZFCW-JTQLQIEISA-N 0 0 230.377 2.249 10 30 BEEERN CS[C@@H](C)CNC(=O)c1ccc(C#N)cc1C ZINC000131277627 388847447 /nfs/dbraw/zinc/84/74/47/388847447.db2.gz GDKPHCYPSLKSRX-JTQLQIEISA-N 0 0 248.351 2.348 10 30 BEEERN C[C@@H]1CC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495965 388964332 /nfs/dbraw/zinc/96/43/32/388964332.db2.gz GTEKBENNOQBPHI-KCJUWKMLSA-N 0 0 210.277 2.203 10 30 BEEERN Cc1cc(N2CCS[C@@H](C)C2)cc(C#N)n1 ZINC000308281420 132294635 /nfs/dbraw/zinc/29/46/35/132294635.db2.gz VKFXPLMUAZDZIC-JTQLQIEISA-N 0 0 233.340 2.203 10 30 BEEERN Cc1cc(C)cc(N2CCN(CCC#N)CC2)c1 ZINC000045952200 132299356 /nfs/dbraw/zinc/29/93/56/132299356.db2.gz GBMWKWKWDOVIGI-UHFFFAOYSA-N 0 0 243.354 2.339 10 30 BEEERN CC[C@H]1CCCN(c2ncc(N)cc2C#N)C1 ZINC000037759163 132345609 /nfs/dbraw/zinc/34/56/09/132345609.db2.gz OWLWVAJSXYTJLD-JTQLQIEISA-N 0 0 230.315 2.162 10 30 BEEERN C[C@@H](C#N)N1CCSc2ccc(N)cc21 ZINC000043516883 132353461 /nfs/dbraw/zinc/35/34/61/132353461.db2.gz AHNBKKWDXHKWGP-QMMMGPOBSA-N 0 0 219.313 2.093 10 30 BEEERN N#CCCCCN1c2ccc(N)cc2CCC1=O ZINC000049578599 132356236 /nfs/dbraw/zinc/35/62/36/132356236.db2.gz UMAZVNBZZZAMRH-UHFFFAOYSA-N 0 0 243.310 2.242 10 30 BEEERN O=CC1CCN(c2cnc3ccccc3n2)CC1 ZINC000054268421 132363757 /nfs/dbraw/zinc/36/37/57/132363757.db2.gz XNYOUEKEBDZQRP-UHFFFAOYSA-N 0 0 241.294 2.045 10 30 BEEERN Cc1cc(N2CCC(C=O)CC2)ccc1[N+](=O)[O-] ZINC000054268472 132363780 /nfs/dbraw/zinc/36/37/80/132363780.db2.gz LGLNARSSROSMHS-UHFFFAOYSA-N 0 0 248.282 2.319 10 30 BEEERN N#Cc1ccc(N2CCCC[C@H]2C=O)c(F)c1 ZINC000054268352 132363875 /nfs/dbraw/zinc/36/38/75/132363875.db2.gz CDTIABYWHGMBQC-NSHDSACASA-N 0 0 232.258 2.255 10 30 BEEERN Cc1cc(N2CCC[C@H](C=O)C2)nc(C(C)C)n1 ZINC000054268830 132363981 /nfs/dbraw/zinc/36/39/81/132363981.db2.gz ZUQMOZWAXTWQCD-LBPRGKRZSA-N 0 0 247.342 2.324 10 30 BEEERN Cc1cccc(N2CCN([C@H](C)C#N)CC2)c1C ZINC000057381967 132365637 /nfs/dbraw/zinc/36/56/37/132365637.db2.gz PVIJFILVORHGTD-CYBMUJFWSA-N 0 0 243.354 2.338 10 30 BEEERN Cc1cccc(N2CCN([C@@H](C)C#N)CC2)c1C ZINC000057381963 132365709 /nfs/dbraw/zinc/36/57/09/132365709.db2.gz PVIJFILVORHGTD-ZDUSSCGKSA-N 0 0 243.354 2.338 10 30 BEEERN COc1cccc(C(=O)NC2(C#N)CCC2)c1F ZINC000128097364 133474290 /nfs/dbraw/zinc/47/42/90/133474290.db2.gz SONBEYAXHFUSPK-UHFFFAOYSA-N 0 0 248.257 2.010 10 30 BEEERN C[C@@H]1CC[C@@]2(CCN(c3nccc(C#N)n3)C2)C1 ZINC000408457622 133497907 /nfs/dbraw/zinc/49/79/07/133497907.db2.gz PSOILBFCUWWBET-BXUZGUMPSA-N 0 0 242.326 2.365 10 30 BEEERN Cc1ccc(C#N)c(N2C[C@H]3CCC[C@H]32)n1 ZINC000334397316 133627322 /nfs/dbraw/zinc/62/73/22/133627322.db2.gz CPYDIHTUWBTAQW-VXGBXAGGSA-N 0 0 213.284 2.250 10 30 BEEERN C[C@H](C#N)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000336030939 134058397 /nfs/dbraw/zinc/05/83/97/134058397.db2.gz WQWXDDCSQWJCGY-ZJUUUORDSA-N 0 0 249.339 2.356 10 30 BEEERN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000336030938 134058443 /nfs/dbraw/zinc/05/84/43/134058443.db2.gz WQWXDDCSQWJCGY-VHSXEESVSA-N 0 0 249.339 2.356 10 30 BEEERN CN1CCN(CC2CCCCCC2)C[C@@H]1C#N ZINC000336433328 134147167 /nfs/dbraw/zinc/14/71/67/134147167.db2.gz XIVGIKCZACGCON-AWEZNQCLSA-N 0 0 235.375 2.096 10 30 BEEERN C=CCNC(=O)N(CC)[C@H](C)c1cccnc1 ZINC000115641871 134162197 /nfs/dbraw/zinc/16/21/97/134162197.db2.gz VEHPBUFWSNYHJB-LLVKDONJSA-N 0 0 233.315 2.360 10 30 BEEERN C=CCOc1ccc(CNCCC#N)cc1 ZINC000020200081 134223773 /nfs/dbraw/zinc/22/37/73/134223773.db2.gz OAAYURNWUDXAAI-UHFFFAOYSA-N 0 0 216.284 2.255 10 30 BEEERN COc1ccc([C@H](C)NCCC#N)cc1F ZINC000020200026 134223803 /nfs/dbraw/zinc/22/38/03/134223803.db2.gz JNQDAPGCSZVPME-VIFPVBQESA-N 0 0 222.263 2.399 10 30 BEEERN COc1ccc([C@H](C)NCC#N)cc1F ZINC000120141930 134228226 /nfs/dbraw/zinc/22/82/26/134228226.db2.gz KVQHSAZKNSBWSC-QMMMGPOBSA-N 0 0 208.236 2.008 10 30 BEEERN C=CCCCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000175727163 134288924 /nfs/dbraw/zinc/28/89/24/134288924.db2.gz LXUCGRBUMSBKFP-UHFFFAOYSA-N 0 0 247.342 2.472 10 30 BEEERN C=C(C)CN(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000180857844 134331860 /nfs/dbraw/zinc/33/18/60/134331860.db2.gz UEODVHKQOKGBIR-GFCCVEGCSA-N 0 0 246.310 2.338 10 30 BEEERN C=CCCCC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181355109 134335715 /nfs/dbraw/zinc/33/57/15/134335715.db2.gz SSQCDPIJCSWWBB-NSHDSACASA-N 0 0 248.330 2.215 10 30 BEEERN Cc1cc([C@@H]2CN([C@@H](C)C#N)CCO2)ccc1F ZINC000182302853 134343885 /nfs/dbraw/zinc/34/38/85/134343885.db2.gz CNHRNTDXOGUJBH-FZMZJTMJSA-N 0 0 248.301 2.420 10 30 BEEERN Cc1cnc([C@H](C)Nc2ccc(C#N)cn2)o1 ZINC000226547942 134366233 /nfs/dbraw/zinc/36/62/33/134366233.db2.gz RWYYQHNRWRZBHP-VIFPVBQESA-N 0 0 228.255 2.423 10 30 BEEERN Cc1ccc([C@H](C)NC(=O)C2(C#N)CCC2)o1 ZINC000083795581 134419645 /nfs/dbraw/zinc/41/96/45/134419645.db2.gz MJJWAKYUWQVEBG-JTQLQIEISA-N 0 0 232.283 2.459 10 30 BEEERN C[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cn1 ZINC000230057703 134479716 /nfs/dbraw/zinc/47/97/16/134479716.db2.gz LUMISOJPJGQSDM-GXSJLCMTSA-N 0 0 229.283 2.328 10 30 BEEERN C=CCOc1cccc(NC(=O)[C@H](C)COC)c1 ZINC000103385615 134480462 /nfs/dbraw/zinc/48/04/62/134480462.db2.gz UEPFLQGKBPIKPX-LLVKDONJSA-N 0 0 249.310 2.472 10 30 BEEERN Cc1ccnc(N[C@]2(C)CCCOC2)c1C#N ZINC000230088606 134481174 /nfs/dbraw/zinc/48/11/74/134481174.db2.gz GWPRZLSNYBFVCD-CYBMUJFWSA-N 0 0 231.299 2.243 10 30 BEEERN Cn1cc(C#N)cc1-c1nc([C@H]2CC2(C)C)no1 ZINC000230996252 134537489 /nfs/dbraw/zinc/53/74/89/134537489.db2.gz UDRPFTUBAGBHCE-SECBINFHSA-N 0 0 242.282 2.460 10 30 BEEERN Cc1nc(CN[C@@H]2CCC[C@@H]2C#N)oc1C ZINC000231655012 134542865 /nfs/dbraw/zinc/54/28/65/134542865.db2.gz DJMRPEKAUOJDCZ-GHMZBOCLSA-N 0 0 219.288 2.073 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccsc1 ZINC000061888968 134804165 /nfs/dbraw/zinc/80/41/65/134804165.db2.gz AMHQUHJTLMENPE-SCZZXKLOSA-N 0 0 220.297 2.170 10 30 BEEERN Cc1occc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061889143 134804197 /nfs/dbraw/zinc/80/41/97/134804197.db2.gz CPOQMHUIYRSQLA-MWLCHTKSSA-N 0 0 218.256 2.010 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccn1 ZINC000061890282 134804201 /nfs/dbraw/zinc/80/42/01/134804201.db2.gz XZALBHHBYKLUMN-PSASIEDQSA-N 0 0 249.701 2.157 10 30 BEEERN Cc1ccoc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061889151 134804544 /nfs/dbraw/zinc/80/45/44/134804544.db2.gz XGSZTOXUAPZPMA-NXEZZACHSA-N 0 0 218.256 2.010 10 30 BEEERN COc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061889256 134804695 /nfs/dbraw/zinc/80/46/95/134804695.db2.gz LKVVRULCOZSMOV-YPMHNXCESA-N 0 0 244.294 2.117 10 30 BEEERN CC(C)(C(=O)N[C@H]1CCC[C@H]1C#N)C(C)(F)F ZINC000336220073 134857784 /nfs/dbraw/zinc/85/77/84/134857784.db2.gz ZHRZXYNQIXJHTQ-IUCAKERBSA-N 0 0 244.285 2.476 10 30 BEEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)C#N ZINC000248467174 135012571 /nfs/dbraw/zinc/01/25/71/135012571.db2.gz SRPGJFKGBGIIEH-SKDRFNHKSA-N 0 0 232.331 2.086 10 30 BEEERN C[C@@H](C#N)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000248732839 135020222 /nfs/dbraw/zinc/02/02/22/135020222.db2.gz QIFDGIBFUCEDFS-FZMZJTMJSA-N 0 0 228.295 2.030 10 30 BEEERN Cc1ncsc1CN[C@H]1CCC[C@H]1C#N ZINC000084149407 135188228 /nfs/dbraw/zinc/18/82/28/135188228.db2.gz KZDZBNVLPFWMDW-UWVGGRQHSA-N 0 0 221.329 2.233 10 30 BEEERN CC#CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000121383110 135223348 /nfs/dbraw/zinc/22/33/48/135223348.db2.gz CPGCUSZFGJUKSW-WDEREUQCSA-N 0 0 249.260 2.208 10 30 BEEERN CC#CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000121382894 135223881 /nfs/dbraw/zinc/22/38/81/135223881.db2.gz CPGCUSZFGJUKSW-GHMZBOCLSA-N 0 0 249.260 2.208 10 30 BEEERN C[C@@H](O)[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000087127538 135502055 /nfs/dbraw/zinc/50/20/55/135502055.db2.gz YYKXWZKVXXTWDM-JGVFFNPUSA-N 0 0 224.691 2.393 10 30 BEEERN Cc1cc(N[C@@H]2C[C@H]2C)c(C#N)c(C)n1 ZINC000087975099 135514173 /nfs/dbraw/zinc/51/41/73/135514173.db2.gz QCZRFLILNFFKLY-RDDDGLTNSA-N 0 0 201.273 2.390 10 30 BEEERN C=C[C@](C)(CC)C(=O)NCCCCC(=O)OC ZINC000134987321 135552610 /nfs/dbraw/zinc/55/26/10/135552610.db2.gz BEOALOATNYNTON-CYBMUJFWSA-N 0 0 241.331 2.048 10 30 BEEERN C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000091973410 135568730 /nfs/dbraw/zinc/56/87/30/135568730.db2.gz WYPJNFWAUIMDGB-UTUOFQBUSA-N 0 0 235.331 2.120 10 30 BEEERN CC[C@@H](CC#N)NC(=O)C[C@@H](C)C(C)C ZINC000183909216 135593106 /nfs/dbraw/zinc/59/31/06/135593106.db2.gz ALYMXVIXLCGJKG-MNOVXSKESA-N 0 0 210.321 2.477 10 30 BEEERN CN1CCN(C(C)(C)C#N)Cc2ccccc21 ZINC000334559182 135698717 /nfs/dbraw/zinc/69/87/17/135698717.db2.gz PNTLQOZBRXMDQR-UHFFFAOYSA-N 0 0 229.327 2.241 10 30 BEEERN CC1=CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000335156407 135914001 /nfs/dbraw/zinc/91/40/01/135914001.db2.gz QPLYNBAIFAKATR-NWDGAFQWSA-N 0 0 233.315 2.040 10 30 BEEERN N#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)cc1 ZINC000335324333 136051012 /nfs/dbraw/zinc/05/10/12/136051012.db2.gz QRWQOBLQOUDNCZ-QWHCGFSZSA-N 0 0 226.279 2.183 10 30 BEEERN O=C[C@@H]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC000196746858 397912167 /nfs/dbraw/zinc/91/21/67/397912167.db2.gz QYOWBEDMFGCYFY-ZYHUDNBSSA-N 0 0 202.253 2.485 10 30 BEEERN CC[C@@H](C#N)N1CCC=C(Br)C1 ZINC000307015958 397968644 /nfs/dbraw/zinc/96/86/44/397968644.db2.gz OIDZCPPAGQRDGQ-VIFPVBQESA-N 0 0 229.121 2.273 10 30 BEEERN N#Cc1cc(OC(F)F)c(Cl)cn1 ZINC000307151573 397989718 /nfs/dbraw/zinc/98/97/18/397989718.db2.gz DQLPEXZZGFIHDR-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN CCOc1cccc(CC=O)c1OCC ZINC000205069727 397997292 /nfs/dbraw/zinc/99/72/92/397997292.db2.gz ATSQUOBKZURQPB-UHFFFAOYSA-N 0 0 208.257 2.225 10 30 BEEERN O=C(C#CBr)N1CCCCCCC1 ZINC000307172942 398002971 /nfs/dbraw/zinc/00/29/71/398002971.db2.gz QKRUGBRUNCGGQY-UHFFFAOYSA-N 0 0 244.132 2.135 10 30 BEEERN C#CC[C@@H](O)c1cc(N)cc(Br)c1 ZINC000575480766 398022864 /nfs/dbraw/zinc/02/28/64/398022864.db2.gz ZNUVFMKLGLIJEW-SNVBAGLBSA-N 0 0 240.100 2.088 10 30 BEEERN N#CCc1ccc(OC(F)F)c([N+](=O)[O-])c1F ZINC000575661474 398055311 /nfs/dbraw/zinc/05/53/11/398055311.db2.gz KSAUEMLRTYOBFJ-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000061889282 398107827 /nfs/dbraw/zinc/10/78/27/398107827.db2.gz PCDCROSOIBHNDP-STQMWFEESA-N 0 0 228.295 2.417 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061889279 398108110 /nfs/dbraw/zinc/10/81/10/398108110.db2.gz PCDCROSOIBHNDP-CHWSQXEVSA-N 0 0 228.295 2.417 10 30 BEEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](CC)CC1 ZINC000301049875 487572022 /nfs/dbraw/zinc/57/20/22/487572022.db2.gz SAGACKPRXTVBMV-QWRGUYRKSA-N 0 0 211.305 2.138 10 30 BEEERN CC(C)OCCN(C)c1cccc(C#N)c1 ZINC000059183974 167230044 /nfs/dbraw/zinc/23/00/44/167230044.db2.gz UJPRNJHACVSTIS-UHFFFAOYSA-N 0 0 218.300 2.419 10 30 BEEERN CCc1ccc(OC)c(CC#N)c1OC ZINC000575697180 409937400 /nfs/dbraw/zinc/93/74/00/409937400.db2.gz XKHJUWCMVDYINA-UHFFFAOYSA-N 0 0 205.257 2.332 10 30 BEEERN C#CCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176366103 166176677 /nfs/dbraw/zinc/17/66/77/166176677.db2.gz AXQCBGNOJKMSGD-JTQLQIEISA-N 0 0 249.339 2.013 10 30 BEEERN C#CCN[C@@H](C(=O)OCC)c1ccc(CC)cc1 ZINC000051965008 166191196 /nfs/dbraw/zinc/19/11/96/166191196.db2.gz JPYAHBPRCZPMHD-CQSZACIVSA-N 0 0 245.322 2.076 10 30 BEEERN C#CC[C@@H](O)C1(c2ccccc2)CCOCC1 ZINC000062783458 166205235 /nfs/dbraw/zinc/20/52/35/166205235.db2.gz QHGOXGALEUJHCR-CQSZACIVSA-N 0 0 230.307 2.119 10 30 BEEERN C#CC[C@H](C)OS(=O)(=O)c1ccc(C)cc1 ZINC000001726895 166206686 /nfs/dbraw/zinc/20/66/86/166206686.db2.gz FUXZPGSGEZVNMH-NSHDSACASA-N 0 0 238.308 2.112 10 30 BEEERN C#C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000039405003 166213827 /nfs/dbraw/zinc/21/38/27/166213827.db2.gz VBSWZRQVLSTNJR-SECBINFHSA-N 0 0 200.159 2.372 10 30 BEEERN C(#Cc1cccnc1)c1n[nH]c2ccccc12 ZINC000066263425 166225870 /nfs/dbraw/zinc/22/58/70/166225870.db2.gz GZOXBNAYOLYVTR-UHFFFAOYSA-N 0 0 219.247 2.358 10 30 BEEERN C(#Cc1ccccn1)c1n[nH]c2ccccc12 ZINC000066251528 166225972 /nfs/dbraw/zinc/22/59/72/166225972.db2.gz PDHRIFYPBBUERI-UHFFFAOYSA-N 0 0 219.247 2.358 10 30 BEEERN C=CCN(C(=O)C[C@H]([NH3+])c1ccccc1)C(C)C ZINC000037817755 166309005 /nfs/dbraw/zinc/30/90/05/166309005.db2.gz YOCBNNDSIBPXIE-AWEZNQCLSA-N 0 0 246.354 2.500 10 30 BEEERN C=CCN(C(=O)c1ccc(F)cc1N)C(C)C ZINC000062822769 166312258 /nfs/dbraw/zinc/31/22/58/166312258.db2.gz RDYCCJSSHZMNCO-UHFFFAOYSA-N 0 0 236.290 2.445 10 30 BEEERN C=CCN(Cc1ccnn1CC)CC(F)(F)F ZINC000119482138 166349076 /nfs/dbraw/zinc/34/90/76/166349076.db2.gz GRYHOZRNCMHZIK-UHFFFAOYSA-N 0 0 247.264 2.453 10 30 BEEERN C=CCN1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119341478 166358331 /nfs/dbraw/zinc/35/83/31/166358331.db2.gz OANOUVHJGXTDJO-AWEZNQCLSA-N 0 0 233.311 2.255 10 30 BEEERN C=CCNC(=O)Cc1c(Cl)cccc1OC ZINC000133742341 166374677 /nfs/dbraw/zinc/37/46/77/166374677.db2.gz ZWVPQHUYHWGNIH-UHFFFAOYSA-N 0 0 239.702 2.193 10 30 BEEERN C=CCNC(=O)[C@@H](C)Nc1c(F)cccc1F ZINC000020359505 166383249 /nfs/dbraw/zinc/38/32/49/166383249.db2.gz OAJSBGONECDJIZ-MRVPVSSYSA-N 0 0 240.253 2.067 10 30 BEEERN C=CC[NH2+][C@@]1(C(=O)[O-])CCCc2ccccc21 ZINC000041732209 166406213 /nfs/dbraw/zinc/40/62/13/166406213.db2.gz DBZZKZIMWSYKCY-AWEZNQCLSA-N 0 0 231.295 2.078 10 30 BEEERN C#CCCC(=O)Nc1cccc(Cl)n1 ZINC000236051859 410568885 /nfs/dbraw/zinc/56/88/85/410568885.db2.gz PRWRFJPLJSBIBH-UHFFFAOYSA-N 0 0 208.648 2.087 10 30 BEEERN CC(C)(C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000037934594 166501791 /nfs/dbraw/zinc/50/17/91/166501791.db2.gz MBEFQWCRBRBOAY-UHFFFAOYSA-N 0 0 243.715 2.416 10 30 BEEERN CC(C)CN(c1ncc(N)cc1C#N)C1CC1 ZINC000042556772 166963664 /nfs/dbraw/zinc/96/36/64/166963664.db2.gz QRKSNFONFVKCFM-UHFFFAOYSA-N 0 0 230.315 2.160 10 30 BEEERN CC(C)CN[C@H](C#N)c1ccc2c(c1)OCO2 ZINC000020175724 167012926 /nfs/dbraw/zinc/01/29/26/167012926.db2.gz MOYCINUVDWTJQT-LLVKDONJSA-N 0 0 232.283 2.226 10 30 BEEERN CC(C)NC1(C#N)Cc2ccccc2C1 ZINC000037374843 167092667 /nfs/dbraw/zinc/09/26/67/167092667.db2.gz AJJUHFQPEKSSTK-UHFFFAOYSA-N 0 0 200.285 2.046 10 30 BEEERN CC(C)N[C@]1(C#N)CCN(Cc2ccccc2)C1 ZINC000036924614 167142348 /nfs/dbraw/zinc/14/23/48/167142348.db2.gz FFOJCNJRGCQVMB-HNNXBMFYSA-N 0 0 243.354 2.153 10 30 BEEERN CC(C)Oc1ncc(OC2CC2)cc1C#N ZINC000095727271 167314529 /nfs/dbraw/zinc/31/45/29/167314529.db2.gz PFKSSQMZPLJDNN-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)[C@@H](C)N(C)c1ccccc1/C(N)=N/O ZINC000036787403 167370159 /nfs/dbraw/zinc/37/01/59/167370159.db2.gz POTSAIHVVVQPGM-SNVBAGLBSA-N 0 0 235.331 2.262 10 30 BEEERN CC(C)[C@@H](C)NC(=O)c1ccc(C#N)cc1 ZINC000017055161 167377944 /nfs/dbraw/zinc/37/79/44/167377944.db2.gz ZEOYCQQVXFOXBB-SNVBAGLBSA-N 0 0 216.284 2.333 10 30 BEEERN CC(C)N(C(=O)c1ccoc1C#N)C(C)C ZINC000584624739 411170584 /nfs/dbraw/zinc/17/05/84/411170584.db2.gz NQOWMYXJIQSPTN-UHFFFAOYSA-N 0 0 220.272 2.410 10 30 BEEERN C#C[C@H](CCC)NC(=O)[C@@H]1CCC[C@@H]1C ZINC000233356844 411229195 /nfs/dbraw/zinc/22/91/95/411229195.db2.gz FGAAWHMNIUXYLO-QJPTWQEYSA-N 0 0 207.317 2.341 10 30 BEEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](CCC)C1 ZINC000652429031 411241689 /nfs/dbraw/zinc/24/16/89/411241689.db2.gz SMKDCFHEAISKDC-MNOVXSKESA-N 0 0 211.305 2.138 10 30 BEEERN CC1(C)CC(C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000334465328 167886786 /nfs/dbraw/zinc/88/67/86/167886786.db2.gz CJFWSTGHIZYEAJ-MWLCHTKSSA-N 0 0 220.316 2.231 10 30 BEEERN CC1(CCNc2ccc(C#N)cc2)OCCO1 ZINC000302160291 168021446 /nfs/dbraw/zinc/02/14/46/168021446.db2.gz OVAXZOHOUSEWRU-UHFFFAOYSA-N 0 0 232.283 2.123 10 30 BEEERN CC1=CC(=O)c2[nH]c3ccccc3c2C1=O ZINC000001633851 168092342 /nfs/dbraw/zinc/09/23/42/168092342.db2.gz XJTABSPWPMYLQX-UHFFFAOYSA-N 0 0 211.220 2.493 10 30 BEEERN CC1CCC(Nc2cnc(C#N)cn2)CC1 ZINC000070558138 168165668 /nfs/dbraw/zinc/16/56/68/168165668.db2.gz PTYDACOMEPRMNX-UHFFFAOYSA-N 0 0 216.288 2.339 10 30 BEEERN CCC(=O)N(CCC#N)c1ccccc1 ZINC000011638243 168212969 /nfs/dbraw/zinc/21/29/69/168212969.db2.gz QFZVBDTZPQEXQT-UHFFFAOYSA-N 0 0 202.257 2.343 10 30 BEEERN CCC(C#N)(CC)C(=O)N(C)C[C@@H]1C[C@@H]1C ZINC000104415325 168260173 /nfs/dbraw/zinc/26/01/73/168260173.db2.gz ARYARGUCERNWNF-QWRGUYRKSA-N 0 0 222.332 2.431 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@@H]1CCC[C@@H]1OC ZINC000050374306 168260550 /nfs/dbraw/zinc/26/05/50/168260550.db2.gz XPJAGEDASMJDIN-MNOVXSKESA-N 0 0 238.331 2.000 10 30 BEEERN CCN(C[C@@H](C)C#N)C(=O)Nc1cccc(N)c1 ZINC000042448348 169878933 /nfs/dbraw/zinc/87/89/33/169878933.db2.gz VBESMMPAFXYURF-JTQLQIEISA-N 0 0 246.314 2.282 10 30 BEEERN CCN[C@H](C#N)c1ccc(OC)c(F)c1 ZINC000077301429 170155966 /nfs/dbraw/zinc/15/59/66/170155966.db2.gz HAENXAUKERIHTF-SNVBAGLBSA-N 0 0 208.236 2.008 10 30 BEEERN CCOC(=O)Nc1cccc(/C(C)=N/O)c1 ZINC000019424102 170244013 /nfs/dbraw/zinc/24/40/13/170244013.db2.gz VTVNPVUVBGYODH-MDWZMJQESA-N 0 0 222.244 2.453 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1ccccc1CC ZINC000039101999 170245296 /nfs/dbraw/zinc/24/52/96/170245296.db2.gz UEHBXIDBYDPONT-LBPRGKRZSA-N 0 0 217.268 2.419 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1ccnc2ccccc21 ZINC000039234385 170245652 /nfs/dbraw/zinc/24/56/52/170245652.db2.gz XVJLZWGNVVEEQS-LBPRGKRZSA-N 0 0 240.262 2.405 10 30 BEEERN CCOC(=O)[C@@]1(CCCc2ccccc2)CO1 ZINC000040466053 170262923 /nfs/dbraw/zinc/26/29/23/170262923.db2.gz SOPMCXNSCRPNRU-CQSZACIVSA-N 0 0 234.295 2.341 10 30 BEEERN CCOC(=O)[C@](C)(C#N)Cc1ccccc1F ZINC000057525086 170283177 /nfs/dbraw/zinc/28/31/77/170283177.db2.gz UCDRMSBKXTVXMP-ZDUSSCGKSA-N 0 0 235.258 2.461 10 30 BEEERN CCOC1=C(C(C)=O)C(F)(F)C1(F)F ZINC000045805907 170320415 /nfs/dbraw/zinc/32/04/15/170320415.db2.gz CVTIWPHJPJXZHS-UHFFFAOYSA-N 0 0 212.142 2.150 10 30 BEEERN CC[C@@H](C)N(C)c1ccc(C#N)cc1N ZINC000035674687 170725921 /nfs/dbraw/zinc/72/59/21/170725921.db2.gz UNAKCLCUTQRUGD-SECBINFHSA-N 0 0 203.289 2.375 10 30 BEEERN C=CCCC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000219776213 411897144 /nfs/dbraw/zinc/89/71/44/411897144.db2.gz DIONAPUKNJTWNM-AWEZNQCLSA-N 0 0 245.322 2.210 10 30 BEEERN CC[C@@H](CC#N)N1C(=O)C[C@](C)(C(C)C)C1=O ZINC000054178920 170811180 /nfs/dbraw/zinc/81/11/80/170811180.db2.gz HFFCWYNBZFFSMU-GXFFZTMASA-N 0 0 236.315 2.100 10 30 BEEERN CC[C@@H]1CC[C@@H](C#N)[C@H](N2CCOCC2)C1 ZINC000037145627 171027170 /nfs/dbraw/zinc/02/71/70/171027170.db2.gz UCIBGSGEPMSBJP-FRRDWIJNSA-N 0 0 222.332 2.037 10 30 BEEERN CC[C@H](C)N(C)c1ccc(C#N)cc1N ZINC000035674689 171310084 /nfs/dbraw/zinc/31/00/84/171310084.db2.gz UNAKCLCUTQRUGD-VIFPVBQESA-N 0 0 203.289 2.375 10 30 BEEERN CC[C@H](C)N(CC)c1ccccc1/C(N)=N/O ZINC000037113186 171312525 /nfs/dbraw/zinc/31/25/25/171312525.db2.gz UIJSUWGVLOEOJD-JTQLQIEISA-N 0 0 235.331 2.406 10 30 BEEERN CC[C@H](C)[C@H](C)Nc1ncc(N)cc1C#N ZINC000042552696 171392238 /nfs/dbraw/zinc/39/22/38/171392238.db2.gz 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10 30 BEEERN CN(C)/N=C/c1ccc(O)c(Br)c1 ZINC000076261898 172352253 /nfs/dbraw/zinc/35/22/53/172352253.db2.gz RWPXUGRFTGITPL-IZZDOVSWSA-N 0 0 243.104 2.050 10 30 BEEERN CN(C)/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003225599 172352596 /nfs/dbraw/zinc/35/25/96/172352596.db2.gz IYBMNQMBPANWPY-IZZDOVSWSA-N 0 0 227.651 2.144 10 30 BEEERN CN(C)c1ccc([C@@](C)(C#N)NC2CC2)cc1 ZINC000037902550 172560238 /nfs/dbraw/zinc/56/02/38/172560238.db2.gz RMFCPHJVSAHKCJ-CQSZACIVSA-N 0 0 229.327 2.243 10 30 BEEERN CN(Cc1ccsc1)c1ncc(N)cc1C#N ZINC000037759100 172910293 /nfs/dbraw/zinc/91/02/93/172910293.db2.gz VNVMYXNCFJKSAU-UHFFFAOYSA-N 0 0 244.323 2.233 10 30 BEEERN CNC1=CC(=O)C[C@H](c2ccccc2)C1 ZINC000011564166 173322196 /nfs/dbraw/zinc/32/21/96/173322196.db2.gz DSLZVRPZJZIDJX-LLVKDONJSA-N 0 0 201.269 2.236 10 30 BEEERN COC(=O)CCCCCNc1ncccc1C#N ZINC000051449002 173531552 /nfs/dbraw/zinc/53/15/52/173531552.db2.gz HYKQSJXFLJXUTP-UHFFFAOYSA-N 0 0 247.298 2.099 10 30 BEEERN COCCC(=O)[C@@H](C#N)c1cc(C)ccc1OC 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235.283 2.260 10 30 BEEERN COc1ccc(C[C@@H](C)C#N)cc1OC ZINC000080182990 175115295 /nfs/dbraw/zinc/11/52/95/175115295.db2.gz QYPVUSRSPJQLAY-SECBINFHSA-N 0 0 205.257 2.406 10 30 BEEERN COc1ccc(F)c(Br)c1C#N ZINC000075927329 175124106 /nfs/dbraw/zinc/12/41/06/175124106.db2.gz FVSKNZAKYCHABC-UHFFFAOYSA-N 0 0 230.036 2.468 10 30 BEEERN COc1ccc(N[C@@H](C#N)C2CC2)cc1 ZINC000041047349 175153216 /nfs/dbraw/zinc/15/32/16/175153216.db2.gz CVBYFBUOPMHGEV-LBPRGKRZSA-N 0 0 202.257 2.409 10 30 BEEERN COc1ccc(N[C@H](C)C#N)cc1OC ZINC000043514218 175154918 /nfs/dbraw/zinc/15/49/18/175154918.db2.gz JFKLGKCZCBBYKE-MRVPVSSYSA-N 0 0 206.245 2.028 10 30 BEEERN COc1ccc(OC)c(N[C@@H](C)CC#N)c1 ZINC000032013626 175167105 /nfs/dbraw/zinc/16/71/05/175167105.db2.gz QQOVOYNQUKQPOF-VIFPVBQESA-N 0 0 220.272 2.418 10 30 BEEERN COc1ccc2c(CC#N)cn(C)c2c1 ZINC000082589088 175205071 /nfs/dbraw/zinc/20/50/71/175205071.db2.gz LNUOZWIFGAJCAE-UHFFFAOYSA-N 0 0 200.241 2.253 10 30 BEEERN COc1cccc(N[C@@H](C#N)c2cnn(C)c2)c1 ZINC000037937838 175279496 /nfs/dbraw/zinc/27/94/96/175279496.db2.gz WBPNZUAJFFWCCU-ZDUSSCGKSA-N 0 0 242.282 2.105 10 30 BEEERN COc1cccc(N[C@@H](C#N)[C@@H]2CCOC2)c1 ZINC000037937733 175279522 /nfs/dbraw/zinc/27/95/22/175279522.db2.gz ZDQLHAISFUOKGV-MFKMUULPSA-N 0 0 232.283 2.036 10 30 BEEERN COc1cccc([C@@H](C#N)NC2CC2)c1 ZINC000020173265 175285857 /nfs/dbraw/zinc/28/58/57/175285857.db2.gz VLRZRYZKFONYMT-GFCCVEGCSA-N 0 0 202.257 2.012 10 30 BEEERN COc1ccccc1N[C@H](C#N)[C@H]1CCOC1 ZINC000037938679 175338584 /nfs/dbraw/zinc/33/85/84/175338584.db2.gz BNCPQJJKFWWMSJ-CMPLNLGQSA-N 0 0 232.283 2.036 10 30 BEEERN COc1ccccc1Nc1c(C#N)c(C)nn1C ZINC000104312411 175339762 /nfs/dbraw/zinc/33/97/62/175339762.db2.gz BKGOGZAYABLKSQ-UHFFFAOYSA-N 0 0 242.282 2.352 10 30 BEEERN C[C@H](c1nc(CC#N)no1)c1ccccc1 ZINC000073641449 176023485 /nfs/dbraw/zinc/02/34/85/176023485.db2.gz ALUVIJUKIJHMAU-VIFPVBQESA-N 0 0 213.240 2.287 10 30 BEEERN C[C@@H]1CCCCN1c1ncc(C#N)s1 ZINC000082418614 176074790 /nfs/dbraw/zinc/07/47/90/176074790.db2.gz MMCVHNKPDHTCOU-MRVPVSSYSA-N 0 0 207.302 2.394 10 30 BEEERN C[C@@H]1CCCC[C@@H]1Oc1ccnc(/C(N)=N/O)c1 ZINC000061813929 176082859 /nfs/dbraw/zinc/08/28/59/176082859.db2.gz ZXEYDRCSOZXZQO-SKDRFNHKSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C#N)nc1 ZINC000115017332 176115830 /nfs/dbraw/zinc/11/58/30/176115830.db2.gz XNZZDGZRBMWVHU-GHMZBOCLSA-N 0 0 243.310 2.356 10 30 BEEERN C[C@@H]1CCC[C@H](Oc2ncc(N)cc2C#N)C1 ZINC000037759357 176145918 /nfs/dbraw/zinc/14/59/18/176145918.db2.gz QZIHORRPHOWKIQ-SKDRFNHKSA-N 0 0 231.299 2.493 10 30 BEEERN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C#N)nc2)C1 ZINC000115315160 176360484 /nfs/dbraw/zinc/36/04/84/176360484.db2.gz VPLHUAWLCWKWBB-GHMZBOCLSA-N 0 0 243.310 2.071 10 30 BEEERN C[C@H](C#N)CN(C)c1ccc2cc(N)ccc2n1 ZINC000042455200 176552937 /nfs/dbraw/zinc/55/29/37/176552937.db2.gz USDHFYKGGKBUTJ-SNVBAGLBSA-N 0 0 240.310 2.413 10 30 BEEERN C[C@H](C#N)CNc1ccc2c(c1)OCCO2 ZINC000032013266 176553710 /nfs/dbraw/zinc/55/37/10/176553710.db2.gz OWHQBCIZWNNACK-SECBINFHSA-N 0 0 218.256 2.029 10 30 BEEERN C[C@H](C#N)n1ccnc1-c1ccc(N)cc1 ZINC000043515671 176556227 /nfs/dbraw/zinc/55/62/27/176556227.db2.gz ACEYIYISLYGRGH-SECBINFHSA-N 0 0 212.256 2.217 10 30 BEEERN C[C@H](CC#N)C(=O)N[C@H](C)c1ccccc1 ZINC000049816053 176596062 /nfs/dbraw/zinc/59/60/62/176596062.db2.gz VIAMLLKFQHNSEO-GHMZBOCLSA-N 0 0 216.284 2.414 10 30 BEEERN C[C@H](CC#N)N(C)c1ccc(C#N)cc1F ZINC000063093593 176596460 /nfs/dbraw/zinc/59/64/60/176596460.db2.gz BAWBHGKASGVBSH-SECBINFHSA-N 0 0 217.247 2.436 10 30 BEEERN C[C@H](Cc1ccccc1)Nc1nccnc1C#N ZINC000062187946 176724239 /nfs/dbraw/zinc/72/42/39/176724239.db2.gz LKHXJYISGFIEAX-LLVKDONJSA-N 0 0 238.294 2.391 10 30 BEEERN C[C@H]1CCCN1c1ccc(N)cc1C#N ZINC000041021200 177111397 /nfs/dbraw/zinc/11/13/97/177111397.db2.gz NCIOLZBITAHEMF-VIFPVBQESA-N 0 0 201.273 2.129 10 30 BEEERN C[C@H]1CC[C@H](C)c2[nH]c(=O)c(C#N)cc21 ZINC000049812451 177199868 /nfs/dbraw/zinc/19/98/68/177199868.db2.gz YMLGKRXKDKNGFJ-YUMQZZPRSA-N 0 0 202.257 2.247 10 30 BEEERN C[C@H]1CN(Cc2ccccc2C#N)CCS1 ZINC000135471749 177266223 /nfs/dbraw/zinc/26/62/23/177266223.db2.gz XJJFYQZOVFDGHN-NSHDSACASA-N 0 0 232.352 2.496 10 30 BEEERN C[C@H]1COC[C@H](C)N1Cc1ccc(F)cc1C#N ZINC000120856346 177300180 /nfs/dbraw/zinc/30/01/80/177300180.db2.gz YMIPZGZBSXPRFV-QWRGUYRKSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@H]1C[C@@H]1Nc1nc2ccccn2c1C#N ZINC000272917854 177350673 /nfs/dbraw/zinc/35/06/73/177350673.db2.gz PSKWXOWABYKLAK-IUCAKERBSA-N 0 0 212.256 2.026 10 30 BEEERN C[C@H]1C[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235580898 177350776 /nfs/dbraw/zinc/35/07/76/177350776.db2.gz ASSLJCLUUKQUGS-WHFBIAKZSA-N 0 0 213.693 2.488 10 30 BEEERN C[C@H]1C[C@@H]1Nc1snc(Cl)c1C#N ZINC000263924239 177351010 /nfs/dbraw/zinc/35/10/10/177351010.db2.gz XCVVHTJDXGYASY-NJGYIYPDSA-N 0 0 213.693 2.488 10 30 BEEERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000177907602 177384338 /nfs/dbraw/zinc/38/43/38/177384338.db2.gz UQNCGIIROHNTGP-WRWORJQWSA-N 0 0 233.246 2.227 10 30 BEEERN C[C@H]1C[C@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130667126 177386087 /nfs/dbraw/zinc/38/60/87/177386087.db2.gz XWPWLUWRYFDRRZ-IONNQARKSA-N 0 0 217.228 2.287 10 30 BEEERN C[C@H]1Cc2ccccc2N1CCCC/C(N)=N/O ZINC000049580120 177390872 /nfs/dbraw/zinc/39/08/72/177390872.db2.gz QIUGLFVHGKAGOL-NSHDSACASA-N 0 0 247.342 2.354 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130682963 177402702 /nfs/dbraw/zinc/40/27/02/177402702.db2.gz WZWPREAGUXTQAC-SCZZXKLOSA-N 0 0 247.254 2.056 10 30 BEEERN Cc1[nH]c2ncc(Cl)cc2c1/C=N/O ZINC000095937228 177518320 /nfs/dbraw/zinc/51/83/20/177518320.db2.gz YUPRRBYEMBZXRG-UUILKARUSA-N 0 0 209.636 2.333 10 30 BEEERN C[C@H](CC[C@@H]1OC1(C)C)[C@H]1C=CC(=O)[C@H](O)C1 ZINC000504014468 226338037 /nfs/dbraw/zinc/33/80/37/226338037.db2.gz DLJDPQQYQRPMKG-DNIRFERGSA-N 0 0 238.327 2.086 10 30 BEEERN CCC[C@@H]1C[C@H]1Nc1cc(C)ncc1C#N ZINC000399462541 266071360 /nfs/dbraw/zinc/07/13/60/266071360.db2.gz QNEVCMWRFQXLAA-ZWNOBZJWSA-N 0 0 215.300 2.284 10 30 BEEERN C[C@H]1CC[C@@H](O)CN1Cc1ccc(F)cc1C#N ZINC000399291445 267222127 /nfs/dbraw/zinc/22/21/27/267222127.db2.gz MNIHGPIGTLUADZ-IINYFYTJSA-N 0 0 248.301 2.043 10 30 BEEERN C=C(Br)CNC(=O)[C@@H]1CCC[C@H]1C ZINC000230150222 641031336 /nfs/dbraw/zinc/03/13/36/641031336.db2.gz MXBYUQMJZRMECQ-VXNVDRBHSA-N 0 0 246.148 2.447 10 30 BEEERN CC[C@](C)(C#N)NC(=O)[C@H]1CCC[C@H]1C ZINC000300239749 322993159 /nfs/dbraw/zinc/99/31/59/322993159.db2.gz DOXICWSXJISOSC-JFGNBEQYSA-N 0 0 208.305 2.231 10 30 BEEERN CC[C@](C)(C#N)C(=O)NC[C@@H](C)C(C)C ZINC000136261047 323031475 /nfs/dbraw/zinc/03/14/75/323031475.db2.gz OQYABFAPYFCDGM-ZYHUDNBSSA-N 0 0 210.321 2.335 10 30 BEEERN CCC[C@@H](C#N)NC(=O)c1ccc(C)nc1C ZINC000055330889 323896303 /nfs/dbraw/zinc/89/63/03/323896303.db2.gz URFYTDSHQMWYCK-NSHDSACASA-N 0 0 231.299 2.121 10 30 BEEERN Cc1cnc(-c2ccc(C#N)cc2)c(=O)[nH]1 ZINC000536961274 323975044 /nfs/dbraw/zinc/97/50/44/323975044.db2.gz WTZSZMZETJZCND-UHFFFAOYSA-N 0 0 211.224 2.029 10 30 BEEERN CN(CC#N)Cc1csc(C(C)(C)C)n1 ZINC000120725659 323991638 /nfs/dbraw/zinc/99/16/38/323991638.db2.gz PXFFJGLFQNCEHO-UHFFFAOYSA-N 0 0 223.345 2.396 10 30 BEEERN C=CCN(C)CC(=O)N(CC)Cc1ccccc1 ZINC000121377708 324010198 /nfs/dbraw/zinc/01/01/98/324010198.db2.gz DQYDFCGOQTWJHX-UHFFFAOYSA-N 0 0 246.354 2.153 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2C#N)O1 ZINC000130692172 325080968 /nfs/dbraw/zinc/08/09/68/325080968.db2.gz HPORREOYHFBZGS-SKDRFNHKSA-N 0 0 230.267 2.064 10 30 BEEERN C=CCCC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000134514828 325362624 /nfs/dbraw/zinc/36/26/24/325362624.db2.gz MTCFLXNSPYKGBN-STQMWFEESA-N 0 0 239.359 2.400 10 30 BEEERN C=CCCC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000134514886 325362840 /nfs/dbraw/zinc/36/28/40/325362840.db2.gz MTCFLXNSPYKGBN-CHWSQXEVSA-N 0 0 239.359 2.400 10 30 BEEERN CC(C)[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000134964441 325384867 /nfs/dbraw/zinc/38/48/67/325384867.db2.gz FVSGVABJRJPPQN-GFCCVEGCSA-N 0 0 243.310 2.071 10 30 BEEERN C=CC[C@@H](C)NC(=O)CCCSC ZINC000135334942 325408584 /nfs/dbraw/zinc/40/85/84/325408584.db2.gz JQLLWALIHHOQSP-SECBINFHSA-N 0 0 201.335 2.210 10 30 BEEERN N#Cc1nccn1Cc1nc2ccccc2s1 ZINC000135532523 325416950 /nfs/dbraw/zinc/41/69/50/325416950.db2.gz XBVFERNZXMUDAP-UHFFFAOYSA-N 0 0 240.291 2.413 10 30 BEEERN CC1=C(CO)[C@@H](C(C)C)C(C#N)(C#N)C1 ZINC000584658585 488020699 /nfs/dbraw/zinc/02/06/99/488020699.db2.gz IKWCMDIOMHKTJM-LLVKDONJSA-N 0 0 204.273 2.005 10 30 BEEERN CO[C@@H]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000301758069 488024812 /nfs/dbraw/zinc/02/48/12/488024812.db2.gz FDVCGNZINIWIBB-VXGBXAGGSA-N 0 0 231.299 2.323 10 30 BEEERN COc1ccc(COCC[C@H]2CO2)cc1 ZINC000034579228 488055348 /nfs/dbraw/zinc/05/53/48/488055348.db2.gz ZOTQIPMMMCLNGW-LBPRGKRZSA-N 0 0 208.257 2.001 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)C1CCCCC1 ZINC000061889275 488065904 /nfs/dbraw/zinc/06/59/04/488065904.db2.gz CSJHFLWPPVBCRT-VXGBXAGGSA-N 0 0 220.316 2.375 10 30 BEEERN CO[C@H]1CCCN(c2cc(C)nc(C)c2C#N)C1 ZINC000227593567 487481200 /nfs/dbraw/zinc/48/12/00/487481200.db2.gz WECWYBXHTZIXPV-LBPRGKRZSA-N 0 0 245.326 2.185 10 30 BEEERN Nc1ccccc1C(=O)SCCS ZINC000584645365 490182747 /nfs/dbraw/zinc/18/27/47/490182747.db2.gz KZKLNZNNOFVTAO-UHFFFAOYSA-N 0 0 213.327 2.072 10 30 BEEERN COc1ccc(COC(C)(C)C(=O)CC#N)cc1 ZINC000584646105 491071123 /nfs/dbraw/zinc/07/11/23/491071123.db2.gz MVDHYTJWTMITEE-UHFFFAOYSA-N 0 0 247.294 2.473 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1cn2ccccc2n1 ZINC000088627219 491075853 /nfs/dbraw/zinc/07/58/53/491075853.db2.gz XZQDLEJFTYMWQW-YPMHNXCESA-N 0 0 240.310 2.116 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1cn2ccccc2n1 ZINC000088627221 491075902 /nfs/dbraw/zinc/07/59/02/491075902.db2.gz XZQDLEJFTYMWQW-AAEUAGOBSA-N 0 0 240.310 2.116 10 30 BEEERN C#C[C@H](C)Nc1ccc2c(c1)CCN2C ZINC000757133955 582510138 /nfs/dbraw/zinc/51/01/38/582510138.db2.gz VRXBNCWORADAQQ-JTQLQIEISA-N 0 0 200.285 2.113 10 30 BEEERN C=C[C@@H](C)NC(=S)N[C@H](C)C(C)C ZINC000757134198 582510345 /nfs/dbraw/zinc/51/03/45/582510345.db2.gz LMJQFLLVQJTPIH-RKDXNWHRSA-N 0 0 200.351 2.070 10 30 BEEERN CCCn1cc(CN(CCC#N)CC2CC2)cn1 ZINC000119095857 535609016 /nfs/dbraw/zinc/60/90/16/535609016.db2.gz NVPJCIIGWHFZAF-UHFFFAOYSA-N 0 0 246.358 2.419 10 30 BEEERN N#Cc1cc(-c2cccs2)nn1CCF ZINC000409443946 582670954 /nfs/dbraw/zinc/67/09/54/582670954.db2.gz XDJDLCMZCWVZAP-UHFFFAOYSA-N 0 0 221.260 2.453 10 30 BEEERN C[C@@H]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000247069893 518179194 /nfs/dbraw/zinc/17/91/94/518179194.db2.gz UWAOVAFCVAVYGR-JFGNBEQYSA-N 0 0 245.326 2.441 10 30 BEEERN C=CCCCN(C)S(=O)(=O)C[C@@H](C)CC ZINC000122456135 534712081 /nfs/dbraw/zinc/71/20/81/534712081.db2.gz IFFGYVUMPJWXJY-NSHDSACASA-N 0 0 233.377 2.260 10 30 BEEERN C=CCCCN(C)S(=O)(=O)C[C@H](C)CC ZINC000122455891 534712106 /nfs/dbraw/zinc/71/21/06/534712106.db2.gz IFFGYVUMPJWXJY-LLVKDONJSA-N 0 0 233.377 2.260 10 30 BEEERN CC#CCNC(=O)N[C@@H]1CCc2c1cccc2F ZINC000135201078 534713686 /nfs/dbraw/zinc/71/36/86/534713686.db2.gz ROVDDLZGLJSMRP-CYBMUJFWSA-N 0 0 246.285 2.136 10 30 BEEERN C=CCN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000010536688 534846322 /nfs/dbraw/zinc/84/63/22/534846322.db2.gz NWTKFFSLKHZRTD-CQSZACIVSA-N 0 0 244.294 2.030 10 30 BEEERN C[C@]1(O)CC(=O)C=C(c2cccs2)C1 ZINC000040538563 525302144 /nfs/dbraw/zinc/30/21/44/525302144.db2.gz NWOGXXQDVBCQRF-LLVKDONJSA-N 0 0 208.282 2.245 10 30 BEEERN C[C@@]1(O)CC(=O)C=C(c2cccs2)C1 ZINC000040538561 525878354 /nfs/dbraw/zinc/87/83/54/525878354.db2.gz NWOGXXQDVBCQRF-NSHDSACASA-N 0 0 208.282 2.245 10 30 BEEERN C=CCCC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123333336 527071038 /nfs/dbraw/zinc/07/10/38/527071038.db2.gz JASAYQVVMZQHAV-ZDUSSCGKSA-N 0 0 246.310 2.028 10 30 BEEERN C#C[C@H](CCC)NC(=O)[C@@H]1CCC[C@H]1C ZINC000300398018 527372072 /nfs/dbraw/zinc/37/20/72/527372072.db2.gz FGAAWHMNIUXYLO-IJLUTSLNSA-N 0 0 207.317 2.341 10 30 BEEERN CC(C)(C#N)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000336005881 534999969 /nfs/dbraw/zinc/99/99/69/534999969.db2.gz KRHFVBPVJOPWTP-NEPJUHHUSA-N 0 0 234.343 2.322 10 30 BEEERN CCOc1ccccc1[C@@H](C)NCC#N ZINC000271787860 535540544 /nfs/dbraw/zinc/54/05/44/535540544.db2.gz QEFJXNZDBUGDMZ-SNVBAGLBSA-N 0 0 204.273 2.259 10 30 BEEERN CCC[C@H]1C[C@H]1NC(=O)c1cccc(C#N)c1 ZINC000075371839 535752140 /nfs/dbraw/zinc/75/21/40/535752140.db2.gz JRBPQVQERFXZKB-WCQYABFASA-N 0 0 228.295 2.477 10 30 BEEERN C[C@H]1c2ccccc2C(=O)/C1=C/N(C)C ZINC000308986394 538109933 /nfs/dbraw/zinc/10/99/33/538109933.db2.gz GVCJGTLQUXTLTA-KWINOFQJSA-N 0 0 201.269 2.432 10 30 BEEERN COC(=O)CC1([C@@H]2CO2)C[C@H](C)C[C@@H](C)C1 ZINC000675053742 566415677 /nfs/dbraw/zinc/41/56/77/566415677.db2.gz QMYHXJSHBZJCJA-MXWKQRLJSA-N 0 0 226.316 2.391 10 30 BEEERN CC(C)(c1ccc(O)cc1)C1=CC(=O)C(=O)C=C1 ZINC000004654864 560199324 /nfs/dbraw/zinc/19/93/24/560199324.db2.gz NZZDOSANPOZUPK-UHFFFAOYSA-N 0 0 242.274 2.304 10 30 in-vitro BEEERN C=C(C)[C@@H]1CCC2=C(C1)[C@H](C)[C@@H](O)[C@H](O)C2 ZINC000004098296 574412218 /nfs/dbraw/zinc/41/22/18/574412218.db2.gz XSCYYIVXGBKTOC-GZZJDILISA-N 0 0 222.328 2.421 10 30 endogenous,in-man BEEERN CCCCCCCC(=O)NCC1(C)COC1 ZINC000112618038 588806304 /nfs/dbraw/zinc/80/63/04/588806304.db2.gz CTQKNMNOVMAPFW-UHFFFAOYSA-N 0 0 227.348 2.500 10 30 BEEERN COC(=O)[C@]1(C(C)C)OC12CC(C(C)C)C2 ZINC000234587120 582460535 /nfs/dbraw/zinc/46/05/35/582460535.db2.gz QZSATPNPSORNIN-GDKBPFBDSA-N 0 0 226.316 2.389 10 30 BEEERN C#C[C@@]1(O)CCc2ccc(Br)cc21 ZINC000757123953 582498764 /nfs/dbraw/zinc/49/87/64/582498764.db2.gz WLQQQJOWARNLSQ-LLVKDONJSA-N 0 0 237.096 2.216 10 30 BEEERN C=C[C@H](C)NC(=S)Nc1ccc(O)cc1 ZINC000757135015 582514158 /nfs/dbraw/zinc/51/41/58/582514158.db2.gz QYFAPHSOTDFITD-QMMMGPOBSA-N 0 0 222.313 2.253 10 30 BEEERN C#CC[NH2+]C[C@H](C)SCc1occc1C ZINC000757167450 582548641 /nfs/dbraw/zinc/54/86/41/582548641.db2.gz WONZKWVVXDNPON-NSHDSACASA-N 0 0 223.341 2.433 10 30 BEEERN C[C@@](N)(C#N)CSCc1ccc(Cl)o1 ZINC000757169717 582550012 /nfs/dbraw/zinc/55/00/12/582550012.db2.gz LZMSHFVSQUUQAY-SECBINFHSA-N 0 0 230.720 2.407 10 30 BEEERN C[C@@H]1C[C@@H]1c1c(Br)[nH]c(N)c1C#N ZINC000757171682 582551328 /nfs/dbraw/zinc/55/13/28/582551328.db2.gz VDRNAJQQXXCLPJ-UHNVWZDZSA-N 0 0 240.104 2.354 10 30 BEEERN N#C[C@@H]1O[C@@]12CCC[C@H](C(F)(F)F)C2 ZINC000306673800 582654098 /nfs/dbraw/zinc/65/40/98/582654098.db2.gz ONQPGNJFADNWIU-BIIVOSGPSA-N 0 0 205.179 2.400 10 30 BEEERN C#CC[C@@H](OC(=O)CC1CC1)c1ccccn1 ZINC000113662044 588848081 /nfs/dbraw/zinc/84/80/81/588848081.db2.gz MGONENSGCCLSLH-CYBMUJFWSA-N 0 0 229.279 2.489 10 30 BEEERN C[C@H](CC#N)OC(=O)[C@H]1CC1(Cl)Cl ZINC000113696058 588850899 /nfs/dbraw/zinc/85/08/99/588850899.db2.gz JFCCLGJAIMGJGP-PHDIDXHHSA-N 0 0 222.071 2.026 10 30 BEEERN CCOC(=O)C#Cc1ccc(Cl)cc1F ZINC000135337571 583586589 /nfs/dbraw/zinc/58/65/89/583586589.db2.gz AAZJIDCLVQCXJU-UHFFFAOYSA-N 0 0 226.634 2.394 10 30 BEEERN CC(=O)C1CCN(c2nc(C)ccc2C#N)CC1 ZINC000104427698 583978214 /nfs/dbraw/zinc/97/82/14/583978214.db2.gz GLOJCDZLPXUYLR-UHFFFAOYSA-N 0 0 243.310 2.067 10 30 BEEERN CS[C@@H](C)C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000103329176 585098081 /nfs/dbraw/zinc/09/80/81/585098081.db2.gz OFGZIMRWFKSKLE-YUMQZZPRSA-N 0 0 240.353 2.379 10 30 BEEERN C[C@H](CS)CNC(=O)OC(C)(C)C ZINC000757162138 586431539 /nfs/dbraw/zinc/43/15/39/586431539.db2.gz BSGWGKLMYVMUNC-ZETCQYMHSA-N 0 0 205.323 2.077 10 30 BEEERN COc1cccc(-n2cc(C#N)c(C)n2)c1 ZINC000757189350 586435070 /nfs/dbraw/zinc/43/50/70/586435070.db2.gz GIQJEZYKSRALSJ-UHFFFAOYSA-N 0 0 213.240 2.061 10 30 BEEERN C#CCOC(=O)[C@]1(C)CCCc2ccccc21 ZINC000102123368 587806510 /nfs/dbraw/zinc/80/65/10/587806510.db2.gz JLACJMLQQOQGMD-OAHLLOKOSA-N 0 0 228.291 2.457 10 30 BEEERN Cc1ccoc1C(=O)O[C@H](C#N)C(C)C ZINC000121533977 588095123 /nfs/dbraw/zinc/09/51/23/588095123.db2.gz SJCWKMHFHOCXMB-SECBINFHSA-N 0 0 207.229 2.293 10 30 BEEERN C#CC[C@H](OC(=O)C(C)C)c1ccccn1 ZINC000105549444 588199645 /nfs/dbraw/zinc/19/96/45/588199645.db2.gz UBOSXNYNQWKPTP-LBPRGKRZSA-N 0 0 217.268 2.345 10 30 BEEERN C#CC[C@@H](OC(=O)[C@@H](C)SC)c1ccccn1 ZINC000105549602 588199857 /nfs/dbraw/zinc/19/98/57/588199857.db2.gz KKWMJAHUSXTQGH-ZYHUDNBSSA-N 0 0 249.335 2.441 10 30 BEEERN C#CC[C@H](OC(=O)CCSC)c1ccccn1 ZINC000105549485 588199956 /nfs/dbraw/zinc/19/99/56/588199956.db2.gz CCSJFMXCUVNIMH-LBPRGKRZSA-N 0 0 249.335 2.442 10 30 BEEERN C#CCOc1ccccc1[C@@H](C)OC(C)=O ZINC000107059569 588326722 /nfs/dbraw/zinc/32/67/22/588326722.db2.gz WFGIKIYAMQEQOT-SNVBAGLBSA-N 0 0 218.252 2.323 10 30 BEEERN C#CCOc1ccccc1OC(=O)C[C@H](C)OC ZINC000107191729 588337688 /nfs/dbraw/zinc/33/76/88/588337688.db2.gz MVCKFHBCUYZTTL-NSHDSACASA-N 0 0 248.278 2.029 10 30 BEEERN CC(C)OC(=O)NCc1ccc(C#N)cc1F ZINC000109542024 588567325 /nfs/dbraw/zinc/56/73/25/588567325.db2.gz ZQWAHRNLHHYRKD-UHFFFAOYSA-N 0 0 236.246 2.332 10 30 BEEERN C#CCOCCC(=O)OCC1(C)CCCC1 ZINC000119128342 589244708 /nfs/dbraw/zinc/24/47/08/589244708.db2.gz VEYYZIXYWFNDAI-UHFFFAOYSA-N 0 0 224.300 2.150 10 30 BEEERN C#CCOCCC(=O)O[C@@H](CCC=C)C1CC1 ZINC000119133104 589244976 /nfs/dbraw/zinc/24/49/76/589244976.db2.gz AKPLAZPKWJPTJY-ZDUSSCGKSA-N 0 0 236.311 2.314 10 30 BEEERN C#CCOCCC(=O)O[C@H](CCC=C)C1CC1 ZINC000119133250 589245195 /nfs/dbraw/zinc/24/51/95/589245195.db2.gz AKPLAZPKWJPTJY-CYBMUJFWSA-N 0 0 236.311 2.314 10 30 BEEERN C#C[C@@H](C)OC(=O)C[C@H](C)c1ccncc1 ZINC000119635477 589315794 /nfs/dbraw/zinc/31/57/94/589315794.db2.gz GUTPRPNOYKCVGV-WDEREUQCSA-N 0 0 217.268 2.140 10 30 BEEERN C#CCCCCC(=O)OCc1ccc(OC)nc1 ZINC000120359730 589405330 /nfs/dbraw/zinc/40/53/30/589405330.db2.gz XPKAVSRDDARVIG-UHFFFAOYSA-N 0 0 247.294 2.327 10 30 BEEERN C#CCCOC(=O)c1cccc2ncccc21 ZINC000120726533 589461415 /nfs/dbraw/zinc/46/14/15/589461415.db2.gz ADISWLCJLSXJJD-UHFFFAOYSA-N 0 0 225.247 2.415 10 30 BEEERN C#C[C@H](C)OC(=O)c1cccc2ncccc21 ZINC000120763597 589464983 /nfs/dbraw/zinc/46/49/83/589464983.db2.gz LLPNHPFOPUNSPY-JTQLQIEISA-N 0 0 225.247 2.413 10 30 BEEERN C#C[C@H](C)OC(=O)c1cccc(C)c1F ZINC000121073233 589492561 /nfs/dbraw/zinc/49/25/61/589492561.db2.gz ZZZYCQRVGXQGOH-VIFPVBQESA-N 0 0 206.216 2.313 10 30 BEEERN C#CC[C@@H](OC(=O)C[C@H]1CCCCO1)C1CC1 ZINC000122094437 589554201 /nfs/dbraw/zinc/55/42/01/589554201.db2.gz SDTGGWGFAYOJQY-CHWSQXEVSA-N 0 0 236.311 2.291 10 30 BEEERN COCCC1(C(=O)[C@H](C#N)c2ccccn2)CC1 ZINC000122397489 589585417 /nfs/dbraw/zinc/58/54/17/589585417.db2.gz RLUNENYWALYZSC-LLVKDONJSA-N 0 0 244.294 2.075 10 30 BEEERN C=CCN(c1ccc([C@H](C)O)cn1)C1CC1 ZINC000124952493 590103479 /nfs/dbraw/zinc/10/34/79/590103479.db2.gz CZHVKKRYIYLFNT-JTQLQIEISA-N 0 0 218.300 2.290 10 30 BEEERN C#C[C@H](C)OC(=O)c1cc(C)nc(Cl)c1 ZINC000124953057 590103578 /nfs/dbraw/zinc/10/35/78/590103578.db2.gz RINYHMJLKHRHEM-QMMMGPOBSA-N 0 0 223.659 2.222 10 30 BEEERN C#C[C@H](C)OC(=O)COC/C=C/c1ccccc1 ZINC000125315795 590161349 /nfs/dbraw/zinc/16/13/49/590161349.db2.gz QYTNNVHXIUJRBC-RSPDNQDQSA-N 0 0 244.290 2.281 10 30 BEEERN C#C[C@H](C)OC(=O)c1ccc(F)c(OC)c1 ZINC000125313142 590161362 /nfs/dbraw/zinc/16/13/62/590161362.db2.gz FXUAESGMAHOZFN-QMMMGPOBSA-N 0 0 222.215 2.013 10 30 BEEERN C#C[C@@H](C)OC(=O)COC/C=C/c1ccccc1 ZINC000125316010 590161586 /nfs/dbraw/zinc/16/15/86/590161586.db2.gz QYTNNVHXIUJRBC-UTSBKAFOSA-N 0 0 244.290 2.281 10 30 BEEERN C#CCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000125450391 590165050 /nfs/dbraw/zinc/16/50/50/590165050.db2.gz MDQCEPRQOUHKRM-ZDUSSCGKSA-N 0 0 246.285 2.136 10 30 BEEERN COc1cc(C(=O)O[C@H](C#N)C2CC2)ccc1F ZINC000125517482 590167122 /nfs/dbraw/zinc/16/71/22/590167122.db2.gz CFCHLNVMPDKSTG-GFCCVEGCSA-N 0 0 249.241 2.293 10 30 BEEERN C#C[C@@H](C)OC(=O)c1cc(F)c(C)cc1F ZINC000125929916 590198870 /nfs/dbraw/zinc/19/88/70/590198870.db2.gz GIEYIYSFYXVFCL-MRVPVSSYSA-N 0 0 224.206 2.452 10 30 BEEERN COCCCCC(=O)[C@H](C#N)c1ccccn1 ZINC000126241603 590259910 /nfs/dbraw/zinc/25/99/10/590259910.db2.gz KWLRKESMIUGEFV-LLVKDONJSA-N 0 0 232.283 2.075 10 30 BEEERN C=C[C@H](CC)OC(=O)[C@H]1CCCCN1CC ZINC000127471852 590678484 /nfs/dbraw/zinc/67/84/84/590678484.db2.gz FHNMUDDKQIYDKV-VXGBXAGGSA-N 0 0 225.332 2.369 10 30 BEEERN C#CCCCCCOC(=O)CCc1ccnn1C ZINC000127555438 590704809 /nfs/dbraw/zinc/70/48/09/590704809.db2.gz RVRFGWFQHPSXKE-UHFFFAOYSA-N 0 0 248.326 2.090 10 30 BEEERN CC[C@](C)(C#N)NC(=O)CSC(C)(C)C ZINC000127599450 590717275 /nfs/dbraw/zinc/71/72/75/590717275.db2.gz SNIWGBBVVWAZEE-LLVKDONJSA-N 0 0 228.361 2.327 10 30 BEEERN C[C@H]1C[C@H](S)CN1C(=O)OC(C)(C)C ZINC000209900189 590722393 /nfs/dbraw/zinc/72/23/93/590722393.db2.gz HBKAPPHVTBDWEM-YUMQZZPRSA-N 0 0 217.334 2.314 10 30 BEEERN COc1cccc(C/N=C/c2ccccc2O)n1 ZINC000127730514 590765929 /nfs/dbraw/zinc/76/59/29/590765929.db2.gz ZCJRPARBKZWFTP-OQLLNIDSSA-N 0 0 242.278 2.415 10 30 BEEERN C#C[C@@H](C)OC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC000129151703 591260806 /nfs/dbraw/zinc/26/08/06/591260806.db2.gz CRRMKNINVFTYKH-VXGBXAGGSA-N 0 0 246.306 2.439 10 30 BEEERN C#C[C@H](C)OC(=O)c1ccccc1CC ZINC000129840729 591412890 /nfs/dbraw/zinc/41/28/90/591412890.db2.gz GPSKYQOUWXRDNC-JTQLQIEISA-N 0 0 202.253 2.428 10 30 BEEERN C#C[C@@H](C)OC(=O)c1cnn(CCCC)c1C ZINC000132084196 591686964 /nfs/dbraw/zinc/68/69/64/591686964.db2.gz GUVLUJNNDFZJGE-SNVBAGLBSA-N 0 0 234.299 2.170 10 30 BEEERN C#CC[C@@H](OC(=O)c1cncc(C)c1)C1CC1 ZINC000132519354 591714940 /nfs/dbraw/zinc/71/49/40/591714940.db2.gz LGQJKKWKIFVPHN-CYBMUJFWSA-N 0 0 229.279 2.349 10 30 BEEERN C#C[C@@H](OC(=O)/C=C(\C)C1CC1)C1CC1 ZINC000134167725 591898462 /nfs/dbraw/zinc/89/84/62/591898462.db2.gz BZRJVERKTFPVAO-IDVQTMNDSA-N 0 0 204.269 2.298 10 30 BEEERN C#CCN(CC#C)CC#Cc1ccccc1Cl ZINC000135113692 591986686 /nfs/dbraw/zinc/98/66/86/591986686.db2.gz CDQYBIIQRFCDJM-UHFFFAOYSA-N 0 0 241.721 2.260 10 30 BEEERN CCC(CC)OC(=O)c1cc(C#N)cn1C ZINC000135355637 592006903 /nfs/dbraw/zinc/00/69/03/592006903.db2.gz SYHGWIPEHAOMMD-UHFFFAOYSA-N 0 0 220.272 2.242 10 30 BEEERN CCSCC[NH2+]Cc1ccc(C#N)cc1 ZINC000135547620 592017244 /nfs/dbraw/zinc/01/72/44/592017244.db2.gz 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246.354 2.376 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328795135 633842071 /nfs/dbraw/zinc/84/20/71/633842071.db2.gz BXNSZACTWUKVAB-KZVJFYERSA-N 0 0 210.277 2.106 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)OCC(C)(C)CCC#N)O1 ZINC000195087816 634350016 /nfs/dbraw/zinc/35/00/16/634350016.db2.gz HJVUHJBVOAWPIH-MNOVXSKESA-N 0 0 239.315 2.427 10 30 BEEERN CCC[C@H]1CCc2nc(N)c(C#N)cc2C1 ZINC000050871122 636642995 /nfs/dbraw/zinc/64/29/95/636642995.db2.gz QHNSXVWXMOOKLS-VIFPVBQESA-N 0 0 215.300 2.440 10 30 BEEERN C=CCCCC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000179229660 636761860 /nfs/dbraw/zinc/76/18/60/636761860.db2.gz ZKKXWMYRYGDBJU-NEPJUHHUSA-N 0 0 225.332 2.010 10 30 BEEERN N#Cc1cc(N2CCO[C@H]3CCCC[C@H]32)ccn1 ZINC000227099017 640815618 /nfs/dbraw/zinc/81/56/18/640815618.db2.gz JSHSSBXQEJKMJI-KGLIPLIRSA-N 0 0 243.310 2.101 10 30 BEEERN C[C@H]1Cc2c(C#N)c(N)ncc2[C@H](C)C1 ZINC000675064393 640962443 /nfs/dbraw/zinc/96/24/43/640962443.db2.gz ZISZNXALBBITJY-HTQZYQBOSA-N 0 0 201.273 2.221 10 30 BEEERN N#Cc1cc(N2CCO[C@H]3CCCC[C@@H]32)ccn1 ZINC000061815161 640998778 /nfs/dbraw/zinc/99/87/78/640998778.db2.gz JSHSSBXQEJKMJI-KBPBESRZSA-N 0 0 243.310 2.101 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccnc1Cl ZINC000061890251 641005369 /nfs/dbraw/zinc/00/53/69/641005369.db2.gz HLUQSHGQAQLONV-SCZZXKLOSA-N 0 0 249.701 2.157 10 30 BEEERN COC1CC(Nc2nc3c(cc2C#N)CCC3)C1 ZINC000230598669 641071870 /nfs/dbraw/zinc/07/18/70/641071870.db2.gz RESLYOBMQGQQQY-UHFFFAOYSA-N 0 0 243.310 2.031 10 30 BEEERN C#CCOC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000174023810 641230376 /nfs/dbraw/zinc/23/03/76/641230376.db2.gz WETUIKCSZFQNFA-NEPJUHHUSA-N 0 0 206.285 2.379 10 30 BEEERN C#CCCCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000174076968 641236973 /nfs/dbraw/zinc/23/69/73/641236973.db2.gz NYLBWZJCJLCVTO-LLVKDONJSA-N 0 0 234.299 2.362 10 30 BEEERN Cc1cc(Br)c2ncc(C#N)n2c1 ZINC000675074195 641325301 /nfs/dbraw/zinc/32/53/01/641325301.db2.gz YXHAHMMRPFZHLS-UHFFFAOYSA-N 0 0 236.072 2.277 10 30 BEEERN CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000006159011 641603955 /nfs/dbraw/zinc/60/39/55/641603955.db2.gz REONXISXQQBQDU-QMMMGPOBSA-N 0 0 216.265 2.492 10 30 BEEERN C=C(Br)CN1C[C@@H]2CCC[C@H]21 ZINC000306294681 642736641 /nfs/dbraw/zinc/73/66/41/642736641.db2.gz YGSNQPNWSDVUEZ-DTWKUNHWSA-N 0 0 216.122 2.379 10 30 BEEERN C[C@H](C#N)NC(=O)C1CCCCCCC1 ZINC000086579650 643636616 /nfs/dbraw/zinc/63/66/16/643636616.db2.gz JIXRWKNMGBYPHP-SNVBAGLBSA-N 0 0 208.305 2.375 10 30 BEEERN C[C@H](OC(=O)c1cccc(C#N)c1)[C@H]1CCOC1 ZINC000079176599 644159973 /nfs/dbraw/zinc/15/99/73/644159973.db2.gz XWUKRDRGFRIZPC-GWCFXTLKSA-N 0 0 245.278 2.140 10 30 BEEERN C[C@H](C#N)NC(=O)/C=C/c1ccccc1Cl ZINC000195445256 644392108 /nfs/dbraw/zinc/39/21/08/644392108.db2.gz YMEVODNNAATPIY-XCODYQFDSA-N 0 0 234.686 2.381 10 30 BEEERN C=C(Br)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252947567 644924926 /nfs/dbraw/zinc/92/49/26/644924926.db2.gz ALPMSIGTIFYFCP-AYMMMOKOSA-N 0 0 244.132 2.057 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)Oc2ccc(C#N)cc2)O1 ZINC000121368654 645092042 /nfs/dbraw/zinc/09/20/42/645092042.db2.gz HZMZECXLSYMPPA-CABZTGNLSA-N 0 0 231.251 2.031 10 30 BEEERN C#C[C@@H](OC(=O)c1cccc(OC)c1F)C1CC1 ZINC000134014481 645870731 /nfs/dbraw/zinc/87/07/31/645870731.db2.gz CQZVQAQHZULEQR-LLVKDONJSA-N 0 0 248.253 2.403 10 30 BEEERN C#C[C@H](OC(=O)COc1cccc(C)c1)C1CC1 ZINC000134017437 645871077 /nfs/dbraw/zinc/87/10/77/645871077.db2.gz HQUDKKLJALHWHN-AWEZNQCLSA-N 0 0 244.290 2.329 10 30 BEEERN CCN(C(=O)CC#N)c1ccc(C)cc1 ZINC000049990497 711594167 /nfs/dbraw/zinc/59/41/67/711594167.db2.gz BZZIAOAPTMAMBL-UHFFFAOYSA-N 0 0 202.257 2.262 10 30 BEEERN CSC1CC(Nc2ncccc2C#N)C1 ZINC000708277018 712185799 /nfs/dbraw/zinc/18/57/99/712185799.db2.gz YSUOLHHGDFUUAU-UHFFFAOYSA-N 0 0 219.313 2.259 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)/C=C\c1ccco1 ZINC000700875088 712009129 /nfs/dbraw/zinc/00/91/29/712009129.db2.gz RESDFRSFANRRER-ZHLQDTFKSA-N 0 0 230.267 2.101 10 30 BEEERN CC/C=C(/C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000701336509 712021069 /nfs/dbraw/zinc/02/10/69/712021069.db2.gz KGAQJJBVTROKFV-DESOLJLISA-N 0 0 206.289 2.151 10 30 BEEERN CC/C=C(\C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000701336516 712021080 /nfs/dbraw/zinc/02/10/80/712021080.db2.gz KGAQJJBVTROKFV-WJHWTWHCSA-N 0 0 206.289 2.151 10 30 BEEERN CSC1CC(Nc2ccc(C#N)nc2)C1 ZINC000706954085 712163098 /nfs/dbraw/zinc/16/30/98/712163098.db2.gz ARBGUWHBYZDPTI-UHFFFAOYSA-N 0 0 219.313 2.259 10 30 BEEERN Cc1coc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000718133476 712747053 /nfs/dbraw/zinc/74/70/53/712747053.db2.gz UPAZWDHNKVKGSH-ZYHUDNBSSA-N 0 0 204.273 2.370 10 30 BEEERN CC[C@@H](C#N)NC(=O)c1cc(Cl)ccc1O ZINC000040350812 1165816478 /nfs/dbraw/zinc/81/64/78/1165816478.db2.gz PZDQEHDVXUOBLW-QMMMGPOBSA-N 0 0 238.674 2.078 10 30 BEEERN C[C@H](CC#N)C(=O)OCc1ccccc1F ZINC000049818101 1165881340 /nfs/dbraw/zinc/88/13/40/1165881340.db2.gz XUAXGGFQFVGXHI-SECBINFHSA-N 0 0 221.231 2.419 10 30 BEEERN C#CC[N@H+](CC(=O)[O-])C[C@@H](C)CC(C)(C)C ZINC000709077575 955007378 /nfs/dbraw/zinc/00/73/78/955007378.db2.gz SWHULJVJTZHKCF-NSHDSACASA-N 0 0 225.332 2.079 10 30 BEEERN C=C(C)C[C@@H](C)C(=O)N=c1sccn1C ZINC000588473699 958719355 /nfs/dbraw/zinc/71/93/55/958719355.db2.gz MAXIOLCYZMXZFS-SECBINFHSA-N 0 0 224.329 2.116 10 30 BEEERN CC[C@@H](CC#N)OC(=O)/C=C\c1cncc(F)c1 ZINC000588557985 959171674 /nfs/dbraw/zinc/17/16/74/959171674.db2.gz FKCPVDVXHLBNOR-MVZIDQBPSA-N 0 0 248.257 2.469 10 30 BEEERN C#CC1CC[NH+](Cc2csc(C(=O)[O-])c2)CC1 ZINC000689080635 976207840 /nfs/dbraw/zinc/20/78/40/976207840.db2.gz JHLJSEARKJWNRN-UHFFFAOYSA-N 0 0 249.335 2.292 10 30 BEEERN C#C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)C(C)(C)C ZINC000702275306 977075325 /nfs/dbraw/zinc/07/53/25/977075325.db2.gz JFIRLRCDIHQRMH-QWHCGFSZSA-N 0 0 245.322 2.450 10 30 BEEERN C#C[C@H]([NH2+]Cc1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000702278143 977075403 /nfs/dbraw/zinc/07/54/03/977075403.db2.gz VRNCWNHSAPUZPQ-NSHDSACASA-N 0 0 235.283 2.115 10 30 BEEERN C#CC[N@H+](Cc1ccoc1C(=O)[O-])C(C)(C)C ZINC000723033688 978168458 /nfs/dbraw/zinc/16/84/58/978168458.db2.gz KYTSCEOVKOELFZ-UHFFFAOYSA-N 0 0 235.283 2.212 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)c1cc(F)ccc1N ZINC000037820986 1170979383 /nfs/dbraw/zinc/97/93/83/1170979383.db2.gz VRPCCKXLWCDTON-SECBINFHSA-N 0 0 249.289 2.030 10 30 BEEERN C[C@@H](C#N)C(=O)Nc1ccc(F)c(F)c1F ZINC000044809600 1171413092 /nfs/dbraw/zinc/41/30/92/1171413092.db2.gz PIKJQSGBRYDYMG-YFKPBYRVSA-N 0 0 228.173 2.202 10 30 BEEERN C[C@@H](CC#N)C(=O)OCc1ccccc1 ZINC000049804378 1171731211 /nfs/dbraw/zinc/73/12/11/1171731211.db2.gz VUASDALXHWOLMT-JTQLQIEISA-N 0 0 203.241 2.280 10 30 BEEERN C=C[C@H](C)OCC(F)(F)CNCCC ZINC000685957846 538905262 /nfs/dbraw/zinc/90/52/62/538905262.db2.gz IPCJKFIBSBPROW-VIFPVBQESA-N 0 0 207.264 2.212 10 30 BEEERN C=CC(=O)C1(CC)CN(C(=O)OC(C)(C)C)C1 ZINC000685958486 538905798 /nfs/dbraw/zinc/90/57/98/538905798.db2.gz VTOACKBAEDCRMS-UHFFFAOYSA-N 0 0 239.315 2.389 10 30 BEEERN C=C(C)C(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685962220 538909257 /nfs/dbraw/zinc/90/92/57/538909257.db2.gz ZARPZYLYKLIQIX-NXEZZACHSA-N 0 0 239.315 2.292 10 30 BEEERN CC(C)(C)OC(=O)C#C[C@@H]1CCCS1 ZINC000685953063 538896790 /nfs/dbraw/zinc/89/67/90/538896790.db2.gz JEIYVVYVTUYXJZ-VIFPVBQESA-N 0 0 212.314 2.227 10 30 BEEERN C#Cc1nc2cc(Br)ccc2[nH]1 ZINC000685963903 538910741 /nfs/dbraw/zinc/91/07/41/538910741.db2.gz IMMDAINVHKDLPT-UHFFFAOYSA-N 0 0 221.057 2.307 10 30 BEEERN CC(C)(C)CN(CCC#N)Cc1cncnc1 ZINC000119181864 136212876 /nfs/dbraw/zinc/21/28/76/136212876.db2.gz HFKKQXNTDZCXLG-UHFFFAOYSA-N 0 0 232.331 2.238 10 30 BEEERN CCn1ccnc1COc1cccc(F)c1C#N ZINC000155636446 136213141 /nfs/dbraw/zinc/21/31/41/136213141.db2.gz AKKWEDOMNYALBW-UHFFFAOYSA-N 0 0 245.257 2.493 10 30 BEEERN N#Cc1cc(N)cc(C(F)(F)F)c1F ZINC000307450091 398168196 /nfs/dbraw/zinc/16/81/96/398168196.db2.gz OBEOADPEARWBAT-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN Cc1cc(CN[C@@H]2CCCC[C@H]2C#N)on1 ZINC000054828014 178034223 /nfs/dbraw/zinc/03/42/23/178034223.db2.gz RNXJFTRHJDUHLB-CMPLNLGQSA-N 0 0 219.288 2.155 10 30 BEEERN C=C[C@@H](O)c1ccc(Br)cc1N ZINC000575516960 398175608 /nfs/dbraw/zinc/17/56/08/398175608.db2.gz GHCVXUFOMVVZFV-SECBINFHSA-N 0 0 228.089 2.251 10 30 BEEERN Cc1cc(F)c2ncc(C#N)c(N)c2c1 ZINC000050842610 178075678 /nfs/dbraw/zinc/07/56/78/178075678.db2.gz WAWAYKJDZTXMCW-UHFFFAOYSA-N 0 0 201.204 2.136 10 30 BEEERN CSCCC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000116804603 136219272 /nfs/dbraw/zinc/21/92/72/136219272.db2.gz HITWYJFPZQRKAL-JQWIXIFHSA-N 0 0 240.372 2.328 10 30 BEEERN Cc1cc(NC[C@@H](O)C(C)(C)C)c(C#N)c(C)n1 ZINC000301768421 178164935 /nfs/dbraw/zinc/16/49/35/178164935.db2.gz IGCCLPVRGNWRIK-CYBMUJFWSA-N 0 0 247.342 2.389 10 30 BEEERN Cc1cc(NC[C@H]2CC[C@H](O)C2)c(C#N)c(C)n1 ZINC000235826471 178169930 /nfs/dbraw/zinc/16/99/30/178169930.db2.gz HZZISWBFYVVTNL-RYUDHWBXSA-N 0 0 245.326 2.143 10 30 BEEERN Cc1cc(NCc2ccc(C#N)cc2)ncn1 ZINC000040727281 178171991 /nfs/dbraw/zinc/17/19/91/178171991.db2.gz VNAAOBNECGSOJB-UHFFFAOYSA-N 0 0 224.267 2.269 10 30 BEEERN C[C@@H](CC1CC1)NC(=O)c1ccc(C#N)cc1 ZINC000070104290 398221211 /nfs/dbraw/zinc/22/12/11/398221211.db2.gz HDEAMJGTHOWYAB-JTQLQIEISA-N 0 0 228.295 2.477 10 30 BEEERN Cc1cc(N[C@H](C)[C@H]2CCCO2)cc(C#N)n1 ZINC000308278280 178186626 /nfs/dbraw/zinc/18/66/26/178186626.db2.gz SHHVASGUPMZZPW-ZWNOBZJWSA-N 0 0 231.299 2.241 10 30 BEEERN Cc1cc(N[C@H]2C[C@H](O)C2(C)C)c(C#N)c(C)n1 ZINC000128766870 178191767 /nfs/dbraw/zinc/19/17/67/178191767.db2.gz HNBKRAFUQMQIOG-STQMWFEESA-N 0 0 245.326 2.141 10 30 BEEERN Cc1cc(S[C@H](C)[C@H](C)O)c(C#N)c(C)n1 ZINC000227594037 178219477 /nfs/dbraw/zinc/21/94/77/178219477.db2.gz YDBNABZVPUDFIN-VHSXEESVSA-N 0 0 236.340 2.432 10 30 BEEERN Cc1cc(S[C@@H](C)[C@@H](C)O)c(C#N)c(C)n1 ZINC000227594024 178219771 /nfs/dbraw/zinc/21/97/71/178219771.db2.gz YDBNABZVPUDFIN-ZJUUUORDSA-N 0 0 236.340 2.432 10 30 BEEERN Cc1cc([C@@H](C#N)N2CCOCC2)ccc1F ZINC000050559528 178219972 /nfs/dbraw/zinc/21/99/72/178219972.db2.gz UEXTXEHDRVPCSP-CYBMUJFWSA-N 0 0 234.274 2.031 10 30 BEEERN COC(=O)C#CCc1cccc(Cl)c1 ZINC000070835284 361779656 /nfs/dbraw/zinc/77/96/56/361779656.db2.gz XEYKVQBMOHDKGJ-UHFFFAOYSA-N 0 0 208.644 2.059 10 30 BEEERN COC(=O)C#Cc1ccc(C(C)C)cc1 ZINC000070835441 361780188 /nfs/dbraw/zinc/78/01/88/361780188.db2.gz PYGYLWSNURBYAO-UHFFFAOYSA-N 0 0 202.253 2.335 10 30 BEEERN COC(=O)[C@@]1(C(C)C)O[C@@]1(C)CC1CC1 ZINC000229762708 538941123 /nfs/dbraw/zinc/94/11/23/538941123.db2.gz BJCILJXXQAKPLC-NWDGAFQWSA-N 0 0 212.289 2.143 10 30 BEEERN Cc1ccc(NC2=NC[C@@H](C)S2)nc1 ZINC000020354397 178360236 /nfs/dbraw/zinc/36/02/36/178360236.db2.gz WQOGKUCQOMUBKH-MRVPVSSYSA-N 0 0 207.302 2.102 10 30 BEEERN Cc1ccc(/N=C2/NC(=O)CS2)cc1Cl ZINC000218707090 178360366 /nfs/dbraw/zinc/36/03/66/178360366.db2.gz ISUFYTCMCFHWST-UHFFFAOYSA-N 0 0 240.715 2.499 10 30 BEEERN Cc1ccc(C#N)cc1NC1CCS(=O)CC1 ZINC000050430064 178367841 /nfs/dbraw/zinc/36/78/41/178367841.db2.gz ALAOQYFPVQZSLH-UHFFFAOYSA-N 0 0 248.351 2.190 10 30 BEEERN Cc1ccc(C#N)c(OC[C@H]2CCOC2)c1 ZINC000051598514 178366115 /nfs/dbraw/zinc/36/61/15/178366115.db2.gz IGCADNMUBROGEH-NSHDSACASA-N 0 0 217.268 2.282 10 30 BEEERN Cc1nccn1CCNc1cc(C#N)ccc1C ZINC000050430130 178367086 /nfs/dbraw/zinc/36/70/86/178367086.db2.gz BPFZFOAFDMFUOU-UHFFFAOYSA-N 0 0 240.310 2.484 10 30 BEEERN Cc1ccc(C(=O)N(CC#N)C(C)C)cc1 ZINC000057497670 178380883 /nfs/dbraw/zinc/38/08/83/178380883.db2.gz OFHDOLXPZQXWNX-UHFFFAOYSA-N 0 0 216.284 2.369 10 30 BEEERN C=CC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405823728 538961258 /nfs/dbraw/zinc/96/12/58/538961258.db2.gz YEYLYGCZQLOUBC-ZJUUUORDSA-N 0 0 239.315 2.435 10 30 BEEERN C=CC(=O)[C@@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406044331 538962857 /nfs/dbraw/zinc/96/28/57/538962857.db2.gz RBYNNVXVNBSACA-NXEZZACHSA-N 0 0 237.299 2.211 10 30 BEEERN C=CCCC(=O)CNC(=O)OCc1ccccc1 ZINC000406004614 538962155 /nfs/dbraw/zinc/96/21/55/538962155.db2.gz CQJLQKYHAZGJOR-UHFFFAOYSA-N 0 0 247.294 2.448 10 30 BEEERN CCCCC[C@H]1CC(=O)CC(O)=C1C(=O)OC ZINC000003944871 342739723 /nfs/dbraw/zinc/73/97/23/342739723.db2.gz FETWVVHGLAIOOR-JOYOIKCWSA-N 0 0 240.299 2.387 10 30 BEEERN C=C[C@@H](OC(C)=O)c1ccc(C(=O)OC)cc1 ZINC000145972194 342764823 /nfs/dbraw/zinc/76/48/23/342764823.db2.gz IAERZJDBIUYNLP-GFCCVEGCSA-N 0 0 234.251 2.263 10 30 BEEERN CC(=O)c1ccc(C#CCCCO)s1 ZINC000585144812 398284355 /nfs/dbraw/zinc/28/43/55/398284355.db2.gz HJVUVGHBLPESCG-UHFFFAOYSA-N 0 0 208.282 2.075 10 30 BEEERN O=C(Nc1ccc2[nH]ccc2c1)OC[C@H]1CO1 ZINC000200988432 342798622 /nfs/dbraw/zinc/79/86/22/342798622.db2.gz CQSDPSDXVSSXIQ-SNVBAGLBSA-N 0 0 232.239 2.115 10 30 BEEERN CC(C)(C)c1nc([C@@H](O)CC#N)cs1 ZINC000127040604 342814794 /nfs/dbraw/zinc/81/47/94/342814794.db2.gz IJGMYIGOMLBPDO-QMMMGPOBSA-N 0 0 210.302 2.388 10 30 BEEERN C[Si](C)(C)C#Cc1cc([N+](=O)[O-])ccn1 ZINC000215866953 342827067 /nfs/dbraw/zinc/82/70/67/342827067.db2.gz HMEKYMAJIZFSRN-UHFFFAOYSA-N 0 0 220.304 2.219 10 30 BEEERN N#CCSc1c(F)cc(N)cc1F ZINC000042143282 361960007 /nfs/dbraw/zinc/96/00/07/361960007.db2.gz CBUQXFXBXKFFDJ-UHFFFAOYSA-N 0 0 200.213 2.163 10 30 BEEERN C[C@H](C=NNC(N)=S)C1CCCCC1 ZINC000308528496 342853787 /nfs/dbraw/zinc/85/37/87/342853787.db2.gz YKLNUFPIQVTOCT-MRVPVSSYSA-N 0 0 213.350 2.022 10 30 BEEERN C#CCNc1cccc(Br)c1C#N ZINC000164981954 342863092 /nfs/dbraw/zinc/86/30/92/342863092.db2.gz BWOKORKHSILVNG-UHFFFAOYSA-N 0 0 235.084 2.366 10 30 BEEERN CC[C@@H](C#N)NC(=O)OCc1ccccc1 ZINC000219437361 342868259 /nfs/dbraw/zinc/86/82/59/342868259.db2.gz TWAWFUGNYJFAEX-NSHDSACASA-N 0 0 218.256 2.215 10 30 BEEERN C[C@@H](C#N)CN[C@H]1CCc2ccccc21 ZINC000035180687 342885253 /nfs/dbraw/zinc/88/52/53/342885253.db2.gz QLEQHHDUHFVTMC-GWCFXTLKSA-N 0 0 200.285 2.423 10 30 BEEERN C[C@@H]1OCC[C@@H]1NC(=O)C[C@@H]1CCCC(=O)N1 ZINC000329678279 136245897 /nfs/dbraw/zinc/24/58/97/136245897.db2.gz WZANNDNLLSNWMP-GUBZILKMSA-N 0 0 240.303 2.019 10 30 BEEERN C[C@H]1CCC[C@H](NC(=O)CS)CC1 ZINC000235577926 344008616 /nfs/dbraw/zinc/00/86/16/344008616.db2.gz QBAJAZHSCHPLQY-IUCAKERBSA-N 0 0 201.335 2.001 10 30 BEEERN N#Cc1cncc(C#Cc2ccc(F)cc2)c1 ZINC000116291180 342923280 /nfs/dbraw/zinc/92/32/80/342923280.db2.gz HBHUGFZLTIYROT-UHFFFAOYSA-N 0 0 222.222 2.492 10 30 BEEERN N#Cc1cncc(C#Cc2ccccc2F)c1 ZINC000116291451 342923526 /nfs/dbraw/zinc/92/35/26/342923526.db2.gz DYSLTZICBOIWGE-UHFFFAOYSA-N 0 0 222.222 2.492 10 30 BEEERN C[C@@H](CC#N)Nc1ccnc(C2CC2)n1 ZINC000112554905 346890319 /nfs/dbraw/zinc/89/03/19/346890319.db2.gz RRAVVOJIQQQSLW-QMMMGPOBSA-N 0 0 202.261 2.068 10 30 BEEERN C#CCC(=O)c1ccc(OC(F)F)cc1 ZINC000167693445 346888914 /nfs/dbraw/zinc/88/89/14/346888914.db2.gz KXKCUPNGYWLOAH-UHFFFAOYSA-N 0 0 210.179 2.494 10 30 BEEERN CS[C@@H]1CCCCN(c2nccc(C#N)n2)C1 ZINC000297450548 398343951 /nfs/dbraw/zinc/34/39/51/398343951.db2.gz JIRRAFQQSCKKGO-LLVKDONJSA-N 0 0 248.355 2.070 10 30 BEEERN CC(C)[C@H](C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188232859 398344716 /nfs/dbraw/zinc/34/47/16/398344716.db2.gz VMILTLKPQSBVQU-VIFPVBQESA-N 0 0 232.283 2.038 10 30 BEEERN C#C[C@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000117197979 342949426 /nfs/dbraw/zinc/94/94/26/342949426.db2.gz VZGGMXOCTVYSJO-VKHMYHEASA-N 0 0 222.112 2.049 10 30 BEEERN C=C(C(=O)OCC)[C@@H](O)c1ccccc1C ZINC000019836262 187206075 /nfs/dbraw/zinc/20/60/75/187206075.db2.gz INYOUBVQHDLGOX-GFCCVEGCSA-N 0 0 220.268 2.148 10 30 BEEERN C=C(C(=O)OCC)[C@H](O)c1cc(C)ccc1C ZINC000019835325 187206555 /nfs/dbraw/zinc/20/65/55/187206555.db2.gz WWOXMHGCMDYXQD-ZDUSSCGKSA-N 0 0 234.295 2.456 10 30 BEEERN C#CCOc1c(C=O)c(C)nn1-c1ccccc1 ZINC000034147112 187208359 /nfs/dbraw/zinc/20/83/59/187208359.db2.gz XBDFSLWZORPMMA-UHFFFAOYSA-N 0 0 240.262 2.005 10 30 BEEERN CC1=CC(=O)C(Cc2cccnc2)=C(C)C1=O ZINC000138628986 342978077 /nfs/dbraw/zinc/97/80/77/342978077.db2.gz VETPUUZYTKJCLB-UHFFFAOYSA-N 0 0 227.263 2.039 10 30 BEEERN CO/N=C(\C)Cc1ccc(OC)c(OC)c1 ZINC000214582700 349755884 /nfs/dbraw/zinc/75/58/84/349755884.db2.gz YOKJFYLAEYAWHW-UKTHLTGXSA-N 0 0 223.272 2.269 10 30 BEEERN CC(C)C[C@H](C)N=C(NC#N)Nc1ccncc1 ZINC000013232488 343073662 /nfs/dbraw/zinc/07/36/62/343073662.db2.gz NYKRJTFZRXSWQR-NSHDSACASA-N 0 0 245.330 2.355 10 30 BEEERN C#C[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000584883777 343086854 /nfs/dbraw/zinc/08/68/54/343086854.db2.gz IKFCQDLWSRZTHV-GWCFXTLKSA-N 0 0 221.300 2.267 10 30 BEEERN C=CCc1cc(C(C)=O)c(O)cc1OCC#N ZINC000013650543 343099963 /nfs/dbraw/zinc/09/99/63/343099963.db2.gz MQYCIQKBXUQCIZ-UHFFFAOYSA-N 0 0 231.251 2.226 10 30 BEEERN C=C(C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000200299329 343118613 /nfs/dbraw/zinc/11/86/13/343118613.db2.gz GNOMXFXKFAJSAO-UHFFFAOYSA-N 0 0 220.228 2.134 10 30 BEEERN CC(C)(C)OC(=O)CNc1ccc(C#N)cc1 ZINC000022011569 343140211 /nfs/dbraw/zinc/14/02/11/343140211.db2.gz LHKWOZLGOKQFFY-UHFFFAOYSA-N 0 0 232.283 2.312 10 30 BEEERN CC1(C)OC(=O)[C@@H](C#N)[C@@H]1c1ccccc1 ZINC000001701127 187245057 /nfs/dbraw/zinc/24/50/57/187245057.db2.gz ZYAXOYUQIOBZSM-QWRGUYRKSA-N 0 0 215.252 2.245 10 30 BEEERN C=CCCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000135539666 343193154 /nfs/dbraw/zinc/19/31/54/343193154.db2.gz SSZKATCMWLUMKT-UHFFFAOYSA-N 0 0 217.228 2.454 10 30 BEEERN N#Cc1csc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000086573725 136281023 /nfs/dbraw/zinc/28/10/23/136281023.db2.gz SVOYAWRVPMXJFR-JQWIXIFHSA-N 0 0 231.324 2.402 10 30 BEEERN C[C@@H](C#N)CN(C)c1cc(Cl)nnc1Cl ZINC000127129538 343234805 /nfs/dbraw/zinc/23/48/05/343234805.db2.gz MIUHRGPLUGHZMR-LURJTMIESA-N 0 0 245.113 2.379 10 30 BEEERN C=C(Cl)CNc1ccc(S(C)(=O)=O)cc1 ZINC000037681036 187253236 /nfs/dbraw/zinc/25/32/36/187253236.db2.gz UPVBHWFHEZRREW-UHFFFAOYSA-N 0 0 245.731 2.255 10 30 BEEERN N#C[C@@H](c1cccnc1)N1CCCCC1 ZINC000019933981 187253390 /nfs/dbraw/zinc/25/33/90/187253390.db2.gz XUHYAEYKBVYOGZ-LBPRGKRZSA-N 0 0 201.273 2.132 10 30 BEEERN C(=NNc1nc2ccccc2[nH]1)c1ccncc1 ZINC000033396484 187256592 /nfs/dbraw/zinc/25/65/92/187256592.db2.gz SNMXNQRKRHANMS-DHDCSXOGSA-N 0 0 237.266 2.404 10 30 BEEERN NC(=S)c1cccc(/C=N/c2ccccc2)n1 ZINC000017121388 343392134 /nfs/dbraw/zinc/39/21/34/343392134.db2.gz FXVUDPGAFBMBKO-OQLLNIDSSA-N 0 0 241.319 2.466 10 30 BEEERN OCC#CCOc1ccc(C(F)(F)F)cc1 ZINC000149774822 343450576 /nfs/dbraw/zinc/45/05/76/343450576.db2.gz CEDXZCZCODTECM-UHFFFAOYSA-N 0 0 230.185 2.080 10 30 BEEERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1cn[nH]n1 ZINC000329358716 136365194 /nfs/dbraw/zinc/36/51/94/136365194.db2.gz XGAYGGYHOCBCTK-QWRGUYRKSA-N 0 0 248.330 2.326 10 30 BEEERN CC(C)[C@@H](C=O)N(C)C(=O)OC(C)(C)C ZINC000038586923 259361194 /nfs/dbraw/zinc/36/11/94/259361194.db2.gz WZZUQWBUVSVLRT-SECBINFHSA-N 0 0 215.293 2.077 10 30 BEEERN C[C@@H](C#N)CN(C)c1ncnc2ccccc21 ZINC000045802350 343534271 /nfs/dbraw/zinc/53/42/71/343534271.db2.gz DTQKWASNMDACTJ-JTQLQIEISA-N 0 0 226.283 2.226 10 30 BEEERN COc1c(C#N)c(OC)c(CO)c2ccccc21 ZINC000204329455 343564954 /nfs/dbraw/zinc/56/49/54/343564954.db2.gz MWRJLVXTOPERTL-UHFFFAOYSA-N 0 0 243.262 2.221 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCOCC1 ZINC000330231027 537788190 /nfs/dbraw/zinc/78/81/90/537788190.db2.gz QWHRRIMXUKTHQL-SRVKXCTJSA-N 0 0 236.315 2.452 10 30 BEEERN N#CCCN(CCOc1ccc(N)cc1)C1CC1 ZINC000042530975 187265418 /nfs/dbraw/zinc/26/54/18/187265418.db2.gz IQWKOAODNNVODB-UHFFFAOYSA-N 0 0 245.326 2.026 10 30 BEEERN CC(C)N(CCC#N)CCc1ccccn1 ZINC000042530789 187265864 /nfs/dbraw/zinc/26/58/64/187265864.db2.gz ZTYRYLWFKRBDES-UHFFFAOYSA-N 0 0 217.316 2.248 10 30 BEEERN COc1ccc2c(c1OC)CCC/C(=N\O)C2=O ZINC000019880390 343610873 /nfs/dbraw/zinc/61/08/73/343610873.db2.gz PLPYGVWKWWWEBR-GXDHUFHOSA-N 0 0 249.266 2.053 10 30 BEEERN COc1cncc(OC(F)(F)F)c1CC#N ZINC000309515489 343661898 /nfs/dbraw/zinc/66/18/98/343661898.db2.gz UOJJBTLFBAIMCP-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN C=C[C@H]1C(=C)C(=O)Oc2cc(OC)ccc21 ZINC000084672478 187269276 /nfs/dbraw/zinc/26/92/76/187269276.db2.gz KHAWFJVWXKAOKG-JTQLQIEISA-N 0 0 216.236 2.440 10 30 BEEERN N#Cc1cc(NC[C@@H]2CCOC2)ccc1F ZINC000051635521 187271027 /nfs/dbraw/zinc/27/10/27/187271027.db2.gz XNVVCLFJZKENRL-VIFPVBQESA-N 0 0 220.247 2.146 10 30 BEEERN C=C1C(=O)Oc2cc(OC)ccc2[C@@H]1C ZINC000084729797 187269578 /nfs/dbraw/zinc/26/95/78/187269578.db2.gz FOZHKZVENGRTSJ-SSDOTTSWSA-N 0 0 204.225 2.274 10 30 BEEERN Cc1ccc(S[C@@H](C)CO)c(C#N)c1 ZINC000235119929 343745705 /nfs/dbraw/zinc/74/57/05/343745705.db2.gz VYEDWPQRACVKFO-VIFPVBQESA-N 0 0 207.298 2.340 10 30 BEEERN Cc1ccnc(NCC[C@H]2CCCO2)c1C#N ZINC000135072167 343712075 /nfs/dbraw/zinc/71/20/75/343712075.db2.gz FXYBLDPSIARREJ-LLVKDONJSA-N 0 0 231.299 2.243 10 30 BEEERN Cc1ccnc(N2CCC[C@H]2CCCO)c1C#N ZINC000135075406 343730989 /nfs/dbraw/zinc/73/09/89/343730989.db2.gz UNTBFANEXCRZKW-LBPRGKRZSA-N 0 0 245.326 2.003 10 30 BEEERN Cc1cnc(N(C)c2ccc(C#N)cc2)nc1 ZINC000063048397 187273899 /nfs/dbraw/zinc/27/38/99/187273899.db2.gz IFOXMGPMFHEWPM-UHFFFAOYSA-N 0 0 224.267 2.425 10 30 BEEERN CCc1ccc(OC)c(OC)c1CC#N ZINC000215266966 349869181 /nfs/dbraw/zinc/86/91/81/349869181.db2.gz FJQGZJKMVWRLCW-UHFFFAOYSA-N 0 0 205.257 2.332 10 30 BEEERN COc1ccc(C[C@@](C)(C#N)NC2CC2)cc1 ZINC000071169450 187275558 /nfs/dbraw/zinc/27/55/58/187275558.db2.gz GZGLFQYAODEXTQ-AWEZNQCLSA-N 0 0 230.311 2.272 10 30 BEEERN N#CCn1nc(-c2ccsc2)c2c1CCOC2 ZINC000409436880 343841280 /nfs/dbraw/zinc/84/12/80/343841280.db2.gz BWWXTPMYTHZLBZ-UHFFFAOYSA-N 0 0 245.307 2.208 10 30 BEEERN COCCOc1cncc(C#C[Si](C)(C)C)c1 ZINC000208796105 343844224 /nfs/dbraw/zinc/84/42/24/343844224.db2.gz RTOPDTDIZORMJP-UHFFFAOYSA-N 0 0 249.386 2.336 10 30 BEEERN O=CCn1nc(-c2cccnc2)cc1C1CC1 ZINC000409439071 343846358 /nfs/dbraw/zinc/84/63/58/343846358.db2.gz GMJHZTYJNGIKMY-UHFFFAOYSA-N 0 0 227.267 2.021 10 30 BEEERN Cc1[nH]nc(C2CCOCC2)c1CCC#N ZINC000409439233 343846870 /nfs/dbraw/zinc/84/68/70/343846870.db2.gz HQHMJULKESJCRB-UHFFFAOYSA-N 0 0 219.288 2.068 10 30 BEEERN C#CCn1cc(CC#N)c(-c2ccsc2)n1 ZINC000409438067 343849692 /nfs/dbraw/zinc/84/96/92/343849692.db2.gz JWCFLWHINAQPPM-UHFFFAOYSA-N 0 0 227.292 2.311 10 30 BEEERN C#CCn1ccn2nc(-c3cccs3)cc12 ZINC000409440753 343852340 /nfs/dbraw/zinc/85/23/40/343852340.db2.gz YZXCZMPURDTTDG-UHFFFAOYSA-N 0 0 227.292 2.498 10 30 BEEERN C=C[C@@H](C)Nc1nc(Cl)nc(C)c1N ZINC000235220514 343870239 /nfs/dbraw/zinc/87/02/39/343870239.db2.gz JOBOQXIBTZPLIE-RXMQYKEDSA-N 0 0 212.684 2.007 10 30 BEEERN O=C[C@@H]1CCCN(c2ncccc2Cl)C1 ZINC000054268674 343885175 /nfs/dbraw/zinc/88/51/75/343885175.db2.gz JDSHHDUANLDWPS-SECBINFHSA-N 0 0 224.691 2.150 10 30 BEEERN CC#CCNc1cnn(Cc2ccccc2)c1 ZINC000307545630 343941422 /nfs/dbraw/zinc/94/14/22/343941422.db2.gz KEBADSYNLCULFF-UHFFFAOYSA-N 0 0 225.295 2.367 10 30 BEEERN C#C[C@H](C)Oc1nc(Cl)c(C#N)s1 ZINC000307402723 343933129 /nfs/dbraw/zinc/93/31/29/343933129.db2.gz BKMDLPMWGURLAN-YFKPBYRVSA-N 0 0 212.661 2.069 10 30 BEEERN N#Cc1ccc(Cl)cc1-n1cccn1 ZINC000062790115 347023664 /nfs/dbraw/zinc/02/36/64/347023664.db2.gz FCMFNNGNWMMQOC-UHFFFAOYSA-N 0 0 203.632 2.397 10 30 BEEERN CCCCOCc1cc(C#CCO)ccc1OC ZINC000049621869 187356993 /nfs/dbraw/zinc/35/69/93/187356993.db2.gz PYHFFUHKDQHAOM-UHFFFAOYSA-N 0 0 248.322 2.356 10 30 BEEERN CC(C)COCCOc1ccc(C#CCO)cc1 ZINC000049620935 187357554 /nfs/dbraw/zinc/35/75/54/187357554.db2.gz JGPIVDNSRPNOHD-UHFFFAOYSA-N 0 0 248.322 2.082 10 30 BEEERN CCCCOCc1ccc(F)c(C#CCO)c1 ZINC000049621879 187357354 /nfs/dbraw/zinc/35/73/54/187357354.db2.gz SUZINLOGBSBTOX-UHFFFAOYSA-N 0 0 236.286 2.486 10 30 BEEERN C[C@H](O)C#Cc1nccc2sccc21 ZINC000585143835 344178846 /nfs/dbraw/zinc/17/88/46/344178846.db2.gz PHWJWJXHVOSHQS-QMMMGPOBSA-N 0 0 203.266 2.029 10 30 BEEERN C#Cc1cnn(Cc2ccccc2F)c1 ZINC000585143059 344176334 /nfs/dbraw/zinc/17/63/34/344176334.db2.gz XDUKSJZLYIKBMC-UHFFFAOYSA-N 0 0 200.216 2.052 10 30 BEEERN Cc1cc(Cl)ccc1C(=O)C(C#N)C#N ZINC000235796381 344133215 /nfs/dbraw/zinc/13/32/15/344133215.db2.gz VHLHOHCZIZTZPV-UHFFFAOYSA-N 0 0 218.643 2.494 10 30 BEEERN C#CCSCCNc1ccnc(C2CC2)n1 ZINC000131759742 344235169 /nfs/dbraw/zinc/23/51/69/344235169.db2.gz WCRMMCDIXPVDGM-UHFFFAOYSA-N 0 0 233.340 2.132 10 30 BEEERN COC(=O)C#Cc1cccc2ccsc21 ZINC000135337789 344192465 /nfs/dbraw/zinc/19/24/65/344192465.db2.gz DGOGYKZGJRBJLJ-UHFFFAOYSA-N 0 0 216.261 2.426 10 30 BEEERN C#CC(C)(C)OCc1ccc(Cl)nn1 ZINC000165953881 344247584 /nfs/dbraw/zinc/24/75/84/344247584.db2.gz RQXWCFWJAVOMDZ-UHFFFAOYSA-N 0 0 210.664 2.058 10 30 BEEERN CC[C@@H]1CSC(Nc2cccnc2)=N1 ZINC000011525757 344354856 /nfs/dbraw/zinc/35/48/56/344354856.db2.gz LXLCQEKCPVAGJH-MRVPVSSYSA-N 0 0 207.302 2.184 10 30 BEEERN CC1(C)Oc2cc(C#N)ccc2[C@@H]2O[C@@H]21 ZINC000098178835 187290500 /nfs/dbraw/zinc/29/05/00/187290500.db2.gz WFXHJLORJYMGHL-QWRGUYRKSA-N 0 0 201.225 2.169 10 30 BEEERN COC1=CC(=O)C2=C(C[C@H](C)[C@H](C)C2)C1=O ZINC000101452459 344422058 /nfs/dbraw/zinc/42/20/58/344422058.db2.gz KGRYRNSUDOMZRZ-SFYZADRCSA-N 0 0 220.268 2.031 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C#N ZINC000061889078 344424431 /nfs/dbraw/zinc/42/44/31/344424431.db2.gz OYINKCOTAVORFZ-IUCAKERBSA-N 0 0 210.277 2.203 10 30 BEEERN COC(=O)c1cc(Cl)c(F)cc1C#N ZINC000306672967 344385946 /nfs/dbraw/zinc/38/59/46/344385946.db2.gz BTALYANIYPWNNA-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN Nc1ncccc1C1=CC(=O)CCCC1 ZINC000230165342 344416924 /nfs/dbraw/zinc/41/69/24/344416924.db2.gz JKHGCRJLRCWOSW-UHFFFAOYSA-N 0 0 202.257 2.190 10 30 BEEERN Cc1nc(C)c(-c2cc(C#N)nc(C)n2)s1 ZINC000409440045 344462945 /nfs/dbraw/zinc/46/29/45/344462945.db2.gz VIIYZQZAFPHDMA-UHFFFAOYSA-N 0 0 230.296 2.397 10 30 BEEERN N#Cc1cc(Cc2ccccc2F)ncn1 ZINC000409436664 344463474 /nfs/dbraw/zinc/46/34/74/344463474.db2.gz RUARANFWRBRZCA-UHFFFAOYSA-N 0 0 213.215 2.078 10 30 BEEERN Cc1ccc(OC(F)(F)F)nc1CC#N ZINC000238463651 344477666 /nfs/dbraw/zinc/47/76/66/344477666.db2.gz LBYVVRREGKPSGX-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1nc(OC(F)(F)F)ccc1CC#N ZINC000238563390 344570905 /nfs/dbraw/zinc/57/09/05/344570905.db2.gz LDCCUOKHLLBXHW-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN N#CC1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000110383085 344553556 /nfs/dbraw/zinc/55/35/56/344553556.db2.gz MPVCLCKQXRNGGE-UHFFFAOYSA-N 0 0 228.299 2.094 10 30 BEEERN CN[C@]1(C#N)CCc2cc(Cl)ccc21 ZINC000127568829 344564328 /nfs/dbraw/zinc/56/43/28/344564328.db2.gz GOVUCMZYWXOAIW-NSHDSACASA-N 0 0 206.676 2.224 10 30 BEEERN CC(C)Cn1nc(C(F)(F)F)cc1C#N ZINC000259352798 344596197 /nfs/dbraw/zinc/59/61/97/344596197.db2.gz MRIUQSYIDMPIBL-UHFFFAOYSA-N 0 0 217.194 2.430 10 30 BEEERN N#CCc1cnc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000396123489 344609492 /nfs/dbraw/zinc/60/94/92/344609492.db2.gz WQRYVLSWFJQQFC-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN N#CCc1cc([N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000396123541 344609552 /nfs/dbraw/zinc/60/95/52/344609552.db2.gz WXORQSOTSFDYCT-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN COc1ccc(CC#N)nc1C(F)(F)F ZINC000396107498 344603283 /nfs/dbraw/zinc/60/32/83/344603283.db2.gz TXIHIAAJIRQZKL-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN COc1cc(C(F)(F)F)cnc1CC#N ZINC000396107302 344603434 /nfs/dbraw/zinc/60/34/34/344603434.db2.gz SEBVLACGGVMLQL-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1cc(C(F)(F)F)cnc1[N+](=O)[O-] ZINC000396119174 344608031 /nfs/dbraw/zinc/60/80/31/344608031.db2.gz JUTHZJAREIEUTD-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C=C[C@@H](NN)c1cc(Br)ccc1C ZINC000158426864 344649380 /nfs/dbraw/zinc/64/93/80/344649380.db2.gz ZVDHWOWWUZLGCD-SNVBAGLBSA-N 0 0 241.132 2.448 10 30 BEEERN N#Cc1c(-c2ccccc2)nn2cc[nH]c12 ZINC000259622430 344674297 /nfs/dbraw/zinc/67/42/97/344674297.db2.gz GUMJZXUCGUPKET-UHFFFAOYSA-N 0 0 208.224 2.201 10 30 BEEERN O=CC1(c2cncc(Br)c2)CC1 ZINC000221314127 344728500 /nfs/dbraw/zinc/72/85/00/344728500.db2.gz QWPQTVGJAANBFV-UHFFFAOYSA-N 0 0 226.073 2.075 10 30 BEEERN CN(C)/C=N/c1ccc(-c2ccccc2)nn1 ZINC000117004138 344739015 /nfs/dbraw/zinc/73/90/15/344739015.db2.gz LAQPZLSRCKSZGY-GXDHUFHOSA-N 0 0 226.283 2.365 10 30 BEEERN C#CCNCc1cc(Cl)cc(OC)c1OC ZINC000045945365 192075689 /nfs/dbraw/zinc/07/56/89/192075689.db2.gz SYQQNOVBHLLYNT-UHFFFAOYSA-N 0 0 239.702 2.080 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NC(=O)C1CCCC1 ZINC000259962430 344702260 /nfs/dbraw/zinc/70/22/60/344702260.db2.gz LRHWFANMAZWELJ-NEPJUHHUSA-N 0 0 220.316 2.375 10 30 BEEERN CS[C@H]1CC[C@H](NC2=CC(=O)CC2)C1 ZINC000235106210 344789495 /nfs/dbraw/zinc/78/94/95/344789495.db2.gz SASDKLHMXUPPHZ-ONGXEEELSA-N 0 0 211.330 2.107 10 30 BEEERN CC(C)[C@H]1CCCC[C@H]1OS(C)(=O)=O ZINC000166240348 344811020 /nfs/dbraw/zinc/81/10/20/344811020.db2.gz IJVZBMSIKSXOED-NXEZZACHSA-N 0 0 220.334 2.177 10 30 BEEERN C#C[C@@H](C)Oc1cc([N+](=O)[O-])cc(Cl)n1 ZINC000235253544 344861427 /nfs/dbraw/zinc/86/14/27/344861427.db2.gz UGPJXPPZUFXYOF-ZCFIWIBFSA-N 0 0 226.619 2.044 10 30 BEEERN CC#CCN1CC[C@H](C(=O)OC)c2ccccc21 ZINC000120539189 344893889 /nfs/dbraw/zinc/89/38/89/344893889.db2.gz XKDIOWBXLNZCLZ-ZDUSSCGKSA-N 0 0 243.306 2.177 10 30 BEEERN CCOc1cc(C#N)c(CC#N)cc1OCC ZINC000044369513 345041885 /nfs/dbraw/zinc/04/18/85/345041885.db2.gz LVQFHYCLVBGWGA-UHFFFAOYSA-N 0 0 230.267 2.422 10 30 BEEERN CCOc1cc(C#N)c(CC#N)cc1OC ZINC000044369508 345041976 /nfs/dbraw/zinc/04/19/76/345041976.db2.gz VSWLJBVRBLILTL-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN C=CCC1(C(=O)[O-])CC[NH+](C(C)C)CC1 ZINC000667644194 537887814 /nfs/dbraw/zinc/88/78/14/537887814.db2.gz UXIIFPIQRVFGIA-UHFFFAOYSA-N 0 0 211.305 2.138 10 30 BEEERN N#Cc1cccc(N)c1OC(F)(F)F ZINC000238619274 345092830 /nfs/dbraw/zinc/09/28/30/345092830.db2.gz PHXNLCWKIMHHPX-UHFFFAOYSA-N 0 0 202.135 2.039 10 30 BEEERN N#Cc1ccc(Cl)nc1OC(F)F ZINC000307167681 345101026 /nfs/dbraw/zinc/10/10/26/345101026.db2.gz SBTGBDNCRZJWMJ-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C=CCCCN(C)[C@@H](C(=O)OC)c1cccnc1 ZINC000126064836 345104860 /nfs/dbraw/zinc/10/48/60/345104860.db2.gz JRJNJZZWBRFHHR-CYBMUJFWSA-N 0 0 248.326 2.194 10 30 BEEERN N#Cc1ncc(OC(F)(F)F)cc1CF ZINC000238691516 345111018 /nfs/dbraw/zinc/11/10/18/345111018.db2.gz UGDUBTAIZQRUFR-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN C#CCC(=O)c1cc(N)cc(Br)c1 ZINC000226771022 345240657 /nfs/dbraw/zinc/24/06/57/345240657.db2.gz OHHBQGZUOAGVFK-UHFFFAOYSA-N 0 0 238.084 2.237 10 30 BEEERN CC[C@@H]1C[C@@](Br)(C#N)CCO1 ZINC000127681990 345213074 /nfs/dbraw/zinc/21/30/74/345213074.db2.gz ADWWTOPMZQVDFP-HTQZYQBOSA-N 0 0 218.094 2.233 10 30 BEEERN C=CCCCN(C)C(=O)c1snnc1CC ZINC000135113383 345432660 /nfs/dbraw/zinc/43/26/60/345432660.db2.gz JUXTXHHQTSMFMH-UHFFFAOYSA-N 0 0 239.344 2.139 10 30 BEEERN CC[C@](C)(C#N)C(=O)Nc1onc(C)c1C ZINC000136265851 345493943 /nfs/dbraw/zinc/49/39/43/345493943.db2.gz WLJJEEMVDXVEMB-LLVKDONJSA-N 0 0 221.260 2.170 10 30 BEEERN CC(C)(C#N)N1CCN(Cc2cccs2)CC1 ZINC000070139441 534999494 /nfs/dbraw/zinc/99/94/94/534999494.db2.gz LJEROSJQLOKXHX-UHFFFAOYSA-N 0 0 249.383 2.168 10 30 BEEERN C#CCS(=O)(=O)c1cccc(Cl)c1C ZINC000075491883 187359616 /nfs/dbraw/zinc/35/96/16/187359616.db2.gz ZHASFOCCALRDEI-UHFFFAOYSA-N 0 0 228.700 2.055 10 30 BEEERN COC(OC)c1cc(C)c(C#N)c(C)c1 ZINC000113208830 345753623 /nfs/dbraw/zinc/75/36/23/345753623.db2.gz DZKUOMDWZSFIDH-UHFFFAOYSA-N 0 0 205.257 2.467 10 30 BEEERN CC(C)(C)OC(=O)NCCCCS ZINC000138826194 345806739 /nfs/dbraw/zinc/80/67/39/345806739.db2.gz PQQDXPZRVKVGDZ-UHFFFAOYSA-N 0 0 205.323 2.221 10 30 BEEERN COc1ccc(C(=O)[C@H](C)C#N)cc1F ZINC000061669110 345808281 /nfs/dbraw/zinc/80/82/81/345808281.db2.gz WCIFHEDESXFETL-SSDOTTSWSA-N 0 0 207.204 2.177 10 30 BEEERN C#C[C@@](C)(O)Cc1ccc(Br)cc1 ZINC000235735009 345818325 /nfs/dbraw/zinc/81/83/25/345818325.db2.gz LXPUAWNSWPXBSE-LLVKDONJSA-N 0 0 239.112 2.376 10 30 BEEERN C=C(C)C(=O)OCCCCCCCCO ZINC000034181226 345818901 /nfs/dbraw/zinc/81/89/01/345818901.db2.gz YPMOAQISONSSNL-UHFFFAOYSA-N 0 0 214.305 2.439 10 30 BEEERN CC#CCNC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000135398072 345771768 /nfs/dbraw/zinc/77/17/68/345771768.db2.gz BCXAPUJPKQUCNC-RISCZKNCSA-N 0 0 242.322 2.242 10 30 BEEERN C/C=C(\C(=O)OCC)C(=O)c1ccccc1 ZINC000149187530 345821121 /nfs/dbraw/zinc/82/11/21/345821121.db2.gz WHFSFPOUNXRDES-JYOAFUTRSA-N 0 0 218.252 2.379 10 30 BEEERN N#Cc1ccc(-c2ccncc2N)s1 ZINC000166764909 345785005 /nfs/dbraw/zinc/78/50/05/345785005.db2.gz QYIPWGIMPSQRRS-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN COc1cccc(NC(=O)/N=C2/CCCN2C)c1 ZINC000137136812 345801572 /nfs/dbraw/zinc/80/15/72/345801572.db2.gz BVPKBYWSGUFDLG-QINSGFPZSA-N 0 0 247.298 2.351 10 30 BEEERN C#Cc1ccc2c(c1)[C@@](C)(COC)CCO2 ZINC000140678908 345856878 /nfs/dbraw/zinc/85/68/78/345856878.db2.gz WYOZOOHMOLFSDJ-CQSZACIVSA-N 0 0 216.280 2.355 10 30 BEEERN CC(C)CN=C(NC#N)Oc1ccccc1 ZINC000140757336 345856945 /nfs/dbraw/zinc/85/69/45/345856945.db2.gz CJMZIEQODVOSIG-UHFFFAOYSA-N 0 0 217.272 2.148 10 30 BEEERN COc1ccc([C@@H](O)C#Cc2cccnc2)cc1 ZINC000034409467 345827014 /nfs/dbraw/zinc/82/70/14/345827014.db2.gz BEGDHVSBKLVYDA-HNNXBMFYSA-N 0 0 239.274 2.175 10 30 BEEERN C=C(C)[C@@H]1Cc2cc(O)c(C(C)=O)cc2O1 ZINC000014883251 290762294 /nfs/dbraw/zinc/76/22/94/290762294.db2.gz JYAXBEAUMFLFQK-LBPRGKRZSA-N 0 0 218.252 2.474 10 30 biogenic,in-vitro BEEERN C=C[C@H]1CC(=O)C=CN1C(=O)OC(C)(C)C ZINC000143250587 345896776 /nfs/dbraw/zinc/89/67/76/345896776.db2.gz MHDOIMODFMOZRP-VIFPVBQESA-N 0 0 223.272 2.265 10 30 BEEERN N#CCc1csc(-c2cccnc2)n1 ZINC000061798167 345949683 /nfs/dbraw/zinc/94/96/83/345949683.db2.gz MLNGJBMMTYPNLK-UHFFFAOYSA-N 0 0 201.254 2.271 10 30 BEEERN CCC[C@H](C#N)NC(=O)[C@@H]1CCC[C@H]1C ZINC000300240097 346001990 /nfs/dbraw/zinc/00/19/90/346001990.db2.gz IADIBBZPDOEUDA-GMTAPVOTSA-N 0 0 208.305 2.231 10 30 BEEERN CC#C[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000005480698 187363474 /nfs/dbraw/zinc/36/34/74/187363474.db2.gz ZQOHLPGLWTZXDM-CYBMUJFWSA-N 0 0 213.280 2.201 10 30 BEEERN O=C(N[C@@H]1CCCNC1=O)[C@H]1C[C@@H]1C1CC1 ZINC000328765996 537939404 /nfs/dbraw/zinc/93/94/04/537939404.db2.gz GYUMRUKTTXTAHJ-KXUCPTDWSA-N 0 0 222.288 2.108 10 30 BEEERN N#Cc1ccnc(Sc2ccccn2)c1 ZINC000019846608 187314340 /nfs/dbraw/zinc/31/43/40/187314340.db2.gz CCWSZDKRDPEXIB-UHFFFAOYSA-N 0 0 213.265 2.499 10 30 BEEERN CCOc1cc(C#N)c(F)c(OCC)c1 ZINC000148403769 346086521 /nfs/dbraw/zinc/08/65/21/346086521.db2.gz GHYQMUKVAHCKNX-UHFFFAOYSA-N 0 0 209.220 2.495 10 30 BEEERN O=C(/C=N/[O-])Nc1ccc2sccc2c1 ZINC000149959414 346165559 /nfs/dbraw/zinc/16/55/59/346165559.db2.gz OLUZCCRMSQLIJQ-IZZDOVSWSA-N 0 0 220.253 2.300 10 30 BEEERN N#Cc1ccncc1Sc1ncco1 ZINC000236202994 346209796 /nfs/dbraw/zinc/20/97/96/346209796.db2.gz BKNWGLLBKLSHJQ-UHFFFAOYSA-N 0 0 203.226 2.092 10 30 BEEERN C#CCCC(=O)Nc1ncnc(Cl)c1Cl ZINC000236068063 346187569 /nfs/dbraw/zinc/18/75/69/346187569.db2.gz BHALKDAXYGFLPY-UHFFFAOYSA-N 0 0 244.081 2.135 10 30 BEEERN Cn1ccnc1CC(=O)C1=CCCCC1 ZINC000236068218 346187833 /nfs/dbraw/zinc/18/78/33/346187833.db2.gz AXXOVMDGLRLKOR-UHFFFAOYSA-N 0 0 204.273 2.032 10 30 BEEERN N#C[C@@H](Cn1cc(Cl)cn1)C(F)(F)F ZINC000236137164 346197225 /nfs/dbraw/zinc/19/72/25/346197225.db2.gz KGTFWLNDKSTALX-YFKPBYRVSA-N 0 0 223.585 2.239 10 30 BEEERN C#CCOc1cc(F)c(Br)cc1N ZINC000236326993 346226094 /nfs/dbraw/zinc/22/60/94/346226094.db2.gz PJCKTKLLRJBGJF-UHFFFAOYSA-N 0 0 244.063 2.182 10 30 BEEERN OCCC#Cc1cccc(Br)c1F ZINC000236478786 346243279 /nfs/dbraw/zinc/24/32/79/346243279.db2.gz JYLCZODIWFLGND-UHFFFAOYSA-N 0 0 243.075 2.322 10 30 BEEERN C#CCC[C@@H](O)c1ccoc1Br ZINC000236536782 346247731 /nfs/dbraw/zinc/24/77/31/346247731.db2.gz PUBXRDIYDMIGSY-MRVPVSSYSA-N 0 0 229.073 2.489 10 30 BEEERN Cc1nnc(S[C@H]2CCC[C@@H]2C#N)o1 ZINC000051038096 346298680 /nfs/dbraw/zinc/29/86/80/346298680.db2.gz FGFYHFUJCFHFGG-SFYZADRCSA-N 0 0 209.274 2.162 10 30 BEEERN CNC(=S)[C@]1(c2ccccn2)CCCO1 ZINC000026734732 187319478 /nfs/dbraw/zinc/31/94/78/187319478.db2.gz QGNOTTIQUOVMCT-LLVKDONJSA-N 0 0 222.313 2.045 10 30 BEEERN O=C(N[C@@H]1CCCSC1)[C@@H]1CCCC(=O)N1 ZINC000328814677 537968133 /nfs/dbraw/zinc/96/81/33/537968133.db2.gz GJMDFIUUJFKHQG-BDAKNGLRSA-N 0 0 242.344 2.348 10 30 BEEERN O=CC[C@@H](O)c1cccc(Br)c1 ZINC000159365495 346419067 /nfs/dbraw/zinc/41/90/67/346419067.db2.gz YRUSONIAEQXKGX-SECBINFHSA-N 0 0 229.073 2.072 10 30 BEEERN C[C@@H](CC#N)N(C)C(=O)[C@H]1CCC[C@H]1C ZINC000300240765 346424114 /nfs/dbraw/zinc/42/41/14/346424114.db2.gz WKDOTHZPAIODSD-VWYCJHECSA-N 0 0 208.305 2.183 10 30 BEEERN Cc1coc(-c2sc(C#N)nc2C)n1 ZINC000669379500 537979381 /nfs/dbraw/zinc/97/93/81/537979381.db2.gz DGTNHKCSNWBXHE-UHFFFAOYSA-N 0 0 205.242 2.287 10 30 BEEERN C=CC[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000148296938 346500278 /nfs/dbraw/zinc/50/02/78/346500278.db2.gz GDYFBOMUZUSZTO-ZJUUUORDSA-N 0 0 202.319 2.166 10 30 BEEERN C[C@@H]1C[C@H](OS(C)(=O)=O)CC(C)(C)C1 ZINC000163977285 346584997 /nfs/dbraw/zinc/58/49/97/346584997.db2.gz FUUVWDWLUGXHNY-BDAKNGLRSA-N 0 0 220.334 2.177 10 30 BEEERN C[C@@](O)(CC=O)c1cc(F)ccc1Cl ZINC000164363761 346602425 /nfs/dbraw/zinc/60/24/25/346602425.db2.gz GSGRMTUUABNRHE-SNVBAGLBSA-N 0 0 216.639 2.276 10 30 BEEERN CCC(C#N)(CC)C(=O)Nc1ccc(=O)[nH]c1 ZINC000310445129 323131950 /nfs/dbraw/zinc/13/19/50/323131950.db2.gz WURJQEZSJPOXDQ-UHFFFAOYSA-N 0 0 233.271 2.056 10 30 BEEERN Cc1ncccc1CN[C@@H]1CCC[C@H]1C#N ZINC000309836555 347183698 /nfs/dbraw/zinc/18/36/98/347183698.db2.gz BJARLADFOGDJCB-WCQYABFASA-N 0 0 215.300 2.172 10 30 BEEERN C[C@H](C#N)CN(C)C(=O)[C@@H]1CCC[C@H]1C ZINC000300240099 136731387 /nfs/dbraw/zinc/73/13/87/136731387.db2.gz IBBBOPXKNIFPDA-GMTAPVOTSA-N 0 0 208.305 2.041 10 30 BEEERN Cc1ccccc1-c1nnc(C#N)s1 ZINC000075601939 179240431 /nfs/dbraw/zinc/24/04/31/179240431.db2.gz FZWHCZKAYIHQFI-UHFFFAOYSA-N 0 0 201.254 2.385 10 30 BEEERN Cc1ccccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061889180 179252181 /nfs/dbraw/zinc/25/21/81/179252181.db2.gz AFYMRLOYEZGVST-YPMHNXCESA-N 0 0 228.295 2.417 10 30 BEEERN CCN(C[C@@H](C)C#N)C(=O)c1cccc(F)c1N ZINC000054211704 1172092851 /nfs/dbraw/zinc/09/28/51/1172092851.db2.gz GTXFSCMKTZBZAA-VIFPVBQESA-N 0 0 249.289 2.030 10 30 BEEERN CC1(C)CCN(C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000334535171 133690049 /nfs/dbraw/zinc/69/00/49/133690049.db2.gz IWGKUSBWRSLNDE-QWRGUYRKSA-N 0 0 235.331 2.120 10 30 BEEERN C[Si](C)(C)C#Cc1ccccc1CO ZINC000195896071 347706173 /nfs/dbraw/zinc/70/61/73/347706173.db2.gz SCLYRKPAXPMUTF-UHFFFAOYSA-N 0 0 204.345 2.408 10 30 BEEERN Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)c(C#N)cn1 ZINC000591990607 347721008 /nfs/dbraw/zinc/72/10/08/347721008.db2.gz KGOOIUNYLXIIFZ-CYZMBNFOSA-N 0 0 227.311 2.284 10 30 BEEERN C=C(C)C(=O)NCCCc1ccccc1 ZINC000196149657 347810529 /nfs/dbraw/zinc/81/05/29/347810529.db2.gz OYZRERWEIUGUFN-UHFFFAOYSA-N 0 0 203.285 2.312 10 30 BEEERN C[Si](C)(C)C#CCCCCOS(C)(=O)=O ZINC000196328843 347868007 /nfs/dbraw/zinc/86/80/07/347868007.db2.gz USUDCUJMMXDMBN-UHFFFAOYSA-N 0 0 248.420 2.014 10 30 BEEERN N#C[C@H]1CCCC[C@H]1N1CCSCC1 ZINC000037146699 348023867 /nfs/dbraw/zinc/02/38/67/348023867.db2.gz PYMIGPRWIUXLFW-GHMZBOCLSA-N 0 0 210.346 2.118 10 30 BEEERN Cc1ccccc1[C@H](C#N)NC[C@@H]1CCCO1 ZINC000037940037 179332787 /nfs/dbraw/zinc/33/27/87/179332787.db2.gz LTALABXGRDGUNO-JSGCOSHPSA-N 0 0 230.311 2.328 10 30 BEEERN COc1cncc(CN[C@@H]2CCCC[C@H]2C#N)c1 ZINC000595687709 348313045 /nfs/dbraw/zinc/31/30/45/348313045.db2.gz DCRVQJSHCVXQQB-GXTWGEPZSA-N 0 0 245.326 2.262 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)NCC1=CCCCC1 ZINC000333594052 538001993 /nfs/dbraw/zinc/00/19/93/538001993.db2.gz LNLWQDCFTRFEFE-OLZOCXBDSA-N 0 0 247.342 2.478 10 30 BEEERN CC(C)(C)[S@](=O)/N=C/c1ncccc1F ZINC000205242558 348473826 /nfs/dbraw/zinc/47/38/26/348473826.db2.gz KANGWGJLFQRLOW-COSNYCCFSA-N 0 0 228.292 2.102 10 30 BEEERN Cc1ccsc1[C@@H](C#N)NC[C@H]1CCCO1 ZINC000041673395 179552568 /nfs/dbraw/zinc/55/25/68/179552568.db2.gz MZWZMSKSAGXAQT-GHMZBOCLSA-N 0 0 236.340 2.390 10 30 BEEERN CC(C)N(C(=O)OCCCC=O)C(C)C ZINC000205837512 348596328 /nfs/dbraw/zinc/59/63/28/348596328.db2.gz HXERGMACJQDJQN-UHFFFAOYSA-N 0 0 215.293 2.221 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)c(C=O)c1 ZINC000616575959 349094734 /nfs/dbraw/zinc/09/47/34/349094734.db2.gz KQYPZJMKAFFWFY-UHFFFAOYSA-N 0 0 229.157 2.464 10 30 BEEERN N#Cc1cc(NCC(F)F)ccc1F ZINC000051636847 350002255 /nfs/dbraw/zinc/00/22/55/350002255.db2.gz LCRBNYNZCAUEPH-UHFFFAOYSA-N 0 0 200.163 2.374 10 30 BEEERN CCOC(C#C[C@H]1CCCCC1=O)OCC ZINC000725254155 538042964 /nfs/dbraw/zinc/04/29/64/538042964.db2.gz OGYIOQXBCJVVTR-LLVKDONJSA-N 0 0 224.300 2.148 10 30 BEEERN Cc1nc(C)c([C@@H](C)N[C@H](C)C#N)s1 ZINC000043515267 179919299 /nfs/dbraw/zinc/91/92/99/179919299.db2.gz OEYXIXGUJODAEP-RNFRBKRXSA-N 0 0 209.318 2.323 10 30 BEEERN CCN(CCO)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000213065914 349423625 /nfs/dbraw/zinc/42/36/25/349423625.db2.gz TTXVZKDWYCIGFV-LBPRGKRZSA-N 0 0 238.718 2.219 10 30 BEEERN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C#N ZINC000068592078 191002374 /nfs/dbraw/zinc/00/23/74/191002374.db2.gz DFZYOAIWAGMKET-RKDXNWHRSA-N 0 0 240.303 2.270 10 30 BEEERN Cc1nc([C@H]2CCCO2)sc1CC#N ZINC000082420674 180057018 /nfs/dbraw/zinc/05/70/18/180057018.db2.gz FJVHJIROWNJBOM-MRVPVSSYSA-N 0 0 208.286 2.369 10 30 BEEERN O=CC[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000159413184 350123187 /nfs/dbraw/zinc/12/31/87/350123187.db2.gz MLXJBKCTJZPREP-SECBINFHSA-N 0 0 202.612 2.102 10 30 BEEERN CCOC(=O)/C(=C/c1ccc(C)cc1)[N+](=O)[O-] ZINC000219978376 350153890 /nfs/dbraw/zinc/15/38/90/350153890.db2.gz IXNWOCWKUFXTMM-FLIBITNWSA-N 0 0 235.239 2.176 10 30 BEEERN COC(=O)CSc1cccc(Cl)c1C#N ZINC000048935847 350176574 /nfs/dbraw/zinc/17/65/74/350176574.db2.gz VLOAAMRYMHHRFM-UHFFFAOYSA-N 0 0 241.699 2.477 10 30 BEEERN O=C(/C=C/c1ccc(O)cc1O)c1ccccn1 ZINC000220644770 350180124 /nfs/dbraw/zinc/18/01/24/350180124.db2.gz RESGIHNWNDBJRU-FNORWQNLSA-N 0 0 241.246 2.389 10 30 BEEERN CC1=C2CCc3cc(O)ccc3N2CCC1=O ZINC000220836084 350188349 /nfs/dbraw/zinc/18/83/49/350188349.db2.gz FFAQXLJVEGGTEG-UHFFFAOYSA-N 0 0 229.279 2.392 10 30 BEEERN C=CCN(C)c1ncc(N)cc1Br ZINC000077389587 166323286 /nfs/dbraw/zinc/32/32/86/166323286.db2.gz IRRHRCXNVMSCGS-UHFFFAOYSA-N 0 0 242.120 2.049 10 30 BEEERN CSCC[C@H](C#N)NCc1ccccc1 ZINC000037939497 350292561 /nfs/dbraw/zinc/29/25/61/350292561.db2.gz DIKVAIQLQPPZMH-GFCCVEGCSA-N 0 0 220.341 2.421 10 30 BEEERN CC[C@](C)(C#N)NC(=O)Cc1ccccc1 ZINC000040357869 350359673 /nfs/dbraw/zinc/35/96/73/350359673.db2.gz JYPJQZUAJWUJOV-CYBMUJFWSA-N 0 0 216.284 2.038 10 30 BEEERN C=CCN(C)c1ccccc1C(=O)OC ZINC000049854567 166325190 /nfs/dbraw/zinc/32/51/90/166325190.db2.gz VUGGHZYCTPVMDS-UHFFFAOYSA-N 0 0 205.257 2.095 10 30 BEEERN Cc1nn(C)c(N(C)Cc2ccoc2C)c1C#N ZINC000104309584 180352742 /nfs/dbraw/zinc/35/27/42/180352742.db2.gz BPKAJQTYFPLXOQ-UHFFFAOYSA-N 0 0 244.298 2.138 10 30 BEEERN CN(CCC#N)c1cc(C#N)c2ccccc2n1 ZINC000111838352 350411192 /nfs/dbraw/zinc/41/11/92/350411192.db2.gz VYAIHNATINVYES-UHFFFAOYSA-N 0 0 236.278 2.456 10 30 BEEERN Cc1nn(C)c(NCc2cccs2)c1C#N ZINC000082583607 180358067 /nfs/dbraw/zinc/35/80/67/180358067.db2.gz NCGCQINBJLOZIS-UHFFFAOYSA-N 0 0 232.312 2.274 10 30 BEEERN Cc1nn(C)c(NC(C2CC2)C2CC2)c1C#N ZINC000104426610 180358194 /nfs/dbraw/zinc/35/81/94/180358194.db2.gz PHJYLLGKAJMNHS-UHFFFAOYSA-N 0 0 230.315 2.201 10 30 BEEERN CCC1(C)CC[NH+](C2CC(C#CC(=O)[O-])C2)CC1 ZINC000725265173 538091620 /nfs/dbraw/zinc/09/16/20/538091620.db2.gz LPAYUTQTPDPDLE-UHFFFAOYSA-N 0 0 249.354 2.365 10 30 BEEERN CO[C@](C=O)(c1ccccc1)C(F)(F)F ZINC000034349433 350467004 /nfs/dbraw/zinc/46/70/04/350467004.db2.gz UICQTAXBNAAHHX-SECBINFHSA-N 0 0 218.174 2.290 10 30 BEEERN CC(C)c1cc(-c2cccnc2)nn1CC=O ZINC000409441316 350482212 /nfs/dbraw/zinc/48/22/12/350482212.db2.gz QXRQUFGJRXOWGK-UHFFFAOYSA-N 0 0 229.283 2.267 10 30 BEEERN CC(C)[C@@H]1CCC[C@@H](OS(C)(=O)=O)C1 ZINC000231006221 350611625 /nfs/dbraw/zinc/61/16/25/350611625.db2.gz NFOYKBJQQLVQFZ-NXEZZACHSA-N 0 0 220.334 2.177 10 30 BEEERN C#CCOc1ccnc(Br)c1C ZINC000306694311 350846656 /nfs/dbraw/zinc/84/66/56/350846656.db2.gz UQHPFIFSERPQBG-UHFFFAOYSA-N 0 0 226.073 2.165 10 30 BEEERN N#CC#Cc1cccc(Br)c1 ZINC000106885924 350854957 /nfs/dbraw/zinc/85/49/57/350854957.db2.gz IRTOWBXEXVMWKB-UHFFFAOYSA-N 0 0 206.042 2.324 10 30 BEEERN CC[C@@H]1C[C@@H]1Nc1nc(C)ccc1C#N ZINC000231629797 350940498 /nfs/dbraw/zinc/94/04/98/350940498.db2.gz AZJDKYCJYRWSGF-KOLCDFICSA-N 0 0 201.273 2.472 10 30 BEEERN C=C(CS)Cn1c(C)c(C)sc1=O ZINC000231635140 350984958 /nfs/dbraw/zinc/98/49/58/350984958.db2.gz LAURITIXODCCPN-UHFFFAOYSA-N 0 0 215.343 2.013 10 30 BEEERN Cc1nocc1CN[C@H]1CCCC[C@H]1C#N ZINC000397880651 350986009 /nfs/dbraw/zinc/98/60/09/350986009.db2.gz MLIJLKSZDQBJQJ-JQWIXIFHSA-N 0 0 219.288 2.155 10 30 BEEERN Cc1csc([C@@H](C#N)N2CCCC2)n1 ZINC000159603947 350949484 /nfs/dbraw/zinc/94/94/84/350949484.db2.gz WIXCQJBQFGMYFZ-SECBINFHSA-N 0 0 207.302 2.112 10 30 BEEERN CC(=O)N1CCC[C@H](c2ccccc2C#N)C1 ZINC000616621529 351043384 /nfs/dbraw/zinc/04/33/84/351043384.db2.gz RDYPQQNGBPZRKK-ZDUSSCGKSA-N 0 0 228.295 2.284 10 30 BEEERN C[C@@]1(COc2cc(Cl)ccc2C#N)CO1 ZINC000306805649 351056787 /nfs/dbraw/zinc/05/67/87/351056787.db2.gz ICCHJPZWFODJID-LLVKDONJSA-N 0 0 223.659 2.379 10 30 BEEERN C[C@]1(COc2cc(Cl)ccc2C#N)CO1 ZINC000306805654 351056825 /nfs/dbraw/zinc/05/68/25/351056825.db2.gz ICCHJPZWFODJID-NSHDSACASA-N 0 0 223.659 2.379 10 30 BEEERN CC(C)CC(=O)N[C@H]1CCCC[C@H]1C#N ZINC000260115810 351072244 /nfs/dbraw/zinc/07/22/44/351072244.db2.gz RFOUPEVBNGDTGJ-QWRGUYRKSA-N 0 0 208.305 2.231 10 30 BEEERN CC(C)N1CCOC[C@H]1c1cccc(C#N)c1 ZINC000616641158 351147700 /nfs/dbraw/zinc/14/77/00/351147700.db2.gz BWGYSUGKDZJVRU-AWEZNQCLSA-N 0 0 230.311 2.340 10 30 BEEERN COc1ccccc1C(=O)C1=CCCO1 ZINC000168080045 351287338 /nfs/dbraw/zinc/28/73/38/351287338.db2.gz AGHVADMFSFYFTB-UHFFFAOYSA-N 0 0 204.225 2.182 10 30 BEEERN N#Cc1cc(Cl)cc(OC(F)F)n1 ZINC000306899302 351309862 /nfs/dbraw/zinc/30/98/62/351309862.db2.gz ZWNZQAXEYYJLHY-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C#C[C@H](O)c1ccc(OC)cc1Br ZINC000306990438 351406552 /nfs/dbraw/zinc/40/65/52/351406552.db2.gz TYJRPOZYVIRNQD-JTQLQIEISA-N 0 0 241.084 2.124 10 30 BEEERN COC(=O)c1cc(Cl)cc(C)c1C#N ZINC000306978445 351397472 /nfs/dbraw/zinc/39/74/72/351397472.db2.gz CBOYDCYODYVSAF-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN CSC[C@@H]1CCCN(C2=CC(=O)CC2)C1 ZINC000306981700 351398838 /nfs/dbraw/zinc/39/88/38/351398838.db2.gz QKXZFFFKOCCIPS-SNVBAGLBSA-N 0 0 225.357 2.308 10 30 BEEERN COC(=O)c1cc(C)c(Cl)c(C#N)c1 ZINC000307074808 351464903 /nfs/dbraw/zinc/46/49/03/351464903.db2.gz KCXZFBXDXALXHW-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C#C[C@H](C)Nc1ncc2ccsc2n1 ZINC000307114518 351486470 /nfs/dbraw/zinc/48/64/70/351486470.db2.gz SKHJLPHCOCJPMB-ZETCQYMHSA-N 0 0 203.270 2.125 10 30 BEEERN C#CC[C@@H](C)NC(=O)OCc1ccccc1 ZINC000307198029 351598836 /nfs/dbraw/zinc/59/88/36/351598836.db2.gz TZHVAOZMVVZEJG-LLVKDONJSA-N 0 0 217.268 2.325 10 30 BEEERN CCOC(=O)C1(C=O)CC(CC(C)C)C1 ZINC000606302282 351553560 /nfs/dbraw/zinc/55/35/60/351553560.db2.gz KJRVLNWIKFRURH-UHFFFAOYSA-N 0 0 212.289 2.191 10 30 BEEERN C#Cc1ccc(Oc2ccc(N)cc2)nc1 ZINC000606302559 351553613 /nfs/dbraw/zinc/55/36/13/351553613.db2.gz PJBXLGYZVOAPAD-UHFFFAOYSA-N 0 0 210.236 2.437 10 30 BEEERN COC(=O)c1c(Cl)ccc(C)c1C#N ZINC000307273855 351828457 /nfs/dbraw/zinc/82/84/57/351828457.db2.gz XLZBYHSEILIZPY-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C=C[C@H](O)c1ccc(N)cc1Br ZINC000307289801 351858070 /nfs/dbraw/zinc/85/80/70/351858070.db2.gz ZJFOPDBKJKJLHK-VIFPVBQESA-N 0 0 228.089 2.251 10 30 BEEERN N#Cc1cc(OC(F)F)cnc1Cl ZINC000307308068 351948466 /nfs/dbraw/zinc/94/84/66/351948466.db2.gz DVASSUPREISGDT-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C#CCNC(=O)Nc1csc(Cl)c1 ZINC000307296771 351906072 /nfs/dbraw/zinc/90/60/72/351906072.db2.gz RAOAAUORESYQBS-UHFFFAOYSA-N 0 0 214.677 2.156 10 30 BEEERN N#CCCN(c1ccc(F)cc1N)C1CC1 ZINC000042531245 187603664 /nfs/dbraw/zinc/60/36/64/187603664.db2.gz AYWICHAHZPMHMI-UHFFFAOYSA-N 0 0 219.263 2.290 10 30 BEEERN N#C[C@@H](NCC(F)(F)F)[C@@H]1CC=CCC1 ZINC000037971116 187591489 /nfs/dbraw/zinc/59/14/89/187591489.db2.gz KMLOPAKZSMOKLW-RKDXNWHRSA-N 0 0 218.222 2.387 10 30 BEEERN CCC[C@H](C#N)C(=O)Nc1cnn(C(C)C)c1 ZINC000061683766 187613421 /nfs/dbraw/zinc/61/34/21/187613421.db2.gz KTYOIHTWYZQDGB-SNVBAGLBSA-N 0 0 234.303 2.342 10 30 BEEERN O=C[C@](O)(c1ccccc1)C1CCCC1 ZINC000217781880 363128957 /nfs/dbraw/zinc/12/89/57/363128957.db2.gz OJRCNZGGFXQNAK-ZDUSSCGKSA-N 0 0 204.269 2.263 10 30 BEEERN CCC[C@@H](C#N)C(=O)N(C)[C@H](C)C(C)C ZINC000044823286 187633727 /nfs/dbraw/zinc/63/37/27/187633727.db2.gz AUWGHEJNAYAVTH-MNOVXSKESA-N 0 0 210.321 2.429 10 30 BEEERN CC1(C)C[C@@H]1Nc1ccc(C#N)cc1N ZINC000045118025 187634214 /nfs/dbraw/zinc/63/42/14/187634214.db2.gz QPYCMHCXEKMRHE-NSHDSACASA-N 0 0 201.273 2.351 10 30 BEEERN N#Cc1ncc(F)c2c(Br)c[nH]c21 ZINC000044713283 352384330 /nfs/dbraw/zinc/38/43/30/352384330.db2.gz UFIAQWXDEIVDEK-UHFFFAOYSA-N 0 0 240.035 2.336 10 30 BEEERN C=C(CCc1ccccc1)C(=O)n1ccoc1=O ZINC000098178451 187710713 /nfs/dbraw/zinc/71/07/13/187710713.db2.gz MOPFJOSUGYHLPB-UHFFFAOYSA-N 0 0 243.262 2.271 10 30 BEEERN CC[C@@H](C#N)C(=O)NCCC1CCCC1 ZINC000044823805 352435432 /nfs/dbraw/zinc/43/54/32/352435432.db2.gz WMBJITBMBNWKEG-NSHDSACASA-N 0 0 208.305 2.233 10 30 BEEERN C=C[C@@H]([C@@H](O)C(C)C)n1nnc2ccccc21 ZINC000005633380 187711672 /nfs/dbraw/zinc/71/16/72/187711672.db2.gz LSUIFBXNSAGFRG-AAEUAGOBSA-N 0 0 231.299 2.175 10 30 BEEERN CO[C@@H](CCC#N)c1cccc(CO)c1 ZINC000498036541 352570074 /nfs/dbraw/zinc/57/00/74/352570074.db2.gz IACBJGGHVRIRAL-LBPRGKRZSA-N 0 0 205.257 2.170 10 30 BEEERN N#Cc1ccc(-c2cncc(N)c2)s1 ZINC000300988273 352581803 /nfs/dbraw/zinc/58/18/03/352581803.db2.gz TTZXXBBAPUSXPR-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN C[C@H]1CCC[C@H](NC(=O)C#CBr)C1 ZINC000307530808 352638530 /nfs/dbraw/zinc/63/85/30/352638530.db2.gz RVLPSWJWWGPSHN-IUCAKERBSA-N 0 0 244.132 2.037 10 30 BEEERN C[C@@H](C#N)CNc1nc(Br)cs1 ZINC000307582218 352659946 /nfs/dbraw/zinc/65/99/46/352659946.db2.gz UJNHMXJRNKBSPL-YFKPBYRVSA-N 0 0 246.133 2.477 10 30 BEEERN C=C[C@H](NN)c1cscc1Br ZINC000405002978 352665278 /nfs/dbraw/zinc/66/52/78/352665278.db2.gz IRESLADJVXYYMI-ZETCQYMHSA-N 0 0 233.134 2.201 10 30 BEEERN N#C[C@H]1OC12CCC(C(F)(F)F)CC2 ZINC000307613811 352670741 /nfs/dbraw/zinc/67/07/41/352670741.db2.gz NBAFBFQSIRSBTN-ZUEIMRROSA-N 0 0 205.179 2.400 10 30 BEEERN CC(C)OCCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000336745478 352730939 /nfs/dbraw/zinc/73/09/39/352730939.db2.gz BDCPWTMOZWEOBU-NEPJUHHUSA-N 0 0 210.321 2.083 10 30 BEEERN N#CCc1cncc(F)c1C(F)(F)F ZINC000307666428 352748342 /nfs/dbraw/zinc/74/83/42/352748342.db2.gz DBNIUNJNAFWHKF-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN Cc1csc(CC(=O)C2=COCCC2)n1 ZINC000160012183 352980796 /nfs/dbraw/zinc/98/07/96/352980796.db2.gz KQQFAAGZUQIHER-UHFFFAOYSA-N 0 0 223.297 2.257 10 30 BEEERN COc1ccc([C@H](C#N)N2CCCCC2)cc1O ZINC000037356944 187939936 /nfs/dbraw/zinc/93/99/36/187939936.db2.gz GNVZTHKHAYFKEV-LBPRGKRZSA-N 0 0 246.310 2.451 10 30 BEEERN COc1ccc([C@@H](C#N)NC2CC2)cc1C ZINC000050596984 187953210 /nfs/dbraw/zinc/95/32/10/187953210.db2.gz CYTRNIWZFBMTCR-GFCCVEGCSA-N 0 0 216.284 2.320 10 30 BEEERN C#CC(C)(C)NC(=O)C1=CC(=S)CS1 ZINC000232530577 353112286 /nfs/dbraw/zinc/11/22/86/353112286.db2.gz PWENPTYNTCVKMB-UHFFFAOYSA-N 0 0 225.338 2.178 10 30 BEEERN O=CC1(Cc2ncccc2Br)CC1 ZINC000307637086 353089844 /nfs/dbraw/zinc/08/98/44/353089844.db2.gz VUVOHIJPQHGKMJ-UHFFFAOYSA-N 0 0 240.100 2.366 10 30 BEEERN O=C(c1ccncc1F)C1=COCCC1 ZINC000160029191 353100840 /nfs/dbraw/zinc/10/08/40/353100840.db2.gz HIBNGIAACCONHI-UHFFFAOYSA-N 0 0 207.204 2.098 10 30 BEEERN N#CCCCc1cc2c(cc1O)CCO2 ZINC000025973780 188009154 /nfs/dbraw/zinc/00/91/54/188009154.db2.gz WPQUHBYIOOQKNT-UHFFFAOYSA-N 0 0 203.241 2.173 10 30 BEEERN Cc1cc(I)ccc1C#N ZINC000222902376 188009315 /nfs/dbraw/zinc/00/93/15/188009315.db2.gz CXBFQRKOQRBRGN-UHFFFAOYSA-N 0 0 243.047 2.471 10 30 BEEERN C#CCCNc1c(Cl)nsc1C#N ZINC000307751611 353127885 /nfs/dbraw/zinc/12/78/85/353127885.db2.gz OQLBAUVEHWEMBK-UHFFFAOYSA-N 0 0 211.677 2.103 10 30 BEEERN N#Cc1ccc2c(c1C(F)(F)F)OCCO2 ZINC000261229111 188020138 /nfs/dbraw/zinc/02/01/38/188020138.db2.gz YVQHXKFJAMYRSN-UHFFFAOYSA-N 0 0 229.157 2.348 10 30 BEEERN CSc1cccc(Cl)c1/C(N)=N/O ZINC000052908118 353131772 /nfs/dbraw/zinc/13/17/72/353131772.db2.gz LCZQKYFNZZHVEL-UHFFFAOYSA-N 0 0 216.693 2.156 10 30 BEEERN CC(C)[C@@H]1OCC[C@H]1CNc1ccc(C#N)cn1 ZINC000267182479 188022586 /nfs/dbraw/zinc/02/25/86/188022586.db2.gz FTRFXPCFCCETKQ-JSGCOSHPSA-N 0 0 245.326 2.426 10 30 BEEERN C=CCn1nc2ccc(OCC)cc2n1 ZINC000039099236 188042812 /nfs/dbraw/zinc/04/28/12/188042812.db2.gz KPMQCZXFSVHYJJ-UHFFFAOYSA-N 0 0 203.245 2.016 10 30 BEEERN N#C[C@]1(C[C@H](O)C(F)(F)F)CCCS1 ZINC000307732268 353121254 /nfs/dbraw/zinc/12/12/54/353121254.db2.gz PDAYPWALUNQXPU-NKWVEPMBSA-N 0 0 225.235 2.089 10 30 BEEERN C=C(Cl)COc1ccc(CO)cc1OC ZINC000020031969 188004301 /nfs/dbraw/zinc/00/43/01/188004301.db2.gz PEPZHZMYBULCNQ-UHFFFAOYSA-N 0 0 228.675 2.319 10 30 BEEERN CC(=O)c1c(C)[nH]c(=S)c(C#N)c1C ZINC000082378618 188004706 /nfs/dbraw/zinc/00/47/06/188004706.db2.gz RSWWATAWRRWVKB-UHFFFAOYSA-N 0 0 206.270 2.061 10 30 BEEERN N#Cc1cnc(Sc2cccc(O)c2)cn1 ZINC000127039852 188047106 /nfs/dbraw/zinc/04/71/06/188047106.db2.gz HBXNPZPYIWPKTN-UHFFFAOYSA-N 0 0 229.264 2.205 10 30 BEEERN CC(C)CN(C)c1cc(N)c(C#N)s1 ZINC000232605552 353143603 /nfs/dbraw/zinc/14/36/03/353143603.db2.gz CSXVKQHZTFLXOM-UHFFFAOYSA-N 0 0 209.318 2.294 10 30 BEEERN O=C[C@@]1([C@H]2CCSC2)CCCS1 ZINC000405272245 353156134 /nfs/dbraw/zinc/15/61/34/353156134.db2.gz VLGRWYPQOFUMQH-DTWKUNHWSA-N 0 0 202.344 2.204 10 30 BEEERN FC(F)(Cl)C1(C(F)(F)Cl)CO1 ZINC000104836179 180878172 /nfs/dbraw/zinc/87/81/72/180878172.db2.gz JZBRXPUZTWHBPT-UHFFFAOYSA-N 0 0 212.957 2.419 10 30 BEEERN C=C1C(=O)N(Cc2ccccc2)[C@H]1CC ZINC000196154456 188258600 /nfs/dbraw/zinc/25/86/00/188258600.db2.gz QRCREAIICUYNCD-LBPRGKRZSA-N 0 0 201.269 2.364 10 30 BEEERN C=CCN(C)C(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000161620179 353289438 /nfs/dbraw/zinc/28/94/38/353289438.db2.gz IJBABBMQIYHUQA-NSHDSACASA-N 0 0 233.311 2.443 10 30 BEEERN CC(C)=NOS(=O)(=O)c1ccc(C)cc1 ZINC000004984526 188276823 /nfs/dbraw/zinc/27/68/23/188276823.db2.gz GYOKHDOXHGBGTQ-UHFFFAOYSA-N 0 0 227.285 2.096 10 30 BEEERN CC(C)N(CC#N)Cc1ccccc1N ZINC000035365796 188278224 /nfs/dbraw/zinc/27/82/24/188278224.db2.gz YRMXKMYSHCJABZ-UHFFFAOYSA-N 0 0 203.289 2.003 10 30 BEEERN N#Cc1cccc(-c2ncn(-c3ccccn3)n2)c1 ZINC000013582342 188280151 /nfs/dbraw/zinc/28/01/51/188280151.db2.gz WCSKMYJKMYMTMV-UHFFFAOYSA-N 0 0 247.261 2.201 10 30 BEEERN C[C@H]1CCCC[C@@H]1Oc1ccc(/C(N)=N/O)cn1 ZINC000019427343 188280538 /nfs/dbraw/zinc/28/05/38/188280538.db2.gz QVPKNDCBQIICTN-ONGXEEELSA-N 0 0 249.314 2.134 10 30 BEEERN N#Cc1cccc(COc2cccnc2N)c1 ZINC000034957942 188284509 /nfs/dbraw/zinc/28/45/09/188284509.db2.gz DQLTVVPUFLGHQB-UHFFFAOYSA-N 0 0 225.251 2.114 10 30 BEEERN CC1(C)C[C@H](O)c2cc(C#N)ccc2O1 ZINC000034599871 188284762 /nfs/dbraw/zinc/28/47/62/188284762.db2.gz ULYAWVILEMYVIZ-JTQLQIEISA-N 0 0 203.241 2.153 10 30 BEEERN N#CCc1cnc2c(Br)cccn12 ZINC000036291670 188285789 /nfs/dbraw/zinc/28/57/89/188285789.db2.gz CKZHWBYUEJGTLF-UHFFFAOYSA-N 0 0 236.072 2.163 10 30 BEEERN CC(=O)Nc1cccc(N[C@@H](C)CC#N)c1 ZINC000037871225 188289105 /nfs/dbraw/zinc/28/91/05/188289105.db2.gz JTIOHOCINKJJRY-VIFPVBQESA-N 0 0 217.272 2.359 10 30 BEEERN CC(C)CN[C@@H](C#N)c1ccc2c(c1)CCO2 ZINC000037939298 188289201 /nfs/dbraw/zinc/28/92/01/188289201.db2.gz MGMXULJNAKIXPZ-ZDUSSCGKSA-N 0 0 230.311 2.432 10 30 BEEERN CC(C)C[C@H](C)N(C)c1ncc(N)cc1C#N ZINC000042577884 188293700 /nfs/dbraw/zinc/29/37/00/188293700.db2.gz XDZRBFLHMSZYSA-JTQLQIEISA-N 0 0 232.331 2.406 10 30 BEEERN Cc1occc1C(=O)N(CCC#N)C1CC1 ZINC000042359158 188294146 /nfs/dbraw/zinc/29/41/46/188294146.db2.gz JZOXEOMVOKSYHP-UHFFFAOYSA-N 0 0 218.256 2.106 10 30 BEEERN N#CCCN(C[C@H](O)c1ccccc1)C1CC1 ZINC000044415032 188296229 /nfs/dbraw/zinc/29/62/29/188296229.db2.gz PIYGAOHJTUOCLU-AWEZNQCLSA-N 0 0 230.311 2.098 10 30 BEEERN N#CCCN(C[C@@H]1CCOC1)c1ccccc1 ZINC000049688188 188298835 /nfs/dbraw/zinc/29/88/35/188298835.db2.gz YZRCDAHAGSGPMW-ZDUSSCGKSA-N 0 0 230.311 2.443 10 30 BEEERN Cc1csc(N=NC(C)c2cccnc2)n1 ZINC000096914500 188322053 /nfs/dbraw/zinc/32/20/53/188322053.db2.gz CGKLGNKTLRJLAM-NTEUORMPSA-N 0 0 232.312 2.105 10 30 BEEERN C=CCCCN(C)C(=O)N[C@H](CC)COC ZINC000129307315 353314883 /nfs/dbraw/zinc/31/48/83/353314883.db2.gz NVNWXZMRSCCDMW-LLVKDONJSA-N 0 0 228.336 2.019 10 30 BEEERN CN(C)c1ccc(C#N)cc1OC1CC1 ZINC000095734803 188320172 /nfs/dbraw/zinc/32/01/72/188320172.db2.gz BIOPLJSCJVFBPA-UHFFFAOYSA-N 0 0 202.257 2.165 10 30 BEEERN CC(C)[C@H](NC(=O)CC#N)c1cccs1 ZINC000049559963 188327168 /nfs/dbraw/zinc/32/71/68/188327168.db2.gz LJOVUIYXZSSTOE-NSHDSACASA-N 0 0 222.313 2.475 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1C ZINC000126448689 188330370 /nfs/dbraw/zinc/33/03/70/188330370.db2.gz NQWKFVXWRGBYOF-LLVKDONJSA-N 0 0 228.295 2.491 10 30 BEEERN C=C[C@@H]1COCc2c1cccc2[N+](=O)[O-] ZINC000146498535 188330744 /nfs/dbraw/zinc/33/07/44/188330744.db2.gz VBPLFGYCWUNTRM-MRVPVSSYSA-N 0 0 205.213 2.395 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)c1ccc(C)nc1C ZINC000054701386 353340618 /nfs/dbraw/zinc/34/06/18/353340618.db2.gz RLMCQKYREYHNHE-SNVBAGLBSA-N 0 0 245.326 2.320 10 30 BEEERN C=CC(C)(C)[C@]1(O)c2ccccc2NC1=O ZINC000021991487 188356090 /nfs/dbraw/zinc/35/60/90/188356090.db2.gz LOBQSLXKLNBTIA-ZDUSSCGKSA-N 0 0 217.268 2.039 10 30 BEEERN Cc1cccc(NC2=NCC(C)(C)S2)n1 ZINC000020354439 188353371 /nfs/dbraw/zinc/35/33/71/188353371.db2.gz DEYOVDWTJFTPPW-UHFFFAOYSA-N 0 0 221.329 2.493 10 30 BEEERN CC[C@H](C)[C@@]1(C)O[C@]1(C(=O)OC)C(C)C ZINC000227251551 538116929 /nfs/dbraw/zinc/11/69/29/538116929.db2.gz LWDLMQLNCWMTLN-WCQGTBRESA-N 0 0 214.305 2.389 10 30 BEEERN N#Cc1cc(SC2CCOCC2)ccn1 ZINC000062054349 188360335 /nfs/dbraw/zinc/36/03/35/188360335.db2.gz BOSDNVJLTYYOFO-UHFFFAOYSA-N 0 0 220.297 2.224 10 30 BEEERN CC(C)COC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061889303 188360536 /nfs/dbraw/zinc/36/05/36/188360536.db2.gz QNCOKMONSXFNQV-NXEZZACHSA-N 0 0 210.277 2.061 10 30 BEEERN SCc1cncc(Br)c1 ZINC000059193007 353434946 /nfs/dbraw/zinc/43/49/46/353434946.db2.gz PXYFYMVKLQPDLR-UHFFFAOYSA-N 0 0 204.092 2.274 10 30 BEEERN C=CCCCN(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134379885 353494614 /nfs/dbraw/zinc/49/46/14/353494614.db2.gz JFNWTNTVSXHBNC-LLVKDONJSA-N 0 0 247.342 2.254 10 30 BEEERN C#CC(=O)Nc1cc(C)ccc1Br ZINC000134866545 353515768 /nfs/dbraw/zinc/51/57/68/353515768.db2.gz NCVGCOJFSPXAGL-UHFFFAOYSA-N 0 0 238.084 2.329 10 30 BEEERN C#Cc1ccc(CCC(=O)OCC)c(F)c1 ZINC000095835906 188405665 /nfs/dbraw/zinc/40/56/65/188405665.db2.gz IMQLYVDZZIPIEB-UHFFFAOYSA-N 0 0 220.243 2.303 10 30 BEEERN C=CCCCN(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC000135094136 353525747 /nfs/dbraw/zinc/52/57/47/353525747.db2.gz XIHLZXJBOQMLAN-GFCCVEGCSA-N 0 0 248.326 2.274 10 30 BEEERN C=C(C)COCCNC(=O)N[C@H](C)C(C)(C)C ZINC000134977963 353528476 /nfs/dbraw/zinc/52/84/76/353528476.db2.gz GGUVHAQSEQFROW-LLVKDONJSA-N 0 0 242.363 2.313 10 30 BEEERN COc1cccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000061889189 353543278 /nfs/dbraw/zinc/54/32/78/353543278.db2.gz GBUZCZRQUZAGHU-WCQYABFASA-N 0 0 244.294 2.117 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(F)cc1 ZINC000061889194 353543313 /nfs/dbraw/zinc/54/33/13/353543313.db2.gz PHVYKEBFNSFLNV-AAEUAGOBSA-N 0 0 246.285 2.177 10 30 BEEERN CC#CCNC(=O)N(CC)[C@H](C)c1cccnc1 ZINC000136055268 353609546 /nfs/dbraw/zinc/60/95/46/353609546.db2.gz QUJYOPHGBHOJCT-GFCCVEGCSA-N 0 0 245.326 2.197 10 30 BEEERN CC#CCCC(=O)C1(O)CCCCCC1 ZINC000232656694 353745692 /nfs/dbraw/zinc/74/56/92/353745692.db2.gz IXTPCRLGTQOOOT-UHFFFAOYSA-N 0 0 208.301 2.444 10 30 BEEERN C#C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000186005140 353864094 /nfs/dbraw/zinc/86/40/94/353864094.db2.gz LNHUWKUCJZFEFC-RYUDHWBXSA-N 0 0 230.311 2.377 10 30 BEEERN N#CC1(NC(=O)[C@H]2CC=CCC2)CCCC1 ZINC000121993965 181029274 /nfs/dbraw/zinc/02/92/74/181029274.db2.gz ZWJMANWTGJJEIR-NSHDSACASA-N 0 0 218.300 2.295 10 30 BEEERN N#CC1(NC(=O)[C@@H]2CC=CCC2)CCCC1 ZINC000121994148 181030061 /nfs/dbraw/zinc/03/00/61/181030061.db2.gz ZWJMANWTGJJEIR-LLVKDONJSA-N 0 0 218.300 2.295 10 30 BEEERN N#CC1(c2ccc(Br)nc2)CC1 ZINC000090562326 181030196 /nfs/dbraw/zinc/03/01/96/181030196.db2.gz GPEPQUOJSLPUNB-UHFFFAOYSA-N 0 0 223.073 2.399 10 30 BEEERN N#CCCN(C(=O)[C@H]1C[C@H]2CC[C@@H]1C2)C1CC1 ZINC000042359100 181037288 /nfs/dbraw/zinc/03/72/88/181037288.db2.gz JCUCHNCITINYGX-LOWVWBTDSA-N 0 0 232.327 2.327 10 30 BEEERN N#CC[C@H](O)Cc1ccc(Br)cc1 ZINC000041283131 181045703 /nfs/dbraw/zinc/04/57/03/181045703.db2.gz SBKYZGIYTBBRPA-JTQLQIEISA-N 0 0 240.100 2.266 10 30 BEEERN N#CC[C@H](O)c1ccc(Br)cc1 ZINC000082292832 181045988 /nfs/dbraw/zinc/04/59/88/181045988.db2.gz QBIXYALEBZJFSR-VIFPVBQESA-N 0 0 226.073 2.396 10 30 BEEERN N#CCc1noc(-c2ccc3cc[nH]c3c2)n1 ZINC000073641376 181050550 /nfs/dbraw/zinc/05/05/50/181050550.db2.gz QFCOUDLRXBLOCX-UHFFFAOYSA-N 0 0 224.223 2.284 10 30 BEEERN N#CCc1noc(-c2cc3ccccc3[nH]2)n1 ZINC000073641281 181050600 /nfs/dbraw/zinc/05/06/00/181050600.db2.gz JYBZYKWWKZOPQE-UHFFFAOYSA-N 0 0 224.223 2.284 10 30 BEEERN N#CCc1noc(-c2ccc3ncccc3c2)n1 ZINC000073641488 181051163 /nfs/dbraw/zinc/05/11/63/181051163.db2.gz LCQDJMISPLKIHE-UHFFFAOYSA-N 0 0 236.234 2.351 10 30 BEEERN N#C[C@@H](NC[C@@H]1CCCO1)c1cccs1 ZINC000041671861 181057585 /nfs/dbraw/zinc/05/75/85/181057585.db2.gz YRAYHNNJJXTVMA-VHSXEESVSA-N 0 0 222.313 2.081 10 30 BEEERN N#C[C@@H](NCc1ccccc1)[C@H]1CCCOC1 ZINC000104318646 181057299 /nfs/dbraw/zinc/05/72/99/181057299.db2.gz ZZZNCGXBCJDYEM-UONOGXRCSA-N 0 0 230.311 2.095 10 30 BEEERN N#CN=C(Nc1ccccc1)Nc1cccnc1 ZINC000026577393 181053039 /nfs/dbraw/zinc/05/30/39/181053039.db2.gz PMHWHMPEEVACQW-UHFFFAOYSA-N 0 0 237.266 2.252 10 30 BEEERN C=C[C@H](NC1CCC(CC)CC1)C(=O)OC ZINC000301013648 363294571 /nfs/dbraw/zinc/29/45/71/363294571.db2.gz HGCYYBZCGWLZQF-MCIGGMRASA-N 0 0 225.332 2.272 10 30 BEEERN N#C[C@@H](Cc1cccs1)N1CCCC1 ZINC000041215237 181055086 /nfs/dbraw/zinc/05/50/86/181055086.db2.gz OQIBBTGJNUIUFB-SNVBAGLBSA-N 0 0 206.314 2.279 10 30 BEEERN N#C[C@@H](N)CCSc1ccc(F)cc1F ZINC000062451991 181055349 /nfs/dbraw/zinc/05/53/49/181055349.db2.gz PIMBXKLJFAAMJW-QMMMGPOBSA-N 0 0 228.267 2.298 10 30 BEEERN N#C[C@@H](N)CCSc1ccc(F)cc1 ZINC000062453851 181055542 /nfs/dbraw/zinc/05/55/42/181055542.db2.gz DFRRQIZGRHLZGS-VIFPVBQESA-N 0 0 210.277 2.159 10 30 BEEERN N#C[C@@H](N)c1cc(Cl)c2c(c1)OCCCO2 ZINC000036805052 181056552 /nfs/dbraw/zinc/05/65/52/181056552.db2.gz ZLAXZTUCBJHFSO-SECBINFHSA-N 0 0 238.674 2.025 10 30 BEEERN N#C[C@H](NC(=O)c1ccco1)c1ccc(F)cc1 ZINC000049831682 181064818 /nfs/dbraw/zinc/06/48/18/181064818.db2.gz MUHIKAOBMVNVPJ-NSHDSACASA-N 0 0 244.225 2.413 10 30 BEEERN N#C[C@@H](c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000019934671 181057798 /nfs/dbraw/zinc/05/77/98/181057798.db2.gz NYKFYAGMDWBGIW-LBPRGKRZSA-N 0 0 244.294 2.118 10 30 BEEERN N#C[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000057494074 181058211 /nfs/dbraw/zinc/05/82/11/181058211.db2.gz FSEZOOHTMDLOJN-NSHDSACASA-N 0 0 206.289 2.081 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccco1 ZINC000054824444 181058959 /nfs/dbraw/zinc/05/89/59/181058959.db2.gz CMYDMUKMHDRKHA-JQWIXIFHSA-N 0 0 204.273 2.452 10 30 BEEERN N#C[C@@H]1CNc2cc(Br)ccc21 ZINC000071486952 181060890 /nfs/dbraw/zinc/06/08/90/181060890.db2.gz YTMWDCQRJVKNGI-ZCFIWIBFSA-N 0 0 223.073 2.482 10 30 BEEERN N#Cc1[nH]c2ccc(Br)cc2c1N ZINC000148805693 181071809 /nfs/dbraw/zinc/07/18/09/181071809.db2.gz OMSMPMIILFYSSG-UHFFFAOYSA-N 0 0 236.072 2.384 10 30 BEEERN N#Cc1c(F)cccc1-n1nnc2ccccc21 ZINC000060991480 181075397 /nfs/dbraw/zinc/07/53/97/181075397.db2.gz DKUZBECHDOEBDV-UHFFFAOYSA-N 0 0 238.225 2.431 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NCc1ccncc1 ZINC000054824566 181067907 /nfs/dbraw/zinc/06/79/07/181067907.db2.gz UBUNBPFPYPZZPQ-OLZOCXBDSA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NCc1cccnc1 ZINC000054824554 181067966 /nfs/dbraw/zinc/06/79/66/181067966.db2.gz JTRHAMTYEUIQSA-OLZOCXBDSA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000061674845 181068992 /nfs/dbraw/zinc/06/89/92/181068992.db2.gz HOJJPSYIJPSNTN-NEPJUHHUSA-N 0 0 244.294 2.197 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NCc1ccco1 ZINC000054824441 181069048 /nfs/dbraw/zinc/06/90/48/181069048.db2.gz CMYDMUKMHDRKHA-ZYHUDNBSSA-N 0 0 204.273 2.452 10 30 BEEERN N#Cc1c(F)cccc1N1CCC[C@]12CCOC2 ZINC000311129334 181075049 /nfs/dbraw/zinc/07/50/49/181075049.db2.gz WEEAQLGQDRIHOX-CQSZACIVSA-N 0 0 246.285 2.457 10 30 BEEERN N#C[C@H]1CNc2cc(Br)ccc21 ZINC000071486951 181070094 /nfs/dbraw/zinc/07/00/94/181070094.db2.gz YTMWDCQRJVKNGI-LURJTMIESA-N 0 0 223.073 2.482 10 30 BEEERN N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H]1O ZINC000037690213 181075814 /nfs/dbraw/zinc/07/58/14/181075814.db2.gz FTZKBMVCNXLCBE-NEPJUHHUSA-N 0 0 220.247 2.023 10 30 BEEERN N#Cc1c(F)cccc1NCc1ncc[nH]1 ZINC000049714870 181075967 /nfs/dbraw/zinc/07/59/67/181075967.db2.gz DVIZUBYDHDVNFA-UHFFFAOYSA-N 0 0 216.219 2.033 10 30 BEEERN CC[C@@H](C)c1noc(CSCC#N)n1 ZINC000230995758 363333078 /nfs/dbraw/zinc/33/30/78/363333078.db2.gz NSDZSWAXERDOJV-SSDOTTSWSA-N 0 0 211.290 2.340 10 30 BEEERN N#Cc1cc(CNc2nncs2)ccc1F ZINC000083360717 181086094 /nfs/dbraw/zinc/08/60/94/181086094.db2.gz ANVDIDQEUHOZEH-UHFFFAOYSA-N 0 0 234.259 2.161 10 30 BEEERN N#Cc1cc2ccc(Br)cn2c1N ZINC000198789707 181093727 /nfs/dbraw/zinc/09/37/27/181093727.db2.gz SYBZQVXCFLRHKX-UHFFFAOYSA-N 0 0 236.072 2.156 10 30 BEEERN N#Cc1ccc(-c2cncc(Cl)n2)nc1 ZINC000072204347 181095561 /nfs/dbraw/zinc/09/55/61/181095561.db2.gz PZLOIJXOTFDLBX-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#Cc1cc(N)ccc1NCCc1ccco1 ZINC000042587276 181088946 /nfs/dbraw/zinc/08/89/46/181088946.db2.gz LPUIYPDVDIUNTO-UHFFFAOYSA-N 0 0 227.267 2.388 10 30 BEEERN N#Cc1cc(N)ccc1OCc1ccco1 ZINC000041021304 181089161 /nfs/dbraw/zinc/08/91/61/181089161.db2.gz XXCKQTUVXXLIBF-UHFFFAOYSA-N 0 0 214.224 2.312 10 30 BEEERN N#Cc1cc(N)ccc1N1CCCSCC1 ZINC000042443822 181089279 /nfs/dbraw/zinc/08/92/79/181089279.db2.gz NCSIWERPPNYCLK-UHFFFAOYSA-N 0 0 233.340 2.084 10 30 BEEERN N#Cc1cc(N)n([C@H]2CCc3ccccc32)c1 ZINC000090568190 181090071 /nfs/dbraw/zinc/09/00/71/181090071.db2.gz PNOGEDRGSXSXLZ-ZDUSSCGKSA-N 0 0 223.279 2.478 10 30 BEEERN N#Cc1cc(N)cnc1Oc1cccc(F)c1 ZINC000037759271 181090521 /nfs/dbraw/zinc/09/05/21/181090521.db2.gz RBSJCKVZCGPXNP-UHFFFAOYSA-N 0 0 229.214 2.467 10 30 BEEERN N#Cc1cc(=O)c2ccc(Cl)cc2[nH]1 ZINC000062569253 181091176 /nfs/dbraw/zinc/09/11/76/181091176.db2.gz WENNVZCISVLXHM-UHFFFAOYSA-N 0 0 204.616 2.465 10 30 BEEERN N#Cc1cc(N[C@H]2CCCC[C@H]2O)ccc1F ZINC000051636422 181091840 /nfs/dbraw/zinc/09/18/40/181091840.db2.gz UJZHKJHEYJMRLU-QWHCGFSZSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1cc(N[C@@H]2CCC[C@@H]2O)ccc1F ZINC000051636640 181091869 /nfs/dbraw/zinc/09/18/69/181091869.db2.gz NUTKAKDUZHIEIS-NEPJUHHUSA-N 0 0 220.247 2.023 10 30 BEEERN N#Cc1cc(OC2CC2)cc([N+](=O)[O-])c1 ZINC000095735046 181092012 /nfs/dbraw/zinc/09/20/12/181092012.db2.gz JBHLGWLNQLTGHJ-UHFFFAOYSA-N 0 0 204.185 2.008 10 30 BEEERN C[C@H](Oc1cc(C#N)ccc1N)C(F)(F)F ZINC000130573198 363364959 /nfs/dbraw/zinc/36/49/59/363364959.db2.gz ZYDSOEDYTBDKTC-LURJTMIESA-N 0 0 230.189 2.470 10 30 BEEERN N#Cc1ccc(C(=O)Nc2cccc(F)c2)cn1 ZINC000114995879 181101616 /nfs/dbraw/zinc/10/16/16/181101616.db2.gz NEPNWXYFBNCNAK-UHFFFAOYSA-N 0 0 241.225 2.345 10 30 BEEERN N#Cc1ccc(C(=O)Oc2ccc(O)cc2)cc1 ZINC000082304925 181101839 /nfs/dbraw/zinc/10/18/39/181101839.db2.gz UPMIMMYULADZDF-UHFFFAOYSA-N 0 0 239.230 2.483 10 30 BEEERN N#Cc1ccc(CN2CCC(=NO)CC2)c(F)c1 ZINC000019432124 181102240 /nfs/dbraw/zinc/10/22/40/181102240.db2.gz YORXSDJHGVAJDW-UHFFFAOYSA-N 0 0 247.273 2.123 10 30 BEEERN N#Cc1ccc(COC[C@H]2CCOC2)c(F)c1 ZINC000049690059 181110632 /nfs/dbraw/zinc/11/06/32/181110632.db2.gz KDXWAXSIZQSAGG-NSHDSACASA-N 0 0 235.258 2.250 10 30 BEEERN N#Cc1ccc(F)c(F)c1OC(F)F ZINC000047203240 181113760 /nfs/dbraw/zinc/11/37/60/181113760.db2.gz WSIFZIIDFYEAHP-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN N#Cc1ccc(N(CCO)C2CCCC2)c(F)c1 ZINC000042525904 181114668 /nfs/dbraw/zinc/11/46/68/181114668.db2.gz AVTHNZLXCRMNFG-UHFFFAOYSA-N 0 0 248.301 2.439 10 30 BEEERN N#Cc1ccc(N2CCCC[C@H](CO)C2)cc1 ZINC000371062587 181115466 /nfs/dbraw/zinc/11/54/66/181115466.db2.gz KBYAYPBPKFRQCT-ZDUSSCGKSA-N 0 0 230.311 2.157 10 30 BEEERN N#Cc1ccc(N2CCC[C@H]2CO)cc1Cl ZINC000061847375 181115760 /nfs/dbraw/zinc/11/57/60/181115760.db2.gz HZQUWYOVQSRLFL-NSHDSACASA-N 0 0 236.702 2.173 10 30 BEEERN N#Cc1ccc(N2C[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000357539535 181116693 /nfs/dbraw/zinc/11/66/93/181116693.db2.gz SJFNJFJUPSYXLM-CMPLNLGQSA-N 0 0 243.266 2.455 10 30 BEEERN N#Cc1ccc(N[C@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000087689630 181126193 /nfs/dbraw/zinc/12/61/93/181126193.db2.gz YPBXZHKQPDWVAH-AGIUHOORSA-N 0 0 214.268 2.290 10 30 BEEERN N#Cc1ccc(N[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000052006812 181126257 /nfs/dbraw/zinc/12/62/57/181126257.db2.gz JQDUJHNORJFDEG-QWHCGFSZSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1ccc(N[C@H]2CCCC[C@H]2O)cc1 ZINC000037691252 181126424 /nfs/dbraw/zinc/12/64/24/181126424.db2.gz WHYMHTWJKAYILC-QWHCGFSZSA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1ccc(OCCCCCO)cc1F ZINC000085502289 181127195 /nfs/dbraw/zinc/12/71/95/181127195.db2.gz ISWPQVJRGOFUFR-UHFFFAOYSA-N 0 0 223.247 2.239 10 30 BEEERN N#Cc1ccc(OCCCCCO)cc1 ZINC000051020439 181127743 /nfs/dbraw/zinc/12/77/43/181127743.db2.gz NWAPHNOKKMOZFG-UHFFFAOYSA-N 0 0 205.257 2.100 10 30 BEEERN N#Cc1ccc(OCc2ncon2)c(Cl)c1 ZINC000042227348 181128321 /nfs/dbraw/zinc/12/83/21/181128321.db2.gz OGPLFEDKBABNHF-UHFFFAOYSA-N 0 0 235.630 2.174 10 30 BEEERN N#Cc1ccc(OCc2ccco2)nc1 ZINC000019440130 181128501 /nfs/dbraw/zinc/12/85/01/181128501.db2.gz GVAOPQLUANHYHA-UHFFFAOYSA-N 0 0 200.197 2.125 10 30 BEEERN N#Cc1ccc(OCc2cccnc2C#N)cc1 ZINC000061659145 181128709 /nfs/dbraw/zinc/12/87/09/181128709.db2.gz JMMMLFUVPWIIAE-UHFFFAOYSA-N 0 0 235.246 2.404 10 30 BEEERN N#Cc1ccc(Oc2cc(N)ccn2)cc1 ZINC000043569408 181129117 /nfs/dbraw/zinc/12/91/17/181129117.db2.gz CSXIRQZCWKINBV-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1ccc2nc(-c3ccccn3)n(O)c2c1 ZINC000253560982 181133405 /nfs/dbraw/zinc/13/34/05/181133405.db2.gz BNDZSUCNHMJNQN-UHFFFAOYSA-N 0 0 236.234 2.207 10 30 BEEERN N#Cc1cccc(-c2cn(-c3ccccn3)nn2)c1 ZINC000013582332 181133647 /nfs/dbraw/zinc/13/36/47/181133647.db2.gz PGPZJLCKPQQOJR-UHFFFAOYSA-N 0 0 247.261 2.201 10 30 BEEERN N#Cc1cccc(-c2cncc(Cl)n2)n1 ZINC000072204202 181133780 /nfs/dbraw/zinc/13/37/80/181133780.db2.gz RVAWBWVRJNCDOG-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#Cc1cccc(-c2cnc(N)s2)c1 ZINC000038068999 181133837 /nfs/dbraw/zinc/13/38/37/181133837.db2.gz SZVGPMNDMYZPAD-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N#Cc1ccc(Sc2nnnn2C2CC2)cc1 ZINC000019867975 181130354 /nfs/dbraw/zinc/13/03/54/181130354.db2.gz VUOZRSDSHFOXLN-UHFFFAOYSA-N 0 0 243.295 2.031 10 30 BEEERN N#Cc1cccc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000054825642 181138319 /nfs/dbraw/zinc/13/83/19/181138319.db2.gz JTZVTPRAMPJBBC-KGLIPLIRSA-N 0 0 225.295 2.340 10 30 BEEERN N#Cc1cccc(C(=O)N2CCCSCC2)c1 ZINC000042294955 181135799 /nfs/dbraw/zinc/13/57/99/181135799.db2.gz PMWRURTYYDWEAM-UHFFFAOYSA-N 0 0 246.335 2.137 10 30 BEEERN N#Cc1cccc(Nc2ncccc2N)c1 ZINC000020585529 181142790 /nfs/dbraw/zinc/14/27/90/181142790.db2.gz ZHXGMLVHYSMOQL-UHFFFAOYSA-N 0 0 210.240 2.279 10 30 BEEERN N#Cc1cccc(OCCCCCO)c1 ZINC000051020329 181142869 /nfs/dbraw/zinc/14/28/69/181142869.db2.gz JHQSJASCSDISPM-UHFFFAOYSA-N 0 0 205.257 2.100 10 30 BEEERN N#Cc1ccccc1[C@H]1Cc2nccn2C1 ZINC000040394469 181150921 /nfs/dbraw/zinc/15/09/21/181150921.db2.gz KMOFNRDXTFJLAO-NSHDSACASA-N 0 0 209.252 2.095 10 30 BEEERN N#Cc1ccccc1NC[C@@H]1CCOC1 ZINC000019921773 181148349 /nfs/dbraw/zinc/14/83/49/181148349.db2.gz YXUGOKNEVCLGTR-JTQLQIEISA-N 0 0 202.257 2.007 10 30 BEEERN N#Cc1ccccc1Nc1ncnc(Cl)c1N ZINC000062362497 181149071 /nfs/dbraw/zinc/14/90/71/181149071.db2.gz DXPYKOFHFDLIKS-UHFFFAOYSA-N 0 0 245.673 2.327 10 30 BEEERN N#Cc1ccccc1N[C@@H]1CCSC1 ZINC000019921390 181149155 /nfs/dbraw/zinc/14/91/55/181149155.db2.gz ALOOFKPANJLHES-SNVBAGLBSA-N 0 0 204.298 2.476 10 30 BEEERN N#CC1(C(=O)N2C[C@H]3CCC[C@H]32)CCCC1 ZINC000335144399 354851368 /nfs/dbraw/zinc/85/13/68/354851368.db2.gz CZZAMSCDDOYAII-GHMZBOCLSA-N 0 0 218.300 2.081 10 30 BEEERN COc1ccc(C#CC#N)cc1Br ZINC000161215125 363438775 /nfs/dbraw/zinc/43/87/75/363438775.db2.gz SJCYKJQWTDQUGV-UHFFFAOYSA-N 0 0 236.068 2.333 10 30 BEEERN COCCCCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000234624023 363427009 /nfs/dbraw/zinc/42/70/09/363427009.db2.gz BVALMMDHOOAJGA-NWDGAFQWSA-N 0 0 210.321 2.085 10 30 BEEERN C=C1CCN(c2nc(C)nc(C)c2F)CC1 ZINC000335166302 354924155 /nfs/dbraw/zinc/92/41/55/354924155.db2.gz AHYKNNQQSNURMD-UHFFFAOYSA-N 0 0 221.279 2.389 10 30 BEEERN N#Cc1nc2cc(Br)ccc2cc1N ZINC000098179637 181169601 /nfs/dbraw/zinc/16/96/01/181169601.db2.gz LHKOWSUAWRNTMQ-UHFFFAOYSA-N 0 0 248.083 2.451 10 30 BEEERN N#Cc1nccc(Br)c1OC1CC1 ZINC000095736612 181170578 /nfs/dbraw/zinc/17/05/78/181170578.db2.gz LHRZGFJIGDCZDM-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1ncccc1CNCc1cccs1 ZINC000061657322 181170585 /nfs/dbraw/zinc/17/05/85/181170585.db2.gz ZAXAIEDPPPNLCB-UHFFFAOYSA-N 0 0 229.308 2.305 10 30 BEEERN N#Cc1ncccc1CNCc1ccccc1F ZINC000061657074 181170853 /nfs/dbraw/zinc/17/08/53/181170853.db2.gz DIVRZJKZIDYDHO-UHFFFAOYSA-N 0 0 241.269 2.382 10 30 BEEERN N#Cc1nccnc1N1C[C@@H]2CCCCC[C@@H]21 ZINC000374191121 181174144 /nfs/dbraw/zinc/17/41/44/181174144.db2.gz YCSHKUOYRCMFJX-JQWIXIFHSA-N 0 0 228.299 2.117 10 30 BEEERN N#Cc1nccn1CCOc1ccc(Cl)cc1 ZINC000123962863 181172704 /nfs/dbraw/zinc/17/27/04/181172704.db2.gz BQBFWBZFTWHWRI-UHFFFAOYSA-N 0 0 247.685 2.487 10 30 BEEERN N#Cc1nccnc1N(Cc1ccco1)C1CC1 ZINC000054379407 181173428 /nfs/dbraw/zinc/17/34/28/181173428.db2.gz VHYYGJZSYKZCNF-UHFFFAOYSA-N 0 0 240.266 2.110 10 30 BEEERN N#Cc1nccnc1Sc1ccc(N)cc1 ZINC000054378886 181174763 /nfs/dbraw/zinc/17/47/63/181174763.db2.gz YHXDJCWTVKAVFC-UHFFFAOYSA-N 0 0 228.280 2.082 10 30 BEEERN N#Cc1sc(Nc2ccccc2)nc1N ZINC000039370218 181178584 /nfs/dbraw/zinc/17/85/84/181178584.db2.gz LMWUWWGVYMYSAF-UHFFFAOYSA-N 0 0 216.269 2.341 10 30 BEEERN N/C(=N\O)c1ccnc(Sc2ccccc2)c1 ZINC000019847713 181181435 /nfs/dbraw/zinc/18/14/35/181181435.db2.gz FRYUVNLEZGSLMP-UHFFFAOYSA-N 0 0 245.307 2.327 10 30 BEEERN N/C(=N\O)c1ccc(OC2CCCC2)cc1 ZINC000019474928 181181101 /nfs/dbraw/zinc/18/11/01/181181101.db2.gz IGGYKCMJKNMYAZ-UHFFFAOYSA-N 0 0 220.272 2.103 10 30 BEEERN CC(C)c1nccnc1N(C)C[C@@H](C)C#N ZINC000413057798 191351107 /nfs/dbraw/zinc/35/11/07/191351107.db2.gz YYTYJIQXIPLMKR-JTQLQIEISA-N 0 0 218.304 2.196 10 30 BEEERN N/C(=N\O)c1cccnc1Sc1ccccc1 ZINC000019847711 181181714 /nfs/dbraw/zinc/18/17/14/181181714.db2.gz IQJGOPNVWUZYTM-UHFFFAOYSA-N 0 0 245.307 2.327 10 30 BEEERN N/C(=N\O)c1ccc(COC2CCCC2)cc1 ZINC000019473193 181181814 /nfs/dbraw/zinc/18/18/14/181181814.db2.gz YKCZLCHRLVDFEC-UHFFFAOYSA-N 0 0 234.299 2.240 10 30 BEEERN N/C(CCCSc1ccc(F)cc1)=N\O ZINC000019847814 181182150 /nfs/dbraw/zinc/18/21/50/181182150.db2.gz QHTFQPMFNVATGC-UHFFFAOYSA-N 0 0 228.292 2.444 10 30 BEEERN N/C(CCCOc1ccccc1Cl)=N\O ZINC000019489279 181182506 /nfs/dbraw/zinc/18/25/06/181182506.db2.gz MEQVVZOLPAWYPI-UHFFFAOYSA-N 0 0 228.679 2.245 10 30 BEEERN CCON=Cc1cc(Br)ncc1F ZINC000308313396 355335061 /nfs/dbraw/zinc/33/50/61/355335061.db2.gz UJDXOSQRMWOBFZ-UHFFFAOYSA-N 0 0 247.067 2.354 10 30 BEEERN CC(C)[C@@H]1OCC[C@@H]1CNc1ccc(C#N)cn1 ZINC000267182483 191511899 /nfs/dbraw/zinc/51/18/99/191511899.db2.gz FTRFXPCFCCETKQ-OCCSQVGLSA-N 0 0 245.326 2.426 10 30 BEEERN O=C1C=C(N2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000160262890 355771839 /nfs/dbraw/zinc/77/18/39/355771839.db2.gz XNOCCOBPTGKNGY-GWCFXTLKSA-N 0 0 205.301 2.498 10 30 BEEERN Cc1ccc(CN(C)c2ccc(C#N)cn2)o1 ZINC000035126457 355836226 /nfs/dbraw/zinc/83/62/26/355836226.db2.gz SMLXOODDSIWIPS-UHFFFAOYSA-N 0 0 227.267 2.491 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)C[C@@H]1CCCC[C@H]1O ZINC000329245319 355907109 /nfs/dbraw/zinc/90/71/09/355907109.db2.gz VCJIYEVZJXKRMN-WRWGMCAJSA-N 0 0 241.331 2.062 10 30 BEEERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C)C1CCCC1 ZINC000330197030 356181211 /nfs/dbraw/zinc/18/12/11/356181211.db2.gz RGDYGCFFLLBFCC-HOSYDEDBSA-N 0 0 240.347 2.246 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)NC1(C)CCCC1 ZINC000330198094 356181229 /nfs/dbraw/zinc/18/12/29/356181229.db2.gz STFXMNFGROTSCG-NXEZZACHSA-N 0 0 226.320 2.000 10 30 BEEERN C[C@@H](O)C#Cc1nc2ccccc2s1 ZINC000200638032 356357842 /nfs/dbraw/zinc/35/78/42/356357842.db2.gz VMHRDRDXNXEKAX-MRVPVSSYSA-N 0 0 203.266 2.029 10 30 BEEERN N#Cc1cc2c(F)c(F)c(F)c(F)c2[nH]c1=O ZINC000675068048 538495979 /nfs/dbraw/zinc/49/59/79/538495979.db2.gz RBEUPQKJBRDMOF-UHFFFAOYSA-N 0 0 242.131 2.368 10 30 BEEERN COc1ccc(C#CC(F)(F)F)c(N)c1 ZINC000675078978 538517795 /nfs/dbraw/zinc/51/77/95/538517795.db2.gz OOSXMDWVGIODEG-UHFFFAOYSA-N 0 0 215.174 2.191 10 30 BEEERN CCOC(=O)[C@H]1O[C@]1(C)CCC(C)C ZINC000084324579 538531066 /nfs/dbraw/zinc/53/10/66/538531066.db2.gz DPNRKFSCXPAGDB-MWLCHTKSSA-N 0 0 200.278 2.143 10 30 BEEERN CC[C@H](C)C[C@@]1(CC)O[C@H]1C(=O)OC ZINC000084324217 538531276 /nfs/dbraw/zinc/53/12/76/538531276.db2.gz UHNLBGLJJVRXEI-ATZCPNFKSA-N 0 0 200.278 2.143 10 30 BEEERN COC(=O)[C@@H]1O[C@]1(C)c1ccc(F)cc1Cl ZINC000085657641 538544247 /nfs/dbraw/zinc/54/42/47/538544247.db2.gz MICFZQLAJXVRAA-GXSJLCMTSA-N 0 0 244.649 2.266 10 30 BEEERN COC(=O)[C@@]1(C)O[C@]1(C)CCC(C)C ZINC000085657884 538544743 /nfs/dbraw/zinc/54/47/43/538544743.db2.gz VRHDZROVRQMPIJ-GHMZBOCLSA-N 0 0 200.278 2.143 10 30 BEEERN C=C(C)COc1ccccc1C(=O)OC ZINC000034354013 356702348 /nfs/dbraw/zinc/70/23/48/356702348.db2.gz NUYRHBZFBQMTCI-UHFFFAOYSA-N 0 0 206.241 2.428 10 30 BEEERN COC(=O)[C@@]1(C(C)C)O[C@@]1(C)C(C)(C)C ZINC000086182595 538551593 /nfs/dbraw/zinc/55/15/93/538551593.db2.gz GJRQKWPXWMYEMQ-NWDGAFQWSA-N 0 0 214.305 2.389 10 30 BEEERN CCC1(CC)O[C@]1(C(=O)OC)C(C)C ZINC000086182646 538551617 /nfs/dbraw/zinc/55/16/17/538551617.db2.gz NTEKLDGFXLKTOZ-NSHDSACASA-N 0 0 200.278 2.143 10 30 BEEERN COc1c(CC#N)cncc1OC(F)(F)F ZINC000390500328 356825598 /nfs/dbraw/zinc/82/55/98/356825598.db2.gz TUOKOEUVCHLKML-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN N#Cc1ccc(N2CCCC(=O)C2)cc1Cl ZINC000089065357 356913500 /nfs/dbraw/zinc/91/35/00/356913500.db2.gz CWRUHHCGWGXIDC-UHFFFAOYSA-N 0 0 234.686 2.381 10 30 BEEERN C#CCC[C@H](O)c1ccc(Br)cn1 ZINC000129991064 357121935 /nfs/dbraw/zinc/12/19/35/357121935.db2.gz BDJCIGZBDKDZJQ-JTQLQIEISA-N 0 0 240.100 2.291 10 30 BEEERN CCN(CCC#N)c1cccc(N)c1C ZINC000062725075 169816394 /nfs/dbraw/zinc/81/63/94/169816394.db2.gz XLAIABNPEZKWBC-UHFFFAOYSA-N 0 0 203.289 2.317 10 30 BEEERN CC(C)n1cc(CN[C@H]2CCC[C@@H]2C#N)cn1 ZINC000230686676 357549627 /nfs/dbraw/zinc/54/96/27/357549627.db2.gz SXKMORCNBNDWEN-OLZOCXBDSA-N 0 0 232.331 2.246 10 30 BEEERN N#Cc1ccccc1CN[C@H]1CCC[C@H]1C#N ZINC000230686535 357549803 /nfs/dbraw/zinc/54/98/03/357549803.db2.gz LCXXBRZRPWSQNX-JSGCOSHPSA-N 0 0 225.295 2.340 10 30 BEEERN COc1ccc([C@H](O)C(C)(C)C#N)cc1 ZINC000085883703 357808584 /nfs/dbraw/zinc/80/85/84/357808584.db2.gz SDNIUZBGOOSFSP-NSHDSACASA-N 0 0 205.257 2.278 10 30 BEEERN NC(=O)c1ccc(/N=C/c2ccc(O)cc2)cc1 ZINC000000288277 181292932 /nfs/dbraw/zinc/29/29/32/181292932.db2.gz AIGPYIJFGFPXMO-CXUHLZMHSA-N 0 0 240.262 2.242 10 30 BEEERN CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000610496191 357956282 /nfs/dbraw/zinc/95/62/82/357956282.db2.gz ROUJAQJFEWDUBG-BDAKNGLRSA-N 0 0 230.258 2.230 10 30 BEEERN C=CCCOCCNC(=O)NC(C)(CC)CC ZINC000122432166 134239015 /nfs/dbraw/zinc/23/90/15/134239015.db2.gz OTBMYCGWDGODIT-UHFFFAOYSA-N 0 0 242.363 2.457 10 30 BEEERN CC[C@H](C#N)C(=O)N[C@H]1CCOc2ccccc21 ZINC000051987832 358114441 /nfs/dbraw/zinc/11/44/41/358114441.db2.gz JBGNCNSYQRYNQI-PWSUYJOCSA-N 0 0 244.294 2.176 10 30 BEEERN CC(C)[C@H](C)NC(=O)c1sccc1C#N ZINC000052028277 358137786 /nfs/dbraw/zinc/13/77/86/358137786.db2.gz ZTLCDXPLRHIAFW-QMMMGPOBSA-N 0 0 222.313 2.394 10 30 BEEERN COC(=O)/C(F)=C/c1ccc(C#N)cc1 ZINC000584611975 358275705 /nfs/dbraw/zinc/27/57/05/358275705.db2.gz VDPJLZDHIJTZNK-POHAHGRESA-N 0 0 205.188 2.042 10 30 BEEERN C[C@@H](C#N)NC(=O)N(C)c1cccc(Cl)c1 ZINC000584613549 358278156 /nfs/dbraw/zinc/27/81/56/358278156.db2.gz SEOGTZMHJVONMW-QMMMGPOBSA-N 0 0 237.690 2.398 10 30 BEEERN C=C(C)Cc1ccccc1OCC(=O)OC ZINC000584591352 358249588 /nfs/dbraw/zinc/24/95/88/358249588.db2.gz PHHXDKLOBMBCOB-UHFFFAOYSA-N 0 0 220.268 2.357 10 30 BEEERN COC(=O)c1ccccc1[C@H]1C/C(=N/O)CCO1 ZINC000584597378 358254533 /nfs/dbraw/zinc/25/45/33/358254533.db2.gz MZLFMQLOKAJBCA-ZMTLZGASSA-N 0 0 249.266 2.155 10 30 BEEERN C=C(Br)CCC[C@@H]1C[C@H]1O ZINC000584601899 358259355 /nfs/dbraw/zinc/25/93/55/358259355.db2.gz KPDBEPSJXNXSMQ-HTQZYQBOSA-N 0 0 205.095 2.446 10 30 BEEERN CCOP(=O)(CC(=O)C1=C(C)C1)OCC ZINC000584601916 358259388 /nfs/dbraw/zinc/25/93/88/358259388.db2.gz GAHQVNBCVRJILK-VIFPVBQESA-N 0 0 232.216 2.398 10 30 BEEERN C#C[C@](O)(c1ccccc1)[C@]1(C#N)C[C@H]1C ZINC000584603471 358261831 /nfs/dbraw/zinc/26/18/31/358261831.db2.gz YBSBWQOHQHITTE-XBFCOCLRSA-N 0 0 211.264 2.057 10 30 BEEERN C=C(C(=O)OC)[C@H](F)c1ccc([N+](=O)[O-])cc1 ZINC000584606734 358266423 /nfs/dbraw/zinc/26/64/23/358266423.db2.gz LHMBPWWVNSZGRD-JTQLQIEISA-N 0 0 239.202 2.335 10 30 BEEERN Cc1ccc([C@@H](C[N+](=O)[O-])[C@H](C)C=O)cc1 ZINC000584608816 358269228 /nfs/dbraw/zinc/26/92/28/358269228.db2.gz PCLKSIWENRGUGK-PWSUYJOCSA-N 0 0 221.256 2.190 10 30 BEEERN C=CC[C@@H]([C@H](O)CCCCC)[N+](=O)[O-] ZINC000584609189 358270628 /nfs/dbraw/zinc/27/06/28/358270628.db2.gz PIBBVLLDMUPAPK-VHSXEESVSA-N 0 0 201.266 2.149 10 30 BEEERN C/C=C1\COc2cc(OC)ccc2C1=O ZINC000584609712 358271275 /nfs/dbraw/zinc/27/12/75/358271275.db2.gz QHZICMSYBRTWMG-FPYGCLRLSA-N 0 0 204.225 2.217 10 30 BEEERN CC(C)(C)S(=O)(=O)/N=C1/C=CCCC1 ZINC000584610252 358273018 /nfs/dbraw/zinc/27/30/18/358273018.db2.gz TTXMRZSUAZBVTE-LUAWRHEFSA-N 0 0 215.318 2.296 10 30 BEEERN O=CC[C@H](C[N+](=O)[O-])c1ccccc1Cl ZINC000584610824 358274349 /nfs/dbraw/zinc/27/43/49/358274349.db2.gz XPYWZVOYGQBNFV-MRVPVSSYSA-N 0 0 227.647 2.289 10 30 BEEERN C/C(=N\O)[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000584624548 358292396 /nfs/dbraw/zinc/29/23/96/358292396.db2.gz UEWBNEXGTDMRQK-UESPBHMZSA-N 0 0 247.342 2.047 10 30 BEEERN C[C@H]1CCCN1OC(=O)c1ccccc1 ZINC000584625933 358295248 /nfs/dbraw/zinc/29/52/48/358295248.db2.gz KDSFXXCIMNCFRO-JTQLQIEISA-N 0 0 205.257 2.243 10 30 BEEERN COc1cccc2c1C=C(C[C@@H](N)C#N)CC2 ZINC000584626740 358296176 /nfs/dbraw/zinc/29/61/76/358296176.db2.gz BHKDIJZTSCKQSM-GFCCVEGCSA-N 0 0 228.295 2.266 10 30 BEEERN C=CC[C@@H](Cc1ccccc1)N(C)C1=NCCO1 ZINC000584627128 358296693 /nfs/dbraw/zinc/29/66/93/358296693.db2.gz NLZSJCFXRQLQQA-AWEZNQCLSA-N 0 0 244.338 2.492 10 30 BEEERN Cc1cc(Cl)cnc1/C(Cl)=N/O ZINC000584628826 358297867 /nfs/dbraw/zinc/29/78/67/358297867.db2.gz SVTDCKRGLSLILC-XFFZJAGNSA-N 0 0 205.044 2.418 10 30 BEEERN C[C@](O)(C#C[Si](C)(C)C)c1nccs1 ZINC000584630438 358300007 /nfs/dbraw/zinc/30/00/07/358300007.db2.gz ZDZUQIJARABRSJ-JTQLQIEISA-N 0 0 225.389 2.231 10 30 BEEERN C=CCNC(=O)c1cc(CC)c(CCC)[nH]c1=O ZINC000584631927 358314196 /nfs/dbraw/zinc/31/41/96/358314196.db2.gz FHALDIOTUYBYTH-UHFFFAOYSA-N 0 0 248.326 2.218 10 30 BEEERN C#CC(C)(C)O[S@](=O)c1ccccc1 ZINC000584660984 358311986 /nfs/dbraw/zinc/31/19/86/358311986.db2.gz YWJWRJICAOBOKP-AWEZNQCLSA-N 0 0 208.282 2.138 10 30 BEEERN COc1cccc(N=Cc2nc[nH]c2C)c1 ZINC000584632068 358314700 /nfs/dbraw/zinc/31/47/00/358314700.db2.gz IVVMRUIPZRTPHB-NTUHNPAUSA-N 0 0 215.256 2.477 10 30 BEEERN C=C[C@@]1(c2cccc(OC)c2)COC(=O)O1 ZINC000584634220 358318530 /nfs/dbraw/zinc/31/85/30/358318530.db2.gz DTTMCOHGVODGOQ-LBPRGKRZSA-N 0 0 220.224 2.243 10 30 BEEERN C=C[C@]1(c2ccc(OC)cc2)COC(=O)O1 ZINC000584634593 358318989 /nfs/dbraw/zinc/31/89/89/358318989.db2.gz PIABCOMXDCZXJS-GFCCVEGCSA-N 0 0 220.224 2.243 10 30 BEEERN N#CCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000125587181 358541868 /nfs/dbraw/zinc/54/18/68/358541868.db2.gz MIQQNZXVCSRUHS-UHFFFAOYSA-N 0 0 244.269 2.355 10 30 BEEERN C=CCCCN(C)C(=O)NC[C@H]1CCCS1 ZINC000125330829 358538308 /nfs/dbraw/zinc/53/83/08/358538308.db2.gz DDTSUSUJKKMEQQ-LLVKDONJSA-N 0 0 242.388 2.490 10 30 BEEERN C#CCN(C)c1ccc(C#N)c(Cl)c1 ZINC000130177334 358681805 /nfs/dbraw/zinc/68/18/05/358681805.db2.gz WGUMAFAVINCUJI-UHFFFAOYSA-N 0 0 204.660 2.281 10 30 BEEERN CCc1nc(CN[C@H]2CCC[C@@H]2C#N)cs1 ZINC000132443000 358723446 /nfs/dbraw/zinc/72/34/46/358723446.db2.gz IFBZCXINVRQSON-KOLCDFICSA-N 0 0 235.356 2.487 10 30 BEEERN Cc1ccc(CCC(=O)N(C)[C@H](C)C#N)cc1 ZINC000052945869 358801822 /nfs/dbraw/zinc/80/18/22/358801822.db2.gz XGQBXCHPFBNCJD-GFCCVEGCSA-N 0 0 230.311 2.298 10 30 BEEERN C=CCSCCNC(=O)CCCSC ZINC000134705823 358803142 /nfs/dbraw/zinc/80/31/42/358803142.db2.gz WAEFXPPHESZRJY-UHFFFAOYSA-N 0 0 233.402 2.165 10 30 BEEERN Cc1ccncc1CN[C@@H]1CCC[C@H]1C#N ZINC000135459851 358839887 /nfs/dbraw/zinc/83/98/87/358839887.db2.gz DRPDFAMDYGSMKQ-WCQYABFASA-N 0 0 215.300 2.172 10 30 BEEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1cccnc1 ZINC000054825115 358876205 /nfs/dbraw/zinc/87/62/05/358876205.db2.gz LZRWXSRKVQRFBA-LOWVWBTDSA-N 0 0 215.300 2.424 10 30 BEEERN C#C[C@@H](C)Nc1cc(Cl)nc(Cl)n1 ZINC000306194497 359022954 /nfs/dbraw/zinc/02/29/54/359022954.db2.gz WGHSEJXUVRTERM-RXMQYKEDSA-N 0 0 216.071 2.217 10 30 BEEERN C#C[C@H](C)OCc1nc(Cl)cc(Cl)n1 ZINC000306175648 358982496 /nfs/dbraw/zinc/98/24/96/358982496.db2.gz MXROTXDXKADWLH-LURJTMIESA-N 0 0 231.082 2.322 10 30 BEEERN CC[C@H](S)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000306205287 359297120 /nfs/dbraw/zinc/29/71/20/359297120.db2.gz OLQXCJAHXXNPAK-AEJSXWLSSA-N 0 0 215.362 2.484 10 30 BEEERN CON=C(N)c1c(Cl)cccc1Cl ZINC000306207650 359299099 /nfs/dbraw/zinc/29/90/99/359299099.db2.gz QYYDUYVOOMYVIA-UHFFFAOYSA-N 0 0 219.071 2.260 10 30 BEEERN C[C@@H]1CCC(=O)N1CC1(CS)CCC1 ZINC000306231152 359379646 /nfs/dbraw/zinc/37/96/46/359379646.db2.gz DMRWIVRCUKDHKC-SECBINFHSA-N 0 0 213.346 2.097 10 30 BEEERN Cc1csc([C@]2(C#N)CCCOC2)n1 ZINC000306241598 359421803 /nfs/dbraw/zinc/42/18/03/359421803.db2.gz RTFOPJZORJUDOC-JTQLQIEISA-N 0 0 208.286 2.023 10 30 BEEERN COC1([C@@H]2CC[C@@H](C=O)O2)CCCCC1 ZINC000306241760 359424235 /nfs/dbraw/zinc/42/42/35/359424235.db2.gz MTIRVYDKPUJQKY-QWRGUYRKSA-N 0 0 212.289 2.082 10 30 BEEERN COC1([C@H]2CC[C@H](C=O)O2)CCCCC1 ZINC000306241758 359424340 /nfs/dbraw/zinc/42/43/40/359424340.db2.gz MTIRVYDKPUJQKY-GHMZBOCLSA-N 0 0 212.289 2.082 10 30 BEEERN CO[C@@H](C=O)c1cc(Cl)ccc1F ZINC000306296192 359540396 /nfs/dbraw/zinc/54/03/96/359540396.db2.gz BZLWJQUTIXVTAU-VIFPVBQESA-N 0 0 202.612 2.366 10 30 BEEERN C#CC[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000306299753 359547873 /nfs/dbraw/zinc/54/78/73/359547873.db2.gz FDEMAMJRCNZGDD-ZETCQYMHSA-N 0 0 210.258 2.480 10 30 BEEERN C[C@@H]1CCCCCN1C(=O)C#CBr ZINC000306302657 359578018 /nfs/dbraw/zinc/57/80/18/359578018.db2.gz HBEYCQBCHVLLEI-SECBINFHSA-N 0 0 244.132 2.133 10 30 BEEERN C=CC(=O)c1ccc(N)cc1Br ZINC000306304459 359583890 /nfs/dbraw/zinc/58/38/90/359583890.db2.gz GVDVHFPGWAOJTK-UHFFFAOYSA-N 0 0 226.073 2.400 10 30 BEEERN COC(C)(C)C(=O)C#Cc1ccccc1 ZINC000306314346 359594452 /nfs/dbraw/zinc/59/44/52/359594452.db2.gz PLWVIOWHFGPLHJ-UHFFFAOYSA-N 0 0 202.253 2.032 10 30 BEEERN COc1cccc(Cl)c1C#CCCO ZINC000306329380 359609846 /nfs/dbraw/zinc/60/98/46/359609846.db2.gz ZHLJUMOEZMMZQX-UHFFFAOYSA-N 0 0 210.660 2.083 10 30 BEEERN N#Cc1ccc(NC(=O)C(F)(F)F)cc1F ZINC000306374231 359709430 /nfs/dbraw/zinc/70/94/30/359709430.db2.gz KHKQTCVJCOEIPL-UHFFFAOYSA-N 0 0 232.136 2.198 10 30 BEEERN C[C@H]1CCCC[C@@H]1NC(=O)C#CBr ZINC000306414302 359816365 /nfs/dbraw/zinc/81/63/65/359816365.db2.gz VXWCQEWAWAGLBC-IUCAKERBSA-N 0 0 244.132 2.037 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1nc2c(s1)CCC2 ZINC000612584420 359896869 /nfs/dbraw/zinc/89/68/69/359896869.db2.gz HPLGHTHUJJZZHI-UWVGGRQHSA-N 0 0 247.367 2.414 10 30 BEEERN O=C1C=C(N2CCC(C(F)F)CC2)CC1 ZINC000306431090 359918553 /nfs/dbraw/zinc/91/85/53/359918553.db2.gz JXGYOYUYIIRCAI-UHFFFAOYSA-N 0 0 215.243 2.210 10 30 BEEERN C=C(C(F)(F)F)[C@@]1(O)CSC[C@@H]1C ZINC000306456741 360047149 /nfs/dbraw/zinc/04/71/49/360047149.db2.gz VKYZEOJGMZVLRX-CAHLUQPWSA-N 0 0 212.236 2.219 10 30 BEEERN CC(C)(C#N)c1nc(CCS)cs1 ZINC000306476745 360111459 /nfs/dbraw/zinc/11/14/59/360111459.db2.gz JRXYXJUAPGKTOL-UHFFFAOYSA-N 0 0 212.343 2.417 10 30 BEEERN Cc1c(F)c([C@@H](O)C=O)ccc1Cl ZINC000306489673 360181876 /nfs/dbraw/zinc/18/18/76/360181876.db2.gz XAAHKBDAHVZTCA-QMMMGPOBSA-N 0 0 202.612 2.020 10 30 BEEERN C=C(C)Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000069760131 360407203 /nfs/dbraw/zinc/40/72/03/360407203.db2.gz YKTCOLXLRWBSTD-UHFFFAOYSA-N 0 0 201.613 2.021 10 30 BEEERN C=C(Cl)CNc1ccc(C)c(C#N)n1 ZINC000306545063 360413452 /nfs/dbraw/zinc/41/34/52/360413452.db2.gz VMXJCAPCQFBRRC-UHFFFAOYSA-N 0 0 207.664 2.426 10 30 BEEERN C#CCC[C@@H](O)c1coc(Br)c1 ZINC000306544632 360415742 /nfs/dbraw/zinc/41/57/42/360415742.db2.gz VJCDRJLNRZPLQR-MRVPVSSYSA-N 0 0 229.073 2.489 10 30 BEEERN C=C[C@H](C)n1c2cnccc2[nH]c1=S ZINC000306548638 360418806 /nfs/dbraw/zinc/41/88/06/360418806.db2.gz CWUCPWFGWDONHM-ZETCQYMHSA-N 0 0 205.286 2.467 10 30 BEEERN C[C@@H]1C[C@H](C(=O)CC#CC(C)(C)C)CO1 ZINC000300739094 360423476 /nfs/dbraw/zinc/42/34/76/360423476.db2.gz HZLYDRZHVWAKIZ-MNOVXSKESA-N 0 0 208.301 2.420 10 30 BEEERN CC(C)(C)C#CCC(=O)[C@@H]1CCCOC1 ZINC000300763487 360469522 /nfs/dbraw/zinc/46/95/22/360469522.db2.gz OFOOPSZJFNQWAG-LLVKDONJSA-N 0 0 208.301 2.422 10 30 BEEERN C[C@@H]1CCCC[C@]1(C#N)CC[S@@](C)=O ZINC000306572657 360460893 /nfs/dbraw/zinc/46/08/93/360460893.db2.gz HRIVGHMRMQKNNF-JTNHKYCSSA-N 0 0 213.346 2.475 10 30 BEEERN Cc1cc(C)c(C(=O)C2=COCC2)cn1 ZINC000306574170 360463222 /nfs/dbraw/zinc/46/32/22/360463222.db2.gz IADDAQUROOAIML-UHFFFAOYSA-N 0 0 203.241 2.185 10 30 BEEERN C[C@H](CCC(C)(C)C)OS(C)(=O)=O ZINC000306601055 360528233 /nfs/dbraw/zinc/52/82/33/360528233.db2.gz JOCZJHQNMCFVBW-MRVPVSSYSA-N 0 0 208.323 2.177 10 30 BEEERN NC(=O)c1cccc(/C=C/C(=O)c2ccco2)c1 ZINC000013807933 181301834 /nfs/dbraw/zinc/30/18/34/181301834.db2.gz KGDWOFCVTQYMIH-VOTSOKGWSA-N 0 0 241.246 2.275 10 30 BEEERN Cc1cc(Br)cn2cc(C#N)nc12 ZINC000036226530 360740946 /nfs/dbraw/zinc/74/09/46/360740946.db2.gz NCOCBHLKDXQBPO-UHFFFAOYSA-N 0 0 236.072 2.277 10 30 BEEERN CCOC(=O)c1c(C#N)ccc(F)c1F ZINC000238300682 360790638 /nfs/dbraw/zinc/79/06/38/360790638.db2.gz APXIOZTZEXJEHU-UHFFFAOYSA-N 0 0 211.167 2.013 10 30 BEEERN Cc1cc(C#N)cc(OC(F)(F)F)n1 ZINC000238479682 361098617 /nfs/dbraw/zinc/09/86/17/361098617.db2.gz ZTBGEBBXWPEFTG-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1nccc(OC(F)(F)F)c1F ZINC000238556795 361149658 /nfs/dbraw/zinc/14/96/58/361149658.db2.gz ASRDYHXJXGHPAS-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1cc(F)cnc1OC(F)(F)F ZINC000238583693 361160384 /nfs/dbraw/zinc/16/03/84/361160384.db2.gz NBPUIAFLPOMGRK-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1cc(N)cc(OC(F)(F)F)c1 ZINC000238655628 361171496 /nfs/dbraw/zinc/17/14/96/361171496.db2.gz AJIRSWNTRDLUDG-UHFFFAOYSA-N 0 0 216.162 2.233 10 30 BEEERN N#Cc1ccc(OC(F)(F)F)nc1CF ZINC000238696705 361179930 /nfs/dbraw/zinc/17/99/30/361179930.db2.gz LVMLPCIZAWGXJT-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1cc(CF)cc(OC(F)(F)F)n1 ZINC000238691636 361180079 /nfs/dbraw/zinc/18/00/79/361180079.db2.gz VTYJSONNEZTYJR-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN C#CCON[C@H]1CCCc2sccc21 ZINC000306618584 361194391 /nfs/dbraw/zinc/19/43/91/361194391.db2.gz SKDVSDVRNIHNEJ-JTQLQIEISA-N 0 0 207.298 2.280 10 30 BEEERN N#Cc1cccc(OC(F)(F)F)c1O ZINC000238726373 361372195 /nfs/dbraw/zinc/37/21/95/361372195.db2.gz CRXOIFDQMJEKFO-UHFFFAOYSA-N 0 0 203.119 2.162 10 30 BEEERN COc1c(CC#N)ccnc1OC(F)(F)F ZINC000381574860 361489070 /nfs/dbraw/zinc/48/90/70/361489070.db2.gz XYDGDTNNOJLXOR-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN NC1=C2C(=CC(=O)C[C@H]2c2ccccc2)N=N1 ZINC000072416501 181338006 /nfs/dbraw/zinc/33/80/06/181338006.db2.gz UAHCRQSACFQIGQ-JTQLQIEISA-N 0 0 225.251 2.263 10 30 BEEERN COc1cc2nc(Cl)[nH]c2cc1C#N ZINC000116402092 370767022 /nfs/dbraw/zinc/76/70/22/370767022.db2.gz MMDKBMVXVMFTAE-UHFFFAOYSA-N 0 0 207.620 2.097 10 30 BEEERN C=CCCCN(C)C(=O)[C@@](C)(C#N)CC ZINC000135978467 364454114 /nfs/dbraw/zinc/45/41/14/364454114.db2.gz FWJLXGXSNIKZMZ-GFCCVEGCSA-N 0 0 208.305 2.351 10 30 BEEERN CC[C@H]1CCCCCN1C(=O)[C@H](C)C#N ZINC000134805646 364413805 /nfs/dbraw/zinc/41/38/05/364413805.db2.gz XBCMHUUXVRYLOD-MNOVXSKESA-N 0 0 208.305 2.327 10 30 BEEERN C=CCc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000667942342 541433689 /nfs/dbraw/zinc/43/36/89/541433689.db2.gz DGOZSZXBBBMCNW-UHFFFAOYSA-N 0 0 221.212 2.110 10 30 BEEERN CCCCN(C)c1ccc(N)cc1C#N ZINC000041020204 168785689 /nfs/dbraw/zinc/78/56/89/168785689.db2.gz XJYSNUULGOYXIF-UHFFFAOYSA-N 0 0 203.289 2.377 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000192037752 365270385 /nfs/dbraw/zinc/27/03/85/365270385.db2.gz OVMOVNXXOTUMBQ-GHMZBOCLSA-N 0 0 248.301 2.307 10 30 BEEERN CCN(C)c1cc(C#N)ccc1C(C)=O ZINC000161391616 368143515 /nfs/dbraw/zinc/14/35/15/368143515.db2.gz CCWGACZDWNNOST-UHFFFAOYSA-N 0 0 202.257 2.217 10 30 BEEERN C[C@@H](COCc1ccccc1)OC[C@H]1CO1 ZINC000226013171 368368147 /nfs/dbraw/zinc/36/81/47/368368147.db2.gz SVDDAPVYOKSUTE-AAEUAGOBSA-N 0 0 222.284 2.007 10 30 BEEERN O=C1OCc2c1ccc([C@@H]1CO1)c2C1CC1 ZINC000113484631 368341645 /nfs/dbraw/zinc/34/16/45/368341645.db2.gz QCAFQNFWAOSVLK-NSHDSACASA-N 0 0 216.236 2.306 10 30 BEEERN O=CCc1c(F)cc(Br)cc1F ZINC000118149981 368413035 /nfs/dbraw/zinc/41/30/35/368413035.db2.gz WZVRTLDKMHIQRN-UHFFFAOYSA-N 0 0 235.027 2.469 10 30 BEEERN O=CCc1cccc(OCc2ccccc2)c1O ZINC000221263798 368416678 /nfs/dbraw/zinc/41/66/78/368416678.db2.gz KFOJQRSZXYRKKT-ZDUSSCGKSA-N 0 0 242.274 2.431 10 30 BEEERN O=C1c2cc3c(cc2C/C1=N\O)CCCC3 ZINC000034160538 368408313 /nfs/dbraw/zinc/40/83/13/368408313.db2.gz ABXQKSLQJHTNCR-WYMLVPIESA-N 0 0 215.252 2.134 10 30 BEEERN CC(=O)O[C@@H](C#N)[C@@H](C)c1ccccc1 ZINC000038672865 368409400 /nfs/dbraw/zinc/40/94/00/368409400.db2.gz QAXXLBCZQYIWPV-CABZTGNLSA-N 0 0 203.241 2.245 10 30 BEEERN C#CCN(CC)C(=O)N[C@@H](C)c1cccs1 ZINC000056555009 368471142 /nfs/dbraw/zinc/47/11/42/368471142.db2.gz AIDWRLDAEPXYCO-JTQLQIEISA-N 0 0 236.340 2.474 10 30 BEEERN C#CC(C)(C)Nc1ccccc1C(=O)OC ZINC000114523334 368943910 /nfs/dbraw/zinc/94/39/10/368943910.db2.gz GDXUELGEWSDCDL-UHFFFAOYSA-N 0 0 217.268 2.297 10 30 BEEERN N#C[C@H](NC1CCCC1)c1nccs1 ZINC000161430589 369014881 /nfs/dbraw/zinc/01/48/81/369014881.db2.gz JAIYUGIUTPBMJK-VIFPVBQESA-N 0 0 207.302 2.240 10 30 BEEERN CNC(=O)c1ccc2cc(C#N)ccc2c1 ZINC000090505261 368987143 /nfs/dbraw/zinc/98/71/43/368987143.db2.gz HFHRZQUNOHJAKY-UHFFFAOYSA-N 0 0 210.236 2.071 10 30 BEEERN Cc1nc(CN2CCCC[C@H]2C=O)cs1 ZINC000054238031 369062217 /nfs/dbraw/zinc/06/22/17/369062217.db2.gz KOGDWNATRLOQAH-NSHDSACASA-N 0 0 224.329 2.005 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NCc1ccns1 ZINC000404322288 369426759 /nfs/dbraw/zinc/42/67/59/369426759.db2.gz RNVQQYVXBANFQL-MWLCHTKSSA-N 0 0 221.329 2.315 10 30 BEEERN CCc1cc2c(cnn2C(C)=O)cc1C#N ZINC000117721825 370959484 /nfs/dbraw/zinc/95/94/84/370959484.db2.gz BRSNNQDEWWBPJU-UHFFFAOYSA-N 0 0 213.240 2.130 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCS1 ZINC000260007100 370964633 /nfs/dbraw/zinc/96/46/33/370964633.db2.gz VDJRWACAJLTMEA-HBNTYKKESA-N 0 0 238.356 2.081 10 30 BEEERN CCOC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000250505663 369537925 /nfs/dbraw/zinc/53/79/25/369537925.db2.gz MHZKNOCBMYXLSP-SRVKXCTJSA-N 0 0 210.321 2.083 10 30 BEEERN N#Cc1c(-c2cnccn2)n[nH]c1C1CCC1 ZINC000409441396 369977989 /nfs/dbraw/zinc/97/79/89/369977989.db2.gz RSFOAAVRZHTJLN-UHFFFAOYSA-N 0 0 225.255 2.006 10 30 BEEERN Cc1cc(C)nc(N[C@H]2CCC[C@@H]2C#N)n1 ZINC000309912248 370275206 /nfs/dbraw/zinc/27/52/06/370275206.db2.gz NJDCDTPZFCJLBX-MNOVXSKESA-N 0 0 216.288 2.198 10 30 BEEERN N#Cc1ccc(-c2nc(CC3CCC3)no2)nc1 ZINC000310702617 370362040 /nfs/dbraw/zinc/36/20/40/370362040.db2.gz XFVTYHIBPRQWMK-UHFFFAOYSA-N 0 0 240.266 2.346 10 30 BEEERN CCc1cc(OC)c(OC)cc1CC#N ZINC000215267456 370384553 /nfs/dbraw/zinc/38/45/53/370384553.db2.gz IVYGGLFCSOEHDS-UHFFFAOYSA-N 0 0 205.257 2.332 10 30 BEEERN O=C1OCc2cc([C@H]3CO3)c(C3CC3)cc21 ZINC000113516054 370418340 /nfs/dbraw/zinc/41/83/40/370418340.db2.gz XCTPTPZMLBKTAA-GFCCVEGCSA-N 0 0 216.236 2.306 10 30 BEEERN NC(=S)NN=Cc1ccc2ccccc2c1 ZINC000013114189 371008389 /nfs/dbraw/zinc/00/83/89/371008389.db2.gz YGAUDXIKISOSGC-UHFFFAOYSA-N 0 0 229.308 2.007 10 30 BEEERN CCCCN(CC)c1ccc(/C(N)=N/O)cc1 ZINC000019865773 168804482 /nfs/dbraw/zinc/80/44/82/168804482.db2.gz NOYZOPCQULFGKQ-UHFFFAOYSA-N 0 0 235.331 2.408 10 30 BEEERN C#CC[C@@H](NN)c1cc(Cl)ccc1C ZINC000126742949 371549207 /nfs/dbraw/zinc/54/92/07/371549207.db2.gz BWLNJMMYWDDGOU-LLVKDONJSA-N 0 0 208.692 2.176 10 30 BEEERN N#CCc1ccc(O)cc1Br ZINC000215609345 371596054 /nfs/dbraw/zinc/59/60/54/371596054.db2.gz PLMYALKSKPLSBW-UHFFFAOYSA-N 0 0 212.046 2.221 10 30 BEEERN C[C@@H](S[C@H]1CCC[C@@H](C)C1)/C(N)=N/O ZINC000227411043 371859267 /nfs/dbraw/zinc/85/92/67/371859267.db2.gz WIHYKKZPYNFNEC-HLTSFMKQSA-N 0 0 216.350 2.433 10 30 BEEERN C=CC(=O)c1occc1Br ZINC000230278018 371882208 /nfs/dbraw/zinc/88/22/08/371882208.db2.gz IWJQYPHLDZFVSB-UHFFFAOYSA-N 0 0 201.019 2.411 10 30 BEEERN CC(C)(C)OCCOc1cccnc1C#N ZINC000132679604 371891204 /nfs/dbraw/zinc/89/12/04/371891204.db2.gz QYZIMTQPLIVIOM-UHFFFAOYSA-N 0 0 220.272 2.147 10 30 BEEERN C#CC[C@@H](O)c1cc(Br)ccc1N ZINC000132765979 371917961 /nfs/dbraw/zinc/91/79/61/371917961.db2.gz JVSPJEQTNHVDSG-SNVBAGLBSA-N 0 0 240.100 2.088 10 30 BEEERN O=[N+]([O-])c1ccc(/C=N/N2CCCCC2)cc1 ZINC000003245722 371927604 /nfs/dbraw/zinc/92/76/04/371927604.db2.gz QPQGLLKEELQLMD-JLHYYAGUSA-N 0 0 233.271 2.415 10 30 BEEERN CC(C)(C)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000003254605 371930989 /nfs/dbraw/zinc/93/09/89/371930989.db2.gz MYFPSYXIQIUHBK-XYOKQWHBSA-N 0 0 221.260 2.317 10 30 BEEERN C[C@H](C#N)[S@](=O)c1ccc(F)c(Cl)c1 ZINC000227964637 371965693 /nfs/dbraw/zinc/96/56/93/371965693.db2.gz KZMNMIIHWGVVRB-RCNPXXIZSA-N 0 0 231.679 2.499 10 30 BEEERN N#CC1(c2cccs2)CC2(COC2)C1 ZINC000228058340 371983474 /nfs/dbraw/zinc/98/34/74/371983474.db2.gz BBHFAEPXHPPADH-UHFFFAOYSA-N 0 0 205.282 2.320 10 30 BEEERN N#C[C@H](CO)Cc1ccc(F)c(Cl)c1 ZINC000231076264 371990060 /nfs/dbraw/zinc/99/00/60/371990060.db2.gz CEPMCEBBYGQEDJ-MRVPVSSYSA-N 0 0 213.639 2.154 10 30 BEEERN C=C(Cl)CNc1ncncc1Cl ZINC000163646307 372023868 /nfs/dbraw/zinc/02/38/68/372023868.db2.gz OSNJYUDGJVDCON-UHFFFAOYSA-N 0 0 204.060 2.294 10 30 BEEERN CC#CC[C@H](O)[C@@H]1SCCS[C@H]1CC ZINC000228278774 372010564 /nfs/dbraw/zinc/01/05/64/372010564.db2.gz CFUKAZFXZWOWTO-DCAQKATOSA-N 0 0 230.398 2.388 10 30 BEEERN C#C[C@@H](NCC)c1ncccc1Br ZINC000133255360 372012009 /nfs/dbraw/zinc/01/20/09/372012009.db2.gz RFCURCOLVUXLEV-SECBINFHSA-N 0 0 239.116 2.128 10 30 BEEERN C#CC[C@H](C)Nc1cnc(Br)cn1 ZINC000307271646 372106536 /nfs/dbraw/zinc/10/65/36/372106536.db2.gz RQJGOTCUNSSADT-ZETCQYMHSA-N 0 0 240.104 2.063 10 30 BEEERN CC[C@H](S)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000307321293 372110272 /nfs/dbraw/zinc/11/02/72/372110272.db2.gz QDPRKHUWDHPYDU-GUBZILKMSA-N 0 0 215.362 2.390 10 30 BEEERN O=C(C#CBr)NCCC1CCCC1 ZINC000307324805 372111179 /nfs/dbraw/zinc/11/11/79/372111179.db2.gz KTDQJAIOGSCDPI-UHFFFAOYSA-N 0 0 244.132 2.039 10 30 BEEERN C=C(Br)CNc1cnc(C)c(C)n1 ZINC000229070684 372114384 /nfs/dbraw/zinc/11/43/84/372114384.db2.gz KZJMTGUUAGWOFV-UHFFFAOYSA-N 0 0 242.120 2.414 10 30 BEEERN CC[C@H](S)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000307243145 372101913 /nfs/dbraw/zinc/10/19/13/372101913.db2.gz JWLKQLHCTLAMTB-AEJSXWLSSA-N 0 0 215.362 2.390 10 30 BEEERN N#Cc1ccc(Br)c(F)c1[N+](=O)[O-] ZINC000307663469 372138091 /nfs/dbraw/zinc/13/80/91/372138091.db2.gz ZWQGKJSMLCIXEL-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN C=CCOc1ccccc1C(=O)N[C@H]1C[C@@H]1C ZINC000171053753 372280397 /nfs/dbraw/zinc/28/03/97/372280397.db2.gz XHBDQBPPIIAILV-JQWIXIFHSA-N 0 0 231.295 2.390 10 30 BEEERN N#CCc1c[nH]c2ncc(Br)cc12 ZINC000140167778 372528650 /nfs/dbraw/zinc/52/86/50/372528650.db2.gz NZOAWCDMILSUDN-UHFFFAOYSA-N 0 0 236.072 2.391 10 30 BEEERN N#Cc1nnc(-c2ccc(F)cc2)s1 ZINC000038841372 372788137 /nfs/dbraw/zinc/78/81/37/372788137.db2.gz XRZIFCHKTWSYAS-UHFFFAOYSA-N 0 0 205.217 2.216 10 30 BEEERN CCSc1cc(C)nc2c(C#N)ncn21 ZINC000038885903 372802628 /nfs/dbraw/zinc/80/26/28/372802628.db2.gz RSDUOYNOODEQFK-UHFFFAOYSA-N 0 0 218.285 2.021 10 30 BEEERN CCC(C)(C)N(CCC#N)C(=O)[C@@H](C)COC ZINC000189916510 259561397 /nfs/dbraw/zinc/56/13/97/259561397.db2.gz SEBAHDAJIWAAQA-NSHDSACASA-N 0 0 240.347 2.200 10 30 BEEERN N#Cc1ccc(-c2ccncc2C=O)cc1 ZINC000143032171 374127464 /nfs/dbraw/zinc/12/74/64/374127464.db2.gz VJKKJHWCLKIYJQ-UHFFFAOYSA-N 0 0 208.220 2.433 10 30 BEEERN C=CCOc1ccc(Br)cn1 ZINC000042390026 374267010 /nfs/dbraw/zinc/26/70/10/374267010.db2.gz LSVFKBDQZLKRJS-UHFFFAOYSA-N 0 0 214.062 2.409 10 30 BEEERN O=CC(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000079608511 182849602 /nfs/dbraw/zinc/84/96/02/182849602.db2.gz PYFYELMZFSBVEX-UHFFFAOYSA-N 0 0 228.247 2.429 10 30 BEEERN OCC#Cc1ccc(COCc2ccco2)cc1 ZINC000049619957 183032197 /nfs/dbraw/zinc/03/21/97/183032197.db2.gz URLSWJQJMCQXMO-UHFFFAOYSA-N 0 0 242.274 2.340 10 30 BEEERN OCC#Cc1cccc(OCc2ccncc2)c1 ZINC000037543916 183034060 /nfs/dbraw/zinc/03/40/60/183034060.db2.gz AYQKKDVUGAVLOB-UHFFFAOYSA-N 0 0 239.274 2.004 10 30 BEEERN Oc1ccc(/C=N/c2cccnc2)cc1O ZINC000033847169 183267490 /nfs/dbraw/zinc/26/74/90/183267490.db2.gz WTZSZNXNIMYWOV-VGOFMYFVSA-N 0 0 214.224 2.243 10 30 BEEERN Oc1ccc(/C=N/c2ccccn2)cc1O ZINC000100287237 183267828 /nfs/dbraw/zinc/26/78/28/183267828.db2.gz NNQCVSKIOYUXNW-RIYZIHGNSA-N 0 0 214.224 2.243 10 30 BEEERN CCCN(CC)c1ccc(N)cc1C#N ZINC000041020714 169134019 /nfs/dbraw/zinc/13/40/19/169134019.db2.gz VKKOPTYJAFZGRL-UHFFFAOYSA-N 0 0 203.289 2.377 10 30 BEEERN Oc1ccccc1/C=N/N1CCCCC1 ZINC000005506049 183299975 /nfs/dbraw/zinc/29/99/75/183299975.db2.gz CUNYLUGFCNJJDF-JLHYYAGUSA-N 0 0 204.273 2.212 10 30 BEEERN CCCNC1(C#N)Cc2ccccc2C1 ZINC000037374841 169254303 /nfs/dbraw/zinc/25/43/03/169254303.db2.gz CWATZNQWNPUINI-UHFFFAOYSA-N 0 0 200.285 2.047 10 30 BEEERN CCCN[C@@H](C#N)c1ccc2c(c1)CCO2 ZINC000037363934 169273152 /nfs/dbraw/zinc/27/31/52/169273152.db2.gz ICQBMQOSJKPSTG-LBPRGKRZSA-N 0 0 216.284 2.186 10 30 BEEERN CCCOCCOCC(=O)c1ccc(C#N)cc1 ZINC000104230174 169309921 /nfs/dbraw/zinc/30/99/21/169309921.db2.gz PNKKRRAKGNQMBA-UHFFFAOYSA-N 0 0 247.294 2.184 10 30 BEEERN CCCN[C@](C)(C#N)CN(C)CC1CCCC1 ZINC000104350951 169292217 /nfs/dbraw/zinc/29/22/17/169292217.db2.gz AVNHMRBXTBLULC-CQSZACIVSA-N 0 0 237.391 2.390 10 30 BEEERN CCCSc1ccccc1/C(N)=N/O ZINC000020077157 169341210 /nfs/dbraw/zinc/34/12/10/169341210.db2.gz CVUCCTAYOMRYAO-UHFFFAOYSA-N 0 0 210.302 2.283 10 30 BEEERN CCC[C@@H](C#N)C(=O)N[C@H](C)c1ccco1 ZINC000044822959 169342878 /nfs/dbraw/zinc/34/28/78/169342878.db2.gz NWHNBKQIQAJCSF-ZJUUUORDSA-N 0 0 220.272 2.397 10 30 BEEERN CCC[C@@H](C#N)C(=O)N[C@@H](C)c1ccco1 ZINC000044822957 169342941 /nfs/dbraw/zinc/34/29/41/169342941.db2.gz NWHNBKQIQAJCSF-UWVGGRQHSA-N 0 0 220.272 2.397 10 30 BEEERN CCC[C@@H](C#N)NC(=O)Nc1cccc(C#N)c1 ZINC000040220826 169343296 /nfs/dbraw/zinc/34/32/96/169343296.db2.gz QIILAMSCAGZLNV-LBPRGKRZSA-N 0 0 242.282 2.372 10 30 BEEERN CCC[C@@H](C)N(C)c1c(C#N)c(C)nn1C ZINC000104304620 169366404 /nfs/dbraw/zinc/36/64/04/169366404.db2.gz ZHSXJNLHSKHAMN-SECBINFHSA-N 0 0 220.320 2.225 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]1(C)C=O ZINC000098095986 166665061 /nfs/dbraw/zinc/66/50/61/166665061.db2.gz WFKBTVBJRXEGPV-SKDRFNHKSA-N 0 0 227.304 2.269 10 30 BEEERN CCC[C@H]1C[C@H]1Nc1nc(C)cc(C#N)n1 ZINC000233437183 169539356 /nfs/dbraw/zinc/53/93/56/169539356.db2.gz VJUREKSLVHMZMT-GXSJLCMTSA-N 0 0 216.288 2.257 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1Cc2ccccc21 ZINC000227482714 259632293 /nfs/dbraw/zinc/63/22/93/259632293.db2.gz XAQGBABUWNHAAR-YUTCNCBUSA-N 0 0 240.306 2.135 10 30 BEEERN CCN(C(=O)c1cccc(C#N)c1)[C@@H](C)COC ZINC000045532998 169658788 /nfs/dbraw/zinc/65/87/88/169658788.db2.gz ATWBUTUARRNXCW-NSHDSACASA-N 0 0 246.310 2.055 10 30 BEEERN C#CCC(C)(C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000185394364 532990430 /nfs/dbraw/zinc/99/04/30/532990430.db2.gz FUWJQPVIYYMKLZ-QWHCGFSZSA-N 0 0 249.354 2.206 10 30 BEEERN Cc1cc(C#C[Si](C)(C)C)c(C#N)cn1 ZINC000197957732 383973466 /nfs/dbraw/zinc/97/34/66/383973466.db2.gz KKHATYRXGOQKKT-UHFFFAOYSA-N 0 0 214.344 2.491 10 30 BEEERN CC1(C)CC[C@H](n2cccc(C#N)c2=O)C1 ZINC000335057717 384012699 /nfs/dbraw/zinc/01/26/99/384012699.db2.gz PDHRMRZKFMWHBG-NSHDSACASA-N 0 0 216.284 2.471 10 30 BEEERN C#CCOc1cc(Br)ncc1C ZINC000307528182 384056493 /nfs/dbraw/zinc/05/64/93/384056493.db2.gz SURWTVLSTJSJAD-UHFFFAOYSA-N 0 0 226.073 2.165 10 30 BEEERN CC(=O)/C=C/c1cncc(Br)c1 ZINC000135136687 384057339 /nfs/dbraw/zinc/05/73/39/384057339.db2.gz NFFIAVYXHDFSSW-NSCUHMNNSA-N 0 0 226.073 2.446 10 30 BEEERN O=Cc1cncc(C#Cc2cccc(F)c2)c1 ZINC000116294914 384129368 /nfs/dbraw/zinc/12/93/68/384129368.db2.gz BJRLDNMUEFKCHP-UHFFFAOYSA-N 0 0 225.222 2.433 10 30 BEEERN O=C(/C=C/c1ccc2ccccc2c1)NO ZINC000027654302 384141513 /nfs/dbraw/zinc/14/15/13/384141513.db2.gz NJQJPKBDKOPBGI-SOFGYWHQSA-N 0 0 213.236 2.358 10 30 in-vivo BEEERN C[C@](N)(C#N)Cc1ccc(Br)cc1 ZINC000041281416 384185737 /nfs/dbraw/zinc/18/57/37/384185737.db2.gz SDMLEHWFXRFIST-SNVBAGLBSA-N 0 0 239.116 2.233 10 30 BEEERN C[C@@H]1COC[C@H](C)N1CC#Cc1ccccc1 ZINC000036450444 384239655 /nfs/dbraw/zinc/23/96/55/384239655.db2.gz BMJOSSOBHDPRMA-OKILXGFUSA-N 0 0 229.323 2.147 10 30 BEEERN C=C1CCCC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O ZINC000014587655 384245196 /nfs/dbraw/zinc/24/51/96/384245196.db2.gz UAZPGDNBPIYJFY-ONGSHHINSA-N 0 0 210.317 2.421 10 30 BEEERN CO[C@@H](C)CNc1cc(C)nc(C)c1C#N ZINC000224219502 384308955 /nfs/dbraw/zinc/30/89/55/384308955.db2.gz SHXQHMRJYCKOJH-VIFPVBQESA-N 0 0 219.288 2.017 10 30 BEEERN CCOc1cc(C#N)cc(CC#N)c1C ZINC000575646265 384280365 /nfs/dbraw/zinc/28/03/65/384280365.db2.gz DJXFGHRMCVVNGE-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1sccc1F ZINC000335570617 384335516 /nfs/dbraw/zinc/33/55/16/384335516.db2.gz VQHGSKUOKXSMLN-APPZFPTMSA-N 0 0 238.287 2.309 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235351652 384355349 /nfs/dbraw/zinc/35/53/49/384355349.db2.gz UQJXSILASPSPAL-WDSKDSINSA-N 0 0 243.719 2.257 10 30 BEEERN C#CCOc1ccccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000188066302 384359486 /nfs/dbraw/zinc/35/94/86/384359486.db2.gz FTWWOHAYBHEOSU-CMPLNLGQSA-N 0 0 244.294 2.229 10 30 BEEERN CCOc1cc(CC#N)c(O)c(OC(F)F)c1 ZINC000575656685 384368421 /nfs/dbraw/zinc/36/84/21/384368421.db2.gz LZXPKVRGMGXJSV-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN N#Cc1cc(OC(F)F)c(F)cc1[N+](=O)[O-] ZINC000575660835 384411290 /nfs/dbraw/zinc/41/12/90/384411290.db2.gz AEYOLIOSGBRRCY-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN C[C@@]12CC3=C(C[C@@H]1O2)C(=O)c1ccccc1C3=O ZINC000095934632 384413354 /nfs/dbraw/zinc/41/33/54/384413354.db2.gz GRJFXDOULGUCOW-SWLSCSKDSA-N 0 0 240.258 2.314 10 30 BEEERN Cc1cc(N2CCOC(C)(C)C2)c(C#N)c(C)n1 ZINC000157396428 384423042 /nfs/dbraw/zinc/42/30/42/384423042.db2.gz KPXCFZXZUSIRTD-UHFFFAOYSA-N 0 0 245.326 2.185 10 30 BEEERN COCCCN(C)c1cc(C)nc(C)c1C#N ZINC000157431007 384452133 /nfs/dbraw/zinc/45/21/33/384452133.db2.gz RLUIQKPHMMSGIR-UHFFFAOYSA-N 0 0 233.315 2.043 10 30 BEEERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C#N ZINC000151366845 384568182 /nfs/dbraw/zinc/56/81/82/384568182.db2.gz BKYVBQIPTNTYAK-DRZSPHRISA-N 0 0 228.295 2.127 10 30 BEEERN N#Cc1cccc([C@]2(O)CCCSC2)c1 ZINC000261350763 384623279 /nfs/dbraw/zinc/62/32/79/384623279.db2.gz MCKFYHWVPJTBPQ-LBPRGKRZSA-N 0 0 219.309 2.273 10 30 BEEERN C[C@H]1SCC[C@]1(O)c1ccccc1C#N ZINC000521400538 384628020 /nfs/dbraw/zinc/62/80/20/384628020.db2.gz AHDNYRPVQHLIIC-BXKDBHETSA-N 0 0 219.309 2.271 10 30 BEEERN COC(=O)C(Cl)=NNc1cccc(C)c1C ZINC000100333825 384633887 /nfs/dbraw/zinc/63/38/87/384633887.db2.gz XRPAMCIDDDDDJG-GXDHUFHOSA-N 0 0 240.690 2.441 10 30 BEEERN COc1ccc(OC)c([C@H](C)NCCC#N)c1 ZINC000020199693 384596552 /nfs/dbraw/zinc/59/65/52/384596552.db2.gz UMCHMNODCNTDEP-JTQLQIEISA-N 0 0 234.299 2.268 10 30 BEEERN C[C@@H](CC#N)NC(=O)C[C@H](C)C(C)(C)C ZINC000111617674 384672355 /nfs/dbraw/zinc/67/23/55/384672355.db2.gz CFPBXCRGXBXDKX-UWVGGRQHSA-N 0 0 210.321 2.477 10 30 BEEERN COc1cc(O)c(Br)cc1CC#N ZINC000575693051 384649539 /nfs/dbraw/zinc/64/95/39/384649539.db2.gz RSKWVPNRAXNERK-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN COc1cc(Br)c(O)cc1CC#N ZINC000575692781 384650867 /nfs/dbraw/zinc/65/08/67/384650867.db2.gz MKOLGYAHHLGXKC-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN CCOc1cc(F)cc([N+](=O)[O-])c1CC#N ZINC000575697968 384685805 /nfs/dbraw/zinc/68/58/05/384685805.db2.gz 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BEEERN COc1c(N)cc(CC#N)cc1C(F)(F)F ZINC000575716752 384878004 /nfs/dbraw/zinc/87/80/04/384878004.db2.gz LSZSNTSWVCZBBS-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN Cc1c(Br)cc(N)cc1CC#N ZINC000575714732 384864914 /nfs/dbraw/zinc/86/49/14/384864914.db2.gz MUVRAQPZNNQAAS-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN Cc1cc(N)c(CC#N)c(Br)c1 ZINC000575715088 384864946 /nfs/dbraw/zinc/86/49/46/384864946.db2.gz RCQWFNLZDWLFDA-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN N#CCc1cc(N)cc(C(F)(F)F)c1O ZINC000575719311 384891785 /nfs/dbraw/zinc/89/17/85/384891785.db2.gz PPRIWNWJIXSOIX-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN N#CCc1cc(C(F)(F)F)c([N+](=O)[O-])cc1N ZINC000575719937 384895055 /nfs/dbraw/zinc/89/50/55/384895055.db2.gz PJAWXLCKKOCLEI-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN CCc1cc([C@H](C#N)C(C)=O)ccc1OC ZINC000049816275 384902361 /nfs/dbraw/zinc/90/23/61/384902361.db2.gz YXNQUNMZRBWOEA-GFCCVEGCSA-N 0 0 217.268 2.454 10 30 BEEERN C[C@]1(F)CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000408045974 385011421 /nfs/dbraw/zinc/01/14/21/385011421.db2.gz AFJFBZNYBWEFIZ-LBPRGKRZSA-N 0 0 249.245 2.405 10 30 BEEERN N#Cc1cccnc1N1CCO[C@H]2CCCC[C@H]21 ZINC000227164115 385101441 /nfs/dbraw/zinc/10/14/41/385101441.db2.gz RYCJDAODYSBZMS-OLZOCXBDSA-N 0 0 243.310 2.101 10 30 BEEERN COc1cc(C#N)ccc1OC[C@@H](O)C(C)(C)C ZINC000282992292 385234155 /nfs/dbraw/zinc/23/41/55/385234155.db2.gz KHVSKNQHCCMEFK-CYBMUJFWSA-N 0 0 249.310 2.353 10 30 BEEERN COc1cc(C#N)ccc1OC[C@H](O)C(C)(C)C ZINC000282992299 385234199 /nfs/dbraw/zinc/23/41/99/385234199.db2.gz KHVSKNQHCCMEFK-ZDUSSCGKSA-N 0 0 249.310 2.353 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)N(C)c2ccccc2C#N)O1 ZINC000158201594 385260639 /nfs/dbraw/zinc/26/06/39/385260639.db2.gz MNZHKNAWFROPIE-ZWNOBZJWSA-N 0 0 244.294 2.089 10 30 BEEERN CC(C)(C)OC(=O)N1C[C@H](C=O)CC(F)(F)C1 ZINC000257900526 385508371 /nfs/dbraw/zinc/50/83/71/385508371.db2.gz HQAKZHMARLSPSG-MRVPVSSYSA-N 0 0 249.257 2.078 10 30 BEEERN Cc1ccc(C#N)c(Br)c1O ZINC000258003738 385520733 /nfs/dbraw/zinc/52/07/33/385520733.db2.gz HMIUELSDHZTJKI-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN CC(C)(CS)CN1CCC(C)(C)C1=O ZINC000306713370 385595703 /nfs/dbraw/zinc/59/57/03/385595703.db2.gz VNNDZFIWOPWKRB-UHFFFAOYSA-N 0 0 215.362 2.201 10 30 BEEERN Cc1sc(CC#N)nc1[C@@H]1CCOC1 ZINC000260056532 385660557 /nfs/dbraw/zinc/66/05/57/385660557.db2.gz FASVZZOIYZQMAB-MRVPVSSYSA-N 0 0 208.286 2.022 10 30 BEEERN C[C@H]1CC[C@]2(CCN(c3nccc(C#N)n3)C2)C1 ZINC000408457624 385708326 /nfs/dbraw/zinc/70/83/26/385708326.db2.gz PSOILBFCUWWBET-FZMZJTMJSA-N 0 0 242.326 2.365 10 30 BEEERN CCOC(=O)Cc1cc(C)c(C)c(C#N)c1 ZINC000260198976 385748768 /nfs/dbraw/zinc/74/87/68/385748768.db2.gz QHLXJWDPJWIEMX-UHFFFAOYSA-N 0 0 217.268 2.281 10 30 BEEERN CCC(C)(C)NC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000336620902 385786686 /nfs/dbraw/zinc/78/66/86/385786686.db2.gz QGRQKKLVVPYQBX-ZJUUUORDSA-N 0 0 223.320 2.166 10 30 BEEERN CC[C@@H]1CCCCN1c1nccc(C#N)n1 ZINC000231896695 385856512 /nfs/dbraw/zinc/85/65/12/385856512.db2.gz 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0 0 230.315 2.126 10 30 BEEERN CC(C)c1nccc(N[C@@H]2CCC[C@H]2C#N)n1 ZINC000408331754 386095019 /nfs/dbraw/zinc/09/50/19/386095019.db2.gz ZKPRZTPHMFHYOQ-WDEREUQCSA-N 0 0 230.315 2.126 10 30 BEEERN Cc1cc(C)c2ccnc(C(N)=NO)c2c1C ZINC000521401403 386459913 /nfs/dbraw/zinc/45/99/13/386459913.db2.gz PMHJMMXJJMOUMQ-UHFFFAOYSA-N 0 0 229.283 2.255 10 30 BEEERN Cc1occc1CN(C)C1=CC(=O)CC1 ZINC000160212270 386645617 /nfs/dbraw/zinc/64/56/17/386645617.db2.gz FUCCWJCJQQKAFW-UHFFFAOYSA-N 0 0 205.257 2.267 10 30 BEEERN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)C(C)C ZINC000187863252 386654298 /nfs/dbraw/zinc/65/42/98/386654298.db2.gz QPXCAXFSTGZNHV-AAEUAGOBSA-N 0 0 227.348 2.376 10 30 BEEERN COC(=O)c1ccc(C(F)F)c(C#N)c1OC ZINC000575343642 386690464 /nfs/dbraw/zinc/69/04/64/386690464.db2.gz UQUUIQMRVBVFLD-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1cc(C(F)F)c(OC)cc1C#N ZINC000575343517 386690508 /nfs/dbraw/zinc/69/05/08/386690508.db2.gz CQMXWFDVKMWRNB-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN CCOC(=O)Cc1cc(F)cc(CC)c1C#N ZINC000575344435 386691509 /nfs/dbraw/zinc/69/15/09/386691509.db2.gz JPWGSCQUSYVMMK-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN CCOC(=O)Cc1cc(CC)c(C#N)cc1F ZINC000575344446 386691949 /nfs/dbraw/zinc/69/19/49/386691949.db2.gz RJHPTCMKAZBAOS-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN CCOC(=O)Cc1cc(F)c(CC)c(C#N)c1 ZINC000575344427 386692311 /nfs/dbraw/zinc/69/23/11/386692311.db2.gz FETFQFDQAGMCJH-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN C=C(Cl)CNc1cc(C#N)ncc1C ZINC000307584206 386735334 /nfs/dbraw/zinc/73/53/34/386735334.db2.gz HMFATOUZYNAOLM-UHFFFAOYSA-N 0 0 207.664 2.426 10 30 BEEERN CC(=O)OC(C)(C)C(=O)c1ccc(C#N)cc1 ZINC000575361973 386729415 /nfs/dbraw/zinc/72/94/15/386729415.db2.gz WXEZQADKWYXSCL-UHFFFAOYSA-N 0 0 231.251 2.083 10 30 BEEERN CC(=O)OC(C)(C)C(=O)c1ccc(F)c(C#N)c1 ZINC000575361799 386762783 /nfs/dbraw/zinc/76/27/83/386762783.db2.gz IKBTUQXUSCQVIM-UHFFFAOYSA-N 0 0 249.241 2.222 10 30 BEEERN CS[C@H]1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC000125779184 386916244 /nfs/dbraw/zinc/91/62/44/386916244.db2.gz ROVFWUQWYCTQDA-WPRPVWTQSA-N 0 0 234.328 2.044 10 30 BEEERN CCS[C@H]1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC000125943075 386919165 /nfs/dbraw/zinc/91/91/65/386919165.db2.gz AAHDNVPIFQBEGN-KOLCDFICSA-N 0 0 248.355 2.434 10 30 BEEERN COC(=O)c1cc(OC(F)F)c(F)cc1C#N ZINC000575385675 386946548 /nfs/dbraw/zinc/94/65/48/386946548.db2.gz DCBWIBFCAASVSA-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)Cc1ccc(F)c(C(F)F)c1C#N ZINC000575389376 386953183 /nfs/dbraw/zinc/95/31/83/386953183.db2.gz DAXRHSAMTRQRBA-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN COC(=O)c1c(C)ccc(C#N)c1OC(F)F ZINC000575388816 386953454 /nfs/dbraw/zinc/95/34/54/386953454.db2.gz VYQHEEABOKKOAW-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN CCOC(=O)c1cc(C#N)c(CC)c([N+](=O)[O-])c1 ZINC000575389015 386953593 /nfs/dbraw/zinc/95/35/93/386953593.db2.gz QSIHPAOENASBPR-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOC(=O)c1cc(C#N)c(CC)cc1OC ZINC000575388015 386958060 /nfs/dbraw/zinc/95/80/60/386958060.db2.gz MHVYXZMNKQAUPD-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CCOC(=O)c1cc(C#N)cc(OC)c1CC ZINC000575388031 386958224 /nfs/dbraw/zinc/95/82/24/386958224.db2.gz NKDLPKYXPAKJRU-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CCOC(=O)Cc1cc(C#N)c(CC)cc1OC ZINC000575388051 386959010 /nfs/dbraw/zinc/95/90/10/386959010.db2.gz PIGRTGWXOPZXEW-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN C[C@H]1C[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186526068 386994651 /nfs/dbraw/zinc/99/46/51/386994651.db2.gz NUTJZSDBYPHIER-GWCFXTLKSA-N 0 0 240.306 2.114 10 30 BEEERN CCOC(=O)Cc1cc(CC)cc(C#N)c1C=O ZINC000575387731 386949229 /nfs/dbraw/zinc/94/92/29/386949229.db2.gz QYGNMZLZTDIESS-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)Cc1cc(C=O)cc(C#N)c1CC ZINC000575387506 386949289 /nfs/dbraw/zinc/94/92/89/386949289.db2.gz ANWOURPZTQDTKO-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)c1cc(CC)cc(C#N)c1[N+](=O)[O-] ZINC000575388765 386950820 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UNBMDALWEVXRRS-ZDUSSCGKSA-N 0 0 247.342 2.149 10 30 BEEERN C#CCN(C)c1cccc(F)c1C(C)=O ZINC000130213729 387967787 /nfs/dbraw/zinc/96/77/87/387967787.db2.gz WMMLXPVNZJYAJH-UHFFFAOYSA-N 0 0 205.232 2.098 10 30 BEEERN CC(C)C[S@](=O)[C@@H]1CCCC[C@H]1C#N ZINC000250560103 388177469 /nfs/dbraw/zinc/17/74/69/388177469.db2.gz HMODMIAGBFBCHR-WDMOLILDSA-N 0 0 213.346 2.473 10 30 BEEERN C[C@@H]1[C@@H](O)CCCN1Cc1cc(C#N)ccc1F ZINC000296271800 388601213 /nfs/dbraw/zinc/60/12/13/388601213.db2.gz OKXGJXMYCXAOCB-YGRLFVJLSA-N 0 0 248.301 2.043 10 30 BEEERN Cc1cc(N(C)C[C@H]2CCOC2)c(C#N)c(C)n1 ZINC000301676602 388614127 /nfs/dbraw/zinc/61/41/27/388614127.db2.gz QEZUVOBGLLSKBQ-GFCCVEGCSA-N 0 0 245.326 2.043 10 30 BEEERN C[C@@H]1SCC[C@@]1(O)c1cccc(C#N)c1 ZINC000521401562 388671984 /nfs/dbraw/zinc/67/19/84/388671984.db2.gz JBCFWRDTCPEFJB-CABZTGNLSA-N 0 0 219.309 2.271 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cn1 ZINC000230057692 388632577 /nfs/dbraw/zinc/63/25/77/388632577.db2.gz LUMISOJPJGQSDM-KOLCDFICSA-N 0 0 229.283 2.328 10 30 BEEERN N#Cc1ccc(C(=O)NCC2CCCCC2)nc1 ZINC000111275744 388659372 /nfs/dbraw/zinc/65/93/72/388659372.db2.gz ZQVUUOVJTQGKCX-UHFFFAOYSA-N 0 0 243.310 2.263 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000075981703 388663288 /nfs/dbraw/zinc/66/32/88/388663288.db2.gz WFQLXBYHWUBWAG-MFKMUULPSA-N 0 0 243.310 2.108 10 30 BEEERN C=CCCCN(C)C(=O)N[C@@H](COC)C1CC1 ZINC000127222507 388718964 /nfs/dbraw/zinc/71/89/64/388718964.db2.gz FFVBBTKYPVSLSZ-LBPRGKRZSA-N 0 0 240.347 2.019 10 30 BEEERN N#Cc1ccc(-c2ccc(O)cn2)s1 ZINC000156618621 388815371 /nfs/dbraw/zinc/81/53/71/388815371.db2.gz PDFPRCACJQBSFI-UHFFFAOYSA-N 0 0 202.238 2.387 10 30 BEEERN N#Cc1ccc(Oc2c(F)cccc2F)nn1 ZINC000156653425 388817231 /nfs/dbraw/zinc/81/72/31/388817231.db2.gz MSWNOXMLKGCTMP-UHFFFAOYSA-N 0 0 233.177 2.419 10 30 BEEERN N#Cc1ccc(CC(=O)N2C[C@@H]3CCC[C@@H]32)cc1 ZINC000334909018 388826034 /nfs/dbraw/zinc/82/60/34/388826034.db2.gz JDTREXPSFIINKI-KBPBESRZSA-N 0 0 240.306 2.112 10 30 BEEERN CC1CC(C(=O)N2CCC(CC#N)CC2)C1 ZINC000541046532 388838144 /nfs/dbraw/zinc/83/81/44/388838144.db2.gz DIBKKLSDTHCKGO-UHFFFAOYSA-N 0 0 220.316 2.185 10 30 BEEERN C[C@@H]1CC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495967 388964835 /nfs/dbraw/zinc/96/48/35/388964835.db2.gz GTEKBENNOQBPHI-LDYMZIIASA-N 0 0 210.277 2.203 10 30 BEEERN C[C@@H]1CSC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496599 388974377 /nfs/dbraw/zinc/97/43/77/388974377.db2.gz PRYQFDXZLGHQGV-LDYMZIIASA-N 0 0 242.344 2.156 10 30 BEEERN CC(C)(C)OC(=O)N[C@]1(C#N)CC[C@H]2C[C@H]21 ZINC000575497494 388984995 /nfs/dbraw/zinc/98/49/95/388984995.db2.gz YFQRCTXSAJKSRH-SBMIAAHKSA-N 0 0 222.288 2.203 10 30 BEEERN C#C[C@@H](C)Nc1nc2cc(F)ccc2o1 ZINC000302400258 533235986 /nfs/dbraw/zinc/23/59/86/533235986.db2.gz KVONYFPQWVNNRP-SSDOTTSWSA-N 0 0 204.204 2.401 10 30 BEEERN C[C@H]1CN(c2cccc(F)c2C#N)C[C@H](C)O1 ZINC000049401438 132228268 /nfs/dbraw/zinc/22/82/68/132228268.db2.gz NEPPTASCFFSMPT-UWVGGRQHSA-N 0 0 234.274 2.311 10 30 BEEERN CN1C(=O)CCc2cc(CS)ccc21 ZINC000077300758 132235394 /nfs/dbraw/zinc/23/53/94/132235394.db2.gz XHPQLTLKSWIKLN-UHFFFAOYSA-N 0 0 207.298 2.025 10 30 BEEERN C[C@H]1CN(c2c(C#N)cccc2C#N)C[C@H](C)O1 ZINC000302449985 132263631 /nfs/dbraw/zinc/26/36/31/132263631.db2.gz PARPIJWQXMKQBL-QWRGUYRKSA-N 0 0 241.294 2.044 10 30 BEEERN N#Cc1ccc(N2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000369661997 132284392 /nfs/dbraw/zinc/28/43/92/132284392.db2.gz FOTUXRKHEHCAME-GXTWGEPZSA-N 0 0 228.295 2.173 10 30 BEEERN Cc1nc(N2CCS[C@@H](C)C2)ccc1C#N ZINC000291763814 132307627 /nfs/dbraw/zinc/30/76/27/132307627.db2.gz BGACFQFQJUYBAC-VIFPVBQESA-N 0 0 233.340 2.203 10 30 BEEERN C=CCNC(=O)N1CCCc2ccccc21 ZINC000021302813 132311722 /nfs/dbraw/zinc/31/17/22/132311722.db2.gz VQRJKHGAZRNMQB-UHFFFAOYSA-N 0 0 216.284 2.335 10 30 BEEERN Cc1ccc2c(c1)CCCN2C[C@H]1CO1 ZINC000019438425 132325089 /nfs/dbraw/zinc/32/50/89/132325089.db2.gz AFMOFYPKKAGCBX-LBPRGKRZSA-N 0 0 203.285 2.146 10 30 BEEERN C[C@H]1CCCN(c2ccc(C#N)cc2N)C1 ZINC000035674171 132339013 /nfs/dbraw/zinc/33/90/13/132339013.db2.gz LPGXZDQFWFCCLQ-JTQLQIEISA-N 0 0 215.300 2.377 10 30 BEEERN CC[C@H]1CO[C@@H](C)CN1c1ccc(C#N)cc1N ZINC000036131922 132340016 /nfs/dbraw/zinc/34/00/16/132340016.db2.gz MQLYKBJPDLAOJR-JQWIXIFHSA-N 0 0 245.326 2.144 10 30 BEEERN C[C@@H](C#N)CN1CCCc2c(N)cccc21 ZINC000037906245 132345480 /nfs/dbraw/zinc/34/54/80/132345480.db2.gz BZEGZXAZOHBTMW-JTQLQIEISA-N 0 0 215.300 2.181 10 30 BEEERN C[C@H](C#N)CN1CCCc2c(N)cccc21 ZINC000037906244 132345572 /nfs/dbraw/zinc/34/55/72/132345572.db2.gz BZEGZXAZOHBTMW-SNVBAGLBSA-N 0 0 215.300 2.181 10 30 BEEERN N#CCCCN1CCCc2c(N)cccc21 ZINC000037906195 132345590 /nfs/dbraw/zinc/34/55/90/132345590.db2.gz RZJIYYDJKBJRGI-UHFFFAOYSA-N 0 0 215.300 2.325 10 30 BEEERN CCCO[C@@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000042425004 132351699 /nfs/dbraw/zinc/35/16/99/132351699.db2.gz IAGNCLLKAUIYKU-CYBMUJFWSA-N 0 0 245.326 2.349 10 30 BEEERN CN(C)[C@@H](C#N)c1ccc2c(c1)CCCN2C ZINC000050287955 132358962 /nfs/dbraw/zinc/35/89/62/132358962.db2.gz OGELMIVTDSUCLB-AWEZNQCLSA-N 0 0 229.327 2.195 10 30 BEEERN Cc1cc(N2CCC[C@@H](C=O)C2)nc(C(C)C)n1 ZINC000054268831 132364083 /nfs/dbraw/zinc/36/40/83/132364083.db2.gz ZUQMOZWAXTWQCD-GFCCVEGCSA-N 0 0 247.342 2.324 10 30 BEEERN Cc1c([N+](=O)[O-])cccc1N1CCCC[C@H]1C=O ZINC000062724873 132388402 /nfs/dbraw/zinc/38/84/02/132388402.db2.gz BQLXZBIXHMRQQI-NSHDSACASA-N 0 0 248.282 2.461 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1C=CCC1 ZINC000408331289 133471037 /nfs/dbraw/zinc/47/10/37/133471037.db2.gz QJXRAJHAWFJQDE-SRVKXCTJSA-N 0 0 218.300 2.151 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)c1snnc1C1CC1 ZINC000329528528 133963675 /nfs/dbraw/zinc/96/36/75/133963675.db2.gz SSRBBQSWOGSTMS-VDTYLAMSSA-N 0 0 223.301 2.129 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCC(=O)c2cccn21 ZINC000329870240 133990502 /nfs/dbraw/zinc/99/05/02/133990502.db2.gz BHXMDVMGPUBBSQ-WCABBAIRSA-N 0 0 232.283 2.371 10 30 BEEERN C[C@@H]1OCC[C@@H]1NC(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000330011724 133993818 /nfs/dbraw/zinc/99/38/18/133993818.db2.gz JJSFYNDXUSDGFP-NAKRPEOUSA-N 0 0 239.315 2.126 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)NC[C@@H]1CC=CCC1 ZINC000330178076 133997559 /nfs/dbraw/zinc/99/75/59/133997559.db2.gz DKCFSXFOUDWEQN-IJLUTSLNSA-N 0 0 238.331 2.024 10 30 BEEERN C[C@@H](NC(=O)[C@@H](C)c1cncnc1)[C@@H]1CCCO1 ZINC000330304976 134001137 /nfs/dbraw/zinc/00/11/37/134001137.db2.gz QHRDYHVESIOZSW-UMNHJUIQSA-N 0 0 249.314 2.104 10 30 BEEERN N#Cc1cc(N[C@H]2CCc3ccccc32)ccn1 ZINC000335952525 134021928 /nfs/dbraw/zinc/02/19/28/134021928.db2.gz GXBZRFDAPLXADA-HNNXBMFYSA-N 0 0 235.290 2.475 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1(C#N)CCCCC1 ZINC000336080274 134075432 /nfs/dbraw/zinc/07/54/32/134075432.db2.gz FXZHHVMPUOQZFB-NWDGAFQWSA-N 0 0 245.326 2.269 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000333628350 134119898 /nfs/dbraw/zinc/11/98/98/134119898.db2.gz ZQPUFGALBLLXHJ-MOLYVOAJSA-N 0 0 232.327 2.231 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1cccc(F)c1F ZINC000021989437 134156613 /nfs/dbraw/zinc/15/66/13/134156613.db2.gz QIQFLMIKHCTQET-QMMMGPOBSA-N 0 0 225.194 2.135 10 30 BEEERN C=CCCC(=O)Nc1nc(COC)cs1 ZINC000115240859 134170950 /nfs/dbraw/zinc/17/09/50/134170950.db2.gz HNFODDBEHLMNOC-UHFFFAOYSA-N 0 0 226.301 2.194 10 30 BEEERN C=C(C)CN1CCC(=O)Nc2ccccc21 ZINC000118845989 134223468 /nfs/dbraw/zinc/22/34/68/134223468.db2.gz MDVRXVWOFLPUIZ-UHFFFAOYSA-N 0 0 216.284 2.411 10 30 BEEERN CC(C)[C@H](C#N)NC(=O)[C@@H]1CCC[C@H]1C ZINC000300240085 134228470 /nfs/dbraw/zinc/22/84/70/134228470.db2.gz HJJFORYXEFHOHV-MXWKQRLJSA-N 0 0 208.305 2.087 10 30 BEEERN C=CCCS(=O)(=O)N1C[C@H](C)CC[C@@H]1C ZINC000121127429 134231545 /nfs/dbraw/zinc/23/15/45/134231545.db2.gz LEJKKZSTISOJGA-MNOVXSKESA-N 0 0 231.361 2.013 10 30 BEEERN Cc1nc(C(=O)N[C@H](C)CC2CC2)ccc1C#N ZINC000171998702 134263961 /nfs/dbraw/zinc/26/39/61/134263961.db2.gz LMLBAJNRWOVOOC-SECBINFHSA-N 0 0 243.310 2.180 10 30 BEEERN Cc1cnc([C@@H](C)Nc2ncccc2C#N)o1 ZINC000226546909 134365987 /nfs/dbraw/zinc/36/59/87/134365987.db2.gz GEOCNWFVZBINIR-SECBINFHSA-N 0 0 228.255 2.423 10 30 BEEERN CC(C)[C@@H](C)CC(=O)N[C@@H](C#N)C1CC1 ZINC000108828937 134391853 /nfs/dbraw/zinc/39/18/53/134391853.db2.gz OOBQVCFHDKADKP-ONGXEEELSA-N 0 0 208.305 2.087 10 30 BEEERN C#CCCCCC(=O)N[C@H]1COc2ccccc21 ZINC000119757794 134602757 /nfs/dbraw/zinc/60/27/57/134602757.db2.gz XSDUFAKWYXFARA-ZDUSSCGKSA-N 0 0 243.306 2.430 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000131202654 134627778 /nfs/dbraw/zinc/62/77/78/134627778.db2.gz MAKOVQWCIMDHCI-SCZZXKLOSA-N 0 0 247.254 2.056 10 30 BEEERN Cn1ccc(COc2cccc(F)c2C#N)n1 ZINC000213160579 134629151 /nfs/dbraw/zinc/62/91/51/134629151.db2.gz VPNWXCUJCCPLFA-UHFFFAOYSA-N 0 0 231.230 2.010 10 30 BEEERN Cc1ccoc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061889152 134804482 /nfs/dbraw/zinc/80/44/82/134804482.db2.gz XGSZTOXUAPZPMA-ZJUUUORDSA-N 0 0 218.256 2.010 10 30 BEEERN COc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000061889258 134804730 /nfs/dbraw/zinc/80/47/30/134804730.db2.gz LKVVRULCOZSMOV-AAEUAGOBSA-N 0 0 244.294 2.117 10 30 BEEERN C=CCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000102232957 134805096 /nfs/dbraw/zinc/80/50/96/134805096.db2.gz PXAQPODIZKDOEL-NWDGAFQWSA-N 0 0 223.316 2.123 10 30 BEEERN C=CC[C@H]([NH2+]CC1CCC(C)CC1)C(=O)[O-] ZINC000336753783 134904249 /nfs/dbraw/zinc/90/42/49/134904249.db2.gz WQUHRVGSBATEIZ-MCIGGMRASA-N 0 0 225.332 2.432 10 30 BEEERN C=CCNC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000111432644 134967849 /nfs/dbraw/zinc/96/78/49/134967849.db2.gz HOHOVKIJDPLGSZ-GXFFZTMASA-N 0 0 230.311 2.405 10 30 BEEERN C[C@H](C#N)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000248732841 135020436 /nfs/dbraw/zinc/02/04/36/135020436.db2.gz QIFDGIBFUCEDFS-RISCZKNCSA-N 0 0 228.295 2.030 10 30 BEEERN C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000112047873 135026368 /nfs/dbraw/zinc/02/63/68/135026368.db2.gz BQLZKSYCQNEQOR-FZMZJTMJSA-N 0 0 242.322 2.284 10 30 BEEERN COc1ccc([C@@H]2C[C@@H](C)N(CC#N)C2)cc1 ZINC000076390306 135033190 /nfs/dbraw/zinc/03/31/90/135033190.db2.gz VHJQFFJQUFPYEY-DGCLKSJQSA-N 0 0 230.311 2.397 10 30 BEEERN CC(C)[C@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000122545760 135228003 /nfs/dbraw/zinc/22/80/03/135228003.db2.gz KATLCTGDKIEVSW-NSHDSACASA-N 0 0 220.316 2.185 10 30 BEEERN CCS[C@@H]1CC[C@H](Nc2nccnc2C#N)C1 ZINC000078586488 135395021 /nfs/dbraw/zinc/39/50/21/135395021.db2.gz RUPIWJMSYKMESV-VHSXEESVSA-N 0 0 248.355 2.434 10 30 BEEERN CC1(C(=O)N[C@@H]2CCC[C@H]2C#N)CCCC1 ZINC000093695677 135604333 /nfs/dbraw/zinc/60/43/33/135604333.db2.gz VFILGAVAZOLMGX-WDEREUQCSA-N 0 0 220.316 2.375 10 30 BEEERN CC1=CCCN(C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000335215340 135959145 /nfs/dbraw/zinc/95/91/45/135959145.db2.gz OFOHFIAGNMNTHX-RYUDHWBXSA-N 0 0 233.315 2.040 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1CC2(CCC2)C1 ZINC000335548236 136097211 /nfs/dbraw/zinc/09/72/11/136097211.db2.gz NELGPAXKZMNFDP-JQWIXIFHSA-N 0 0 232.327 2.375 10 30 BEEERN C[C@@H](CC#N)NC(=O)c1cccc2ncccc21 ZINC000060941433 322858600 /nfs/dbraw/zinc/85/86/00/322858600.db2.gz VDMRIEAVDVZREV-JTQLQIEISA-N 0 0 239.278 2.267 10 30 BEEERN C=C=CC(=O)c1ncsc1Br ZINC000575478799 397958688 /nfs/dbraw/zinc/95/86/88/397958688.db2.gz GKCQLPPXHLZSIW-UHFFFAOYSA-N 0 0 230.086 2.112 10 30 BEEERN C=CCCC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000175726535 398045112 /nfs/dbraw/zinc/04/51/12/398045112.db2.gz YTIKLYHJFNOHDJ-JTQLQIEISA-N 0 0 241.331 2.141 10 30 BEEERN C#Cc1ccc(OCC2CC(C)C2)nc1 ZINC000606302741 398001962 /nfs/dbraw/zinc/00/19/62/398001962.db2.gz UBACXGKELVADHM-UHFFFAOYSA-N 0 0 201.269 2.488 10 30 BEEERN COC(=O)c1ncccc1C#C[Si](C)(C)C ZINC000169948494 398033072 /nfs/dbraw/zinc/03/30/72/398033072.db2.gz IZJVWNMPTBSJLO-UHFFFAOYSA-N 0 0 233.343 2.097 10 30 BEEERN O=[N+]([O-])c1ccc(C#CC#CCl)cc1 ZINC000584613848 398078041 /nfs/dbraw/zinc/07/80/41/398078041.db2.gz MQWFAHCHEYBGMT-UHFFFAOYSA-N 0 0 205.600 2.146 10 30 BEEERN N#CCC(=O)CCCc1ccc([N+](=O)[O-])cc1 ZINC000584639592 398084003 /nfs/dbraw/zinc/08/40/03/398084003.db2.gz MLGZTTARTXQSRW-UHFFFAOYSA-N 0 0 232.239 2.400 10 30 BEEERN Cc1cc(C=O)c(OC(F)F)c(CC#N)c1 ZINC000575661615 398055333 /nfs/dbraw/zinc/05/53/33/398055333.db2.gz NWOYEKJMZSEWAH-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN CC(C)(C)n1cc(CN[C@@H]2CCC[C@H]2C#N)cn1 ZINC000061892480 398107872 /nfs/dbraw/zinc/10/78/72/398107872.db2.gz PGXJLUZJNQBJDA-QWHCGFSZSA-N 0 0 246.358 2.420 10 30 BEEERN CC(C)(C)n1cc(CN[C@H]2CCC[C@@H]2C#N)cn1 ZINC000061892479 398108237 /nfs/dbraw/zinc/10/82/37/398108237.db2.gz PGXJLUZJNQBJDA-OLZOCXBDSA-N 0 0 246.358 2.420 10 30 BEEERN N#CCc1c(O)ccc(F)c1Br ZINC000260957123 398117437 /nfs/dbraw/zinc/11/74/37/398117437.db2.gz QHXYISQSCZDSRU-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN CC(C)N[C@](C)(C#N)CN1CCC[C@@H](C)[C@H]1C ZINC000050567074 167141524 /nfs/dbraw/zinc/14/15/24/167141524.db2.gz HMOUBQDEHZOOLI-MGPQQGTHSA-N 0 0 237.391 2.387 10 30 BEEERN CSc1cnc(C#N)c(OC2CC2)c1 ZINC000095732364 175585020 /nfs/dbraw/zinc/58/50/20/175585020.db2.gz HFYQOCLZQYUZIT-UHFFFAOYSA-N 0 0 206.270 2.216 10 30 BEEERN C#C/C=C1\C[C@H](Cc2ccccc2)C(=O)O1 ZINC000013526885 166109353 /nfs/dbraw/zinc/10/93/53/166109353.db2.gz AMHHHAMGMRFXJW-DTCSVVGVSA-N 0 0 212.248 2.309 10 30 BEEERN CC(C)Oc1ccc([C@H](C)C(=O)N(C)O)cc1 ZINC000026254193 167301493 /nfs/dbraw/zinc/30/14/93/167301493.db2.gz HINIMWBPFIPRGS-JTQLQIEISA-N 0 0 237.299 2.425 10 30 BEEERN Brc1ccc(NC2=NCCC2)nc1 ZINC000073647436 166097610 /nfs/dbraw/zinc/09/76/10/166097610.db2.gz XWENPJDZTFGOOJ-UHFFFAOYSA-N 0 0 240.104 2.258 10 30 BEEERN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1F ZINC000335284122 410330083 /nfs/dbraw/zinc/33/00/83/410330083.db2.gz COALGNNEGCBXGU-TZMCWYRMSA-N 0 0 243.285 2.479 10 30 BEEERN C#CCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173478832 166175100 /nfs/dbraw/zinc/17/51/00/166175100.db2.gz MYRRWDGANSCXMS-GFCCVEGCSA-N 0 0 246.310 2.458 10 30 BEEERN C#CC[NH2+][C@]1(C(=O)[O-])CCCC[C@H]1C(C)(C)C ZINC000041730604 166192316 /nfs/dbraw/zinc/19/23/16/166192316.db2.gz YZLXNNNZIXSCAJ-SMDDNHRTSA-N 0 0 237.343 2.269 10 30 BEEERN C#CCN[C@H](C#N)c1cc(C)sc1C ZINC000051963253 166192394 /nfs/dbraw/zinc/19/23/94/166192394.db2.gz IZOXMWGPYFGFOZ-LLVKDONJSA-N 0 0 204.298 2.152 10 30 BEEERN C#CCN[C@H](C(=O)OCC)c1ccc(CC)cc1 ZINC000051965006 166192828 /nfs/dbraw/zinc/19/28/28/166192828.db2.gz JPYAHBPRCZPMHD-AWEZNQCLSA-N 0 0 245.322 2.076 10 30 BEEERN C#CCn1cnc(-c2cc(F)ccc2F)c1N ZINC000103500537 166207573 /nfs/dbraw/zinc/20/75/73/166207573.db2.gz DCZUEUWKHPSTLE-UHFFFAOYSA-N 0 0 233.221 2.044 10 30 BEEERN C=CCN(CC=C)c1ccc(CO)cc1 ZINC000034956755 166336527 /nfs/dbraw/zinc/33/65/27/166336527.db2.gz YZUQWSKAMQXFSR-UHFFFAOYSA-N 0 0 203.285 2.357 10 30 BEEERN C=CCN(CC=C)Cc1ncccc1C(=O)OC ZINC000305979509 166336751 /nfs/dbraw/zinc/33/67/51/166336751.db2.gz RCQDAGQZAGWEPB-UHFFFAOYSA-N 0 0 246.310 2.042 10 30 BEEERN CCN(CC)C(=O)[C@]1(C)OC1(CC)CC ZINC000039101672 169759410 /nfs/dbraw/zinc/75/94/10/169759410.db2.gz HCESPLOAGAZMGG-NSHDSACASA-N 0 0 213.321 2.203 10 30 BEEERN C=CCNCC(=O)c1ccc(OCCC)cc1 ZINC000041613221 166398597 /nfs/dbraw/zinc/39/85/97/166398597.db2.gz LNLLADHHJAOVHH-UHFFFAOYSA-N 0 0 233.311 2.434 10 30 BEEERN CC(C)(C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104091641 166498924 /nfs/dbraw/zinc/49/89/24/166498924.db2.gz SRKHWCMKSKXKCF-HBNTYKKESA-N 0 0 220.316 2.089 10 30 BEEERN CC(C)(C)C(=O)NC1(C#N)CCCCC1 ZINC000040216379 166528202 /nfs/dbraw/zinc/52/82/02/166528202.db2.gz LZPVENIGMXGGDA-UHFFFAOYSA-N 0 0 208.305 2.375 10 30 BEEERN CC(C)(C)OCCOc1cccc(C#N)n1 ZINC000095347961 166683152 /nfs/dbraw/zinc/68/31/52/166683152.db2.gz OBDXBTZMORXUKL-UHFFFAOYSA-N 0 0 220.272 2.147 10 30 BEEERN C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](CC)CC1 ZINC000301049877 487619078 /nfs/dbraw/zinc/61/90/78/487619078.db2.gz SAGACKPRXTVBMV-WDEREUQCSA-N 0 0 211.305 2.138 10 30 BEEERN CC(C)NC(=S)N/N=C1\CCc2ccccc21 ZINC000005119992 167091825 /nfs/dbraw/zinc/09/18/25/167091825.db2.gz ARMRPFVPZXZZLZ-NTCAYCPXSA-N 0 0 247.367 2.209 10 30 BEEERN CC(C)N[C@@H](C#N)CCN1Cc2ccccc2C1 ZINC000062438816 167130936 /nfs/dbraw/zinc/13/09/36/167130936.db2.gz UOEIJLHNTMQICD-OAHLLOKOSA-N 0 0 243.354 2.282 10 30 BEEERN CC(C)OC(=O)Nc1ccc(N)cc1C#N ZINC000044238806 167166135 /nfs/dbraw/zinc/16/61/35/167166135.db2.gz YYERYGNRGBMQKW-UHFFFAOYSA-N 0 0 219.244 2.097 10 30 BEEERN CC(C)OCCOc1ccccc1C#CCCO ZINC000049260953 167248342 /nfs/dbraw/zinc/24/83/42/167248342.db2.gz YYCZZMPXFQQWJS-UHFFFAOYSA-N 0 0 248.322 2.224 10 30 BEEERN CC(C)[C@@H](C)N(C)c1ccc(/C(N)=N/O)cc1 ZINC000036787407 167371595 /nfs/dbraw/zinc/37/15/95/167371595.db2.gz XTENLDKOPPYDJG-SNVBAGLBSA-N 0 0 235.331 2.262 10 30 BEEERN C[Si](C)(C)C#CC#CCCCCCO ZINC000196589777 410953224 /nfs/dbraw/zinc/95/32/24/410953224.db2.gz XIDGUIILTIZILE-UHFFFAOYSA-N 0 0 208.377 2.423 10 30 BEEERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(C#N)cc1 ZINC000231692705 411186116 /nfs/dbraw/zinc/18/61/16/411186116.db2.gz OIGWTIWBRGEHLK-STQMWFEESA-N 0 0 228.295 2.477 10 30 BEEERN CC/C=C\C[C@H]1C(=O)C=C[C@@H]1CC(=O)OC ZINC000034504782 167861891 /nfs/dbraw/zinc/86/18/91/167861891.db2.gz 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VBESMMPAFXYURF-SNVBAGLBSA-N 0 0 246.314 2.282 10 30 BEEERN CCN[C@@](C)(C#N)COc1cc(F)ccc1F ZINC000071168363 170155200 /nfs/dbraw/zinc/15/52/00/170155200.db2.gz CKTCCBPMEHHAJD-LBPRGKRZSA-N 0 0 240.253 2.235 10 30 BEEERN CCN[C@H](C#N)CCOc1ccc(OCC)cc1 ZINC000062445341 170155800 /nfs/dbraw/zinc/15/58/00/170155800.db2.gz PLWWXSLGMVURFV-LBPRGKRZSA-N 0 0 248.326 2.356 10 30 BEEERN CCOC(=O)C(C)=NNc1ccc(OC)cc1 ZINC000015205370 170182291 /nfs/dbraw/zinc/18/22/91/170182291.db2.gz FILMOULYWLOUCM-LCYFTJDESA-N 0 0 236.271 2.046 10 30 BEEERN CCOC(=O)C12CCC(CC1)C[C@H]2C#N ZINC000005325212 170191499 /nfs/dbraw/zinc/19/14/99/170191499.db2.gz FFZYQOLZQAOCCX-YZRBJQDESA-N 0 0 207.273 2.270 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1ccc(CC)cc1 ZINC000002530184 170244457 /nfs/dbraw/zinc/24/44/57/170244457.db2.gz RLMQWANMVQNMKN-LBPRGKRZSA-N 0 0 217.268 2.419 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1c(F)cccc1F ZINC000090462710 170244727 /nfs/dbraw/zinc/24/47/27/170244727.db2.gz ZVRUFDCUSRATQM-ZETCQYMHSA-N 0 0 225.194 2.135 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1cccc(C)c1 ZINC000002530095 170244806 /nfs/dbraw/zinc/24/48/06/170244806.db2.gz OZDOHNGJQMZVKU-NSHDSACASA-N 0 0 203.241 2.165 10 30 BEEERN CCOC(=O)[C@@H](C)Nc1cccc(F)c1C#N ZINC000043637772 170248021 /nfs/dbraw/zinc/24/80/21/170248021.db2.gz OKMHGALTGXDTLC-MRVPVSSYSA-N 0 0 236.246 2.061 10 30 BEEERN CCOC(=O)[C@@H](C)Oc1ccc(C#N)cc1F ZINC000075881840 170248422 /nfs/dbraw/zinc/24/84/22/170248422.db2.gz KREZGBSMDMPWII-MRVPVSSYSA-N 0 0 237.230 2.028 10 30 BEEERN CCOC(=O)[C@](C)(C#N)c1ccccc1F ZINC000095829322 170282722 /nfs/dbraw/zinc/28/27/22/170282722.db2.gz BPAUZMQCSIBDRD-GFCCVEGCSA-N 0 0 221.231 2.170 10 30 BEEERN CCOC(=O)c1c[nH]c2cccc(C#N)c21 ZINC000299890326 170289578 /nfs/dbraw/zinc/28/95/78/170289578.db2.gz XVESZPSBAPYDDW-UHFFFAOYSA-N 0 0 214.224 2.216 10 30 BEEERN CCOC(=O)c1c[nH]c2ccc(C#N)cc21 ZINC000261239234 170289926 /nfs/dbraw/zinc/28/99/26/170289926.db2.gz ZAYHLBCTXQLJCS-UHFFFAOYSA-N 0 0 214.224 2.216 10 30 BEEERN CCOC(=O)c1cc2c(cccc2C#N)[nH]1 ZINC000199819216 170293252 /nfs/dbraw/zinc/29/32/52/170293252.db2.gz WNNIWIDWIHSDHK-UHFFFAOYSA-N 0 0 214.224 2.216 10 30 BEEERN CCOC(C#C[C@@H](O)c1ccccc1)OCC ZINC000072236491 170311684 /nfs/dbraw/zinc/31/16/84/170311684.db2.gz GZLWMAJAHRHXHJ-CYBMUJFWSA-N 0 0 234.295 2.123 10 30 BEEERN CCOC1=CC(=O)C12CCC(OC)CC2 ZINC000039099694 170319714 /nfs/dbraw/zinc/31/97/14/170319714.db2.gz HFXIGTTXJCKLFN-UHFFFAOYSA-N 0 0 210.273 2.065 10 30 BEEERN CCOc1ccccc1[C@H](C#N)NC1CC1 ZINC000020174757 170599448 /nfs/dbraw/zinc/59/94/48/170599448.db2.gz GMCWJUXLBGLDSK-LBPRGKRZSA-N 0 0 216.284 2.402 10 30 BEEERN CC[C@@H](C#N)Oc1ccccc1NC(C)=O ZINC000043557137 170660626 /nfs/dbraw/zinc/66/06/26/170660626.db2.gz UXVNCNYNBPUVTG-JTQLQIEISA-N 0 0 218.256 2.326 10 30 BEEERN CC[C@@H](C)NC(=O)[C@H](C)Oc1cccc(C#N)c1 ZINC000020363207 170746367 /nfs/dbraw/zinc/74/63/67/170746367.db2.gz BNMFBHNZJGNANQ-MNOVXSKESA-N 0 0 246.310 2.240 10 30 BEEERN CC[C@H](C#N)Nc1cccc(F)c1C#N ZINC000043540151 171219252 /nfs/dbraw/zinc/21/92/52/171219252.db2.gz WZGZYLOHGQVCJJ-MRVPVSSYSA-N 0 0 203.220 2.411 10 30 BEEERN CC[C@H](C#N)N[C@H]1CCOc2ccccc21 ZINC000051986886 171219827 /nfs/dbraw/zinc/21/98/27/171219827.db2.gz HYUFJQBAAQNROB-PWSUYJOCSA-N 0 0 216.284 2.402 10 30 BEEERN CC[C@H](C)C(=O)Nc1ccc(C#CCO)cc1 ZINC000037548575 171254256 /nfs/dbraw/zinc/25/42/56/171254256.db2.gz FQOLYRTYGIWMLL-NSHDSACASA-N 0 0 231.295 2.015 10 30 BEEERN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ccccc1C#N ZINC000037598709 171311447 /nfs/dbraw/zinc/31/14/47/171311447.db2.gz UWKUXKXKIUGMEH-NSHDSACASA-N 0 0 246.310 2.243 10 30 BEEERN CC[C@H](C)N(CCOC)c1ccc(C#N)cc1N ZINC000042578723 171315424 /nfs/dbraw/zinc/31/54/24/171315424.db2.gz IYLZYEGEJVJCIT-NSHDSACASA-N 0 0 247.342 2.392 10 30 BEEERN CC[C@H](C)N[C@@H](C#N)c1ccc(C(=O)OC)cc1 ZINC000038064475 171345205 /nfs/dbraw/zinc/34/52/05/171345205.db2.gz SMSNAUFNBJVESD-GWCFXTLKSA-N 0 0 246.310 2.426 10 30 BEEERN CC[C@H](C)N[C@H](C#N)c1ccc(O)cc1 ZINC000038064699 171347552 /nfs/dbraw/zinc/34/75/52/171347552.db2.gz CNQSXIVLARYUAX-JOYOIKCWSA-N 0 0 204.273 2.345 10 30 BEEERN CC[C@H](C)[C@@H](C)Nc1ncc(N)cc1C#N ZINC000042552690 171368023 /nfs/dbraw/zinc/36/80/23/171368023.db2.gz QXPASELYYOMMNG-DTWKUNHWSA-N 0 0 218.304 2.382 10 30 BEEERN CC[C@H](C)[C@H](C)N=C(NC#N)Nc1ccncc1 ZINC000026576314 171382723 /nfs/dbraw/zinc/38/27/23/171382723.db2.gz XQFFURSERZYVPP-QWRGUYRKSA-N 0 0 245.330 2.355 10 30 BEEERN CCn1c(C(=O)OC)cc2ccc(C#N)cc21 ZINC000039102791 172132962 /nfs/dbraw/zinc/13/29/62/172132962.db2.gz FORGCHYHUYDJEU-UHFFFAOYSA-N 0 0 228.251 2.319 10 30 BEEERN CCn1c(C)nnc1COc1ccc(C#N)cc1 ZINC000194655155 172141215 /nfs/dbraw/zinc/14/12/15/172141215.db2.gz WDTCRTVPGRGTGA-UHFFFAOYSA-N 0 0 242.282 2.057 10 30 BEEERN CCn1cc(/C=C\C(=O)c2ccc[nH]2)c(C)n1 ZINC000035656967 172150194 /nfs/dbraw/zinc/15/01/94/172150194.db2.gz RNHBOUYXSAZVNH-SREVYHEPSA-N 0 0 229.283 2.436 10 30 BEEERN CN(CCC#N)c1ccc(N)c2ncccc12 ZINC000035340468 172666140 /nfs/dbraw/zinc/66/61/40/172666140.db2.gz SXQWBOIDEGTGKW-UHFFFAOYSA-N 0 0 226.283 2.167 10 30 BEEERN CN1CCN([C@@H](C#N)c2ccccc2Cl)CC1 ZINC000019934378 173091590 /nfs/dbraw/zinc/09/15/90/173091590.db2.gz PENJLKUDNDGRQP-ZDUSSCGKSA-N 0 0 249.745 2.152 10 30 BEEERN CN[C@@H](C#N)COc1ccc2ccccc2c1 ZINC000019666364 173410572 /nfs/dbraw/zinc/41/05/72/173410572.db2.gz SMJABZHTDLEJQT-ZDUSSCGKSA-N 0 0 226.279 2.330 10 30 BEEERN CN[C@H](C#N)COc1cccc(C(C)C)c1 ZINC000019666206 173441255 /nfs/dbraw/zinc/44/12/55/173441255.db2.gz LNUWFBAPZVRHQJ-GFCCVEGCSA-N 0 0 218.300 2.300 10 30 BEEERN CO/N=C(/C)c1ccc([N+](=O)[O-])s1 ZINC000090367487 173491367 /nfs/dbraw/zinc/49/13/67/173491367.db2.gz RBEVERZOQIGERD-YVMONPNESA-N 0 0 200.219 2.027 10 30 BEEERN COCCC(=O)[C@H](C#N)c1ccc(C)cc1 ZINC000049816246 174139024 /nfs/dbraw/zinc/13/90/24/174139024.db2.gz VZHJQQCSPUTWMM-GFCCVEGCSA-N 0 0 217.268 2.208 10 30 BEEERN COc1cc(NCCCC#N)cc(OC)c1 ZINC000020046130 175001325 /nfs/dbraw/zinc/00/13/25/175001325.db2.gz CRHSOBVZXSGJMQ-UHFFFAOYSA-N 0 0 220.272 2.419 10 30 BEEERN COc1cc(OC)c(NCC#N)cc1Cl ZINC000020046738 175006999 /nfs/dbraw/zinc/00/69/99/175006999.db2.gz IHYOGDQQANBSBI-UHFFFAOYSA-N 0 0 226.663 2.293 10 30 BEEERN COc1cc(OC)cc([C@H](C#N)NCC2CC2)c1 ZINC000037946943 175011199 /nfs/dbraw/zinc/01/11/99/175011199.db2.gz QLFJXVASVOPAQQ-AWEZNQCLSA-N 0 0 246.310 2.268 10 30 BEEERN COc1cc(=O)oc([C@@H]2O[C@H]2c2ccccc2)c1 ZINC000013434409 175015544 /nfs/dbraw/zinc/01/55/44/175015544.db2.gz MLGUXXSGWWCJQW-KBPBESRZSA-N 0 0 244.246 2.461 10 30 in-vitro BEEERN COc1cc(=O)oc([C@H]2O[C@H]2c2ccccc2)c1 ZINC000013434408 175017523 /nfs/dbraw/zinc/01/75/23/175017523.db2.gz MLGUXXSGWWCJQW-UONOGXRCSA-N 0 0 244.246 2.461 10 30 BEEERN COc1cc2ccc(C#N)nc2cc1OC ZINC000062571420 175027174 /nfs/dbraw/zinc/02/71/74/175027174.db2.gz HPJZFZHZYKRGGD-UHFFFAOYSA-N 0 0 214.224 2.124 10 30 BEEERN COc1cc2ncc(C#N)c(Cl)c2cc1O ZINC000095937909 175027903 /nfs/dbraw/zinc/02/79/03/175027903.db2.gz VUEBXNBMTKMJQN-UHFFFAOYSA-N 0 0 234.642 2.474 10 30 BEEERN COc1ccc(C=CC(O)=CC(C)=O)cc1O ZINC000101398882 175047583 /nfs/dbraw/zinc/04/75/83/175047583.db2.gz RDHBLJWWNCVOCD-PGACXJNKSA-N 0 0 234.251 2.445 10 30 BEEERN COc1ccc(C=Nn2cnnc2N=[N+]=[N-])cc1 ZINC000059446041 175049305 /nfs/dbraw/zinc/04/93/05/175049305.db2.gz WHZOQWKETRQWOL-AWNIVKPZSA-N 0 0 243.230 2.111 10 30 BEEERN COc1ccc(C=Nn2c(C)n[nH]c2=S)cc1 ZINC000033305714 175050150 /nfs/dbraw/zinc/05/01/50/175050150.db2.gz NOQBWLUWAXRSBI-GHXNOFRVSA-N 0 0 248.311 2.140 10 30 BEEERN COc1ccc(C(=O)NC2(C#N)CCCC2)cc1 ZINC000038591128 175058438 /nfs/dbraw/zinc/05/84/38/175058438.db2.gz WQIXYSYYDMDFEH-UHFFFAOYSA-N 0 0 244.294 2.261 10 30 BEEERN COc1ccc(C(=O)[C@H](C)CC#N)cc1OC ZINC000033426659 175066098 /nfs/dbraw/zinc/06/60/98/175066098.db2.gz TYBKOSUGDIVOBO-SECBINFHSA-N 0 0 233.267 2.436 10 30 BEEERN COc1ccc(C)cc1C(=O)N[C@H](C)CC#N ZINC000050337152 175074086 /nfs/dbraw/zinc/07/40/86/175074086.db2.gz SSBBLSWYCXXWJB-SNVBAGLBSA-N 0 0 232.283 2.036 10 30 BEEERN COc1ccc(C)cc1Nc1nccnc1C#N ZINC000054379064 175079380 /nfs/dbraw/zinc/07/93/80/175079380.db2.gz QSJJATZLONBXMU-UHFFFAOYSA-N 0 0 240.266 2.409 10 30 BEEERN COc1ccc(C2=NO[C@H](CS)C2)cc1 ZINC000027443656 175085410 /nfs/dbraw/zinc/08/54/10/175085410.db2.gz NYXKUMCURCSMDL-JTQLQIEISA-N 0 0 223.297 2.118 10 30 BEEERN COc1ccc(C2=NO[C@@H](CS)C2)cc1 ZINC000027443651 175085604 /nfs/dbraw/zinc/08/56/04/175085604.db2.gz NYXKUMCURCSMDL-SNVBAGLBSA-N 0 0 223.297 2.118 10 30 BEEERN COc1ccc(C=O)cc1CN(C)[C@H](C)CC#N ZINC000063087580 175085934 /nfs/dbraw/zinc/08/59/34/175085934.db2.gz FDZMVOYBMADRJB-LLVKDONJSA-N 0 0 246.310 2.242 10 30 BEEERN COc1ccc(CC[C@@](C)(C#N)N(C)C)cc1 ZINC000037846626 175093315 /nfs/dbraw/zinc/09/33/15/175093315.db2.gz CJMCIHJIPCBHDF-AWEZNQCLSA-N 0 0 232.327 2.472 10 30 BEEERN COc1ccc(Cl)cc1C(=O)CS ZINC000057498062 175120062 /nfs/dbraw/zinc/12/00/62/175120062.db2.gz IRPMQRXOIICLRR-UHFFFAOYSA-N 0 0 216.689 2.461 10 30 BEEERN COc1ccc(N(C)C[C@H](C)C#N)cc1 ZINC000049812937 175136140 /nfs/dbraw/zinc/13/61/40/175136140.db2.gz MVPLHOODMHOOKD-SNVBAGLBSA-N 0 0 204.273 2.291 10 30 BEEERN COc1ccc(NC2(C#N)CCOCC2)cc1 ZINC000037936623 175149389 /nfs/dbraw/zinc/14/93/89/175149389.db2.gz IULJHAIJPYFTRQ-UHFFFAOYSA-N 0 0 232.283 2.180 10 30 BEEERN COc1ccc(N[C@H](C#N)c2cnn(C)c2)cc1 ZINC000037936608 175154949 /nfs/dbraw/zinc/15/49/49/175154949.db2.gz BWSCWMQJFPSABU-CYBMUJFWSA-N 0 0 242.282 2.105 10 30 BEEERN COc1ccc(OC)c(NC[C@H](C)C#N)c1 ZINC000032013633 175167504 /nfs/dbraw/zinc/16/75/04/175167504.db2.gz QYSYNFNZDNYQPL-SECBINFHSA-N 0 0 220.272 2.275 10 30 BEEERN COc1ccc(OC)c([C@H](C#N)NCC2CC2)c1 ZINC000037946911 175168933 /nfs/dbraw/zinc/16/89/33/175168933.db2.gz QWAIYIMBXIZZRZ-ZDUSSCGKSA-N 0 0 246.310 2.268 10 30 BEEERN COc1ccc2c(c1)[nH]cc2C(=O)CC#N ZINC000019772459 175203807 /nfs/dbraw/zinc/20/38/07/175203807.db2.gz DGSZFRCRLMDIEQ-UHFFFAOYSA-N 0 0 214.224 2.273 10 30 BEEERN COc1ccc2c(c1)CC/C2=N/OC(=O)N(C)C ZINC000017206775 175207949 /nfs/dbraw/zinc/20/79/49/175207949.db2.gz AEMGCEOYGMLJBQ-OWBHPGMISA-N 0 0 248.282 2.044 10 30 BEEERN COc1ccc2ccccc2c1[C@@H](N)C#N ZINC000037290111 175226727 /nfs/dbraw/zinc/22/67/27/175226727.db2.gz JCCJNRVAUNBBRG-NSHDSACASA-N 0 0 212.252 2.372 10 30 BEEERN COc1ccc2ncc(C#N)c(N(C)C)c2c1 ZINC000053994982 175229942 /nfs/dbraw/zinc/22/99/42/175229942.db2.gz QAJIHKBMOCBJCN-UHFFFAOYSA-N 0 0 227.267 2.181 10 30 BEEERN COc1cccc(N[C@@H](C#N)C2CC2)c1 ZINC000041047359 175278721 /nfs/dbraw/zinc/27/87/21/175278721.db2.gz PQAXPFKCPYDUAT-LBPRGKRZSA-N 0 0 202.257 2.409 10 30 BEEERN COc1cccc(Oc2ccc(C#N)cc2N)n1 ZINC000104112895 175285049 /nfs/dbraw/zinc/28/50/49/175285049.db2.gz HOJKCKZBUFEDIA-UHFFFAOYSA-N 0 0 241.250 2.336 10 30 BEEERN COc1cccc([C@@H](C#N)NC[C@@H]2CCCO2)c1 ZINC000037940078 175285392 /nfs/dbraw/zinc/28/53/92/175285392.db2.gz DSJPAIUKAUGPPV-UONOGXRCSA-N 0 0 246.310 2.028 10 30 BEEERN COc1cccc([C@@H](C#N)NC(C)C)c1 ZINC000020173261 175285990 /nfs/dbraw/zinc/28/59/90/175285990.db2.gz BMQVUJFFQPQCQD-GFCCVEGCSA-N 0 0 204.273 2.258 10 30 BEEERN COc1ccccc1-c1cc(N)n(CCC#N)n1 ZINC000006769667 175309165 /nfs/dbraw/zinc/30/91/65/175309165.db2.gz KHQDDYBJTMNCOY-UHFFFAOYSA-N 0 0 242.282 2.055 10 30 BEEERN COc1ccccc1NN=C(C#N)C#N ZINC000090563555 175315225 /nfs/dbraw/zinc/31/52/25/175315225.db2.gz SBLSFFLNCIOIMM-YPKPFQOOSA-N 0 0 200.201 2.195 10 30 BEEERN COc1ccccc1NN=C(C#N)C#N ZINC000018142616 175315811 /nfs/dbraw/zinc/31/58/11/175315811.db2.gz SBLSFFLNCIOIMM-BUHFOSPRSA-N 0 0 200.201 2.195 10 30 BEEERN COc1ccccc1C(=O)C[C@H](C)C#N ZINC000033426694 175316597 /nfs/dbraw/zinc/31/65/97/175316597.db2.gz UHEWLJXSOAQYFH-VIFPVBQESA-N 0 0 203.241 2.428 10 30 BEEERN COc1ccccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061889240 175319107 /nfs/dbraw/zinc/31/91/07/175319107.db2.gz OJRWQEAAIRHHER-PWSUYJOCSA-N 0 0 244.294 2.117 10 30 BEEERN COc1ccccc1CN[C@@H]1CCC[C@H]1C#N ZINC000054823109 175330716 /nfs/dbraw/zinc/33/07/16/175330716.db2.gz ZNZNMNSIUVTZTK-WCQYABFASA-N 0 0 230.311 2.477 10 30 BEEERN COc1ccccc1NC(=O)[C@H](C)CC#N ZINC000049816595 175337009 /nfs/dbraw/zinc/33/70/09/175337009.db2.gz KJEHTSQBXKWBPP-SECBINFHSA-N 0 0 218.256 2.183 10 30 BEEERN COc1ccccc1N[C@H](C#N)C1CC1 ZINC000041047368 175338559 /nfs/dbraw/zinc/33/85/59/175338559.db2.gz GEHPSDXLSDGRDW-LLVKDONJSA-N 0 0 202.257 2.409 10 30 BEEERN COc1ccccc1N[C@@H](C#N)c1cnn(C)c1 ZINC000037938773 175338907 /nfs/dbraw/zinc/33/89/07/175338907.db2.gz IPIKMLIBRKKHGC-LBPRGKRZSA-N 0 0 242.282 2.105 10 30 BEEERN C[C@@H](C#N)NCc1cccc(Br)c1 ZINC000043515340 175598807 /nfs/dbraw/zinc/59/88/07/175598807.db2.gz RHNODNHBTHYXPP-QMMMGPOBSA-N 0 0 239.116 2.451 10 30 BEEERN C[C@@H](N(C)c1ncc(N)cc1C#N)C(C)(C)C ZINC000042739717 175793256 /nfs/dbraw/zinc/79/32/56/175793256.db2.gz CNQVHVWTEDJPJF-SECBINFHSA-N 0 0 232.331 2.406 10 30 BEEERN C[C@@H](Nc1cccc(C#N)c1)C(=O)NC(C)(C)C ZINC000020316144 175932201 /nfs/dbraw/zinc/93/22/01/175932201.db2.gz FTAYHPSMIITYRP-SNVBAGLBSA-N 0 0 245.326 2.273 10 30 BEEERN C[C@@H](Nc1ccccc1C#N)C(=O)NC(C)(C)C ZINC000020314745 175934110 /nfs/dbraw/zinc/93/41/10/175934110.db2.gz OECLPXZXYYQANV-SNVBAGLBSA-N 0 0 245.326 2.273 10 30 BEEERN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)nc1 ZINC000115001188 176079602 /nfs/dbraw/zinc/07/96/02/176079602.db2.gz HLAGAYBNLWBINW-MFKMUULPSA-N 0 0 243.310 2.262 10 30 BEEERN C[C@@H]1CCCC[C@@H]1Oc1ncccc1/C(N)=N/O ZINC000019802835 176082758 /nfs/dbraw/zinc/08/27/58/176082758.db2.gz NMFRQOCCZIMIPB-KOLCDFICSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@@H]1CCCC[C@H]1Oc1ncc(N)cc1C#N ZINC000037759307 176090403 /nfs/dbraw/zinc/09/04/03/176090403.db2.gz WVPSORDVZXODRL-BXKDBHETSA-N 0 0 231.299 2.493 10 30 BEEERN C[C@@H]1CCCN(c2ncc(C#N)s2)C1 ZINC000082418664 176104257 /nfs/dbraw/zinc/10/42/57/176104257.db2.gz COFQOTPJGPQFSF-MRVPVSSYSA-N 0 0 207.302 2.251 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)Nc2cn(C)nc2C2CC2)O1 ZINC000329617174 176222135 /nfs/dbraw/zinc/22/21/35/176222135.db2.gz LQDARNPDBSRUIX-LDYMZIIASA-N 0 0 249.314 2.453 10 30 BEEERN C[C@@H]1C[C@@H]1CN(C)C(=O)Cc1ccc(C#N)cc1 ZINC000104410738 176392173 /nfs/dbraw/zinc/39/21/73/176392173.db2.gz LYIHHPGCYTVSRP-BXUZGUMPSA-N 0 0 242.322 2.215 10 30 BEEERN C[C@H](C#N)CN(C)C(=O)c1c[nH]c2ccccc21 ZINC000037842098 176551873 /nfs/dbraw/zinc/55/18/73/176551873.db2.gz HUFHUWFEHUJHPA-SNVBAGLBSA-N 0 0 241.294 2.400 10 30 BEEERN C[C@H](C#N)CN(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000052118815 176552750 /nfs/dbraw/zinc/55/27/50/176552750.db2.gz UIXJVKVTMBBSCF-MRVPVSSYSA-N 0 0 237.234 2.330 10 30 BEEERN C[C@H](O)c1c(F)cccc1N(C)C[C@H](C)C#N ZINC000103923277 176553180 /nfs/dbraw/zinc/55/31/80/176553180.db2.gz ZBBAIRJKZNBMRK-ZJUUUORDSA-N 0 0 236.290 2.475 10 30 BEEERN C[C@H](C#N)CNCc1cc2c(s1)CCC2 ZINC000040626988 176553603 /nfs/dbraw/zinc/55/36/03/176553603.db2.gz MLPOJQPVAPKKHE-SECBINFHSA-N 0 0 220.341 2.486 10 30 BEEERN C[C@H](C#N)CNc1ccc(N(C)C)cc1 ZINC000036335604 176553990 /nfs/dbraw/zinc/55/39/90/176553990.db2.gz ICRKCJOPOAWONG-SNVBAGLBSA-N 0 0 203.289 2.324 10 30 BEEERN C[C@H](C1CC1)N(C)c1ccccc1/C(N)=N/O ZINC000036785479 176592251 /nfs/dbraw/zinc/59/22/51/176592251.db2.gz UVVUMKVZWUHMPM-SECBINFHSA-N 0 0 233.315 2.016 10 30 BEEERN C[C@H](CC#N)C(=O)N1CCc2ccccc21 ZINC000049815632 176596690 /nfs/dbraw/zinc/59/66/90/176596690.db2.gz IYCVHRNFCJWLFC-SNVBAGLBSA-N 0 0 214.268 2.125 10 30 BEEERN C[C@H](CC#N)Nc1ccc(F)c(C#N)c1 ZINC000051636649 176597543 /nfs/dbraw/zinc/59/75/43/176597543.db2.gz GWWDTTDJKULOKA-MRVPVSSYSA-N 0 0 203.220 2.411 10 30 BEEERN C[C@@H](O)[C@H](C)Oc1cc(Cl)ccc1C#N ZINC000129037280 177022299 /nfs/dbraw/zinc/02/22/99/177022299.db2.gz GGWVHHCNPSXDLG-SFYZADRCSA-N 0 0 225.675 2.360 10 30 BEEERN C[C@H]1CCCC[C@H]1N(C)c1nccc(C#N)n1 ZINC000231899294 177087137 /nfs/dbraw/zinc/08/71/37/177087137.db2.gz MIFZJZSCYZCFFG-CMPLNLGQSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@@H]1CCC[C@H](C)CN1c1cnc(C#N)cn1 ZINC000125520844 177115353 /nfs/dbraw/zinc/11/53/53/177115353.db2.gz RUOGXFOPCXBYMY-WDEREUQCSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(F)c2)O1 ZINC000308122334 177181882 /nfs/dbraw/zinc/18/18/82/177181882.db2.gz RGQZOSOTQGSTIK-UFBFGSQYSA-N 0 0 248.257 2.203 10 30 BEEERN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C=O ZINC000224534347 177221792 /nfs/dbraw/zinc/22/17/92/177221792.db2.gz PLVBIBPBUCVLHC-UWVGGRQHSA-N 0 0 227.304 2.078 10 30 BEEERN C[C@H]1C[C@@H]1CN(C)C(=O)Cc1ccc(C#N)cc1 ZINC000104410742 177342789 /nfs/dbraw/zinc/34/27/89/177342789.db2.gz LYIHHPGCYTVSRP-SMDDNHRTSA-N 0 0 242.322 2.215 10 30 BEEERN C[C@H]1C[C@@H]1Nc1nc2c(cc1C#N)CCC2 ZINC000052290801 177350628 /nfs/dbraw/zinc/35/06/28/177350628.db2.gz UTJFNPYYYBHBDM-UFBFGSQYSA-N 0 0 213.284 2.262 10 30 BEEERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C#CCCO)c1 ZINC000037550056 177377244 /nfs/dbraw/zinc/37/72/44/177377244.db2.gz BGWKYIIEZDPELN-SMDDNHRTSA-N 0 0 243.306 2.015 10 30 BEEERN C[C@H]1O[C@H]1Oc1ccc2ncsc2c1 ZINC000045237595 177411094 /nfs/dbraw/zinc/41/10/94/177411094.db2.gz GUYYYXDUVWQCID-LDWIPMOCSA-N 0 0 207.254 2.420 10 30 BEEERN CC(C)(C)OC(=O)NC(C)(C)[C@@H]1C[C@@H]1C=O ZINC000521400084 262779213 /nfs/dbraw/zinc/77/92/13/262779213.db2.gz ABOVZVGBFCJVCS-RKDXNWHRSA-N 0 0 227.304 2.125 10 30 BEEERN C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000249007519 322885332 /nfs/dbraw/zinc/88/53/32/322885332.db2.gz ZRRLYHVRMHZHLG-NQBHXWOUSA-N 0 0 225.332 2.272 10 30 BEEERN C=CCN(C)Cc1noc(Cc2ccccc2)n1 ZINC000121379612 324010465 /nfs/dbraw/zinc/01/04/65/324010465.db2.gz FEQISHQTSROQBC-UHFFFAOYSA-N 0 0 243.310 2.278 10 30 BEEERN N#Cc1ccsc1C(=O)NC1(C#N)CCCC1 ZINC000128942506 324899205 /nfs/dbraw/zinc/89/92/05/324899205.db2.gz BNTBGXHSSHDWLJ-UHFFFAOYSA-N 0 0 245.307 2.186 10 30 BEEERN CC#CCNC(=O)NCCCc1cccc(F)c1 ZINC000135381125 325410254 /nfs/dbraw/zinc/41/02/54/325410254.db2.gz ZHTPHCAMSMKECI-UHFFFAOYSA-N 0 0 248.301 2.081 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000250887053 325670521 /nfs/dbraw/zinc/67/05/21/325670521.db2.gz WPRHZCMKAIGGKJ-IEECTRCBSA-N 0 0 232.327 2.231 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Nc2sccc2C#N)O1 ZINC000153261231 325932995 /nfs/dbraw/zinc/93/29/95/325932995.db2.gz AYDLUUPBLJRNQT-APPZFPTMSA-N 0 0 236.296 2.126 10 30 BEEERN CCCCNc1cc(C)nc2c(C#N)ncn21 ZINC000038885892 487532984 /nfs/dbraw/zinc/53/29/84/487532984.db2.gz AQNDLSUHSVAARZ-UHFFFAOYSA-N 0 0 229.287 2.121 10 30 BEEERN CC(=O)Nc1ccc2c(c1)[C@@H]1O[C@@H]1C(C)(C)O2 ZINC000039426583 490089711 /nfs/dbraw/zinc/08/97/11/490089711.db2.gz WXHBTGNSJDAHJQ-RYUDHWBXSA-N 0 0 233.267 2.256 10 30 BEEERN Cc1cc(CN(C)CC=O)ccc1Cl ZINC000757157767 582540771 /nfs/dbraw/zinc/54/07/71/582540771.db2.gz MVUDIQBSJIRDBN-UHFFFAOYSA-N 0 0 211.692 2.279 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](S)C1 ZINC000757166382 582547471 /nfs/dbraw/zinc/54/74/71/582547471.db2.gz UCGLJWKNMUFGAH-JGVFFNPUSA-N 0 0 217.334 2.362 10 30 BEEERN C=CC[C@H](C)NC(=O)N1CCCSCC1 ZINC000116971052 534333949 /nfs/dbraw/zinc/33/39/49/534333949.db2.gz SMSPMHYUCWRWEP-JTQLQIEISA-N 0 0 228.361 2.100 10 30 BEEERN CC(C)(C)C(=O)ON=Cc1ccc2c(c1)OCO2 ZINC000254866309 518593664 /nfs/dbraw/zinc/59/36/64/518593664.db2.gz FUPFGAKPJRKWNT-UHFFFAOYSA-N 0 0 249.266 2.339 10 30 BEEERN CC(C)(C)C1CCN(C(=O)CC#N)CC1 ZINC000050348710 534556622 /nfs/dbraw/zinc/55/66/22/534556622.db2.gz ZCRDCJATURYRGV-UHFFFAOYSA-N 0 0 208.305 2.185 10 30 BEEERN C=CCCC(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000238963516 534610301 /nfs/dbraw/zinc/61/03/01/534610301.db2.gz YSYTVEKXPKUDBR-LBPRGKRZSA-N 0 0 246.310 2.028 10 30 BEEERN C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCCO1 ZINC000135009027 534698624 /nfs/dbraw/zinc/69/86/24/534698624.db2.gz RHSYOSOUCANDSW-WCQYABFASA-N 0 0 225.332 2.226 10 30 BEEERN C=CCN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000010536687 534846363 /nfs/dbraw/zinc/84/63/63/534846363.db2.gz NWTKFFSLKHZRTD-AWEZNQCLSA-N 0 0 244.294 2.030 10 30 BEEERN CC(C)c1csc(NC(=O)[C@H](C)C#N)n1 ZINC000044825424 535377876 /nfs/dbraw/zinc/37/78/76/535377876.db2.gz JPZXGQCAJBDMOU-SSDOTTSWSA-N 0 0 223.301 2.365 10 30 BEEERN CN(C(=O)N[C@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000335476694 536053597 /nfs/dbraw/zinc/05/35/97/536053597.db2.gz YQXGCRXYEQLOKW-JQWIXIFHSA-N 0 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CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccco1 ZINC000141376040 583554063 /nfs/dbraw/zinc/55/40/63/583554063.db2.gz LWDWLGCJOPNPSV-VIFPVBQESA-N 0 0 239.271 2.434 10 30 BEEERN CC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000104418394 583977958 /nfs/dbraw/zinc/97/79/58/583977958.db2.gz MPQPMXGMOUUMOT-ZDUSSCGKSA-N 0 0 243.310 2.067 10 30 BEEERN C#CCNC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000103247186 585081504 /nfs/dbraw/zinc/08/15/04/585081504.db2.gz MSWFLJKLMMIMGE-RYUDHWBXSA-N 0 0 222.332 2.134 10 30 BEEERN C=CCCOC(=O)CCCNC(=O)C(C)(C)C ZINC000103649864 586261034 /nfs/dbraw/zinc/26/10/34/586261034.db2.gz RRLKBACOOQUFOV-UHFFFAOYSA-N 0 0 241.331 2.048 10 30 BEEERN SCc1sncc1Br ZINC000757162014 586431245 /nfs/dbraw/zinc/43/12/45/586431245.db2.gz AQNDHAKETRXKEN-UHFFFAOYSA-N 0 0 210.121 2.335 10 30 BEEERN C#C[C@H](OC(=O)NCC)c1ccccc1 ZINC000757190487 586435534 /nfs/dbraw/zinc/43/55/34/586435534.db2.gz PMXSLGAJXSSOLF-NSHDSACASA-N 0 0 203.241 2.107 10 30 BEEERN C#C[C@@H](OC(=O)NC(C)C)c1ccccc1 ZINC000757190339 586435590 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/nfs/dbraw/zinc/33/74/88/588337488.db2.gz ZYGZJLCNTJYILY-UHFFFAOYSA-N 0 0 248.278 2.031 10 30 BEEERN C#CCOc1ccccc1OC(=O)CCC ZINC000107191989 588337930 /nfs/dbraw/zinc/33/79/30/588337930.db2.gz MDFGGRYPAAPLQJ-UHFFFAOYSA-N 0 0 218.252 2.404 10 30 BEEERN CS[C@H](C)C(=O)OCc1ccc(C#N)cc1 ZINC000107412414 588362862 /nfs/dbraw/zinc/36/28/62/588362862.db2.gz PKFLPEKYWZAFBH-SECBINFHSA-N 0 0 235.308 2.353 10 30 BEEERN N#Cc1ccc(C(=O)OC[C@@H]2CC=CCC2)nc1 ZINC000107425392 588364315 /nfs/dbraw/zinc/36/43/15/588364315.db2.gz QZJIRJXJEVULML-LLVKDONJSA-N 0 0 242.278 2.466 10 30 BEEERN C#CCOc1ccc(NC(=O)CCSC)cc1 ZINC000108188207 588452117 /nfs/dbraw/zinc/45/21/17/588452117.db2.gz KTDZDRIQNOOJAW-UHFFFAOYSA-N 0 0 249.335 2.390 10 30 BEEERN C#CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000109029058 588512061 /nfs/dbraw/zinc/51/20/61/588512061.db2.gz OHBXEZXRBRQHNP-UONOGXRCSA-N 0 0 227.307 2.272 10 30 BEEERN CCCCOCC(=O)[C@@H](C#N)c1ccccn1 ZINC000118599179 589179935 /nfs/dbraw/zinc/17/99/35/589179935.db2.gz 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0 0 245.278 2.169 10 30 BEEERN C#C[C@@H](OC(=O)C1=CCCCC1)C1CC1 ZINC000124865709 590095249 /nfs/dbraw/zinc/09/52/49/590095249.db2.gz WOFKATVLBMRNRU-GFCCVEGCSA-N 0 0 204.269 2.442 10 30 BEEERN C/C(=C/C(=O)N[C@H](C)C#N)c1ccc(F)cc1 ZINC000125211735 590156140 /nfs/dbraw/zinc/15/61/40/590156140.db2.gz LBIXKNQCOUXXFM-UJICNMFASA-N 0 0 232.258 2.257 10 30 BEEERN C#C[C@@H](C)OC(=O)c1ccn(C2CCCC2)n1 ZINC000125312949 590160900 /nfs/dbraw/zinc/16/09/00/590160900.db2.gz IFBSBUTVUZPFMK-SNVBAGLBSA-N 0 0 232.283 2.177 10 30 BEEERN CC#CCOC(=O)CCCC[C@@H](C)C(C)=O ZINC000126113820 590230910 /nfs/dbraw/zinc/23/09/10/590230910.db2.gz JOCMZNRTOKTJJW-LLVKDONJSA-N 0 0 224.300 2.338 10 30 BEEERN C=C[C@@H](CC)OC(=O)[C@H]1CCCCN1CC ZINC000127472033 590678202 /nfs/dbraw/zinc/67/82/02/590678202.db2.gz FHNMUDDKQIYDKV-NWDGAFQWSA-N 0 0 225.332 2.369 10 30 BEEERN C=C[C@@H](CC)OC(=O)c1ccnc(N(C)C)c1 ZINC000127470231 590678834 /nfs/dbraw/zinc/67/88/34/590678834.db2.gz BNHRQTKXEHJTBM-NSHDSACASA-N 0 0 234.299 2.269 10 30 BEEERN C#C[C@@H](C)OC(=O)C1CCC(F)(F)CC1 ZINC000129131203 591259476 /nfs/dbraw/zinc/25/94/76/591259476.db2.gz OFZOLHHNNJSDIN-MRVPVSSYSA-N 0 0 216.227 2.377 10 30 BEEERN CC(C)(C)OC(=O)N[C@H](CC=O)c1ccco1 ZINC000212149445 591316639 /nfs/dbraw/zinc/31/66/39/591316639.db2.gz LWDWLGCJOPNPSV-SECBINFHSA-N 0 0 239.271 2.434 10 30 BEEERN C[C@H](OC(=O)c1cscn1)C(C)(C)C#N ZINC000130777962 591519276 /nfs/dbraw/zinc/51/92/76/591519276.db2.gz PDRJKPLCLIBGAA-ZETCQYMHSA-N 0 0 224.285 2.238 10 30 BEEERN C[C@@H](OC(=O)c1ccco1)C(C)(C)C#N ZINC000130851823 591530260 /nfs/dbraw/zinc/53/02/60/591530260.db2.gz ISWLJXUJENZMJW-MRVPVSSYSA-N 0 0 207.229 2.375 10 30 BEEERN C#CCN(C(=O)NCCCC)C1CCCC1 ZINC000130935789 591537887 /nfs/dbraw/zinc/53/78/87/591537887.db2.gz VTBRBAWCVYGDFF-UHFFFAOYSA-N 0 0 222.332 2.374 10 30 BEEERN COC[C@@H](C)CNc1cccc(OCC#N)c1 ZINC000131796052 591659264 /nfs/dbraw/zinc/65/92/64/591659264.db2.gz STOPBGCSZMCXFO-NSHDSACASA-N 0 0 234.299 2.283 10 30 BEEERN C#C[C@@H](C)OC(=O)c1ccc(C(C)C)nc1 ZINC000132084637 591686391 /nfs/dbraw/zinc/68/63/91/591686391.db2.gz RASVTXSXRYJOND-SNVBAGLBSA-N 0 0 217.268 2.384 10 30 BEEERN C#C[C@H](C)OC(=O)c1ccc(C(C)C)nc1 ZINC000132084401 591686569 /nfs/dbraw/zinc/68/65/69/591686569.db2.gz RASVTXSXRYJOND-JTQLQIEISA-N 0 0 217.268 2.384 10 30 BEEERN COC[C@H](OC(=O)c1cccc(C#N)c1)C1CC1 ZINC000132657614 591728748 /nfs/dbraw/zinc/72/87/48/591728748.db2.gz UYMXCYIDDXSWSV-ZDUSSCGKSA-N 0 0 245.278 2.140 10 30 BEEERN C=C(Br)CN1[C@@H](C)COC[C@@H]1C ZINC000133181671 591777103 /nfs/dbraw/zinc/77/71/03/591777103.db2.gz BZOPYFIBUHVVOF-IUCAKERBSA-N 0 0 234.137 2.004 10 30 BEEERN C#C[C@H](OC(=O)CC[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000133937577 591869836 /nfs/dbraw/zinc/86/98/36/591869836.db2.gz CGFBYTMZLQTMLH-WXHSDQCUSA-N 0 0 236.311 2.289 10 30 BEEERN C#C[C@@H](OC(=O)c1ccnn1C(C)C)C1CC1 ZINC000134116255 591888585 /nfs/dbraw/zinc/88/85/85/591888585.db2.gz BWLZYPNRQHJIMZ-GFCCVEGCSA-N 0 0 232.283 2.033 10 30 BEEERN C#C[C@@H](OC(=O)c1scnc1CC)C1CC1 ZINC000134124237 591892674 /nfs/dbraw/zinc/89/26/74/591892674.db2.gz KJIBYROHBBXRND-SNVBAGLBSA-N 0 0 235.308 2.274 10 30 BEEERN CC(=O)[C@@H]1CCCN(c2nccc(C)c2C#N)C1 ZINC000135136826 591991889 /nfs/dbraw/zinc/99/18/89/591991889.db2.gz VFKQUSQMRJEFMZ-GFCCVEGCSA-N 0 0 243.310 2.067 10 30 BEEERN C#C[C@H](C)OC(=O)[C@H](C)Sc1ccccn1 ZINC000135200992 591997068 /nfs/dbraw/zinc/99/70/68/591997068.db2.gz JYYFLRQYLYNGGW-UWVGGRQHSA-N 0 0 235.308 2.127 10 30 BEEERN C[Si](C)(C)C#Cc1cccc(C=O)n1 ZINC000218135443 592152106 /nfs/dbraw/zinc/15/21/06/592152106.db2.gz GBHVXKVLLARWPG-UHFFFAOYSA-N 0 0 203.317 2.123 10 30 BEEERN C[C@@H](CO)N(C)c1ccc(C#N)cc1Cl ZINC000124182083 634395523 /nfs/dbraw/zinc/39/55/23/634395523.db2.gz PSEPUCYFTLXPRI-QMMMGPOBSA-N 0 0 224.691 2.029 10 30 BEEERN CC[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000234108372 635548695 /nfs/dbraw/zinc/54/86/95/635548695.db2.gz HWMXKTDRSPLJBC-QWHCGFSZSA-N 0 0 244.294 2.312 10 30 BEEERN N#C[C@H]1CCC[C@@H]1Nc1cncc(Cl)n1 ZINC000308879027 632068186 /nfs/dbraw/zinc/06/81/86/632068186.db2.gz PBJXTSSAWFUVSF-SFYZADRCSA-N 0 0 222.679 2.234 10 30 BEEERN N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000158763934 632484725 /nfs/dbraw/zinc/48/47/25/632484725.db2.gz LDMBZHJBXCYIPK-BXKDBHETSA-N 0 0 234.274 2.313 10 30 BEEERN C[C@H](C#N)NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000255593493 632552954 /nfs/dbraw/zinc/55/29/54/632552954.db2.gz SCPBZUAHYFOTKS-WQAKUFEDSA-N 0 0 234.686 2.381 10 30 BEEERN COC1CC(Nc2c(F)cc(C#N)cc2F)C1 ZINC000230595057 635850249 /nfs/dbraw/zinc/85/02/49/635850249.db2.gz NQOIPIUBZOVGRH-UHFFFAOYSA-N 0 0 238.237 2.426 10 30 BEEERN C#C[C@H](NCc1csc(COC)n1)C(C)C ZINC000309882276 633899295 /nfs/dbraw/zinc/89/92/95/633899295.db2.gz WCAOXHIXDYYFKH-NSHDSACASA-N 0 0 238.356 2.037 10 30 BEEERN CSc1cnc(N[C@H]2CCC[C@H]2C#N)nc1 ZINC000309896033 633912494 /nfs/dbraw/zinc/91/24/94/633912494.db2.gz FVYRKGSKCNOFIS-WPRPVWTQSA-N 0 0 234.328 2.303 10 30 BEEERN C[C@@H](O)[C@@H](C)Nc1c(F)cc(C#N)cc1F ZINC000309959745 633983790 /nfs/dbraw/zinc/98/37/90/633983790.db2.gz KJODZVHMKFHCJX-RNFRBKRXSA-N 0 0 226.226 2.018 10 30 BEEERN Cc1nc(N[C@@H](C)[C@@H](C)O)c(Cl)cc1C#N ZINC000309913962 634041201 /nfs/dbraw/zinc/04/12/01/634041201.db2.gz OHBJDMRIIYPVLH-POYBYMJQSA-N 0 0 239.706 2.096 10 30 BEEERN CCCOCC(=O)OCC#Cc1ccccc1 ZINC000123723345 634251689 /nfs/dbraw/zinc/25/16/89/634251689.db2.gz HISHHQXYJWNBDE-UHFFFAOYSA-N 0 0 232.279 2.008 10 30 BEEERN CCCCCCCNC(=O)n1ccnc1 ZINC000215920995 635199673 /nfs/dbraw/zinc/19/96/73/635199673.db2.gz ADICPOYEXZSKBI-UHFFFAOYSA-N 0 0 209.293 2.411 10 30 BEEERN Cc1ccc(O)cc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000311129926 640124866 /nfs/dbraw/zinc/12/48/66/640124866.db2.gz QPUVOAUBNORZHR-ZWNOBZJWSA-N 0 0 244.294 2.123 10 30 BEEERN Cc1ccc(O)cc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000311129924 640125846 /nfs/dbraw/zinc/12/58/46/640125846.db2.gz QPUVOAUBNORZHR-GXFFZTMASA-N 0 0 244.294 2.123 10 30 BEEERN C=C(Br)CN(C)C[C@@H]1CCCO1 ZINC000052441905 640646154 /nfs/dbraw/zinc/64/61/54/640646154.db2.gz 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C[C@@H]1CC[C@H](C(=O)OCC(C)(C)CCC#N)O1 ZINC000195087792 644359777 /nfs/dbraw/zinc/35/97/77/644359777.db2.gz HJVUHJBVOAWPIH-GHMZBOCLSA-N 0 0 239.315 2.427 10 30 BEEERN C=CCNC(=O)/C=C\c1c(OC)cccc1OC ZINC000096769378 644834771 /nfs/dbraw/zinc/83/47/71/644834771.db2.gz LZXVFYRJUNBWGO-HJWRWDBZSA-N 0 0 247.294 2.019 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)OC1CCCC1 ZINC000304503073 644911025 /nfs/dbraw/zinc/91/10/25/644911025.db2.gz CTZNNOBSGHOTSM-ONGXEEELSA-N 0 0 222.288 2.347 10 30 BEEERN CC(C)N(C)c1nc(C#N)ccc1Cl ZINC000669383279 711789998 /nfs/dbraw/zinc/78/99/98/711789998.db2.gz QYKHWMWEQJOPDN-UHFFFAOYSA-N 0 0 209.680 2.451 10 30 BEEERN CSC1CC(NC(=O)C2(C#N)CCCC2)C1 ZINC000707297731 712169093 /nfs/dbraw/zinc/16/90/93/712169093.db2.gz MNQCWJPPUPWFAG-UHFFFAOYSA-N 0 0 238.356 2.081 10 30 BEEERN CCC(C#N)(CC)C(=O)NC1CC(SC)C1 ZINC000707300068 712169456 /nfs/dbraw/zinc/16/94/56/712169456.db2.gz XLUJSBVDYJLGNN-UHFFFAOYSA-N 0 0 240.372 2.327 10 30 BEEERN Cc1conc1CN[C@H]1CCCC[C@@H]1C#N ZINC000708434104 712193986 /nfs/dbraw/zinc/19/39/86/712193986.db2.gz OVFINPLMERHING-MNOVXSKESA-N 0 0 219.288 2.155 10 30 BEEERN C#CCN(C(=O)[C@H]1CCO[C@H]1CC)C(C)(C)C ZINC000723027303 711495789 /nfs/dbraw/zinc/49/57/89/711495789.db2.gz IABBTCYHTIXQHW-RYUDHWBXSA-N 0 0 237.343 2.062 10 30 BEEERN C#CCN(C(=O)c1ccc(F)cc1N)C(C)(C)C ZINC000723032452 711496294 /nfs/dbraw/zinc/49/62/94/711496294.db2.gz NRSJJIQETBGSOS-UHFFFAOYSA-N 0 0 248.301 2.282 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1Nc1cncc(Cl)n1 ZINC000308879029 711572665 /nfs/dbraw/zinc/57/26/65/711572665.db2.gz PBJXTSSAWFUVSF-YUMQZZPRSA-N 0 0 222.679 2.234 10 30 BEEERN C[C@@H](NCCC#N)c1ccc2c(c1)CCO2 ZINC000037240327 712556502 /nfs/dbraw/zinc/55/65/02/712556502.db2.gz WSFCXULIQXYDKZ-SNVBAGLBSA-N 0 0 216.284 2.186 10 30 BEEERN Cc1cc(C#N)ccc1N[C@@H](C)c1cn(C)nn1 ZINC000720596863 712856400 /nfs/dbraw/zinc/85/64/00/712856400.db2.gz VCGNMQRMKGAPGD-JTQLQIEISA-N 0 0 241.298 2.168 10 30 BEEERN C[C@@H](CC#N)C(=O)OCc1ccccc1F ZINC000049818100 1165881041 /nfs/dbraw/zinc/88/10/41/1165881041.db2.gz XUAXGGFQFVGXHI-VIFPVBQESA-N 0 0 221.231 2.419 10 30 BEEERN C#CC1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000692359862 954697731 /nfs/dbraw/zinc/69/77/31/954697731.db2.gz WUCRWRRLEMXUBY-UHFFFAOYSA-N 0 0 243.306 2.230 10 30 BEEERN C#C[C@@H](C)NC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000588512692 958877558 /nfs/dbraw/zinc/87/75/58/958877558.db2.gz WFLUHBKBXSBDOK-DWOQACPDSA-N 0 0 231.270 2.367 10 30 BEEERN N#Cc1ccnnc1N1CCCCCCC1 ZINC000123244990 961194169 /nfs/dbraw/zinc/19/41/69/961194169.db2.gz XITNMVZTDUFKET-UHFFFAOYSA-N 0 0 216.288 2.119 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)c1ccc(F)cc1N ZINC000062822788 969873686 /nfs/dbraw/zinc/87/36/86/969873686.db2.gz DVXQVDYCPCVDCF-SECBINFHSA-N 0 0 249.289 2.030 10 30 BEEERN N#C[C@@H]1CCCN(Cc2ccccc2C(=O)[O-])C1 ZINC000703633931 977172546 /nfs/dbraw/zinc/17/25/46/977172546.db2.gz KFLQMFDNEXIPCZ-NSHDSACASA-N 0 0 244.294 2.120 10 30 BEEERN C=CC[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000704853986 977264914 /nfs/dbraw/zinc/26/49/14/977264914.db2.gz PWZOLHZMVQLZNF-VWYCJHECSA-N 0 0 211.305 2.184 10 30 BEEERN C#CC[N@H+](Cc1cc(C(=O)[O-])c(C)o1)C(C)C ZINC000708470994 977428298 /nfs/dbraw/zinc/42/82/98/977428298.db2.gz ZBKJYSOIGNSYJB-UHFFFAOYSA-N 0 0 235.283 2.130 10 30 BEEERN CCN(CCC#N)Cc1cc(C(=O)[O-])cs1 ZINC000711378881 977537944 /nfs/dbraw/zinc/53/79/44/977537944.db2.gz SERCGWDCPXJPBY-UHFFFAOYSA-N 0 0 238.312 2.182 10 30 BEEERN C=C1CCC(C[NH2+][C@@H](CC)C(=O)[O-])CC1 ZINC000724462219 978228158 /nfs/dbraw/zinc/22/81/58/978228158.db2.gz QAWSZRCQXKSPPQ-NSHDSACASA-N 0 0 211.305 2.186 10 30 BEEERN C#CCSc1ccc(-c2ccco2)nn1 ZINC000038719099 1171078452 /nfs/dbraw/zinc/07/84/52/1171078452.db2.gz ZYEAKXYKYVWOTA-UHFFFAOYSA-N 0 0 216.265 2.462 10 30 BEEERN C[C@H](CC#N)C(=O)OCc1ccccc1 ZINC000049804379 1171731350 /nfs/dbraw/zinc/73/13/50/1171731350.db2.gz VUASDALXHWOLMT-SNVBAGLBSA-N 0 0 203.241 2.280 10 30 BEEERN C=C(C)C(=O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000685960418 538907675 /nfs/dbraw/zinc/90/76/75/538907675.db2.gz KFWXNJJELGGOTJ-UHFFFAOYSA-N 0 0 239.315 2.435 10 30 BEEERN C#CC(=O)[C@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000685961844 538908564 /nfs/dbraw/zinc/90/85/64/538908564.db2.gz OTDRQGXKYAPSTR-WDEREUQCSA-N 0 0 249.310 2.048 10 30 BEEERN Cc1cc(C)nc(NC(=NC(C)(C)C)NC#N)c1 ZINC000026577857 177936289 /nfs/dbraw/zinc/93/62/89/177936289.db2.gz PZIPQCFCXVERPT-UHFFFAOYSA-N 0 0 245.330 2.336 10 30 BEEERN CC[C@@H](C#N)n1cc2ccc(N)cc2n1 ZINC000685965469 538911713 /nfs/dbraw/zinc/91/17/13/538911713.db2.gz GAHNCOADDSTJHD-JTQLQIEISA-N 0 0 200.245 2.093 10 30 BEEERN CC(C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000062211627 349461735 /nfs/dbraw/zinc/46/17/35/349461735.db2.gz XSUKZSFJNJICLJ-NEPJUHHUSA-N 0 0 228.295 2.208 10 30 BEEERN N#CCCCN1CCO[C@H](c2ccsc2)C1 ZINC000125742824 136213143 /nfs/dbraw/zinc/21/31/43/136213143.db2.gz KXTJAZWAJVCJJR-LBPRGKRZSA-N 0 0 236.340 2.425 10 30 BEEERN Cc1ccc2c(c1)[C@H](NC(=O)CC#N)[C@H](C)C2 ZINC000120110961 136214403 /nfs/dbraw/zinc/21/44/03/136214403.db2.gz YOWDOUCADAOWPW-QMTHXVAHSA-N 0 0 228.295 2.258 10 30 BEEERN Cc1cc(CNC[C@@H](C)C#N)cc(C)c1O ZINC000054180487 178022486 /nfs/dbraw/zinc/02/24/86/178022486.db2.gz NWNGTKFHHQZFDS-VIFPVBQESA-N 0 0 218.300 2.258 10 30 BEEERN C#CCC(=O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000235414486 343980533 /nfs/dbraw/zinc/98/05/33/343980533.db2.gz ACCGTDSDEQAZIH-XKSSXDPKSA-N 0 0 214.355 2.204 10 30 BEEERN CN[C@H](C#N)c1cscc1Br ZINC000307570587 398176138 /nfs/dbraw/zinc/17/61/38/398176138.db2.gz DNCZBHLDYBOWOR-SSDOTTSWSA-N 0 0 231.118 2.295 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1Nc1ncc(Cl)cn1 ZINC000308862934 136216936 /nfs/dbraw/zinc/21/69/36/136216936.db2.gz CHLXNOGLUPRHBF-CBAPKCEASA-N 0 0 222.679 2.234 10 30 BEEERN N#C[C@@]1(c2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000380121690 398196528 /nfs/dbraw/zinc/19/65/28/398196528.db2.gz MUYCVXNPQAQTEC-LBPRGKRZSA-N 0 0 232.239 2.167 10 30 BEEERN Cc1cc(NCCC(C)(C)O)c(C#N)c(C)n1 ZINC000302404062 178157857 /nfs/dbraw/zinc/15/78/57/178157857.db2.gz HJROPHXCKOXBAJ-UHFFFAOYSA-N 0 0 233.315 2.143 10 30 BEEERN Cc1cc(N[C@H]2CCO[C@H]2C)c(C#N)c(C)n1 ZINC000149793940 178190415 /nfs/dbraw/zinc/19/04/15/178190415.db2.gz LMPANHTUJQFCRN-JQWIXIFHSA-N 0 0 231.299 2.159 10 30 BEEERN CC[C@@]1(c2cccc(F)c2)O[C@H]1C(=O)OC ZINC000164144474 538931755 /nfs/dbraw/zinc/93/17/55/538931755.db2.gz TZWMGYIVFSPFCH-JQWIXIFHSA-N 0 0 224.231 2.003 10 30 BEEERN Cc1cc(SCc2cccnc2C#N)n(C)n1 ZINC000061665077 178218152 /nfs/dbraw/zinc/21/81/52/178218152.db2.gz LXSJDHROZGVRGO-UHFFFAOYSA-N 0 0 244.323 2.288 10 30 BEEERN Cc1cc(S[C@H](C)CO)c(C#N)c(C)n1 ZINC000160756988 178219528 /nfs/dbraw/zinc/21/95/28/178219528.db2.gz JNZGFWRHLOGGJE-MRVPVSSYSA-N 0 0 222.313 2.043 10 30 BEEERN COC(=O)[C@H]1O[C@]1(C)CCCC(F)(F)F ZINC000166774946 538939540 /nfs/dbraw/zinc/93/95/40/538939540.db2.gz WKDHYPAOBBESMI-HTRCEHHLSA-N 0 0 226.194 2.050 10 30 BEEERN Cc1cc2ncn(CCC/C(N)=N/O)c2cc1C ZINC000019515202 178305669 /nfs/dbraw/zinc/30/56/69/178305669.db2.gz SARNZFCSFRUFON-UHFFFAOYSA-N 0 0 246.314 2.180 10 30 BEEERN CCC(CC)N(C)C(=O)c1ccc(C#N)cn1 ZINC000104225830 168367881 /nfs/dbraw/zinc/36/78/81/168367881.db2.gz HNGYKVFPZQWCEF-UHFFFAOYSA-N 0 0 231.299 2.214 10 30 BEEERN Cc1ccc(-c2ccc(C#N)c(=N)n2C)cc1 ZINC000105625714 178322560 /nfs/dbraw/zinc/32/25/60/178322560.db2.gz XWHRICFMIGOFHW-UHFFFAOYSA-N 0 0 223.279 2.352 10 30 BEEERN N#Cc1ccc2[nH]c3c(c2c1)CC(=O)CC3 ZINC000205250416 343995968 /nfs/dbraw/zinc/99/59/68/343995968.db2.gz HRZCNOLTAVDNGX-UHFFFAOYSA-N 0 0 210.236 2.097 10 30 BEEERN Cc1ccc(C#N)cc1N[C@@H]1CCC[C@H]1O ZINC000050430284 178367639 /nfs/dbraw/zinc/36/76/39/178367639.db2.gz KMRKNPFECVXIFM-DGCLKSJQSA-N 0 0 216.284 2.192 10 30 BEEERN Cc1ccc(C#N)c(OC[C@@H]2CCOC2)c1 ZINC000051598513 178365220 /nfs/dbraw/zinc/36/52/20/178365220.db2.gz IGCADNMUBROGEH-LLVKDONJSA-N 0 0 217.268 2.282 10 30 BEEERN Cc1ccc(C#N)cc1N[C@H]1CCC[C@@H]1O ZINC000050430283 178367519 /nfs/dbraw/zinc/36/75/19/178367519.db2.gz KMRKNPFECVXIFM-AAEUAGOBSA-N 0 0 216.284 2.192 10 30 BEEERN C[C@@H](C#N)Oc1cc(N)cc(Br)c1 ZINC000235558085 344000619 /nfs/dbraw/zinc/00/06/19/344000619.db2.gz CPJHNKXEDWQQOA-LURJTMIESA-N 0 0 241.088 2.322 10 30 BEEERN C=CC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000405823726 538961242 /nfs/dbraw/zinc/96/12/42/538961242.db2.gz YEYLYGCZQLOUBC-VHSXEESVSA-N 0 0 239.315 2.435 10 30 BEEERN C=CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000405513005 538959932 /nfs/dbraw/zinc/95/99/32/538959932.db2.gz RZDYJNXZFLDJCR-NXEZZACHSA-N 0 0 239.315 2.245 10 30 BEEERN C=C(C)C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC000405660427 538960858 /nfs/dbraw/zinc/96/08/58/538960858.db2.gz FLBZZGNTOKCMSG-UHFFFAOYSA-N 0 0 239.315 2.389 10 30 BEEERN C=C(C)C(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000406128016 538963445 /nfs/dbraw/zinc/96/34/45/538963445.db2.gz VOXBXDVQHCUGDR-UHFFFAOYSA-N 0 0 239.315 2.389 10 30 BEEERN COc1cc(/C=N\O)ccc1OC(F)F ZINC000003337366 342732725 /nfs/dbraw/zinc/73/27/25/342732725.db2.gz ZBRAYHQANBMXJA-XGICHPGQSA-N 0 0 217.171 2.105 10 30 BEEERN Cc1nc(-c2[nH]c3ccccc3c2C#N)no1 ZINC000146367965 342768735 /nfs/dbraw/zinc/76/87/35/342768735.db2.gz QNLMENQBSZKFRV-UHFFFAOYSA-N 0 0 224.223 2.398 10 30 BEEERN N#Cc1c(F)cc([C@@H](O)C(F)(F)F)cc1F ZINC000149554069 342794225 /nfs/dbraw/zinc/79/42/25/342794225.db2.gz WBFBLXZKJFJCRB-MRVPVSSYSA-N 0 0 237.127 2.432 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCS1 ZINC000260007097 349621806 /nfs/dbraw/zinc/62/18/06/349621806.db2.gz VDJRWACAJLTMEA-GARJFASQSA-N 0 0 238.356 2.081 10 30 BEEERN CO[C@H]1CCC[C@H](Nc2ncccc2C#N)C1 ZINC000301796492 398291030 /nfs/dbraw/zinc/29/10/30/398291030.db2.gz ULOPDZOSYISUAL-RYUDHWBXSA-N 0 0 231.299 2.323 10 30 BEEERN C=C[C@H](NN)c1cc2c(s1)CCCC2 ZINC000097752777 342837575 /nfs/dbraw/zinc/83/75/75/342837575.db2.gz VIXGYCWIULRJGJ-VIFPVBQESA-N 0 0 208.330 2.317 10 30 BEEERN C[C@@H](CCC#N)n1cc(Br)c(N)n1 ZINC000709995342 539027826 /nfs/dbraw/zinc/02/78/26/539027826.db2.gz HMEOXLWRJKPODT-LURJTMIESA-N 0 0 243.108 2.093 10 30 BEEERN C=C(Cl)Cn1nc(CC)c(N)c1CC ZINC000710579934 539028053 /nfs/dbraw/zinc/02/80/53/539028053.db2.gz PBOGXUKFKHDFGG-UHFFFAOYSA-N 0 0 213.712 2.343 10 30 BEEERN C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)[C@@H]1CCCO1 ZINC000251551492 398298049 /nfs/dbraw/zinc/29/80/49/398298049.db2.gz LQBOHJZSPYTTJS-RVMXOQNASA-N 0 0 222.332 2.226 10 30 BEEERN CCCCCCC[C@H](C)S(N)(=O)=O ZINC000106470479 539017171 /nfs/dbraw/zinc/01/71/71/539017171.db2.gz LHLJSLKNADWTDR-VIFPVBQESA-N 0 0 207.339 2.024 10 30 BEEERN COc1ccc2cc(C#CCO)ccc2c1 ZINC000042477777 362003053 /nfs/dbraw/zinc/00/30/53/362003053.db2.gz NYLOTZHJMMJJKJ-UHFFFAOYSA-N 0 0 212.248 2.192 10 30 BEEERN Cc1cc(C)c(C#N)c(N(C)C[C@H]2CCCO2)n1 ZINC000042466246 362002009 /nfs/dbraw/zinc/00/20/09/362002009.db2.gz BNOOQWRJHCZGTH-GFCCVEGCSA-N 0 0 245.326 2.185 10 30 BEEERN Cc1ccc(CC=O)cc1Br ZINC000165046701 342872368 /nfs/dbraw/zinc/87/23/68/342872368.db2.gz LOGILZBTHLLWAZ-UHFFFAOYSA-N 0 0 213.074 2.499 10 30 BEEERN CCCCC[C@H](CCC=O)OC(C)=O ZINC000059866812 342873041 /nfs/dbraw/zinc/87/30/41/342873041.db2.gz NHHUJKRSGXNNQV-LLVKDONJSA-N 0 0 200.278 2.478 10 30 BEEERN C#C[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000407132709 342894007 /nfs/dbraw/zinc/89/40/07/342894007.db2.gz DUTHFPILHFIMCN-SNVBAGLBSA-N 0 0 247.298 2.062 10 30 BEEERN N#Cc1ccc(N[C@H]2CCC[C@@H](O)C2)c(F)c1 ZINC000608778863 342898189 /nfs/dbraw/zinc/89/81/89/342898189.db2.gz PPKUAGXPZBURNO-WDEREUQCSA-N 0 0 234.274 2.413 10 30 BEEERN CC[C@@H]1CCC[C@H](NC(=O)[C@@H](C)S)C1 ZINC000233908772 342898425 /nfs/dbraw/zinc/89/84/25/342898425.db2.gz PCGHFXOXTHLZNE-BBBLOLIVSA-N 0 0 215.362 2.390 10 30 BEEERN CSCC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000031433463 398325652 /nfs/dbraw/zinc/32/56/52/398325652.db2.gz QHEWGKUHCBJGIE-SECBINFHSA-N 0 0 234.324 2.098 10 30 BEEERN N#CC[C@@H]1NCC2(CC2)c2ccc([N+](=O)[O-])cc21 ZINC000575433999 398327999 /nfs/dbraw/zinc/32/79/99/398327999.db2.gz CCKSVCODNUOMEW-LBPRGKRZSA-N 0 0 243.266 2.184 10 30 BEEERN CC#CCNCc1ccc(Br)o1 ZINC000167691814 346888054 /nfs/dbraw/zinc/88/80/54/346888054.db2.gz IONPFRUYDMXMQE-UHFFFAOYSA-N 0 0 228.089 2.155 10 30 BEEERN C=C(C(=O)OC)[C@@H](O)c1cc(C)ccc1C ZINC000019835320 187206014 /nfs/dbraw/zinc/20/60/14/187206014.db2.gz JHKCEMNZZBGLNG-GFCCVEGCSA-N 0 0 220.268 2.066 10 30 BEEERN C=C(Br)CCC1OCCO1 ZINC000021990735 187206157 /nfs/dbraw/zinc/20/61/57/187206157.db2.gz COJQNROBPRUOQA-UHFFFAOYSA-N 0 0 207.067 2.048 10 30 BEEERN C=C(Cl)CN1C(=O)C(=O)c2ccc(F)cc21 ZINC000019967067 187206236 /nfs/dbraw/zinc/20/62/36/187206236.db2.gz CXCYYQRUDHMAQP-UHFFFAOYSA-N 0 0 239.633 2.108 10 30 BEEERN C=C(C(=O)OC)[C@@H](O)c1ccc(C)c(C)c1 ZINC000019835391 187206285 /nfs/dbraw/zinc/20/62/85/187206285.db2.gz MKSGHKSSWUVCSA-GFCCVEGCSA-N 0 0 220.268 2.066 10 30 BEEERN C/C(=N\[O-])C(=O)CCCCCC[N+](C)(C)C ZINC000020159979 342973226 /nfs/dbraw/zinc/97/32/26/342973226.db2.gz LXRWHEKVAISANU-UHFFFAOYSA-O 0 0 229.344 2.062 10 30 BEEERN C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)O ZINC000111254243 346915640 /nfs/dbraw/zinc/91/56/40/346915640.db2.gz UGECQMLNIGWFGS-MRVPVSSYSA-N 0 0 249.270 2.038 10 30 BEEERN N#Cc1ccc(-n2ccc(C(F)(F)F)n2)nc1 ZINC000043298546 343040353 /nfs/dbraw/zinc/04/03/53/343040353.db2.gz BYWHLVZDCUHRIP-UHFFFAOYSA-N 0 0 238.172 2.158 10 30 BEEERN C#CCN1CCC[C@H]1c1csc(C)n1 ZINC000189783575 187228822 /nfs/dbraw/zinc/22/88/22/187228822.db2.gz XKKLQBDLSNIENK-NSHDSACASA-N 0 0 206.314 2.222 10 30 BEEERN N#CCCN(c1ccc(N)cc1)C1CC1 ZINC000042531235 362006260 /nfs/dbraw/zinc/00/62/60/362006260.db2.gz QQWMTPGTMQDPSC-UHFFFAOYSA-N 0 0 201.273 2.151 10 30 BEEERN N#Cc1ccc(-c2n[nH]c(C(F)(F)F)n2)cc1 ZINC000584880913 343081521 /nfs/dbraw/zinc/08/15/21/343081521.db2.gz SKPRVQXNTBSKIK-UHFFFAOYSA-N 0 0 238.172 2.362 10 30 BEEERN O=C[C@@H]1CCCCN1c1nc(Cl)cs1 ZINC000165391416 343076588 /nfs/dbraw/zinc/07/65/88/343076588.db2.gz MXHQQRFSOQECHH-ZETCQYMHSA-N 0 0 230.720 2.354 10 30 BEEERN C#Cc1ccc2c(c1)[C@](C)(COC)CCO2 ZINC000140679082 343078538 /nfs/dbraw/zinc/07/85/38/343078538.db2.gz WYOZOOHMOLFSDJ-AWEZNQCLSA-N 0 0 216.280 2.355 10 30 BEEERN COC(=O)c1ccccc1C#CC(F)(F)F ZINC000200686707 343118357 /nfs/dbraw/zinc/11/83/57/343118357.db2.gz OUIODKOREXMILI-UHFFFAOYSA-N 0 0 228.169 2.387 10 30 BEEERN C[C@@](O)(C#C[Si](C)(C)C)C(F)(F)F ZINC000201247311 343118927 /nfs/dbraw/zinc/11/89/27/343118927.db2.gz VMUDBYXRQGKKHB-SSDOTTSWSA-N 0 0 210.271 2.181 10 30 BEEERN COC(=O)c1ccc(/C=N/O)c2ccccc12 ZINC000115086696 343120708 /nfs/dbraw/zinc/12/07/08/343120708.db2.gz OFHLRRXUWMUDQG-RIYZIHGNSA-N 0 0 229.235 2.435 10 30 BEEERN CC(=O)c1ccc(F)cc1O[C@H](C)C#N ZINC000062747833 346927734 /nfs/dbraw/zinc/92/77/34/346927734.db2.gz XYBKSLZRXVNWKJ-SSDOTTSWSA-N 0 0 207.204 2.319 10 30 BEEERN N#Cc1ccc(-c2nc(CC3CCC3)no2)[nH]1 ZINC000285262514 187240743 /nfs/dbraw/zinc/24/07/43/187240743.db2.gz XWLOBZSNSPBJSQ-UHFFFAOYSA-N 0 0 228.255 2.279 10 30 BEEERN C[C@@H](C#N)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000043522779 343125586 /nfs/dbraw/zinc/12/55/86/343125586.db2.gz CVQYCLYJPVJRAV-LURJTMIESA-N 0 0 210.164 2.025 10 30 BEEERN Cc1nc(C#N)c(Br)s1 ZINC000000383879 187242358 /nfs/dbraw/zinc/24/23/58/187242358.db2.gz IJNSEMPICXTCQV-UHFFFAOYSA-N 0 0 203.064 2.086 10 30 BEEERN N#CCNc1ccc(Br)cc1C#N ZINC000132717492 343189209 /nfs/dbraw/zinc/18/92/09/343189209.db2.gz JYFBTWSIZTUIHL-UHFFFAOYSA-N 0 0 236.072 2.256 10 30 BEEERN COC(=O)C(C)(C)[C@@H](C#N)c1ccccc1 ZINC000165831416 343237526 /nfs/dbraw/zinc/23/75/26/343237526.db2.gz ZUNCVRYXTFQBKM-NSHDSACASA-N 0 0 217.268 2.493 10 30 BEEERN CCOc1cc(C#N)ccc1O[C@@H](C)C(C)=O ZINC000048402595 343258985 /nfs/dbraw/zinc/25/89/85/343258985.db2.gz ICPWFDHKXGDDOL-JTQLQIEISA-N 0 0 233.267 2.313 10 30 BEEERN N#CCCCCNOCc1ccccc1 ZINC000034223566 343266910 /nfs/dbraw/zinc/26/69/10/343266910.db2.gz YVMDEZYBASAKJL-UHFFFAOYSA-N 0 0 204.273 2.402 10 30 BEEERN C[C@H](C#N)N1CCC(C(F)(F)F)CC1 ZINC000083879683 136286548 /nfs/dbraw/zinc/28/65/48/136286548.db2.gz UIZBFMCLMYVQHL-SSDOTTSWSA-N 0 0 206.211 2.173 10 30 BEEERN CC(C)(C)OC(=O)C1(C#N)CCSCC1 ZINC000146696012 343305143 /nfs/dbraw/zinc/30/51/43/343305143.db2.gz PVKCUKUGDVRLML-UHFFFAOYSA-N 0 0 227.329 2.365 10 30 BEEERN N#CCC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000185880146 343305899 /nfs/dbraw/zinc/30/58/99/343305899.db2.gz APZZICNVRYFTRM-LBPRGKRZSA-N 0 0 232.258 2.233 10 30 BEEERN N#C[C@@]1(NC2CCCCC2)CCSC1 ZINC000037969255 343363286 /nfs/dbraw/zinc/36/32/86/343363286.db2.gz AAAGOCHRGOGTBE-NSHDSACASA-N 0 0 210.346 2.308 10 30 BEEERN COc1ccc(Cl)cc1N=NC1N=CC=N1 ZINC000038174511 343372143 /nfs/dbraw/zinc/37/21/43/343372143.db2.gz ZGNKIQBIVFBJLG-UHFFFAOYSA-N 0 0 236.662 2.187 10 30 BEEERN COc1ccc(C(=O)C[C@H](C)C#N)cc1 ZINC000033426700 187256745 /nfs/dbraw/zinc/25/67/45/187256745.db2.gz IAUJCVJRWZJGEY-VIFPVBQESA-N 0 0 203.241 2.428 10 30 BEEERN CC(C)[C@@H]1CCN(c2cccc(C#N)n2)C1 ZINC000134988614 343351256 /nfs/dbraw/zinc/35/12/56/343351256.db2.gz JHNHHTGLKNDTIH-LLVKDONJSA-N 0 0 215.300 2.436 10 30 BEEERN CC(=O)O[C@@H](C#N)c1ccccc1Cl ZINC000034273142 187257676 /nfs/dbraw/zinc/25/76/76/187257676.db2.gz VAETWAPFKJBFDQ-JTQLQIEISA-N 0 0 209.632 2.468 10 30 BEEERN N#CCCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000408371365 133478467 /nfs/dbraw/zinc/47/84/67/133478467.db2.gz WWYWDSDDALYIEA-NWDGAFQWSA-N 0 0 220.316 2.233 10 30 BEEERN CC(=O)Nc1ccc(N[C@H](C)CC#N)cc1 ZINC000037871092 187261123 /nfs/dbraw/zinc/26/11/23/187261123.db2.gz JVGSDZOOJVNOCL-SECBINFHSA-N 0 0 217.272 2.359 10 30 BEEERN CC(C)CN[C@@H](C#N)c1ccc(C#N)cc1 ZINC000037939197 187260843 /nfs/dbraw/zinc/26/08/43/187260843.db2.gz DOYGVZDJNLNHFE-ZDUSSCGKSA-N 0 0 213.284 2.369 10 30 BEEERN CC(C)n1cccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000335737430 136350990 /nfs/dbraw/zinc/35/09/90/136350990.db2.gz DUZIJLFUWAULJB-VXGBXAGGSA-N 0 0 245.326 2.491 10 30 BEEERN C[C@@H]1OCC[C@@H]1NC(=O)c1ccnc(C2CC2)c1 ZINC000329338452 136365285 /nfs/dbraw/zinc/36/52/85/136365285.db2.gz QNKCFOXAYJWEGH-CABZTGNLSA-N 0 0 246.310 2.441 10 30 BEEERN Cc1ccnc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)n1 ZINC000329328905 136365332 /nfs/dbraw/zinc/36/53/32/136365332.db2.gz KSCFADUFSFAJNZ-GHMZBOCLSA-N 0 0 249.314 2.434 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)C[C@@H]1CCCCNC1=O ZINC000329440888 136365949 /nfs/dbraw/zinc/36/59/49/136365949.db2.gz MWNYZBNYIZDXFP-UTLUCORTSA-N 0 0 224.304 2.498 10 30 BEEERN C[C@H](CC1CC1)NC(=O)Cc1cncnc1 ZINC000329445655 136366008 /nfs/dbraw/zinc/36/60/08/136366008.db2.gz CJXXOPYSMMDOAD-SECBINFHSA-N 0 0 219.288 2.164 10 30 BEEERN CCOc1ccccc1[C@H](C)NCC#N ZINC000271787859 136374931 /nfs/dbraw/zinc/37/49/31/136374931.db2.gz QEFJXNZDBUGDMZ-JTQLQIEISA-N 0 0 204.273 2.259 10 30 BEEERN C[C@H](Sc1ccccc1F)/C(N)=N/O ZINC000043517066 343476799 /nfs/dbraw/zinc/47/67/99/343476799.db2.gz TVQGZXZKPOZOOT-LURJTMIESA-N 0 0 214.265 2.053 10 30 BEEERN Cc1cc(Cl)cc2c1O[C@@H](C#N)CN2 ZINC000158995449 346944698 /nfs/dbraw/zinc/94/46/98/346944698.db2.gz VFBRZALKGLEXEC-QMMMGPOBSA-N 0 0 208.648 2.345 10 30 BEEERN C=C(C)n1c2cc(C)c(C)cc2n(CC#N)c1=O ZINC000040311272 187263078 /nfs/dbraw/zinc/26/30/78/187263078.db2.gz YQLHBRAJBCUXOP-UHFFFAOYSA-N 0 0 241.294 2.434 10 30 BEEERN N#CCCn1cc([N+](=O)[O-])ccc1=S ZINC000039124788 187263334 /nfs/dbraw/zinc/26/33/34/187263334.db2.gz WNYHTLHAKMUUDF-UHFFFAOYSA-N 0 0 209.230 2.039 10 30 BEEERN N#CCCN(c1cc(N)cc(F)c1)C1CC1 ZINC000042531287 187265597 /nfs/dbraw/zinc/26/55/97/187265597.db2.gz OOWDEHXOKPDLNT-UHFFFAOYSA-N 0 0 219.263 2.290 10 30 BEEERN N#CCCN[C@H]1CCCc2cc(O)ccc21 ZINC000044746944 187268121 /nfs/dbraw/zinc/26/81/21/187268121.db2.gz LAOLWNQVYDAUHB-ZDUSSCGKSA-N 0 0 216.284 2.273 10 30 BEEERN COC(OC)/C(C)=N/Cc1ccccc1 ZINC000205747494 343649037 /nfs/dbraw/zinc/64/90/37/343649037.db2.gz QYRMWAZQMYVFAL-JLHYYAGUSA-N 0 0 207.273 2.266 10 30 BEEERN Cc1ccc([C@@H](C)Nc2cnc(C#N)cn2)o1 ZINC000071177884 343625381 /nfs/dbraw/zinc/62/53/81/343625381.db2.gz VWWMWUKLPRHGEZ-SECBINFHSA-N 0 0 228.255 2.423 10 30 BEEERN C#CCN[C@@H](C#N)c1ccccc1Cl ZINC000051962902 343630200 /nfs/dbraw/zinc/63/02/00/343630200.db2.gz CJOIHEUXDMHVHE-NSHDSACASA-N 0 0 204.660 2.127 10 30 BEEERN N#Cc1c(OC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000114234544 343633129 /nfs/dbraw/zinc/63/31/29/343633129.db2.gz ULTSZDKDOKIDBL-VIFPVBQESA-N 0 0 248.238 2.024 10 30 BEEERN C=CCCCN[C@@H](C(=O)OC)C(C)(C)C ZINC000119145285 343655585 /nfs/dbraw/zinc/65/55/85/343655585.db2.gz KSPNTPUHPYOHGU-JTQLQIEISA-N 0 0 213.321 2.130 10 30 BEEERN COc1ccccc1[C@H](C)N[C@@H](C)C#N ZINC000088162751 343709453 /nfs/dbraw/zinc/70/94/53/343709453.db2.gz YFZJKQILQPIFMN-UWVGGRQHSA-N 0 0 204.273 2.258 10 30 BEEERN CSc1ccc(/C(N)=N/O)c(Cl)c1 ZINC000061856630 343729488 /nfs/dbraw/zinc/72/94/88/343729488.db2.gz YIVXZDQHCVEEKO-UHFFFAOYSA-N 0 0 216.693 2.156 10 30 BEEERN CCOC(=O)C#Cc1cccc2ncccc12 ZINC000157735964 343791549 /nfs/dbraw/zinc/79/15/49/343791549.db2.gz SHUVDBZHFHKBFQ-UHFFFAOYSA-N 0 0 225.247 2.149 10 30 BEEERN OCCC#Cc1nc2ccccc2s1 ZINC000207480544 343791738 /nfs/dbraw/zinc/79/17/38/343791738.db2.gz RUXXHAMMKJUMCI-UHFFFAOYSA-N 0 0 203.266 2.030 10 30 BEEERN Cc1cc(-c2ccsc2)nn1CC=O ZINC000409440563 343853000 /nfs/dbraw/zinc/85/30/00/343853000.db2.gz NIERDNHHNOHYDN-UHFFFAOYSA-N 0 0 206.270 2.119 10 30 BEEERN C#CCn1cc(CC#N)c(-c2ccccc2)n1 ZINC000409440843 343855967 /nfs/dbraw/zinc/85/59/67/343855967.db2.gz VDCLNUMTIJPZCU-UHFFFAOYSA-N 0 0 221.263 2.249 10 30 BEEERN O=CC1(COc2ccc(C(F)(F)F)cn2)CC1 ZINC000409432957 343828781 /nfs/dbraw/zinc/82/87/81/343828781.db2.gz QRXHQHZJRQUFIF-UHFFFAOYSA-N 0 0 245.200 2.458 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1Cc1cccc(C#N)c1F ZINC000334177585 343830272 /nfs/dbraw/zinc/83/02/72/343830272.db2.gz ATLYHIHKJUHYEN-GHMZBOCLSA-N 0 0 248.301 2.307 10 30 BEEERN C=CCn1c(=O)[nH]c(=S)cc1-c1ccccc1 ZINC000409437647 343843207 /nfs/dbraw/zinc/84/32/07/343843207.db2.gz HZNTXRQVTXGFJS-UHFFFAOYSA-N 0 0 244.319 2.385 10 30 BEEERN CCc1[nH]nc(-c2cccnc2)c1CCC#N ZINC000409438437 343844205 /nfs/dbraw/zinc/84/42/05/343844205.db2.gz DKBOLHFHZAHVNY-UHFFFAOYSA-N 0 0 226.283 2.490 10 30 BEEERN CCc1[nH]nc(-c2ccccn2)c1CCC#N ZINC000409439479 343847573 /nfs/dbraw/zinc/84/75/73/343847573.db2.gz IKARACMGACOMKJ-UHFFFAOYSA-N 0 0 226.283 2.490 10 30 BEEERN C#CCn1ccn2ncc(-c3ccccc3)c12 ZINC000409438367 343850738 /nfs/dbraw/zinc/85/07/38/343850738.db2.gz MEMGHBKGALSNFE-UHFFFAOYSA-N 0 0 221.263 2.436 10 30 BEEERN CC(C)c1cc(-c2ccccn2)nn1CC=O ZINC000409438383 343850876 /nfs/dbraw/zinc/85/08/76/343850876.db2.gz DDRGEJFEHKOUJA-UHFFFAOYSA-N 0 0 229.283 2.267 10 30 BEEERN CCOC(=O)C#Cc1nccc2sccc21 ZINC000585143906 343878595 /nfs/dbraw/zinc/87/85/95/343878595.db2.gz SDUSRQDPCVVDNB-UHFFFAOYSA-N 0 0 231.276 2.211 10 30 BEEERN COC(=O)[C@]1(C)O[C@]12CCCC21CCCC1 ZINC000328234892 537828704 /nfs/dbraw/zinc/82/87/04/537828704.db2.gz FLLCLZXBGAVZDL-WCQYABFASA-N 0 0 224.300 2.431 10 30 BEEERN C=C(Br)COc1cccnc1 ZINC000157799645 343859625 /nfs/dbraw/zinc/85/96/25/343859625.db2.gz HUFACFOOZJOWBS-UHFFFAOYSA-N 0 0 214.062 2.369 10 30 BEEERN C#CCn1nc(-c2ccsc2)cc1C(=O)OC ZINC000409442823 343864646 /nfs/dbraw/zinc/86/46/46/343864646.db2.gz BFWKZVHOFLXBAC-UHFFFAOYSA-N 0 0 246.291 2.031 10 30 BEEERN CC#C[C@H](O)c1ccc(OC)c(Cl)c1 ZINC000306650392 343875232 /nfs/dbraw/zinc/87/52/32/343875232.db2.gz FLAKACSEMZUZDE-JTQLQIEISA-N 0 0 210.660 2.405 10 30 BEEERN C#CCOc1c(F)c(F)c(F)c(F)c1F ZINC000042012004 187354319 /nfs/dbraw/zinc/35/43/19/187354319.db2.gz OLBNJTXXERIIEB-UHFFFAOYSA-N 0 0 222.112 2.394 10 30 BEEERN C[C@@H]1CCC[C@@H](NC(=O)C#CBr)C1 ZINC000307530809 343941002 /nfs/dbraw/zinc/94/10/02/343941002.db2.gz RVLPSWJWWGPSHN-RKDXNWHRSA-N 0 0 244.132 2.037 10 30 BEEERN O=CCSc1ccc(Br)cn1 ZINC000070615398 343952986 /nfs/dbraw/zinc/95/29/86/343952986.db2.gz KJAIIZVLYZKFCZ-UHFFFAOYSA-N 0 0 232.102 2.135 10 30 BEEERN CS(=O)(=O)O[C@@H]1CCC[C@H]1c1ccccc1 ZINC000306241283 344088065 /nfs/dbraw/zinc/08/80/65/344088065.db2.gz SFERAMFJIXTVBG-NWDGAFQWSA-N 0 0 240.324 2.299 10 30 BEEERN CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CCO1 ZINC000251645888 344122109 /nfs/dbraw/zinc/12/21/09/344122109.db2.gz NBUSJKBFWLUPOP-UMSGYPCISA-N 0 0 222.332 2.226 10 30 BEEERN C#Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000585143008 344176243 /nfs/dbraw/zinc/17/62/43/344176243.db2.gz UOMGWRHTDQAERO-UHFFFAOYSA-N 0 0 200.216 2.052 10 30 BEEERN COCC#Cc1cccc(C(F)(F)F)n1 ZINC000585145293 344180346 /nfs/dbraw/zinc/18/03/46/344180346.db2.gz LMGYWWMYYOORCR-UHFFFAOYSA-N 0 0 215.174 2.098 10 30 BEEERN C=C(C)CN(CC)C(=O)NCc1cscn1 ZINC000127388569 344272458 /nfs/dbraw/zinc/27/24/58/344272458.db2.gz ZPVIJWCRRPTCTG-UHFFFAOYSA-N 0 0 239.344 2.251 10 30 BEEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000309386206 347045346 /nfs/dbraw/zinc/04/53/46/347045346.db2.gz MGMYERWRGQDIKG-UHFFFAOYSA-N 0 0 229.157 2.364 10 30 BEEERN C=C[C@H](O)c1ccoc1Br ZINC000236546351 344395433 /nfs/dbraw/zinc/39/54/33/344395433.db2.gz MNNSNIDHBBPNPZ-LURJTMIESA-N 0 0 203.035 2.262 10 30 BEEERN C[C@@H](C#N)Oc1cc(N)ccc1Br ZINC000217108860 344502655 /nfs/dbraw/zinc/50/26/55/344502655.db2.gz NHLRLGNGZDNTKK-LURJTMIESA-N 0 0 241.088 2.322 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NCC(F)(F)F ZINC000054824491 344456390 /nfs/dbraw/zinc/45/63/90/344456390.db2.gz KNDJKEHJMZVAAZ-SFYZADRCSA-N 0 0 206.211 2.221 10 30 BEEERN N#Cc1cc([C@@H]2CCCO2)nc(C2CC2)n1 ZINC000409440786 344463310 /nfs/dbraw/zinc/46/33/10/344463310.db2.gz ZLKOYZISIMVDMZ-NSHDSACASA-N 0 0 215.256 2.077 10 30 BEEERN CCOc1ccc([C@H](C)NCC#N)cc1 ZINC000120205013 347052291 /nfs/dbraw/zinc/05/22/91/347052291.db2.gz OXRZLZWYKUKLFL-JTQLQIEISA-N 0 0 204.273 2.259 10 30 BEEERN N#Cc1cnc2c(Cl)ncc(F)c2c1 ZINC000217080955 344478406 /nfs/dbraw/zinc/47/84/06/344478406.db2.gz VURFKVWVLLJDIC-UHFFFAOYSA-N 0 0 207.595 2.294 10 30 BEEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)cs1 ZINC000381146782 344478735 /nfs/dbraw/zinc/47/87/35/344478735.db2.gz KNXSAHKKOCOICA-ONGXEEELSA-N 0 0 234.324 2.479 10 30 BEEERN COc1cccnc1C1=CC(=O)CCC1 ZINC000234936873 344485525 /nfs/dbraw/zinc/48/55/25/344485525.db2.gz LDLVFAFQLACDKW-UHFFFAOYSA-N 0 0 203.241 2.227 10 30 BEEERN CC[C@@H](CC#N)Nc1nc(C)nc(C)c1F ZINC000310000217 344494179 /nfs/dbraw/zinc/49/41/79/344494179.db2.gz DOIVICLTFXKOTJ-VIFPVBQESA-N 0 0 222.267 2.337 10 30 BEEERN COc1cc(Br)c(O)c(CC#N)c1 ZINC000217114723 344516011 /nfs/dbraw/zinc/51/60/11/344516011.db2.gz BZJGDHKLTSAJRR-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN C#C[C@H](NN)c1cc(Cl)cc(Cl)c1 ZINC000158100921 344543778 /nfs/dbraw/zinc/54/37/78/344543778.db2.gz XOHRXFBRXWRRQP-VIFPVBQESA-N 0 0 215.083 2.131 10 30 BEEERN CC(C)(C#N)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000110444781 344555803 /nfs/dbraw/zinc/55/58/03/344555803.db2.gz SRKJDIXIDZEQKY-STQMWFEESA-N 0 0 242.322 2.456 10 30 BEEERN N#CCCCn1cc(-c2ccccc2N)cn1 ZINC000104061006 187291691 /nfs/dbraw/zinc/29/16/91/187291691.db2.gz VHAPIMICXHMUGJ-UHFFFAOYSA-N 0 0 226.283 2.436 10 30 BEEERN N#Cc1ccc(N)c(F)c1OC(F)(F)F ZINC000396142176 344616293 /nfs/dbraw/zinc/61/62/93/344616293.db2.gz HRVNSXAKPDXABM-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN N#Cc1cc(OC(F)(F)F)c(N)cc1F ZINC000396145252 344618647 /nfs/dbraw/zinc/61/86/47/344618647.db2.gz SDPOUFZLIIKFOC-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN COc1nc(CC#N)ccc1C(F)(F)F ZINC000396100996 344602373 /nfs/dbraw/zinc/60/23/73/344602373.db2.gz FYEANRLMWFGWHW-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1cc(C(F)(F)F)cc([N+](=O)[O-])n1 ZINC000396118816 344607968 /nfs/dbraw/zinc/60/79/68/344607968.db2.gz ITVKMTPLFCXYFM-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C#CCNc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000227621512 344664961 /nfs/dbraw/zinc/66/49/61/344664961.db2.gz PUGRVCBEAVLOKU-UHFFFAOYSA-N 0 0 247.298 2.474 10 30 BEEERN Cc1cc(N2CCC3(CC3)C2)cc(C#N)n1 ZINC000400423734 344672430 /nfs/dbraw/zinc/67/24/30/344672430.db2.gz ZFMPQNOPONBZEU-UHFFFAOYSA-N 0 0 213.284 2.252 10 30 BEEERN C#CC[C@@H](C)NC(=O)c1sccc1C ZINC000127750532 344639549 /nfs/dbraw/zinc/63/95/49/344639549.db2.gz FSZQZRYIQXNISI-SECBINFHSA-N 0 0 207.298 2.198 10 30 BEEERN C[C@H](CC#N)NC(=O)Nc1ccccc1 ZINC000050337055 344782986 /nfs/dbraw/zinc/78/29/86/344782986.db2.gz RHOBFOGGSZSTFE-SECBINFHSA-N 0 0 203.245 2.110 10 30 BEEERN CSC1(CNC2=CC(=O)CC2)CCC1 ZINC000235213242 344846593 /nfs/dbraw/zinc/84/65/93/344846593.db2.gz IBGRTTOAVUESPZ-UHFFFAOYSA-N 0 0 211.330 2.109 10 30 BEEERN CCOC(=O)C[C@]1([C@@H]2CO2)CC[C@@H](C)C1 ZINC000675053268 537866686 /nfs/dbraw/zinc/86/66/86/537866686.db2.gz MCGARPKITWGZSL-SCVCMEIPSA-N 0 0 212.289 2.145 10 30 BEEERN CCCCC[C@]1(C)O[C@H]1C(=O)OCC ZINC000087649332 537867408 /nfs/dbraw/zinc/86/74/08/537867408.db2.gz FDBNVPHYLGHYHH-ONGXEEELSA-N 0 0 200.278 2.287 10 30 BEEERN C[C@@H](S)C(=O)NCc1ccccc1Cl ZINC000235282219 344872478 /nfs/dbraw/zinc/87/24/78/344872478.db2.gz AMVSXENUZGPDAI-SSDOTTSWSA-N 0 0 229.732 2.275 10 30 BEEERN C[C@H](S)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000235294316 344875598 /nfs/dbraw/zinc/87/55/98/344875598.db2.gz KPXVNPBKIARMLY-UTLUCORTSA-N 0 0 215.362 2.247 10 30 BEEERN Cc1cc(NC(=O)[C@@H](C)S)ccc1F ZINC000235297936 344876344 /nfs/dbraw/zinc/87/63/44/344876344.db2.gz XFSKRNRTEKYTCY-SSDOTTSWSA-N 0 0 213.277 2.391 10 30 BEEERN CC(C)(C#N)C(=O)NC[C@H]1C[C@H]1c1ccccc1 ZINC000110444784 534974482 /nfs/dbraw/zinc/97/44/82/534974482.db2.gz SRKJDIXIDZEQKY-OLZOCXBDSA-N 0 0 242.322 2.456 10 30 BEEERN C[C@H](/C=C/c1ccccc1)[C@@H](O)CC=O ZINC000135769101 344889100 /nfs/dbraw/zinc/88/91/00/344889100.db2.gz OMUXWFALELSRNZ-HOVLTTNMSA-N 0 0 204.269 2.286 10 30 BEEERN C[C@@H]1CC(NC(=O)CCS)C[C@@H](C)C1 ZINC000235360747 344893983 /nfs/dbraw/zinc/89/39/83/344893983.db2.gz HFWRTIPBQZZNPH-IUCAKERBSA-N 0 0 215.362 2.247 10 30 BEEERN N#Cc1c(F)ccc(F)c1OC(F)F ZINC000307097659 344896497 /nfs/dbraw/zinc/89/64/97/344896497.db2.gz FWHYYKSBGOXAAK-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN N#Cc1cnc(N2CCC[C@H]2C2CCC2)cn1 ZINC000123688159 187295709 /nfs/dbraw/zinc/29/57/09/187295709.db2.gz LRAQUKACNDUGKL-LBPRGKRZSA-N 0 0 228.299 2.117 10 30 BEEERN N#Cc1ccc(CF)c(OC(F)(F)F)n1 ZINC000238692142 344934981 /nfs/dbraw/zinc/93/49/81/344934981.db2.gz XHGVDJYQEXKPCY-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN Cc1ccc(O)c(C(=O)N(CCC#N)C2CC2)c1 ZINC000044415040 178784813 /nfs/dbraw/zinc/78/48/13/178784813.db2.gz YIDAJPQTZPIPGZ-UHFFFAOYSA-N 0 0 244.294 2.219 10 30 BEEERN CC[C@H](C#N)NC(=O)C(C)(C)c1cccs1 ZINC000123571163 345005101 /nfs/dbraw/zinc/00/51/01/345005101.db2.gz AFHOFTUZRFQHQO-SECBINFHSA-N 0 0 236.340 2.444 10 30 BEEERN COC(=O)c1ccc2c(c1)CC[C@@H](C#N)C2 ZINC000166737256 345007321 /nfs/dbraw/zinc/00/73/21/345007321.db2.gz UXSBRWXUUBSFBD-SECBINFHSA-N 0 0 215.252 2.102 10 30 BEEERN CCc1ccnc(Br)c1C#N ZINC000238317238 345021470 /nfs/dbraw/zinc/02/14/70/345021470.db2.gz MXJRYHCFPADNSU-UHFFFAOYSA-N 0 0 211.062 2.278 10 30 BEEERN COC(=O)c1cc(C)c(C#N)cc1Cl ZINC000238348768 345027390 /nfs/dbraw/zinc/02/73/90/345027390.db2.gz NGVQNUBJDQWYLN-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN COc1cccc(C#N)c1OC(F)(F)F ZINC000238360884 345032052 /nfs/dbraw/zinc/03/20/52/345032052.db2.gz YGTQLZKAYMDSCR-UHFFFAOYSA-N 0 0 217.146 2.465 10 30 BEEERN N#CCc1cncc(OC(F)(F)F)c1 ZINC000238543541 345074058 /nfs/dbraw/zinc/07/40/58/345074058.db2.gz HRMQTCWKDKWKQH-UHFFFAOYSA-N 0 0 202.135 2.046 10 30 BEEERN C=C(Br)CN1CCO[C@H]2CCC[C@H]21 ZINC000306163138 345079891 /nfs/dbraw/zinc/07/98/91/345079891.db2.gz QZTPMUUCHCSBEE-ZJUUUORDSA-N 0 0 246.148 2.148 10 30 BEEERN Cc1ccc(C#N)c(NCC[C@H]2CCCO2)n1 ZINC000044419529 345060222 /nfs/dbraw/zinc/06/02/22/345060222.db2.gz KBFHNWYGJABTCK-GFCCVEGCSA-N 0 0 231.299 2.243 10 30 BEEERN Cc1cc(OC(F)(F)F)cnc1C#N ZINC000238495110 345060224 /nfs/dbraw/zinc/06/02/24/345060224.db2.gz JPOHYJLDXLAGHO-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN C=CCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116412636 345161601 /nfs/dbraw/zinc/16/16/01/345161601.db2.gz HEGIMPRWTCDUAY-JTQLQIEISA-N 0 0 220.272 2.312 10 30 BEEERN FC(F)(F)c1ccncc1C[C@H]1CO1 ZINC000225456464 345152854 /nfs/dbraw/zinc/15/28/54/345152854.db2.gz PNDYBRIEJGGGFU-ZETCQYMHSA-N 0 0 203.163 2.042 10 30 BEEERN CC1(C)C[C@](Br)(C#N)CCO1 ZINC000127637565 345208700 /nfs/dbraw/zinc/20/87/00/345208700.db2.gz LRPCJFNETGDOGP-QMMMGPOBSA-N 0 0 218.094 2.233 10 30 BEEERN N#Cc1ccc(N2CCCCN2)cc1Cl ZINC000400647683 345368150 /nfs/dbraw/zinc/36/81/50/345368150.db2.gz LPEHVMDOWMGSRQ-UHFFFAOYSA-N 0 0 221.691 2.316 10 30 BEEERN C[C@H]1CN[C@H](c2ccccc2C#N)S1 ZINC000235690986 345408583 /nfs/dbraw/zinc/40/85/83/345408583.db2.gz GVEPJXJDBXEPHE-KWQFWETISA-N 0 0 204.298 2.282 10 30 BEEERN CC[C@@](C)(C#N)C(=O)Nc1onc(C)c1C ZINC000136265810 345493905 /nfs/dbraw/zinc/49/39/05/345493905.db2.gz WLJJEEMVDXVEMB-NSHDSACASA-N 0 0 221.260 2.170 10 30 BEEERN C=C(Cl)CNc1cc(Cl)ncn1 ZINC000229315342 345501697 /nfs/dbraw/zinc/50/16/97/345501697.db2.gz CIAKXWOOCANRPO-UHFFFAOYSA-N 0 0 204.060 2.294 10 30 BEEERN Cc1ccc([C@H](C#N)NC[C@@H]2CCCO2)s1 ZINC000041675317 178882716 /nfs/dbraw/zinc/88/27/16/178882716.db2.gz KVCOKUXTOAHIKT-QWRGUYRKSA-N 0 0 236.340 2.390 10 30 BEEERN CCC(=NC1Cc2ccccc2C1)NC#N ZINC000136838583 345799086 /nfs/dbraw/zinc/79/90/86/345799086.db2.gz ZZUIRMUXWSYYEX-UHFFFAOYSA-N 0 0 213.284 2.033 10 30 BEEERN CC(=O)C=C(C)NCCc1ccccc1 ZINC000167738830 345799240 /nfs/dbraw/zinc/79/92/40/345799240.db2.gz VUGCWIBCRLMVFT-ZHACJKMWSA-N 0 0 203.285 2.312 10 30 BEEERN C=C(C)COC(C)(C)COC(C)(C)CO ZINC000140060265 345805155 /nfs/dbraw/zinc/80/51/55/345805155.db2.gz QSZCPGMPLJTNHH-UHFFFAOYSA-N 0 0 216.321 2.145 10 30 BEEERN C=CCOC(=O)N1O[C@H]1c1ccccc1 ZINC000169024232 345837336 /nfs/dbraw/zinc/83/73/36/345837336.db2.gz AKOFKIRYIXNRMB-NUHJPDEHSA-N 0 0 205.213 2.255 10 30 BEEERN CC(C)(C)OC(=O)NC[C@@H](C=O)c1ccccc1 ZINC000137275344 345840700 /nfs/dbraw/zinc/84/07/00/345840700.db2.gz KRNRHNFYUAEYFC-LBPRGKRZSA-N 0 0 249.310 2.494 10 30 BEEERN CC(C)COCCNc1ncccc1C#N ZINC000076847826 187360259 /nfs/dbraw/zinc/36/02/59/187360259.db2.gz JZRHLSYBIHQRSB-UHFFFAOYSA-N 0 0 219.288 2.038 10 30 BEEERN C#C[C@@H](C)Nc1cc(Cl)nnc1Cl ZINC000166915254 345953795 /nfs/dbraw/zinc/95/37/95/345953795.db2.gz BQPPXNMZIHPVRQ-RXMQYKEDSA-N 0 0 216.071 2.217 10 30 BEEERN C[C@H]1C[C@@H](C(=O)NCC#N)CC(C)(C)C1 ZINC000184209496 345941173 /nfs/dbraw/zinc/94/11/73/345941173.db2.gz VQNFBNKUSPOLMU-VHSXEESVSA-N 0 0 208.305 2.089 10 30 BEEERN C=CCCc1nc2cccc(OC)c2[nH]c1=O ZINC000145793915 345944145 /nfs/dbraw/zinc/94/41/45/345944145.db2.gz WFQSGFVPPZLNMI-UHFFFAOYSA-N 0 0 230.267 2.463 10 30 BEEERN C#CCSc1nnc(Cc2ccccc2)o1 ZINC000006292454 187363574 /nfs/dbraw/zinc/36/35/74/187363574.db2.gz VZMSAOPXKXTJHG-UHFFFAOYSA-N 0 0 230.292 2.386 10 30 BEEERN C/C=C\C[C@@H](C=O)NC(=O)OC(C)(C)C ZINC000013588587 187363728 /nfs/dbraw/zinc/36/37/28/187363728.db2.gz RSBUTZZRCGSLFK-UDIARPCQSA-N 0 0 213.277 2.045 10 30 BEEERN C=C(Cl)CN1C(=O)C(=O)c2cc(F)ccc21 ZINC000019967131 187315419 /nfs/dbraw/zinc/31/54/19/187315419.db2.gz JQOCTMBVNABTFM-UHFFFAOYSA-N 0 0 239.633 2.108 10 30 BEEERN N#CC[S@](=O)Cc1ccccc1Cl ZINC000236044984 346186561 /nfs/dbraw/zinc/18/65/61/346186561.db2.gz FOSLBJIBZWQKDV-ZDUSSCGKSA-N 0 0 213.689 2.112 10 30 BEEERN N#Cc1nc(OCc2ccccc2)ccc1N ZINC000236354680 346228554 /nfs/dbraw/zinc/22/85/54/346228554.db2.gz HLLAQQSHQHHYEX-UHFFFAOYSA-N 0 0 225.251 2.114 10 30 BEEERN O=CCCc1coc(Br)c1 ZINC000148489090 346234584 /nfs/dbraw/zinc/23/45/84/346234584.db2.gz YJUWPPBVVLFNNO-UHFFFAOYSA-N 0 0 203.035 2.174 10 30 BEEERN CCCCCCC[C@H](C)S(=O)(=O)NC ZINC000669375859 537958451 /nfs/dbraw/zinc/95/84/51/537958451.db2.gz XCGHAIYVCPPLQY-JTQLQIEISA-N 0 0 221.366 2.285 10 30 BEEERN C#CC[C@@H](O)c1ccoc1Br ZINC000236552121 346250142 /nfs/dbraw/zinc/25/01/42/346250142.db2.gz SLCOZZADYLIOEO-SSDOTTSWSA-N 0 0 215.046 2.099 10 30 BEEERN O=C(CCS)N1CC[C@@H]2CCCC[C@@H]21 ZINC000236567076 346251321 /nfs/dbraw/zinc/25/13/21/346251321.db2.gz KERYOWWBTBGFFI-UWVGGRQHSA-N 0 0 213.346 2.097 10 30 BEEERN Cc1cccc(CC(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061888562 179052632 /nfs/dbraw/zinc/05/26/32/179052632.db2.gz DKVZBXBIJXCUHX-KBPBESRZSA-N 0 0 242.322 2.346 10 30 BEEERN Cc1nc(C#N)sc1-c1nccc(C)n1 ZINC000669379603 537980623 /nfs/dbraw/zinc/98/06/23/537980623.db2.gz GOOQLGQLKGTCFL-UHFFFAOYSA-N 0 0 216.269 2.089 10 30 BEEERN Cc1ccc(O)c(C#N)c1Br ZINC000148803522 346452414 /nfs/dbraw/zinc/45/24/14/346452414.db2.gz XBMYCFLFZOAPHQ-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN Cc1cccc(Cn2c(C)ccc(C#N)c2=O)c1 ZINC000049829288 179109528 /nfs/dbraw/zinc/10/95/28/179109528.db2.gz JWKPJCIHHFOCFP-UHFFFAOYSA-N 0 0 238.290 2.385 10 30 BEEERN C=C(C)COCCNc1ccc(SC)nn1 ZINC000301676821 346589882 /nfs/dbraw/zinc/58/98/82/346589882.db2.gz QTINQLKDLRVQKL-UHFFFAOYSA-N 0 0 239.344 2.203 10 30 BEEERN N#Cc1cccnc1N1CC[C@@H](C(F)F)C1 ZINC000588040598 346627947 /nfs/dbraw/zinc/62/79/47/346627947.db2.gz FVRLNHMKTOAWBU-SECBINFHSA-N 0 0 223.226 2.045 10 30 BEEERN Cc1ccnc(N2CC[C@@H](C(F)F)C2)c1C#N ZINC000588040519 346627994 /nfs/dbraw/zinc/62/79/94/346627994.db2.gz BCBHRIDYKBRFIH-SECBINFHSA-N 0 0 237.253 2.353 10 30 BEEERN N#Cc1c(N)snc1-c1ccc(F)cc1 ZINC000205392592 346675367 /nfs/dbraw/zinc/67/53/67/346675367.db2.gz BZNBEZTUIAQCFV-UHFFFAOYSA-N 0 0 219.244 2.403 10 30 BEEERN Cc1cncc(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000309703626 347145030 /nfs/dbraw/zinc/14/50/30/347145030.db2.gz NOIKFRVKPNVDEY-QWHCGFSZSA-N 0 0 215.300 2.172 10 30 BEEERN CCN(CC[C@H]1CO1)C(=O)OCc1ccccc1 ZINC000038954634 347171284 /nfs/dbraw/zinc/17/12/84/347171284.db2.gz YOMHVLAZXFHAIY-ZDUSSCGKSA-N 0 0 249.310 2.434 10 30 BEEERN Cc1ncccc1CN[C@H]1CCC[C@@H]1C#N ZINC000309836558 347183867 /nfs/dbraw/zinc/18/38/67/347183867.db2.gz BJARLADFOGDJCB-YPMHNXCESA-N 0 0 215.300 2.172 10 30 BEEERN N#CC1=NN(c2ccccc2)N(c2ccccc2)N1 ZINC000060003841 347238245 /nfs/dbraw/zinc/23/82/45/347238245.db2.gz FJMPZWOQMLJCRS-UHFFFAOYSA-N 0 0 249.277 2.270 10 30 BEEERN Cc1cccc2c1ncc(C#N)c2N(C)C ZINC000062570435 179211191 /nfs/dbraw/zinc/21/11/91/179211191.db2.gz SBSOSJIWRYSLPW-UHFFFAOYSA-N 0 0 211.268 2.481 10 30 BEEERN N#C[C@@H]1CCCN(Cc2ccccc2)C(=O)C1 ZINC000146127580 347391604 /nfs/dbraw/zinc/39/16/04/347391604.db2.gz IEJDTJRLQLYCSY-CYBMUJFWSA-N 0 0 228.295 2.339 10 30 BEEERN Cc1c(Br)ccc(N)c1C#N ZINC000149679741 347423805 /nfs/dbraw/zinc/42/38/05/347423805.db2.gz NFJSIWUQYGVKTE-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN Cc1ccccc1C(=O)CN(C)[C@H](C)CC#N ZINC000063087414 179246237 /nfs/dbraw/zinc/24/62/37/179246237.db2.gz KQZRXVLGYIPAAE-GFCCVEGCSA-N 0 0 230.311 2.412 10 30 BEEERN CCn1cc(-c2sc(C#N)nc2C)cn1 ZINC000669380890 537992537 /nfs/dbraw/zinc/99/25/37/537992537.db2.gz RJCBWZYYOINHBJ-UHFFFAOYSA-N 0 0 218.285 2.207 10 30 BEEERN Cc1ccccc1NC(=O)[C@@H](C)CC#N ZINC000049812389 179302120 /nfs/dbraw/zinc/30/21/20/179302120.db2.gz VMQUEJQEGBPEAR-JTQLQIEISA-N 0 0 202.257 2.483 10 30 BEEERN CC1CC(C(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000593362853 347883094 /nfs/dbraw/zinc/88/30/94/347883094.db2.gz CRUFTXGCYHEEAS-UHFFFAOYSA-N 0 0 240.306 2.447 10 30 BEEERN C=CCc1ccc(C(=O)OC)c(C)c1O ZINC000118876775 348071410 /nfs/dbraw/zinc/07/14/10/348071410.db2.gz NMNJTRDTMBGTNF-UHFFFAOYSA-N 0 0 206.241 2.216 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC000595695592 348306023 /nfs/dbraw/zinc/30/60/23/348306023.db2.gz WRZSWKPTWZXVCV-WCQYABFASA-N 0 0 233.290 2.393 10 30 BEEERN CN(c1nc(C#N)ccc1Cl)C1CC1 ZINC000669382008 538001998 /nfs/dbraw/zinc/00/19/98/538001998.db2.gz DVPYOMIIYNKAFV-UHFFFAOYSA-N 0 0 207.664 2.205 10 30 BEEERN CCn1cc(CN[C@H]2CCCC[C@H]2C#N)cn1 ZINC000595690341 348315663 /nfs/dbraw/zinc/31/56/63/348315663.db2.gz QLHDFARRURQOJF-STQMWFEESA-N 0 0 232.331 2.075 10 30 BEEERN CCCc1nccnc1N(C)C[C@H](C)C#N ZINC000596078510 348439637 /nfs/dbraw/zinc/43/96/37/348439637.db2.gz SCLRJZMTJVWJJT-SNVBAGLBSA-N 0 0 218.304 2.025 10 30 BEEERN N#CCOc1c(Cl)cc(N)cc1Cl ZINC000037428668 348470308 /nfs/dbraw/zinc/47/03/08/348470308.db2.gz BVYBNVAXJXRHQH-UHFFFAOYSA-N 0 0 217.055 2.478 10 30 BEEERN N#Cc1ccc(NC2CC(CO)C2)cc1Cl ZINC000596570493 348580887 /nfs/dbraw/zinc/58/08/87/348580887.db2.gz YPSNQWLXEYYAGI-UHFFFAOYSA-N 0 0 236.702 2.394 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000597340374 348720549 /nfs/dbraw/zinc/72/05/49/348720549.db2.gz RBXUGCFQOOBDJI-FHUSYTEZSA-N 0 0 232.327 2.231 10 30 BEEERN C=CCCSCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000597975930 348858344 /nfs/dbraw/zinc/85/83/44/348858344.db2.gz QJUBMNUYPLNPAF-ZSBIGDGJSA-N 0 0 239.384 2.458 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000598416674 348970800 /nfs/dbraw/zinc/97/08/00/348970800.db2.gz CTORRMKOTINTFA-NTZNESFSSA-N 0 0 220.316 2.185 10 30 BEEERN N#Cc1ccc2cc(C3(O)CCC3)[nH]c2c1 ZINC000616574172 349076587 /nfs/dbraw/zinc/07/65/87/349076587.db2.gz OZDKABQSNCILKX-UHFFFAOYSA-N 0 0 212.252 2.411 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC000599630226 349231195 /nfs/dbraw/zinc/23/11/95/349231195.db2.gz OXDFRSSGNOJNJY-SDDRHHMPSA-N 0 0 232.327 2.375 10 30 BEEERN Cc1nc(N)sc1SCCCC#N ZINC000019481143 180001291 /nfs/dbraw/zinc/00/12/91/180001291.db2.gz DLPPZNGVFLADOY-UHFFFAOYSA-N 0 0 213.331 2.430 10 30 BEEERN N#Cc1ccc2c(cnn2-c2ccc(F)cc2)n1 ZINC000089219769 191020621 /nfs/dbraw/zinc/02/06/21/191020621.db2.gz AFSNQKLQEOJNMZ-UHFFFAOYSA-N 0 0 238.225 2.431 10 30 BEEERN Cc1nc2sc(C(C)C)nn2c1C#N ZINC000062395525 180115674 /nfs/dbraw/zinc/11/56/74/180115674.db2.gz WNJWAYLFLXHMRL-UHFFFAOYSA-N 0 0 206.274 2.094 10 30 BEEERN Cc1nc[nH]c1CNc1cccc(F)c1C#N ZINC000054794644 180122513 /nfs/dbraw/zinc/12/25/13/180122513.db2.gz MXOPXZIHTVFMBE-UHFFFAOYSA-N 0 0 230.246 2.341 10 30 BEEERN C=C(C(=O)OCC)c1ccc(C#N)cc1 ZINC000098178807 191061273 /nfs/dbraw/zinc/06/12/73/191061273.db2.gz JARGXHZIOHHPDE-UHFFFAOYSA-N 0 0 201.225 2.135 10 30 BEEERN Cc1nccn1CCNc1cccc(C#N)c1 ZINC000049329877 180263100 /nfs/dbraw/zinc/26/31/00/180263100.db2.gz LHPIDSQEXPINPF-UHFFFAOYSA-N 0 0 226.283 2.175 10 30 BEEERN Cc1nn(-c2cccc(C#N)c2)c(N)c1Cl ZINC000043665044 180329516 /nfs/dbraw/zinc/32/95/16/180329516.db2.gz MRBSHNYZOUTYTN-UHFFFAOYSA-N 0 0 232.674 2.288 10 30 BEEERN Cc1nn(C)c(N[C@H](C)c2ccccn2)c1C#N ZINC000104316387 180360874 /nfs/dbraw/zinc/36/08/74/180360874.db2.gz RMJGMMJLRMMXIB-SNVBAGLBSA-N 0 0 241.298 2.168 10 30 BEEERN Cc1nnc(-n2ncc3ccccc32)c(C#N)c1C ZINC000050525743 180396120 /nfs/dbraw/zinc/39/61/20/180396120.db2.gz XTGLCMNKECEGOJ-UHFFFAOYSA-N 0 0 249.277 2.304 10 30 BEEERN CC(C)[C@H]1CCC[C@H](OS(C)(=O)=O)C1 ZINC000231006230 350521256 /nfs/dbraw/zinc/52/12/56/350521256.db2.gz NFOYKBJQQLVQFZ-UWVGGRQHSA-N 0 0 220.334 2.177 10 30 BEEERN N#Cc1ccc(N)c(F)c1Br ZINC000231843651 350640123 /nfs/dbraw/zinc/64/01/23/350640123.db2.gz MDZBDKYVZJELSY-UHFFFAOYSA-N 0 0 215.025 2.042 10 30 BEEERN CCc1cnc(CN[C@@H]2CCCC[C@H]2C#N)o1 ZINC000231645597 350632407 /nfs/dbraw/zinc/63/24/07/350632407.db2.gz SPUDYQZETCVETG-CMPLNLGQSA-N 0 0 233.315 2.409 10 30 BEEERN Cc1noc(CN[C@H](CC#N)c2ccccc2)n1 ZINC000055017423 180489897 /nfs/dbraw/zinc/48/98/97/180489897.db2.gz WNWSNJSVNKSWAA-GFCCVEGCSA-N 0 0 242.282 2.123 10 30 BEEERN CC[C@@](C)(CCO)Nc1cc(C#N)cc(C)n1 ZINC000228619126 350848681 /nfs/dbraw/zinc/84/86/81/350848681.db2.gz LLWOKHFJRLGLOK-ZDUSSCGKSA-N 0 0 233.315 2.225 10 30 BEEERN N#Cc1ccccc1[C@@H]1CCCCN1C(N)=O ZINC000616616509 350855902 /nfs/dbraw/zinc/85/59/02/350855902.db2.gz WSJPVCYGPYNFNF-LBPRGKRZSA-N 0 0 229.283 2.164 10 30 BEEERN C#CCN[C@H](C#N)c1ccccc1Cl ZINC000051962904 350828933 /nfs/dbraw/zinc/82/89/33/350828933.db2.gz CJOIHEUXDMHVHE-LLVKDONJSA-N 0 0 204.660 2.127 10 30 BEEERN O=C[C@]1([C@H]2CCCCC[C@H]2O)CCCS1 ZINC000306731731 350901639 /nfs/dbraw/zinc/90/16/39/350901639.db2.gz QYSSGCRPZWDGIU-TUAOUCFPSA-N 0 0 228.357 2.392 10 30 BEEERN Cc1nnsc1C[C@@]1(C=O)CCC[C@@H]1C ZINC000306722593 350889215 /nfs/dbraw/zinc/88/92/15/350889215.db2.gz FWYHUCXOBSERAH-GZMMTYOYSA-N 0 0 224.329 2.394 10 30 BEEERN O=C[C@]1(CC2CC(F)(F)C2)CCOC1 ZINC000306722233 350889699 /nfs/dbraw/zinc/88/96/99/350889699.db2.gz FLZYFIAJGXQDIQ-SECBINFHSA-N 0 0 204.216 2.027 10 30 BEEERN Cc1ncc(C[C@]2(C=O)CCCS2)s1 ZINC000306724990 350892904 /nfs/dbraw/zinc/89/29/04/350892904.db2.gz JTWZQFZMZRCAEA-JTQLQIEISA-N 0 0 227.354 2.459 10 30 BEEERN N#C[C@H](CO)Cc1csc(Cl)c1 ZINC000306725768 350896514 /nfs/dbraw/zinc/89/65/14/350896514.db2.gz LEQPTSUCYWOGML-SSDOTTSWSA-N 0 0 201.678 2.076 10 30 BEEERN N#C[C@@H](CO)Cc1csc(Cl)c1 ZINC000306725769 350896657 /nfs/dbraw/zinc/89/66/57/350896657.db2.gz LEQPTSUCYWOGML-ZETCQYMHSA-N 0 0 201.678 2.076 10 30 BEEERN Cc1nocc1CN[C@H]1CCCC[C@@H]1C#N ZINC000397880653 350985814 /nfs/dbraw/zinc/98/58/14/350985814.db2.gz MLIJLKSZDQBJQJ-PWSUYJOCSA-N 0 0 219.288 2.155 10 30 BEEERN C#Cc1nc(Br)sc1C ZINC000159737036 350990195 /nfs/dbraw/zinc/99/01/95/350990195.db2.gz KKLQVGVTPVMSBS-UHFFFAOYSA-N 0 0 202.076 2.195 10 30 BEEERN C=CCCCN(C)C(=O)c1cc(N(C)C)ccn1 ZINC000129259222 351021046 /nfs/dbraw/zinc/02/10/46/351021046.db2.gz SQLLHXFTEBYUOU-UHFFFAOYSA-N 0 0 247.342 2.186 10 30 BEEERN N#Cc1ccc(-n2ccc(C(F)(F)F)n2)cn1 ZINC000129264634 351022780 /nfs/dbraw/zinc/02/27/80/351022780.db2.gz RTQIOMJCZWBPQP-UHFFFAOYSA-N 0 0 238.172 2.158 10 30 BEEERN C=C(Br)CN1CC[C@@H](C)CC1=O ZINC000306820025 351090053 /nfs/dbraw/zinc/09/00/53/351090053.db2.gz IGERVPLBPMTODL-SSDOTTSWSA-N 0 0 232.121 2.154 10 30 BEEERN C=CCOc1ccncc1Br ZINC000159974252 351158696 /nfs/dbraw/zinc/15/86/96/351158696.db2.gz IQYVGSWATRXETQ-UHFFFAOYSA-N 0 0 214.062 2.409 10 30 BEEERN CSC[C@@H](C)N(C)c1cccc(C#N)n1 ZINC000122469541 191131827 /nfs/dbraw/zinc/13/18/27/191131827.db2.gz PNUNCAQKNOOVGD-SECBINFHSA-N 0 0 221.329 2.141 10 30 BEEERN C=C(Cl)CN1CCC(=O)[C@H](C)[C@H]1C ZINC000167975862 351142595 /nfs/dbraw/zinc/14/25/95/351142595.db2.gz HINGPCBYMRNUAF-RKDXNWHRSA-N 0 0 201.697 2.038 10 30 BEEERN C[C@H]1SCCS[C@@H]1C(=O)C1=CCCO1 ZINC000168108120 351294431 /nfs/dbraw/zinc/29/44/31/351294431.db2.gz OCBOIEZOLZETLK-XCBNKYQSSA-N 0 0 230.354 2.097 10 30 BEEERN C[C@]1(c2ccc(F)cc2)CC[C@@H](C=O)O1 ZINC000306872343 351268047 /nfs/dbraw/zinc/26/80/47/351268047.db2.gz UWUGODHNMRQOPU-NWDGAFQWSA-N 0 0 208.232 2.419 10 30 BEEERN C=C(Br)CN1CCC(=O)[C@H](C)[C@@H]1C ZINC000168319155 351375488 /nfs/dbraw/zinc/37/54/88/351375488.db2.gz RQLJJAGYMGOYHU-BDAKNGLRSA-N 0 0 246.148 2.194 10 30 BEEERN C=C(Br)CN[C@H]1CCC[C@@H]1C#N ZINC000168273864 351364644 /nfs/dbraw/zinc/36/46/44/351364644.db2.gz BDXRFQJZUHUWKR-BDAKNGLRSA-N 0 0 229.121 2.177 10 30 BEEERN CO[C@@H](C)c1nsc(C(C)(C)C#N)n1 ZINC000307063690 351460618 /nfs/dbraw/zinc/46/06/18/351460618.db2.gz PWWJAOWLXZFDJS-LURJTMIESA-N 0 0 211.290 2.047 10 30 BEEERN N#CCc1cnc(F)c(C(F)(F)F)c1 ZINC000307009502 351416536 /nfs/dbraw/zinc/41/65/36/351416536.db2.gz NECDZJWNNZDFIX-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN N#Cc1c(F)cccc1N1CCC[C@H]2COC[C@H]21 ZINC000367124147 351422924 /nfs/dbraw/zinc/42/29/24/351422924.db2.gz CPRIEYPMDSRILW-IINYFYTJSA-N 0 0 246.285 2.313 10 30 BEEERN C[C@H](C#N)NC[C@@H](C)COCc1ccccc1 ZINC000307020537 351424644 /nfs/dbraw/zinc/42/46/44/351424644.db2.gz TVYKYLSHLYBJFK-CHWSQXEVSA-N 0 0 232.327 2.341 10 30 BEEERN O=C1C=C(Cc2csnn2)CCCC1 ZINC000307137838 351494264 /nfs/dbraw/zinc/49/42/64/351494264.db2.gz YEMNGZLENBAOEO-UHFFFAOYSA-N 0 0 208.286 2.150 10 30 BEEERN SCCCN1CCC=C(Br)C1 ZINC000404484267 351479094 /nfs/dbraw/zinc/47/90/94/351479094.db2.gz VMLUQEKLJIBQSX-UHFFFAOYSA-N 0 0 236.178 2.291 10 30 BEEERN CCOC(=O)/C=C\c1ccc(C#N)cc1 ZINC000017197608 363046462 /nfs/dbraw/zinc/04/64/62/363046462.db2.gz NVLBOCIUMFYPGI-FPLPWBNLSA-N 0 0 201.225 2.135 10 30 BEEERN N#Cc1cc(Cl)c(OC(F)F)cn1 ZINC000307163292 351528560 /nfs/dbraw/zinc/52/85/60/351528560.db2.gz LTCDQZDGDPUIFW-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN N#Cc1cnc(OC(F)F)cc1Cl ZINC000307163249 351528565 /nfs/dbraw/zinc/52/85/65/351528565.db2.gz LRAKLZMGASKGRX-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN Cn1c2ccc(Cl)cc2cc(C#N)c1=O ZINC000011728024 180610386 /nfs/dbraw/zinc/61/03/86/180610386.db2.gz NSRYARVYXZGNKM-UHFFFAOYSA-N 0 0 218.643 2.064 10 30 BEEERN N#Cc1c(F)c(N)ccc1C(F)(F)F ZINC000307169562 351545475 /nfs/dbraw/zinc/54/54/75/351545475.db2.gz YPGVJHYAICAXOP-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN N#CC1(C[C@H](O)COCc2ccccc2)CC1 ZINC000307179215 351565423 /nfs/dbraw/zinc/56/54/23/351565423.db2.gz KBSGSWKJOGPAGN-ZDUSSCGKSA-N 0 0 231.295 2.258 10 30 BEEERN C#CC(=O)NCc1cc(Cl)sc1Cl ZINC000307212916 351616039 /nfs/dbraw/zinc/61/60/39/351616039.db2.gz WJCVGKSMHHNGNL-UHFFFAOYSA-N 0 0 234.107 2.304 10 30 BEEERN N#Cc1ccnc(OC(F)F)c1Br ZINC000307271468 351823823 /nfs/dbraw/zinc/82/38/23/351823823.db2.gz CAHOQTJJBRYEPB-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN CCCCCCCn1cc(N)ccc1=O ZINC000059089286 168658895 /nfs/dbraw/zinc/65/88/95/168658895.db2.gz KFQOTCYQCXJGKG-UHFFFAOYSA-N 0 0 208.305 2.401 10 30 BEEERN N#Cc1cc(F)cc(N)c1C(F)(F)F ZINC000307276859 351832628 /nfs/dbraw/zinc/83/26/28/351832628.db2.gz YELBLHKWTTZAJL-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN CCc1nsc(C2(C#N)CCCC2)n1 ZINC000307281683 351844068 /nfs/dbraw/zinc/84/40/68/351844068.db2.gz GGSNYWLIDWEPKC-UHFFFAOYSA-N 0 0 207.302 2.436 10 30 BEEERN C[C@@H](C#N)S(=O)(=O)c1cccc(Cl)c1 ZINC000054185730 351919466 /nfs/dbraw/zinc/91/94/66/351919466.db2.gz AZNPVBFAQSYDRI-ZETCQYMHSA-N 0 0 229.688 2.026 10 30 BEEERN CN(C)c1ccc(C2=CC(=O)C[C@](C)(O)C2)cc1 ZINC000040174960 351930270 /nfs/dbraw/zinc/93/02/70/351930270.db2.gz BQJDBMMKEULYPN-OAHLLOKOSA-N 0 0 245.322 2.250 10 30 BEEERN Cn1ccc(-c2csc(CC#N)n2)c1 ZINC000071508634 180680615 /nfs/dbraw/zinc/68/06/15/180680615.db2.gz XYJJQQNZFQXNNI-UHFFFAOYSA-N 0 0 203.270 2.215 10 30 BEEERN Cc1cc(=O)c2cc(F)cc(F)c2n1CC#N ZINC000040175567 352161920 /nfs/dbraw/zinc/16/19/20/352161920.db2.gz PMHIGEKQYJPPIL-UHFFFAOYSA-N 0 0 234.205 2.112 10 30 BEEERN CC(C)(C)OC(=O)NCC(C)(C)CC=O ZINC000098096006 187630074 /nfs/dbraw/zinc/63/00/74/187630074.db2.gz RJQRHEUVVYCJIN-UHFFFAOYSA-N 0 0 215.293 2.126 10 30 BEEERN C=CCN[C@H](C#N)c1cccc(OC)c1 ZINC000020173269 187660088 /nfs/dbraw/zinc/66/00/88/187660088.db2.gz CXESWMPKBSETJY-GFCCVEGCSA-N 0 0 202.257 2.035 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@@H](C)C(C)C ZINC000044765422 352392280 /nfs/dbraw/zinc/39/22/80/352392280.db2.gz ZNFCGWJSHXSYQQ-JTQLQIEISA-N 0 0 210.321 2.477 10 30 BEEERN CCC(C#N)(CC)C(=O)N1CCCSCC1 ZINC000044766214 352393720 /nfs/dbraw/zinc/39/37/20/352393720.db2.gz HKAFGWJEEFLNKO-UHFFFAOYSA-N 0 0 240.372 2.282 10 30 BEEERN C#Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC000066309131 187710288 /nfs/dbraw/zinc/71/02/88/187710288.db2.gz YZLOEVLUFORFSJ-UHFFFAOYSA-N 0 0 218.256 2.410 10 30 BEEERN CC[C@@H](C#N)C(=O)N(C)Cc1ccc(F)cc1 ZINC000044824237 352436079 /nfs/dbraw/zinc/43/60/79/352436079.db2.gz NCTLBMVUXFFVPB-NSHDSACASA-N 0 0 234.274 2.334 10 30 BEEERN Cc1cc(Br)nc(CC#N)c1 ZINC000307418718 352591658 /nfs/dbraw/zinc/59/16/58/352591658.db2.gz HBEPEFPGJHFTBA-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN COC(=O)c1cccc([C@H](CCC#N)OC)c1 ZINC000498036553 352569926 /nfs/dbraw/zinc/56/99/26/352569926.db2.gz PTGQQPAZNXIPRD-LBPRGKRZSA-N 0 0 233.267 2.464 10 30 BEEERN Cc1ncc(Br)c(N=[N+]=[N-])n1 ZINC000307537610 352643381 /nfs/dbraw/zinc/64/33/81/352643381.db2.gz VGSMWGPTOHIWOG-UHFFFAOYSA-N 0 0 214.026 2.489 10 30 BEEERN C=C(C(=O)[C@H]1CCSC1)C(F)(F)F ZINC000307539415 352643471 /nfs/dbraw/zinc/64/34/71/352643471.db2.gz QEVOBOHBFRIRGE-LURJTMIESA-N 0 0 210.220 2.427 10 30 BEEERN C[C@@H]1C[C@](C#N)(NCc2ccccc2)[C@@H](C)O1 ZINC000307551700 352648899 /nfs/dbraw/zinc/64/88/99/352648899.db2.gz ZHKSXFZRNQWLGU-YRGRVCCFSA-N 0 0 230.311 2.236 10 30 BEEERN C[C@H]1CC=C(C(=O)Cc2csnn2)CC1 ZINC000307606740 352668234 /nfs/dbraw/zinc/66/82/34/352668234.db2.gz BQIBMKKKVPZENO-QMMMGPOBSA-N 0 0 222.313 2.396 10 30 BEEERN CCc1nc([C@@H]2OCC[C@H]2C#N)cs1 ZINC000307514978 352631702 /nfs/dbraw/zinc/63/17/02/352631702.db2.gz PCYHHJFUMYQSCX-OIBJUYFYSA-N 0 0 208.286 2.307 10 30 BEEERN N#Cc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC000307638591 352726759 /nfs/dbraw/zinc/72/67/59/352726759.db2.gz YHJSZPNZIKXNDG-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN CC[C@](C)(C#N)NC(=O)c1ccc(C)nc1C ZINC000055330894 323896034 /nfs/dbraw/zinc/89/60/34/323896034.db2.gz HUVZPWWMVPEURT-CYBMUJFWSA-N 0 0 231.299 2.121 10 30 BEEERN C[C@]1(Cc2ccccc2)CC[C@@H](C=O)O1 ZINC000307680636 352756555 /nfs/dbraw/zinc/75/65/55/352756555.db2.gz OTFWZHZVFRDELI-QWHCGFSZSA-N 0 0 204.269 2.366 10 30 BEEERN N#CCCN1CCC(c2nccs2)CC1 ZINC000334203778 352797880 /nfs/dbraw/zinc/79/78/80/352797880.db2.gz UTWDIMMYMGDRQY-UHFFFAOYSA-N 0 0 221.329 2.236 10 30 BEEERN Cn1cc(C#N)cc1-c1nc(CC2CCC2)no1 ZINC000306093431 187903650 /nfs/dbraw/zinc/90/36/50/187903650.db2.gz KZYNJWOYZANQGR-UHFFFAOYSA-N 0 0 242.282 2.289 10 30 BEEERN CC(C)[C@H](C)NC(=O)N1CCC(C)(C#N)CC1 ZINC000334236553 352854812 /nfs/dbraw/zinc/85/48/12/352854812.db2.gz LIYIOXXDMAWHCK-NSHDSACASA-N 0 0 237.347 2.366 10 30 BEEERN Cc1cccc(C(=O)C2=COCCC2)n1 ZINC000160013149 352981957 /nfs/dbraw/zinc/98/19/57/352981957.db2.gz DLWVPJYCKHUGBY-UHFFFAOYSA-N 0 0 203.241 2.267 10 30 BEEERN N#C[C@@H](NC1CCCCCC1)[C@H]1CCOC1 ZINC000037970105 187941884 /nfs/dbraw/zinc/94/18/84/187941884.db2.gz WNXCICUCHYDHCW-WCQYABFASA-N 0 0 222.332 2.227 10 30 BEEERN O=CC1(Cc2ccsc2)CCOCC1 ZINC000306725508 353036626 /nfs/dbraw/zinc/03/66/26/353036626.db2.gz KNFXWUPIOUHCNH-UHFFFAOYSA-N 0 0 210.298 2.286 10 30 BEEERN O=C1C=Cc2ccc3c(c2C1=O)CCCC3 ZINC000013821934 187933264 /nfs/dbraw/zinc/93/32/64/187933264.db2.gz GEPDWFWEEIMFMO-UHFFFAOYSA-N 0 0 212.248 2.344 10 30 BEEERN C=C(C)CN1CCc2sccc2C1=O ZINC000307355011 353070191 /nfs/dbraw/zinc/07/01/91/353070191.db2.gz SYYZPBGMLZLQSG-UHFFFAOYSA-N 0 0 207.298 2.323 10 30 BEEERN CCNc1ccc(C(=O)N(CC)CCC#N)cc1 ZINC000050786042 187953388 /nfs/dbraw/zinc/95/33/88/187953388.db2.gz QYAXSKCQAMBRBP-UHFFFAOYSA-N 0 0 245.326 2.494 10 30 BEEERN CC(C)[C@H](C#N)C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000050566153 187953628 /nfs/dbraw/zinc/95/36/28/187953628.db2.gz IPZXZVJXFUOWSV-UTUOFQBUSA-N 0 0 222.332 2.429 10 30 BEEERN Cn1nccc1CN[C@@H](CC#N)c1ccccc1 ZINC000071333794 180844185 /nfs/dbraw/zinc/84/41/85/180844185.db2.gz OQRCXUFWKZNDIW-AWEZNQCLSA-N 0 0 240.310 2.165 10 30 BEEERN C=C(Cl)CNc1nsnc1Cl ZINC000229315917 353109763 /nfs/dbraw/zinc/10/97/63/353109763.db2.gz BPPPXBICPHGQGP-UHFFFAOYSA-N 0 0 210.089 2.356 10 30 BEEERN C/C=C/[C@H](C#N)OC(=O)c1ccccc1 ZINC000035940159 187987578 /nfs/dbraw/zinc/98/75/78/187987578.db2.gz YGJSVQRYJBJAIT-SZHMKSFOSA-N 0 0 201.225 2.312 10 30 BEEERN C[C@@H](C#N)CNc1ncc(Br)s1 ZINC000307715901 353096340 /nfs/dbraw/zinc/09/63/40/353096340.db2.gz GPSUEAXVACXOMA-YFKPBYRVSA-N 0 0 246.133 2.477 10 30 BEEERN CSc1ccc(Cl)cc1/C(N)=N/O ZINC000052860920 353122247 /nfs/dbraw/zinc/12/22/47/353122247.db2.gz LZODRQQDEXCHNC-UHFFFAOYSA-N 0 0 216.693 2.156 10 30 BEEERN C#CC[C@@H](C)C(=O)OCc1ccccc1 ZINC000075421399 188048875 /nfs/dbraw/zinc/04/88/75/188048875.db2.gz QFVBSZOGLIXGKK-LLVKDONJSA-N 0 0 202.253 2.389 10 30 BEEERN C#C[C@@H](NC)c1c(F)cccc1Br ZINC000165164795 353165451 /nfs/dbraw/zinc/16/54/51/353165451.db2.gz WQBUZWMVLURENP-SECBINFHSA-N 0 0 242.091 2.482 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@]12C[C@H](C)[C@@H]2C ZINC000309012367 538110121 /nfs/dbraw/zinc/11/01/21/538110121.db2.gz XSQRNXQUWJROSV-QSFUFRPTSA-N 0 0 212.289 2.143 10 30 BEEERN CCC[C@]1(C(=O)OCC)O[C@]12CC[C@H]1C[C@H]12 ZINC000309128762 538110452 /nfs/dbraw/zinc/11/04/52/538110452.db2.gz JJYJVDRGCZHPHR-JULQROHOSA-N 0 0 224.300 2.287 10 30 BEEERN C=CCN1CCO[C@H](c2ccsc2)C1 ZINC000126002789 353218911 /nfs/dbraw/zinc/21/89/11/353218911.db2.gz SSRKLPVXACJXBH-NSHDSACASA-N 0 0 209.314 2.307 10 30 BEEERN CC1=C(C(=O)N[C@H]2CCC[C@H]2C#N)CCC1 ZINC000332688538 538111439 /nfs/dbraw/zinc/11/14/39/538111439.db2.gz PZMOPQNKEZXPRS-JQWIXIFHSA-N 0 0 218.300 2.295 10 30 BEEERN Cc1cc(Br)cc(C=NN)c1 ZINC000307926300 353258190 /nfs/dbraw/zinc/25/81/90/353258190.db2.gz RBOUOFKUMMGAJU-UHFFFAOYSA-N 0 0 213.078 2.050 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCc1cnccn1 ZINC000330002365 538113031 /nfs/dbraw/zinc/11/30/31/538113031.db2.gz AYXCDESTBBVZJT-JQWIXIFHSA-N 0 0 244.298 2.058 10 30 BEEERN Cc1ccc(C)c(C#Cc2nncc(C)n2)c1 ZINC000028701690 188233281 /nfs/dbraw/zinc/23/32/81/188233281.db2.gz KPRWMFBUBORXIR-UHFFFAOYSA-N 0 0 223.279 2.197 10 30 BEEERN N#CCc1nc(-c2ccc(N)cc2)cs1 ZINC000040542013 188256197 /nfs/dbraw/zinc/25/61/97/188256197.db2.gz AXWZKVWZJROSAE-UHFFFAOYSA-N 0 0 215.281 2.458 10 30 BEEERN C/C(=N\O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000019504067 188281000 /nfs/dbraw/zinc/28/10/00/188281000.db2.gz IRRNQCBIHAGQTD-CIYKKQNSSA-N 0 0 232.283 2.479 10 30 BEEERN Cc1ccc(SC/C(N)=N/O)c(C)c1 ZINC000019847800 188281368 /nfs/dbraw/zinc/28/13/68/188281368.db2.gz ZQNUUKVBHMYSCO-UHFFFAOYSA-N 0 0 210.302 2.142 10 30 BEEERN CC(C)(C)OC(=O)N=C(N)c1ccccc1 ZINC000034515058 188285170 /nfs/dbraw/zinc/28/51/70/188285170.db2.gz SQEPNRRWBXSKJF-UHFFFAOYSA-N 0 0 220.272 2.327 10 30 BEEERN Cc1nc(N)sc1Cc1ccccc1C#N ZINC000036852900 188286239 /nfs/dbraw/zinc/28/62/39/188286239.db2.gz NEOSDPMKQUGNAB-UHFFFAOYSA-N 0 0 229.308 2.496 10 30 BEEERN COc1ccc([C@H](C#N)N2CCCC2)cc1O ZINC000037355614 188286773 /nfs/dbraw/zinc/28/67/73/188286773.db2.gz BZQNPNRVDLBVLR-NSHDSACASA-N 0 0 232.283 2.061 10 30 BEEERN C[C@@H](Nc1ccc(C#N)cc1)c1cc[nH]n1 ZINC000037906590 188288855 /nfs/dbraw/zinc/28/88/55/188288855.db2.gz USCLRIVKGWIPMV-SECBINFHSA-N 0 0 212.256 2.454 10 30 BEEERN CC(=O)Nc1ccc([C@@H](C#N)NCC2CC2)cc1 ZINC000037946799 188289046 /nfs/dbraw/zinc/28/90/46/188289046.db2.gz XPNMLWJRXKKDSP-CQSZACIVSA-N 0 0 243.310 2.209 10 30 BEEERN N#CCCN(c1ccc(N)cc1F)C1CC1 ZINC000042531253 188293495 /nfs/dbraw/zinc/29/34/95/188293495.db2.gz PMHMSHSGXPDJRI-UHFFFAOYSA-N 0 0 219.263 2.290 10 30 BEEERN N#CCCCCOC(=O)CCc1ccc(N)cc1 ZINC000049579313 188299021 /nfs/dbraw/zinc/29/90/21/188299021.db2.gz MPQYNEFFAKZNDT-UHFFFAOYSA-N 0 0 246.310 2.438 10 30 BEEERN N#CCCn1cc(Cl)cc(Cl)c1=O ZINC000057835560 188301913 /nfs/dbraw/zinc/30/19/13/188301913.db2.gz ZTQWTXKEYNUCLZ-UHFFFAOYSA-N 0 0 217.055 2.069 10 30 BEEERN CCCn1cc(C#N)c(=O)c2cc(OC)ccc21 ZINC000072236975 188307189 /nfs/dbraw/zinc/30/71/89/188307189.db2.gz OVOVYKMTXKTBLT-UHFFFAOYSA-N 0 0 242.278 2.292 10 30 BEEERN COCC1(C[NH2+][C@@H]2CCCC[C@@H]2C#N)CCC1 ZINC000383478590 353333797 /nfs/dbraw/zinc/33/37/97/353333797.db2.gz AHIZVOKQSIBWLD-CHWSQXEVSA-N 0 0 236.359 2.475 10 30 BEEERN C#CC(=O)c1cc(C(F)(F)F)ccc1N ZINC000162963451 353334535 /nfs/dbraw/zinc/33/45/35/353334535.db2.gz GQORHXCVLRXFSX-UHFFFAOYSA-N 0 0 213.158 2.104 10 30 BEEERN CCCCc1[nH]c(Cl)c(/C=N/[O-])[nH+]1 ZINC000085348081 188317127 /nfs/dbraw/zinc/31/71/27/188317127.db2.gz YFCKPMVXCSYQQG-BJMVGYQFSA-N 0 0 201.657 2.214 10 30 BEEERN CC(C)N(CCC#N)c1ccccc1N ZINC000042528883 188324340 /nfs/dbraw/zinc/32/43/40/188324340.db2.gz BFRLYUBRCCUFPP-UHFFFAOYSA-N 0 0 203.289 2.397 10 30 BEEERN CC(C)[C@H](C#N)C(=O)N(C)CC(C)(C)C ZINC000045088772 188326440 /nfs/dbraw/zinc/32/64/40/188326440.db2.gz TYVFYZAMJQLETL-JTQLQIEISA-N 0 0 210.321 2.287 10 30 BEEERN CC1(C)C[C@H](Nc2cnc(C#N)cn2)C(C)(C)O1 ZINC000129206343 188331132 /nfs/dbraw/zinc/33/11/32/188331132.db2.gz MKDWTUDRUVUZPL-JTQLQIEISA-N 0 0 246.314 2.106 10 30 BEEERN N#C[C@H](c1ncc(Cl)s1)N1CCCC1 ZINC000223202820 353349106 /nfs/dbraw/zinc/34/91/06/353349106.db2.gz PLOBBRXLPXWHGH-SSDOTTSWSA-N 0 0 227.720 2.457 10 30 BEEERN Cc1cc(C)c2c(c1)c(=O)ccn2CC#N ZINC000040174207 188338927 /nfs/dbraw/zinc/33/89/27/188338927.db2.gz XSCSAJNHTJQISI-UHFFFAOYSA-N 0 0 212.252 2.142 10 30 BEEERN C=CCc1c(OC)cc2c(c1OC)OCO2 ZINC000014680042 188343694 /nfs/dbraw/zinc/34/36/94/188343694.db2.gz DLXIQKGNIITZEK-UHFFFAOYSA-N 0 0 222.240 2.161 10 30 BEEERN CC(C)[C@@H]1OCC[C@@H]1CNc1cccc(C#N)n1 ZINC000267235219 188373145 /nfs/dbraw/zinc/37/31/45/188373145.db2.gz QSQVDRMZQJKAOH-RISCZKNCSA-N 0 0 245.326 2.426 10 30 BEEERN N#Cc1ccc2c(c1C(F)(F)F)OCO2 ZINC000261215894 188370609 /nfs/dbraw/zinc/37/06/09/188370609.db2.gz RWRLXNYEPQTBGL-UHFFFAOYSA-N 0 0 215.130 2.306 10 30 BEEERN CC(C)(O)C#Cc1ccc2ncccc2c1 ZINC000135120736 353528125 /nfs/dbraw/zinc/52/81/25/353528125.db2.gz HATXXVANGJWPOW-UHFFFAOYSA-N 0 0 211.264 2.357 10 30 BEEERN CC#CCNC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000135398031 353558879 /nfs/dbraw/zinc/55/88/79/353558879.db2.gz BCXAPUJPKQUCNC-FZMZJTMJSA-N 0 0 242.322 2.242 10 30 BEEERN C#CCCOc1nc(Br)cs1 ZINC000232485155 353726803 /nfs/dbraw/zinc/72/68/03/353726803.db2.gz ZUQZTRCPWNVYBK-UHFFFAOYSA-N 0 0 232.102 2.308 10 30 BEEERN N#CC1(NC(=O)c2cccnc2)CCCCCC1 ZINC000040221535 181030404 /nfs/dbraw/zinc/03/04/04/181030404.db2.gz QBGMLEHNFZSVML-UHFFFAOYSA-N 0 0 243.310 2.428 10 30 BEEERN N#CCNCc1ccccc1C(F)(F)F ZINC000061626715 181043135 /nfs/dbraw/zinc/04/31/35/181043135.db2.gz SHROFZCQGTUHCW-UHFFFAOYSA-N 0 0 214.190 2.319 10 30 BEEERN N#CCNc1ccc(N2CCCC2)cc1 ZINC000057490983 181043223 /nfs/dbraw/zinc/04/32/23/181043223.db2.gz JPFBZLNLNXJCII-UHFFFAOYSA-N 0 0 201.273 2.222 10 30 BEEERN N#CCOc1ccccc1NC(=O)C(F)(F)F ZINC000038003851 181043900 /nfs/dbraw/zinc/04/39/00/181043900.db2.gz YRPWSSSRESHIBV-UHFFFAOYSA-N 0 0 244.172 2.090 10 30 BEEERN N#CC[C@H](O)COc1ccc2ccccc2c1 ZINC000041248179 181045682 /nfs/dbraw/zinc/04/56/82/181045682.db2.gz OVDVBVLUAADJRQ-ZDUSSCGKSA-N 0 0 227.263 2.493 10 30 BEEERN N#CC[C@@H]1NCCc2cccc(Cl)c21 ZINC000083661214 181046209 /nfs/dbraw/zinc/04/62/09/181046209.db2.gz NTOHZZLLTYNDEJ-JTQLQIEISA-N 0 0 206.676 2.440 10 30 BEEERN N#CC[C@H](c1ccccc1)N1CCCC[C@@H]1CO ZINC000055019810 181046335 /nfs/dbraw/zinc/04/63/35/181046335.db2.gz YIZJKDJKMYQQOR-HUUCEWRRSA-N 0 0 244.338 2.488 10 30 BEEERN N#CCc1nc2ccccc2nc1Cl ZINC000001571956 181049708 /nfs/dbraw/zinc/04/97/08/181049708.db2.gz SCPJSCIMKCHTOO-UHFFFAOYSA-N 0 0 203.632 2.349 10 30 BEEERN N#C[C@@H](NCCO)c1cccc(Cl)c1Cl ZINC000020177236 181057405 /nfs/dbraw/zinc/05/74/05/181057405.db2.gz NFNJKSUOGDMOAU-SECBINFHSA-N 0 0 245.109 2.140 10 30 BEEERN N#C[C@@H](N)CCSc1ccccc1F ZINC000062453339 181055322 /nfs/dbraw/zinc/05/53/22/181055322.db2.gz WKGXYCNCIJJQKT-QMMMGPOBSA-N 0 0 210.277 2.159 10 30 BEEERN N#C[C@@H](N)CSc1nc2ccccc2s1 ZINC000045333666 181056288 /nfs/dbraw/zinc/05/62/88/181056288.db2.gz WYCSXPMBKLJYOE-SSDOTTSWSA-N 0 0 235.337 2.239 10 30 BEEERN N#C[C@@H](N)COc1cccc(Cl)c1Cl ZINC000019666069 181056316 /nfs/dbraw/zinc/05/63/16/181056316.db2.gz QGZRMSMNAMTKQP-ZCFIWIBFSA-N 0 0 231.082 2.223 10 30 BEEERN N#C[C@@H](N)COc1ccc(Cl)cc1Cl ZINC000019666063 181056603 /nfs/dbraw/zinc/05/66/03/181056603.db2.gz GKWNCLSFINWHNH-SSDOTTSWSA-N 0 0 231.082 2.223 10 30 BEEERN N#CCc1cc(Br)ccc1N ZINC000036056174 181047969 /nfs/dbraw/zinc/04/79/69/181047969.db2.gz AEWZSAGDYVDHRC-UHFFFAOYSA-N 0 0 211.062 2.097 10 30 BEEERN N#C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000074468090 181063784 /nfs/dbraw/zinc/06/37/84/181063784.db2.gz WZWXUJQVXUAOJW-MRVPVSSYSA-N 0 0 229.201 2.380 10 30 BEEERN N#C[C@H](N)c1cc(Br)cs1 ZINC000041677447 181064645 /nfs/dbraw/zinc/06/46/45/181064645.db2.gz YYOCKWAPHJKMSC-YFKPBYRVSA-N 0 0 217.091 2.034 10 30 BEEERN N#C[C@H](NC1CCCCCC1)[C@@H]1CCOC1 ZINC000037970102 181065614 /nfs/dbraw/zinc/06/56/14/181065614.db2.gz WNXCICUCHYDHCW-YPMHNXCESA-N 0 0 222.332 2.227 10 30 BEEERN N#C[C@H](NCc1cccs1)c1cccnc1 ZINC000037939689 181066046 /nfs/dbraw/zinc/06/60/46/181066046.db2.gz MJUIZKJALDZBAY-LBPRGKRZSA-N 0 0 229.308 2.498 10 30 BEEERN N#C[C@H](NCC1CC1)c1ccc(F)cc1 ZINC000037946844 181066360 /nfs/dbraw/zinc/06/63/60/181066360.db2.gz PSKNSZPSYZQBNK-LBPRGKRZSA-N 0 0 204.248 2.390 10 30 BEEERN N#C[C@@H](c1cccc(F)c1)N1CCCC1 ZINC000037355590 181057807 /nfs/dbraw/zinc/05/78/07/181057807.db2.gz WOMXMXOWCLKWKJ-LBPRGKRZSA-N 0 0 204.248 2.486 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NCc1cccnc1 ZINC000054824555 181058243 /nfs/dbraw/zinc/05/82/43/181058243.db2.gz JTRHAMTYEUIQSA-QWHCGFSZSA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000057517924 181058957 /nfs/dbraw/zinc/05/89/57/181058957.db2.gz MFJMSDXJHWKYJJ-ZDUSSCGKSA-N 0 0 228.295 2.134 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1 ZINC000061888338 181060106 /nfs/dbraw/zinc/06/01/06/181060106.db2.gz AWVSUGIQUMUIQO-RYUDHWBXSA-N 0 0 214.268 2.109 10 30 BEEERN N#Cc1[nH]c(=O)c2ccccc2c1Cl ZINC000075605275 181071398 /nfs/dbraw/zinc/07/13/98/181071398.db2.gz MKNLKRIUWIJHHP-UHFFFAOYSA-N 0 0 204.616 2.053 10 30 BEEERN N#C[C@]1(Nc2ccccc2)CCSC1 ZINC000037935241 181071633 /nfs/dbraw/zinc/07/16/33/181071633.db2.gz DVMXVIDVLXRAJV-LLVKDONJSA-N 0 0 204.298 2.498 10 30 BEEERN N#C[C@H]1CC(=O)N(c2cccc3cccnc32)C1 ZINC000033434494 181067953 /nfs/dbraw/zinc/06/79/53/181067953.db2.gz DUHQRXXACJXEIN-SNVBAGLBSA-N 0 0 237.262 2.111 10 30 BEEERN N#C[C@H]1CCCC[C@H]1n1cc([N+](=O)[O-])cn1 ZINC000043598198 181068891 /nfs/dbraw/zinc/06/88/91/181068891.db2.gz RUGWCYHCBIUQOX-PSASIEDQSA-N 0 0 220.232 2.046 10 30 BEEERN N#C[C@H]1CCCN1C(=O)c1ccccc1Cl ZINC000057524698 181069176 /nfs/dbraw/zinc/06/91/76/181069176.db2.gz NJXVTEHQADDYFR-SECBINFHSA-N 0 0 234.686 2.468 10 30 BEEERN N#Cc1c(F)cccc1N1CCC[C@@]12CCOC2 ZINC000311129332 181075079 /nfs/dbraw/zinc/07/50/79/181075079.db2.gz WEEAQLGQDRIHOX-AWEZNQCLSA-N 0 0 246.285 2.457 10 30 BEEERN N#Cc1c(F)cccc1N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054603290 181075081 /nfs/dbraw/zinc/07/50/81/181075081.db2.gz JFBQAACQOQBNFV-AOOOYVTPSA-N 0 0 244.269 2.398 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000061674844 181070073 /nfs/dbraw/zinc/07/00/73/181070073.db2.gz HOJJPSYIJPSNTN-VXGBXAGGSA-N 0 0 244.294 2.197 10 30 BEEERN N#Cc1cc(-c2ccncc2)nnc1Cl ZINC000025965136 181081778 /nfs/dbraw/zinc/08/17/78/181081778.db2.gz GAEYOYYTNAXZBY-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#Cc1cc(=O)[nH]c2cc(Cl)ccc12 ZINC000077256079 181081919 /nfs/dbraw/zinc/08/19/19/181081919.db2.gz KNBLDSPXPFCCPT-UHFFFAOYSA-N 0 0 204.616 2.053 10 30 BEEERN N#Cc1c(F)cccc1NCc1c[nH]cn1 ZINC000054764134 181075795 /nfs/dbraw/zinc/07/57/95/181075795.db2.gz TUKUYISEIWJNCP-UHFFFAOYSA-N 0 0 216.219 2.033 10 30 BEEERN N#Cc1c(F)cccc1N[C@@H]1CCCC[C@@H]1O ZINC000037691538 181076044 /nfs/dbraw/zinc/07/60/44/181076044.db2.gz AXLXPBKPIBEGTG-OLZOCXBDSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1c(F)cccc1N[C@H]1CCCC[C@H]1O ZINC000037691541 181076202 /nfs/dbraw/zinc/07/62/02/181076202.db2.gz AXLXPBKPIBEGTG-QWHCGFSZSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1cc(-c2cccc(CO)c2)ccc1O ZINC000065341334 181080686 /nfs/dbraw/zinc/08/06/86/181080686.db2.gz QUGSQFGDFVTQMZ-UHFFFAOYSA-N 0 0 225.247 2.423 10 30 BEEERN N#Cc1cc(C(F)(F)F)nc2cc[nH]c21 ZINC000089221381 181085129 /nfs/dbraw/zinc/08/51/29/181085129.db2.gz XUHBWTFYIIKNLP-UHFFFAOYSA-N 0 0 211.146 2.453 10 30 BEEERN N#Cc1cc(CNCc2ccccn2)ccc1F ZINC000083369213 181085544 /nfs/dbraw/zinc/08/55/44/181085544.db2.gz ORKOFZIQQFYCTB-UHFFFAOYSA-N 0 0 241.269 2.382 10 30 BEEERN N#Cc1cc(F)c(N[C@H]2CCC[C@H]2O)c(F)c1 ZINC000277167995 181086767 /nfs/dbraw/zinc/08/67/67/181086767.db2.gz UAFBUALJFJDVGS-WDEREUQCSA-N 0 0 238.237 2.162 10 30 BEEERN N#Cc1cc2cccc(Br)c2[nH]c1=O ZINC000011956402 181093820 /nfs/dbraw/zinc/09/38/20/181093820.db2.gz RIPGOBPEXORJPD-UHFFFAOYSA-N 0 0 249.067 2.162 10 30 BEEERN N#Cc1ccc(-c2cc(Cl)ncn2)nc1 ZINC000072204323 181094293 /nfs/dbraw/zinc/09/42/93/181094293.db2.gz MBRQVQUGKXGZRL-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#Cc1cc(N)cnc1NC(C1CC1)C1CC1 ZINC000049234711 181089006 /nfs/dbraw/zinc/08/90/06/181089006.db2.gz ISAOYIMVWIDNPF-UHFFFAOYSA-N 0 0 228.299 2.136 10 30 BEEERN N#Cc1cc(N)n([C@@H]2CCc3ccccc32)c1 ZINC000090568192 181089919 /nfs/dbraw/zinc/08/99/19/181089919.db2.gz PNOGEDRGSXSXLZ-CYBMUJFWSA-N 0 0 223.279 2.478 10 30 BEEERN N#Cc1ccc(-c2ccsc2)nc1N ZINC000050871163 181095650 /nfs/dbraw/zinc/09/56/50/181095650.db2.gz PNDFOYAYKDMBJL-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N#Cc1cc(NC2CCOCC2)ccc1F ZINC000051635851 181091117 /nfs/dbraw/zinc/09/11/17/181091117.db2.gz OFEZQJZAMDATFB-UHFFFAOYSA-N 0 0 220.247 2.288 10 30 BEEERN N#Cc1cc(N[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000131765593 181091359 /nfs/dbraw/zinc/09/13/59/181091359.db2.gz HUXZRSRSHFGJSS-NSHDSACASA-N 0 0 247.254 2.057 10 30 BEEERN N#Cc1cc(NCc2csnn2)ccc1F ZINC000051635893 181091719 /nfs/dbraw/zinc/09/17/19/181091719.db2.gz NOBXJIWHHVLQLY-UHFFFAOYSA-N 0 0 234.259 2.161 10 30 BEEERN N#Cc1cc2c(nc1N)CCCCCC2 ZINC000050871217 181092749 /nfs/dbraw/zinc/09/27/49/181092749.db2.gz YZMFKURYZSFGNA-UHFFFAOYSA-N 0 0 201.273 2.194 10 30 BEEERN N#Cc1ccc(COC[C@@H]2CCOC2)c(F)c1 ZINC000049690058 181110990 /nfs/dbraw/zinc/11/09/90/181110990.db2.gz KDXWAXSIZQSAGG-LLVKDONJSA-N 0 0 235.258 2.250 10 30 BEEERN N#Cc1ccc(C[C@@H]2COCC[C@@H]2S)cc1 ZINC000095078956 181110773 /nfs/dbraw/zinc/11/07/73/181110773.db2.gz NLJZLAJWCNBYTB-OLZOCXBDSA-N 0 0 233.336 2.436 10 30 BEEERN N#Cc1ccc(NCC2(CCO)CC2)cc1 ZINC000133017071 181120030 /nfs/dbraw/zinc/12/00/30/181120030.db2.gz XTCVCFQWMQJBEJ-UHFFFAOYSA-N 0 0 216.284 2.133 10 30 BEEERN N#Cc1ccc(F)c(-c2ncccc2O)c1 ZINC000065339111 181112867 /nfs/dbraw/zinc/11/28/67/181112867.db2.gz KDRGPEZUBGHKQP-UHFFFAOYSA-N 0 0 214.199 2.465 10 30 BEEERN N#Cc1ccc([C@@]2(O)CCCSC2)cc1 ZINC000261347614 259454945 /nfs/dbraw/zinc/45/49/45/259454945.db2.gz KLGCZVQVUJUOQV-GFCCVEGCSA-N 0 0 219.309 2.273 10 30 BEEERN N#Cc1ccc(N2CCCSCC2)c(N)c1 ZINC000042443784 181115188 /nfs/dbraw/zinc/11/51/88/181115188.db2.gz DJCLUSMCRZSXKQ-UHFFFAOYSA-N 0 0 233.340 2.084 10 30 BEEERN N#Cc1ccc(N2C[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000357539539 181117304 /nfs/dbraw/zinc/11/73/04/181117304.db2.gz SJFNJFJUPSYXLM-PWSUYJOCSA-N 0 0 243.266 2.455 10 30 BEEERN N#Cc1ccc([C@H](C#N)N2CCCC2)cc1 ZINC000037355489 181129797 /nfs/dbraw/zinc/12/97/97/181129797.db2.gz KPQAXZADOAHIDS-ZDUSSCGKSA-N 0 0 211.268 2.219 10 30 BEEERN N#Cc1ccccc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000377952821 181145197 /nfs/dbraw/zinc/14/51/97/181145197.db2.gz OYIHFFAGHZDJIC-ZDUSSCGKSA-N 0 0 244.338 2.153 10 30 BEEERN N#Cc1ccccc1NC(=O)c1cccc(N)c1 ZINC000020193293 181148102 /nfs/dbraw/zinc/14/81/02/181148102.db2.gz HOUSGOOXLQWVDP-UHFFFAOYSA-N 0 0 237.262 2.393 10 30 BEEERN N#Cc1ccccc1NC[C@H]1CCOC1 ZINC000019921775 181148417 /nfs/dbraw/zinc/14/84/17/181148417.db2.gz YXUGOKNEVCLGTR-SNVBAGLBSA-N 0 0 202.257 2.007 10 30 BEEERN N#Cc1cccnc1Nc1ccc(N)cc1 ZINC000019485274 181153970 /nfs/dbraw/zinc/15/39/70/181153970.db2.gz NUWQRZDOEXWTCO-UHFFFAOYSA-N 0 0 210.240 2.279 10 30 BEEERN N#Cc1cccnc1Nc1cccc(N)c1 ZINC000019427129 181153770 /nfs/dbraw/zinc/15/37/70/181153770.db2.gz OTBFBHOSAYNWMG-UHFFFAOYSA-N 0 0 210.240 2.279 10 30 BEEERN N#Cc1cccnc1Sc1ncccc1N ZINC000042143617 181154361 /nfs/dbraw/zinc/15/43/61/181154361.db2.gz CBUVNTRGUWBINO-UHFFFAOYSA-N 0 0 228.280 2.082 10 30 BEEERN CC(=O)/C(C)=C\c1c(Br)cnn1C ZINC000308203676 354871798 /nfs/dbraw/zinc/87/17/98/354871798.db2.gz RKYBTYDTGJIRHO-XQRVVYSFSA-N 0 0 243.104 2.175 10 30 BEEERN N#Cc1ccnc(N(CCO)C2CCCCC2)c1 ZINC000042525827 181155386 /nfs/dbraw/zinc/15/53/86/181155386.db2.gz WABJCVNCKNKKCG-UHFFFAOYSA-N 0 0 245.326 2.085 10 30 BEEERN N#Cc1ccnc(N2CCC[C@H]2C2CCC2)n1 ZINC000296960461 181154977 /nfs/dbraw/zinc/15/49/77/181154977.db2.gz CPGZQRAQJWSDIX-LBPRGKRZSA-N 0 0 228.299 2.117 10 30 BEEERN CCN(CCC#N)c1ccc(N)c(OC(C)C)n1 ZINC000042450607 169816192 /nfs/dbraw/zinc/81/61/92/169816192.db2.gz VAVDQKJTUSNWHW-UHFFFAOYSA-N 0 0 248.330 2.191 10 30 BEEERN N#CC#Cc1ccc(Br)cc1F ZINC000161211656 363434325 /nfs/dbraw/zinc/43/43/25/363434325.db2.gz KPSFULRUWNSAFB-UHFFFAOYSA-N 0 0 224.032 2.463 10 30 BEEERN C=CCNCC(=O)c1ccc(C)c(C)c1 ZINC000041611729 166399306 /nfs/dbraw/zinc/39/93/06/166399306.db2.gz QDWMUDBOFCATLI-UHFFFAOYSA-N 0 0 203.285 2.262 10 30 BEEERN N#Cc1cn2cccc(C(F)(F)F)c2n1 ZINC000082695962 181161631 /nfs/dbraw/zinc/16/16/31/181161631.db2.gz CQIOJDTVNOMQGS-UHFFFAOYSA-N 0 0 211.146 2.225 10 30 BEEERN N#Cc1cncc(Br)c1OC1CC1 ZINC000095736403 181164093 /nfs/dbraw/zinc/16/40/93/181164093.db2.gz ZEVLGFGUGALQPQ-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1cnn(-c2cccc(F)c2)c1F ZINC000072190412 181164911 /nfs/dbraw/zinc/16/49/11/181164911.db2.gz LBRNYTVRYUWCDC-UHFFFAOYSA-N 0 0 205.167 2.022 10 30 BEEERN N#Cc1ncccc1COc1ccc(CO)cc1 ZINC000061659291 181170753 /nfs/dbraw/zinc/17/07/53/181170753.db2.gz RCPNSNMMQHTEGA-UHFFFAOYSA-N 0 0 240.262 2.025 10 30 BEEERN N#Cc1ncc(Br)c2ccc(N)cc12 ZINC000082767420 181171021 /nfs/dbraw/zinc/17/10/21/181171021.db2.gz GBKYYHKXJCZGJE-UHFFFAOYSA-N 0 0 248.083 2.451 10 30 BEEERN N#Cc1nc(-c2ccco2)n2ccccc12 ZINC000020222705 181167277 /nfs/dbraw/zinc/16/72/77/181167277.db2.gz PMQKTFRBKRTBHX-UHFFFAOYSA-N 0 0 209.208 2.466 10 30 BEEERN N#Cc1sc(-c2cccnc2)cc1N ZINC000044273270 181177553 /nfs/dbraw/zinc/17/75/53/181177553.db2.gz OFJCHMAXTHZGNT-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N/C(=N\O)c1cccc(COC2CCCC2)c1 ZINC000019515213 181181462 /nfs/dbraw/zinc/18/14/62/181181462.db2.gz QPUNTRKRGHQNAS-UHFFFAOYSA-N 0 0 234.299 2.240 10 30 BEEERN N/C(=N\O)c1ccnc(Oc2cccc(F)c2)c1 ZINC000019484049 181180896 /nfs/dbraw/zinc/18/08/96/181180896.db2.gz WLHLODBZEXXPOQ-UHFFFAOYSA-N 0 0 247.229 2.108 10 30 BEEERN Cc1nn(C/C(Cl)=C\Cl)cc1C#N ZINC000308355012 355374432 /nfs/dbraw/zinc/37/44/32/355374432.db2.gz ASAPXKXSCBSMRT-KRXBUXKQSA-N 0 0 216.071 2.382 10 30 BEEERN CC1=C(C)CN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000335784586 355432923 /nfs/dbraw/zinc/43/29/23/355432923.db2.gz JKGIWTFSYDGPJE-STQMWFEESA-N 0 0 247.342 2.430 10 30 BEEERN COc1ncccc1C#Cc1csc(C)n1 ZINC000013680981 355855624 /nfs/dbraw/zinc/85/56/24/355855624.db2.gz RSYUKVLYKZHGIR-UHFFFAOYSA-N 0 0 230.292 2.255 10 30 BEEERN COC(=O)C#C[C@H]1CCCc2sccc21 ZINC000168498236 355858275 /nfs/dbraw/zinc/85/82/75/355858275.db2.gz HHLWVQOOQWLMGO-SECBINFHSA-N 0 0 220.293 2.344 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)c1c[nH]c2ncccc12 ZINC000329252924 355908201 /nfs/dbraw/zinc/90/82/01/355908201.db2.gz YVNBUKPMJDBZOA-LDYMZIIASA-N 0 0 245.282 2.045 10 30 BEEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC1CCC1 ZINC000330093316 356170438 /nfs/dbraw/zinc/17/04/38/356170438.db2.gz ZPHQQQQRYQYUHO-ZYHUDNBSSA-N 0 0 249.314 2.007 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCC(C)(C)C1 ZINC000330213866 356184810 /nfs/dbraw/zinc/18/48/10/356184810.db2.gz LFNJBZGLIAIZRO-OUAUKWLOSA-N 0 0 240.347 2.246 10 30 BEEERN Cc1cc(N[C@@H]2C[C@@H]2C)c(C#N)c(C)n1 ZINC000087975097 356384704 /nfs/dbraw/zinc/38/47/04/356384704.db2.gz QCZRFLILNFFKLY-WRWORJQWSA-N 0 0 201.273 2.390 10 30 BEEERN CCC1(C)CN(C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000336508431 134148765 /nfs/dbraw/zinc/14/87/65/134148765.db2.gz HPKJDJPUQULVKM-QWRGUYRKSA-N 0 0 235.331 2.120 10 30 BEEERN Cc1cc(F)cc2cc(C#N)c(=O)[nH]c12 ZINC000675067946 538495868 /nfs/dbraw/zinc/49/58/68/538495868.db2.gz PCXPIAACCDTCKE-UHFFFAOYSA-N 0 0 202.188 2.260 10 30 BEEERN Cc1cc(Br)cn2c(C#N)cnc12 ZINC000675073129 538505069 /nfs/dbraw/zinc/50/50/69/538505069.db2.gz LQGBRDHEVUFVLY-UHFFFAOYSA-N 0 0 236.072 2.277 10 30 BEEERN Clc1cccc(C#Cc2cn[nH]c2)c1 ZINC000675076221 538510577 /nfs/dbraw/zinc/51/05/77/538510577.db2.gz LHIPDTQHQAWZRS-UHFFFAOYSA-N 0 0 202.644 2.463 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1ccccc1O ZINC000675077632 538514379 /nfs/dbraw/zinc/51/43/79/538514379.db2.gz GRIKEFOGMJJPFC-UHFFFAOYSA-N 0 0 218.252 2.085 10 30 BEEERN CC(C)(C#N)CCn1cc(Cl)c(N)n1 ZINC000083638976 538515187 /nfs/dbraw/zinc/51/51/87/538515187.db2.gz OMLYJNSVKSZEFQ-UHFFFAOYSA-N 0 0 212.684 2.059 10 30 BEEERN C#Cc1ccccc1NS(=O)(=O)C1CCCC1 ZINC000675078995 538517638 /nfs/dbraw/zinc/51/76/38/538517638.db2.gz OYDMMXNKRPZUMZ-UHFFFAOYSA-N 0 0 249.335 2.352 10 30 BEEERN Cc1cc(O)ccc1C#CC(=O)OC(C)(C)C ZINC000675079270 538517886 /nfs/dbraw/zinc/51/78/86/538517886.db2.gz SKHIYHUMEXKQOW-UHFFFAOYSA-N 0 0 232.279 2.394 10 30 BEEERN C#Cc1ccc(NC(=O)C2CCOCC2)cc1 ZINC000675079659 538518933 /nfs/dbraw/zinc/51/89/33/538518933.db2.gz WGYDKWRAFFHBQJ-UHFFFAOYSA-N 0 0 229.279 2.033 10 30 BEEERN COC(=O)[C@@H]1O[C@@]12CCC[C@H](C(F)(F)F)C2 ZINC000084324085 538531243 /nfs/dbraw/zinc/53/12/43/538531243.db2.gz ZRXXFHQUYSJORZ-ACLDMZEESA-N 0 0 238.205 2.050 10 30 BEEERN CCCC[C@@]1(CC)O[C@@H]1C(=O)OCC ZINC000084324847 538531837 /nfs/dbraw/zinc/53/18/37/538531837.db2.gz USLDFLOUSTUMTB-MWLCHTKSSA-N 0 0 200.278 2.287 10 30 BEEERN C=C(Br)CN[C@@H]1CCC[C@H]1C#N ZINC000168273966 356708629 /nfs/dbraw/zinc/70/86/29/356708629.db2.gz BDXRFQJZUHUWKR-DTWKUNHWSA-N 0 0 229.121 2.177 10 30 BEEERN CCOC(=O)[C@H]1O[C@@]1(C)CCC(C)C ZINC000084324583 538530189 /nfs/dbraw/zinc/53/01/89/538530189.db2.gz DPNRKFSCXPAGDB-KOLCDFICSA-N 0 0 200.278 2.143 10 30 BEEERN CC(=O)Nc1cccc(NC(=O)[C@@H](C)CC#N)c1 ZINC000049832166 356774207 /nfs/dbraw/zinc/77/42/07/356774207.db2.gz FYJKRVRCCLQTTO-VIFPVBQESA-N 0 0 245.282 2.133 10 30 BEEERN Cc1ccccc1[C@@H](C)Nc1ncncc1C#N ZINC000384936796 356806680 /nfs/dbraw/zinc/80/66/80/356806680.db2.gz BNUKHYHZUZBKKY-LLVKDONJSA-N 0 0 238.294 2.252 10 30 BEEERN CCN(CCO)[C@H](C#N)c1ccc(Cl)cc1 ZINC000213065980 356931227 /nfs/dbraw/zinc/93/12/27/356931227.db2.gz TTXVZKDWYCIGFV-GFCCVEGCSA-N 0 0 238.718 2.219 10 30 BEEERN C#C[C@H](NC)c1cccc(F)c1Br ZINC000130070166 357172376 /nfs/dbraw/zinc/17/23/76/357172376.db2.gz PJBUJXUADLFCEI-VIFPVBQESA-N 0 0 242.091 2.482 10 30 BEEERN C#C[C@@H](NC)c1sccc1Br ZINC000130044475 357162477 /nfs/dbraw/zinc/16/24/77/357162477.db2.gz ZUAPXUXSZGEJCI-SSDOTTSWSA-N 0 0 230.130 2.404 10 30 BEEERN CCCn1cc(CN[C@H]2CCC[C@H]2C#N)cn1 ZINC000230686636 357550159 /nfs/dbraw/zinc/55/01/59/357550159.db2.gz QPFGOZWQJWOQNF-STQMWFEESA-N 0 0 232.331 2.075 10 30 BEEERN CC(C)n1cc(CN[C@H]2CCC[C@H]2C#N)cn1 ZINC000230686682 357550219 /nfs/dbraw/zinc/55/02/19/357550219.db2.gz SXKMORCNBNDWEN-STQMWFEESA-N 0 0 232.331 2.246 10 30 BEEERN C#CCN1CC2(CCOCC2)c2ccccc21 ZINC000192287472 357828140 /nfs/dbraw/zinc/82/81/40/357828140.db2.gz HPJULDVFJGKZCT-UHFFFAOYSA-N 0 0 227.307 2.188 10 30 BEEERN CCc1cc(NC(=O)c2sccc2C#N)n[nH]1 ZINC000102784792 357920037 /nfs/dbraw/zinc/92/00/37/357920037.db2.gz AVXXDYVOVOYUDR-UHFFFAOYSA-N 0 0 246.295 2.158 10 30 BEEERN CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000610496206 357956330 /nfs/dbraw/zinc/95/63/30/357956330.db2.gz ROUJAQJFEWDUBG-RKDXNWHRSA-N 0 0 230.258 2.230 10 30 BEEERN CC[C@@H](C#N)N1CCSc2ccc(N)cc21 ZINC000043543016 535390591 /nfs/dbraw/zinc/39/05/91/535390591.db2.gz GFNBRVDZTXHXEW-JTQLQIEISA-N 0 0 233.340 2.483 10 30 BEEERN C=CCN(c1ccccc1)S(=O)(=O)C=C ZINC000584646618 358128038 /nfs/dbraw/zinc/12/80/38/358128038.db2.gz VPNYWCHEPKWMQZ-UHFFFAOYSA-N 0 0 223.297 2.152 10 30 BEEERN CC[C@@H](C#N)C(=O)N[C@H]1CCOc2ccccc21 ZINC000051987829 358113889 /nfs/dbraw/zinc/11/38/89/358113889.db2.gz JBGNCNSYQRYNQI-JQWIXIFHSA-N 0 0 244.294 2.176 10 30 BEEERN N#Cc1ccsc1C(=O)NCc1cscn1 ZINC000052033589 358138284 /nfs/dbraw/zinc/13/82/84/358138284.db2.gz INNGANZSFZJRHN-UHFFFAOYSA-N 0 0 249.320 2.006 10 30 BEEERN C=C[C@@H](C)NC(=O)c1cnccc1Cl ZINC000160743656 358226154 /nfs/dbraw/zinc/22/61/54/358226154.db2.gz UJGPVJIDSHYOHV-SSDOTTSWSA-N 0 0 210.664 2.039 10 30 BEEERN CCC#C/C=C(\Br)C(=O)OCC ZINC000584611401 358275133 /nfs/dbraw/zinc/27/51/33/358275133.db2.gz BNYIMBGQTPDSTJ-FPLPWBNLSA-N 0 0 231.089 2.242 10 30 BEEERN N#Cc1ccc(N2C(=O)CC[C@H]2CF)cc1 ZINC000584613332 358277611 /nfs/dbraw/zinc/27/76/11/358277611.db2.gz CTDKNBSFFVGFHS-NSHDSACASA-N 0 0 218.231 2.023 10 30 BEEERN COC(=O)c1cccc([C@@H]2C/C(=N/O)CCO2)c1 ZINC000584597746 358255308 /nfs/dbraw/zinc/25/53/08/358255308.db2.gz HVLOACDAQODVMJ-SEVUAYLXSA-N 0 0 249.266 2.155 10 30 BEEERN C=CC[C@H](O)c1cccc(C(=O)OC)c1 ZINC000584597497 358255474 /nfs/dbraw/zinc/25/54/74/358255474.db2.gz QXECIIOTHWTDPE-NSHDSACASA-N 0 0 206.241 2.083 10 30 BEEERN Cc1c(C)c(=O)[nH]nc1-c1ccc(C#N)cc1 ZINC000584598636 358255817 /nfs/dbraw/zinc/25/58/17/358255817.db2.gz AJAHETCWYUNSFC-UHFFFAOYSA-N 0 0 225.251 2.338 10 30 BEEERN COC(=O)c1ccc(C#N)cc1C(C)C ZINC000584598233 358255867 /nfs/dbraw/zinc/25/58/67/358255867.db2.gz JSXVLLCTWNAWTG-UHFFFAOYSA-N 0 0 203.241 2.468 10 30 BEEERN C=CCOc1cc(OC)cc(C(=O)OCC)c1 ZINC000584597952 358255949 /nfs/dbraw/zinc/25/59/49/358255949.db2.gz XABLGAKNNIQHSW-UHFFFAOYSA-N 0 0 236.267 2.437 10 30 BEEERN CS(=O)(=O)O[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000584601166 358258129 /nfs/dbraw/zinc/25/81/29/358258129.db2.gz YQENJXKMIZGHRL-KNVOCYPGSA-N 0 0 246.250 2.084 10 30 BEEERN Cc1cccc([C@H](C(=O)[O-])[N+](C)(C)C)c1C ZINC000584602074 358259351 /nfs/dbraw/zinc/25/93/51/358259351.db2.gz CLBLAORUYWEKHR-GFCCVEGCSA-O 0 0 222.308 2.135 10 30 BEEERN C#C[C@](O)(C1CCCCC1)C1(C#N)CC1 ZINC000584603482 358261842 /nfs/dbraw/zinc/26/18/42/358261842.db2.gz YRWOGZACALWYJE-ZDUSSCGKSA-N 0 0 203.285 2.235 10 30 BEEERN CC(C)(C(=O)Nc1cccc(Cl)c1)[N+](=O)[O-] ZINC000584605563 358264390 /nfs/dbraw/zinc/26/43/90/358264390.db2.gz ZHRPITLUINZLPO-UHFFFAOYSA-N 0 0 242.662 2.334 10 30 BEEERN Cc1cccc([C@@H](C[N+](=O)[O-])[C@@H](C)C=O)c1 ZINC000584608057 358268313 /nfs/dbraw/zinc/26/83/13/358268313.db2.gz KNRBXCUYMREDKD-JQWIXIFHSA-N 0 0 221.256 2.190 10 30 BEEERN C/C=C1\COc2c(OC)cccc2C1=O ZINC000584609626 358271285 /nfs/dbraw/zinc/27/12/85/358271285.db2.gz LJPOYBJEKMFEMR-FPYGCLRLSA-N 0 0 204.225 2.217 10 30 BEEERN C/C=C/COC(=O)NOC(=O)c1ccccc1 ZINC000584609972 358272004 /nfs/dbraw/zinc/27/20/04/358272004.db2.gz DANCBANOUBJOSC-NSCUHMNNSA-N 0 0 235.239 2.061 10 30 BEEERN CC(C)(C)[S@@](=O)/N=C/c1cscn1 ZINC000584610432 358273111 /nfs/dbraw/zinc/27/31/11/358273111.db2.gz JREHRBCJSYXAGC-MQSIBISMSA-N 0 0 216.331 2.024 10 30 BEEERN Cc1ccc(S(=O)(=O)/N=C2/C=CCC2)cc1 ZINC000584610293 358273208 /nfs/dbraw/zinc/27/32/08/358273208.db2.gz YLHGHYHSYZSHHC-QBFSEMIESA-N 0 0 235.308 2.475 10 30 BEEERN C=CCN(CC=C)[S@](=O)C(C)(C)C ZINC000584610448 358273395 /nfs/dbraw/zinc/27/33/95/358273395.db2.gz NPTACZMQYPADDT-CYBMUJFWSA-N 0 0 201.335 2.123 10 30 BEEERN COc1nccc2c1c(C#N)nn2C(C)(C)C ZINC000584619615 358285988 /nfs/dbraw/zinc/28/59/88/358285988.db2.gz IBBAEAIUKIAXLZ-UHFFFAOYSA-N 0 0 230.271 2.067 10 30 BEEERN CC[C@@H](CO)Nc1ccc2c(C#N)nccc2c1 ZINC000584619914 358287046 /nfs/dbraw/zinc/28/70/46/358287046.db2.gz MHMLYXGZJDKYNZ-NSHDSACASA-N 0 0 241.294 2.289 10 30 BEEERN N#Cc1ccnc(C#Cc2cccs2)c1 ZINC000584622355 358290247 /nfs/dbraw/zinc/29/02/47/358290247.db2.gz NMCPQNYBFVSAMV-UHFFFAOYSA-N 0 0 210.261 2.415 10 30 BEEERN Clc1cc(N=NCc2ccco2)ncn1 ZINC000584625242 358293988 /nfs/dbraw/zinc/29/39/88/358293988.db2.gz FIFPFDBEWITOAS-WLRTZDKTSA-N 0 0 222.635 2.169 10 30 BEEERN Cc1ccc(C2(C=O)CCOCC2)cc1F ZINC000584625707 358294981 /nfs/dbraw/zinc/29/49/81/358294981.db2.gz PTQZLYBCZKBOCS-UHFFFAOYSA-N 0 0 222.259 2.381 10 30 BEEERN CC[C@]1(/N=C/c2ccccc2)CCCNC1=O ZINC000584627581 358297039 /nfs/dbraw/zinc/29/70/39/358297039.db2.gz YHPBZZMODAADPJ-LUYJPIOASA-N 0 0 230.311 2.164 10 30 BEEERN C=CC(F)(F)Oc1ccc(C(=O)OC)nc1 ZINC000584629733 358299058 /nfs/dbraw/zinc/29/90/58/358299058.db2.gz PWZJGDRERDEHHT-UHFFFAOYSA-N 0 0 229.182 2.026 10 30 BEEERN C[C@@H](C#N)N(C)C(=O)N(C)c1ccccc1 ZINC000584630281 358299804 /nfs/dbraw/zinc/29/98/04/358299804.db2.gz SRPLHVIQQHIATP-JTQLQIEISA-N 0 0 217.272 2.087 10 30 BEEERN C=CCOc1cc(OC)ccc1OC[C@H]1CO1 ZINC000584651053 358305491 /nfs/dbraw/zinc/30/54/91/358305491.db2.gz VAGVGDQETIRIAR-LLVKDONJSA-N 0 0 236.267 2.038 10 30 BEEERN C=CCOc1ccc(OC)cc1OC[C@@H]1CO1 ZINC000584651044 358305533 /nfs/dbraw/zinc/30/55/33/358305533.db2.gz RGQYNJNVQRVYKH-NSHDSACASA-N 0 0 236.267 2.038 10 30 BEEERN C=CCOc1c(OC)cccc1OC[C@@H]1CO1 ZINC000584651060 358305754 /nfs/dbraw/zinc/30/57/54/358305754.db2.gz WIGDYNBJQMPNON-JTQLQIEISA-N 0 0 236.267 2.038 10 30 BEEERN C#CCOC[C@@H]1O[C@@H]1c1ccc(Cl)cc1 ZINC000584656949 358308743 /nfs/dbraw/zinc/30/87/43/358308743.db2.gz MCILUJVUIYQETH-NWDGAFQWSA-N 0 0 222.671 2.430 10 30 BEEERN CC1=C[C@]2(C)N=NN3CCC[C@@](C)(C1=O)[C@@H]32 ZINC000584659915 358311958 /nfs/dbraw/zinc/31/19/58/358311958.db2.gz ZMUQRYGLFZPZCX-WOPDTQHZSA-N 0 0 219.288 2.126 10 30 BEEERN CC1=C[C@]2(C)N=NN3CCC[C@](C)(C1=O)[C@@H]32 ZINC000584659914 358311966 /nfs/dbraw/zinc/31/19/66/358311966.db2.gz ZMUQRYGLFZPZCX-UTUOFQBUSA-N 0 0 219.288 2.126 10 30 BEEERN C=CCNC(=O)c1cc(CCC)c(CC)[nH]c1=O ZINC000584633077 358316217 /nfs/dbraw/zinc/31/62/17/358316217.db2.gz VSOPRYALMOOVFR-UHFFFAOYSA-N 0 0 248.326 2.218 10 30 BEEERN C=C[C@]1(c2cccc(OC)c2)COC(=O)O1 ZINC000584634219 358318134 /nfs/dbraw/zinc/31/81/34/358318134.db2.gz DTTMCOHGVODGOQ-GFCCVEGCSA-N 0 0 220.224 2.243 10 30 BEEERN Cc1cc(O)ccc1-c1c(C)ncnc1C#N ZINC000584636847 358321726 /nfs/dbraw/zinc/32/17/26/358321726.db2.gz HKRYCWUTNRXNNM-UHFFFAOYSA-N 0 0 225.251 2.338 10 30 BEEERN O=C1C=C(Br)C(=O)c2ccsc21 ZINC000584637853 358323325 /nfs/dbraw/zinc/32/33/25/358323325.db2.gz BLPCFCJJVCCWAG-UHFFFAOYSA-N 0 0 243.081 2.406 10 30 BEEERN C#C[C@@H]1CN=C(c2ccc(C(F)(F)F)cc2)O1 ZINC000584638347 358323906 /nfs/dbraw/zinc/32/39/06/358323906.db2.gz OAUYHMNDHWVFPJ-SNVBAGLBSA-N 0 0 239.196 2.484 10 30 BEEERN N#C[C@@H](c1ccccc1)[C@@H](CCO)c1cnco1 ZINC000584638717 358324462 /nfs/dbraw/zinc/32/44/62/358324462.db2.gz UGFYNANYIKNZLR-OLZOCXBDSA-N 0 0 242.278 2.448 10 30 BEEERN NC1=CC(=O)c2ncccc2C1=Nc1ccccc1 ZINC000584640432 358326827 /nfs/dbraw/zinc/32/68/27/358326827.db2.gz GWZXEIHEAYNKPZ-JXAWBTAJSA-N 0 0 249.273 2.241 10 30 BEEERN CC#Cc1cc(O)ccc1CCC(=O)OCC ZINC000584641293 358327096 /nfs/dbraw/zinc/32/70/96/358327096.db2.gz FYURIOQDFYXNSR-UHFFFAOYSA-N 0 0 232.279 2.259 10 30 BEEERN C#CC[C@H](C)Nc1ncnc2c1CCCC2 ZINC000131603496 358686849 /nfs/dbraw/zinc/68/68/49/358686849.db2.gz BZCQKZPMOAYVBN-JTQLQIEISA-N 0 0 215.300 2.179 10 30 BEEERN CCc1cnc(CN[C@H]2CCC[C@@H]2C#N)s1 ZINC000132443654 358723359 /nfs/dbraw/zinc/72/33/59/358723359.db2.gz AKBIMBBVDFWJGD-KOLCDFICSA-N 0 0 235.356 2.487 10 30 BEEERN CC1(C)CCC[C@H]1NC(=O)C#CBr ZINC000306150509 358872821 /nfs/dbraw/zinc/87/28/21/358872821.db2.gz CSUFPXNEKXPRJC-MRVPVSSYSA-N 0 0 244.132 2.037 10 30 BEEERN N#Cc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1 ZINC000054825630 358876241 /nfs/dbraw/zinc/87/62/41/358876241.db2.gz NEOPADFFDRQYKI-KGLIPLIRSA-N 0 0 225.295 2.340 10 30 BEEERN N#CCCCNC(=O)c1cccc2ncccc21 ZINC000061415169 358934223 /nfs/dbraw/zinc/93/42/23/358934223.db2.gz ADYIXNRUUUDXQE-UHFFFAOYSA-N 0 0 239.278 2.268 10 30 BEEERN Cc1cccnc1CN[C@@H]1CCC[C@H]1C#N ZINC000070908715 359064927 /nfs/dbraw/zinc/06/49/27/359064927.db2.gz HVYOSIHDHVDDIM-NWDGAFQWSA-N 0 0 215.300 2.172 10 30 BEEERN CC[C@H](S)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000306205288 359297135 /nfs/dbraw/zinc/29/71/35/359297135.db2.gz OLQXCJAHXXNPAK-BBBLOLIVSA-N 0 0 215.362 2.484 10 30 BEEERN C[C@@H](CS)CN1CC(F)(F)C(F)(F)C1 ZINC000306246398 359435348 /nfs/dbraw/zinc/43/53/48/359435348.db2.gz RPHDURQTVAIFHR-ZCFIWIBFSA-N 0 0 231.258 2.139 10 30 BEEERN C[C@](O)(C=O)c1ccc(Cl)cc1Cl ZINC000306252970 359461395 /nfs/dbraw/zinc/46/13/95/359461395.db2.gz MVNNMHCWYHMCDE-VIFPVBQESA-N 0 0 219.067 2.400 10 30 BEEERN C#C[C@](C)(CC)Oc1ccnc(Cl)n1 ZINC000306254005 359464487 /nfs/dbraw/zinc/46/44/87/359464487.db2.gz NUTHZLRTLNLTOE-SNVBAGLBSA-N 0 0 210.664 2.311 10 30 BEEERN N#Cc1nccc(OC(F)F)c1Br ZINC000306272133 359504014 /nfs/dbraw/zinc/50/40/14/359504014.db2.gz WGTNXYFIWNGQRB-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN CC[C@@H]1CCCCN1C(=O)C#CBr ZINC000306323563 359608188 /nfs/dbraw/zinc/60/81/88/359608188.db2.gz OVBUXKGVTUZPJK-SECBINFHSA-N 0 0 244.132 2.133 10 30 BEEERN N#CC1(c2ncncc2Cl)CCCC1 ZINC000306322037 359609419 /nfs/dbraw/zinc/60/94/19/359609419.db2.gz YFIXKBYXTFBBML-UHFFFAOYSA-N 0 0 207.664 2.465 10 30 BEEERN C[C@]1([C@@H]2CC[C@H](C=O)O2)CCCS1 ZINC000306330598 359611025 /nfs/dbraw/zinc/61/10/25/359611025.db2.gz CFRPPCVVHRXDDR-KXUCPTDWSA-N 0 0 200.303 2.019 10 30 BEEERN C#CCON=c1cc(C)c(Br)c[nH]1 ZINC000306376009 359711284 /nfs/dbraw/zinc/71/12/84/359711284.db2.gz MYSPLFFEAKKVGS-UHFFFAOYSA-N 0 0 241.088 2.129 10 30 BEEERN Cc1cc(C#N)cc(N[C@@H]2CCCC[C@@H]2CO)n1 ZINC000231318847 359753832 /nfs/dbraw/zinc/75/38/32/359753832.db2.gz QTLYJYVNJOFHIF-CHWSQXEVSA-N 0 0 245.326 2.225 10 30 BEEERN C[C@H](/C(N)=N/O)c1ccc(Br)cc1 ZINC000306386965 359741782 /nfs/dbraw/zinc/74/17/82/359741782.db2.gz LYEROOWTFVOBRA-LURJTMIESA-N 0 0 243.104 2.299 10 30 BEEERN C[C@H]1CC[C@]1(C#N)NCc1ccccc1 ZINC000306389127 359743567 /nfs/dbraw/zinc/74/35/67/359743567.db2.gz WJJYYZPHUUVLHX-WCQYABFASA-N 0 0 200.285 2.468 10 30 BEEERN C#CC[C@H](NN)c1ccc(Cl)cc1F ZINC000169209145 359773234 /nfs/dbraw/zinc/77/32/34/359773234.db2.gz HJKKLOGDBXTQBP-JTQLQIEISA-N 0 0 212.655 2.007 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C12CCC(CC1)C2 ZINC000612300654 359776127 /nfs/dbraw/zinc/77/61/27/359776127.db2.gz XEKIOCXQSIAAKW-ATJQQHLPSA-N 0 0 232.327 2.375 10 30 BEEERN C#CC(C)(C)Nc1ncc(Br)cn1 ZINC000069682310 359768948 /nfs/dbraw/zinc/76/89/48/359768948.db2.gz QDKULHIBVFWTOJ-UHFFFAOYSA-N 0 0 240.104 2.063 10 30 BEEERN O=C(C#CBr)NC1CCCCCC1 ZINC000306411743 359820197 /nfs/dbraw/zinc/82/01/97/359820197.db2.gz OPRUPSNMZZUGQN-UHFFFAOYSA-N 0 0 244.132 2.181 10 30 BEEERN C[C@@H]1CCCC[C@H]1NC(=O)C#CBr ZINC000306414303 359816074 /nfs/dbraw/zinc/81/60/74/359816074.db2.gz VXWCQEWAWAGLBC-RKDXNWHRSA-N 0 0 244.132 2.037 10 30 BEEERN C[C@@H]1COCC[C@@]1(C#N)NCc1ccccc1 ZINC000306425996 359874240 /nfs/dbraw/zinc/87/42/40/359874240.db2.gz RJXFTNXYLMGDNE-OCCSQVGLSA-N 0 0 230.311 2.095 10 30 BEEERN CCN(C[C@@H](C)C#N)C[C@H]1Cc2ccccc2O1 ZINC000090874861 360090984 /nfs/dbraw/zinc/09/09/84/360090984.db2.gz NNYVMBCKSGBYKJ-GXTWGEPZSA-N 0 0 244.338 2.472 10 30 BEEERN C[C@H](CC#N)N(C)C[C@@H]1Cc2ccccc2O1 ZINC000090874885 360091495 /nfs/dbraw/zinc/09/14/95/360091495.db2.gz NIIUARUVBAQQBR-YPMHNXCESA-N 0 0 230.311 2.224 10 30 BEEERN CCN(C[C@@H](C)C#N)C[C@@H]1Cc2ccccc2O1 ZINC000090874860 360091689 /nfs/dbraw/zinc/09/16/89/360091689.db2.gz NNYVMBCKSGBYKJ-JSGCOSHPSA-N 0 0 244.338 2.472 10 30 BEEERN C[C@H](CF)Nc1snc(Cl)c1C#N ZINC000306490023 360197515 /nfs/dbraw/zinc/19/75/15/360197515.db2.gz UJZZPGYADOJYNL-SCSAIBSYSA-N 0 0 219.672 2.438 10 30 BEEERN C=CCOc1nc(C)nc(C)c1Br ZINC000306489160 360175787 /nfs/dbraw/zinc/17/57/87/360175787.db2.gz LAQLQVHNRCSJEI-UHFFFAOYSA-N 0 0 243.104 2.421 10 30 BEEERN Cc1cscc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000094239595 360300557 /nfs/dbraw/zinc/30/05/57/360300557.db2.gz PIVYHBSPXHYSRL-KOLCDFICSA-N 0 0 234.324 2.479 10 30 BEEERN N#Cc1nccc(Br)c1OC(F)F ZINC000306517082 360341605 /nfs/dbraw/zinc/34/16/05/360341605.db2.gz AAKJZMUDDAAEGK-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN C[C@]1(C=O)CC[C@H](Cc2ccccc2)O1 ZINC000306519832 360344753 /nfs/dbraw/zinc/34/47/53/360344753.db2.gz JIZDPBSACPKUMZ-CHWSQXEVSA-N 0 0 204.269 2.366 10 30 BEEERN CSC1([C@@H](O)C2(C#N)CCCC2)CC1 ZINC000306535962 360400063 /nfs/dbraw/zinc/40/00/63/360400063.db2.gz KDKLJFOQAYDLOU-VIFPVBQESA-N 0 0 211.330 2.327 10 30 BEEERN CCN(C[C@H](C)C#N)c1cccc(F)c1N ZINC000042448134 169889175 /nfs/dbraw/zinc/88/91/75/169889175.db2.gz JYWUCMQUCJWLDG-SECBINFHSA-N 0 0 221.279 2.394 10 30 BEEERN N#Cc1cc(F)c(OC(F)F)cc1F ZINC000306532660 360392374 /nfs/dbraw/zinc/39/23/74/360392374.db2.gz BYJWBMDBMZHYTO-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN C[C@](C#N)(CO)Nc1cccc(Cl)c1 ZINC000306543220 360411536 /nfs/dbraw/zinc/41/15/36/360411536.db2.gz RYDQBVKJLFGKFG-JTQLQIEISA-N 0 0 210.664 2.026 10 30 BEEERN CC(C)(C)C#CC[C@H](O)c1csnn1 ZINC000300731754 360423887 /nfs/dbraw/zinc/42/38/87/360423887.db2.gz FUOCWVYXIRVCBE-VIFPVBQESA-N 0 0 210.302 2.011 10 30 BEEERN C#CC(=O)c1cc(Br)oc1C ZINC000306603293 360530106 /nfs/dbraw/zinc/53/01/06/360530106.db2.gz DJNFWLBBGSMJPD-UHFFFAOYSA-N 0 0 213.030 2.166 10 30 BEEERN CC(C)C[C@@](C)(C#N)NCC(F)(F)F ZINC000037970987 219815939 /nfs/dbraw/zinc/81/59/39/219815939.db2.gz XVBJFTXIQJCSTF-QMMMGPOBSA-N 0 0 208.227 2.467 10 30 BEEERN CC(C)(C)C#CC[C@@H](NN)C(F)(F)Cl ZINC000300812284 360517263 /nfs/dbraw/zinc/51/72/63/360517263.db2.gz XOSPKDGIVXYEGG-SSDOTTSWSA-N 0 0 224.682 2.090 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1S ZINC000238105067 360562200 /nfs/dbraw/zinc/56/22/00/360562200.db2.gz HYNWLTCHEVLKRL-SFYZADRCSA-N 0 0 217.334 2.362 10 30 BEEERN N#CCc1ccc(Br)c(C#N)c1 ZINC000238060277 360542200 /nfs/dbraw/zinc/54/22/00/360542200.db2.gz CVXOGLHVZCJZNQ-UHFFFAOYSA-N 0 0 221.057 2.387 10 30 BEEERN NC(=O)c1ccccc1NC=C1CCCCC1=O ZINC000101413052 181306621 /nfs/dbraw/zinc/30/66/21/181306621.db2.gz KHTRJRPNPUBQOC-MDZDMXLPSA-N 0 0 244.294 2.224 10 30 BEEERN CCc1cc(C#N)cc(F)c1C(=O)OC ZINC000238312375 360856905 /nfs/dbraw/zinc/85/69/05/360856905.db2.gz VLYLUTJETAMGIS-UHFFFAOYSA-N 0 0 207.204 2.046 10 30 BEEERN CC(C)=CC(=O)CN(C)C(=O)OC(C)(C)C ZINC000238306928 360833673 /nfs/dbraw/zinc/83/36/73/360833673.db2.gz NBGOGUCKCJFIIN-UHFFFAOYSA-N 0 0 227.304 2.389 10 30 BEEERN C=CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000036334450 360925403 /nfs/dbraw/zinc/92/54/03/360925403.db2.gz NHWYDCINTCSRBF-UHFFFAOYSA-N 0 0 218.281 2.233 10 30 BEEERN COC(=O)c1ccc(C#N)c(Cl)c1OC ZINC000238381258 360987961 /nfs/dbraw/zinc/98/79/61/360987961.db2.gz HWTODGUYYOBERK-UHFFFAOYSA-N 0 0 225.631 2.007 10 30 BEEERN C[C@@H]1O[C@@]1(C)C(=O)/C=C/c1ccccc1 ZINC000238419920 361013287 /nfs/dbraw/zinc/01/32/87/361013287.db2.gz PGWHLIYLLPLZOL-NBICGZMJSA-N 0 0 202.253 2.446 10 30 BEEERN Cc1c(CC#N)ccnc1OC(F)(F)F ZINC000238445053 361068025 /nfs/dbraw/zinc/06/80/25/361068025.db2.gz RVUHEGWNMNDOEK-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1cc(CC#N)cc(OC(F)(F)F)n1 ZINC000238470208 361087806 /nfs/dbraw/zinc/08/78/06/361087806.db2.gz MHXRQNLRPQENHZ-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1cnc(CC#N)c(OC(F)(F)F)c1 ZINC000238516800 361134349 /nfs/dbraw/zinc/13/43/49/361134349.db2.gz IRDNUVWEUYQZGL-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN N#CCc1cnc(F)c(OC(F)(F)F)c1 ZINC000238595777 361161101 /nfs/dbraw/zinc/16/11/01/361161101.db2.gz BKJHNKOMAFBFFV-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN Cc1c(C#N)cncc1OC(F)(F)F ZINC000238548894 361143040 /nfs/dbraw/zinc/14/30/40/361143040.db2.gz FSUASZMSUKSTLU-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1c(F)ccnc1OC(F)(F)F ZINC000238574082 361156885 /nfs/dbraw/zinc/15/68/85/361156885.db2.gz GCARCIFRJYWFAY-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1cc(OC(F)(F)F)c(F)cn1 ZINC000238577564 361157778 /nfs/dbraw/zinc/15/77/78/361157778.db2.gz JXAOCIVKRUBBET-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1cnc(OC(F)(F)F)c(F)c1 ZINC000238587745 361158597 /nfs/dbraw/zinc/15/85/97/361158597.db2.gz VYWPGQHOMSWJNK-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#Cc1c(CF)cncc1OC(F)(F)F ZINC000238695706 361180594 /nfs/dbraw/zinc/18/05/94/361180594.db2.gz SDVMIFNZGWOJTR-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN CSc1ncc(C#N)c(NC2CCC2)n1 ZINC000115601935 370673092 /nfs/dbraw/zinc/67/30/92/370673092.db2.gz CMAGCORHDSAKOD-UHFFFAOYSA-N 0 0 220.301 2.035 10 30 BEEERN N#C[C@@H]1CCCN1CCc1ccsc1 ZINC000070662434 361706869 /nfs/dbraw/zinc/70/68/69/361706869.db2.gz ZFFLZXGPTBATMJ-NSHDSACASA-N 0 0 206.314 2.279 10 30 BEEERN Cc1cnc([C@H](C)NCc2ccc(C#N)o2)o1 ZINC000231531986 361708898 /nfs/dbraw/zinc/70/88/98/361708898.db2.gz PPDXZYANWUDUNB-VIFPVBQESA-N 0 0 231.255 2.299 10 30 BEEERN CC(C)(C)OC(=O)CNc1cccc(C#N)c1 ZINC000037394145 363955060 /nfs/dbraw/zinc/95/50/60/363955060.db2.gz GYCMDEZNSFZKNT-UHFFFAOYSA-N 0 0 232.283 2.312 10 30 BEEERN CCOc1cc(C=NO)ccc1OC(F)F ZINC000252370150 364667977 /nfs/dbraw/zinc/66/79/77/364667977.db2.gz WSVOHKMNLADWSS-UHFFFAOYSA-N 0 0 231.198 2.495 10 30 BEEERN ON=Cc1cccc(I)c1 ZINC000254911768 364697882 /nfs/dbraw/zinc/69/78/82/364697882.db2.gz OICWFLFKJWZKBH-UHFFFAOYSA-N 0 0 247.035 2.099 10 30 BEEERN CCCCN(C)c1ccc(/C(N)=N/O)cc1 ZINC000019865753 168785957 /nfs/dbraw/zinc/78/59/57/168785957.db2.gz HCPVZBSJJFARNI-UHFFFAOYSA-N 0 0 221.304 2.017 10 30 BEEERN C[C@H](C#N)CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000182778459 366940567 /nfs/dbraw/zinc/94/05/67/366940567.db2.gz HOPGGPYQRWLDMB-GHMZBOCLSA-N 0 0 247.298 2.286 10 30 BEEERN CC(C)[C@H]1CCc2c(C#N)c(N)ncc2C1 ZINC000675063328 541464709 /nfs/dbraw/zinc/46/47/09/541464709.db2.gz CGNABXQGIWSCPM-VIFPVBQESA-N 0 0 215.300 2.296 10 30 BEEERN CC1(C)CCCc2cnc(N)c(C#N)c21 ZINC000675064134 541466360 /nfs/dbraw/zinc/46/63/60/541466360.db2.gz WFWKPSRJKSUSHM-UHFFFAOYSA-N 0 0 201.273 2.149 10 30 BEEERN CCCC[C@@]1(CC)O[C@]1(Cl)C(=O)OC ZINC000232998239 541509092 /nfs/dbraw/zinc/50/90/92/541509092.db2.gz HJKJRQMLMXNPPT-NXEZZACHSA-N 0 0 220.696 2.464 10 30 BEEERN N#Cc1ccc(OC(F)(F)F)cc1O ZINC000225055421 368140591 /nfs/dbraw/zinc/14/05/91/368140591.db2.gz LTDFDTHLUUTJBG-UHFFFAOYSA-N 0 0 203.119 2.162 10 30 BEEERN N#CCc1cccc(C(F)(F)F)c1O ZINC000215041850 368141341 /nfs/dbraw/zinc/14/13/41/368141341.db2.gz MOPVIWJDUKRGQC-UHFFFAOYSA-N 0 0 201.147 2.477 10 30 BEEERN COC(=O)c1ccc2oc(CCC=O)cc2c1 ZINC000102254208 368412020 /nfs/dbraw/zinc/41/20/20/368412020.db2.gz LYNMSOASILMJGR-UHFFFAOYSA-N 0 0 232.235 2.351 10 30 BEEERN CCO[P@](C)(=O)c1ccc(/C=N/O)cc1 ZINC000221835791 368416762 /nfs/dbraw/zinc/41/67/62/368416762.db2.gz QLBBOGCCQACUKX-SHQCLWGWSA-N 0 0 227.200 2.064 10 30 BEEERN COc1cccc2c1CC[C@H](C#N)[C@H]2C#N ZINC000039118674 368409777 /nfs/dbraw/zinc/40/97/77/368409777.db2.gz TWOYAUBDFPZDEJ-BXKDBHETSA-N 0 0 212.252 2.388 10 30 BEEERN C=CCN(CC(F)(F)F)C(=O)c1ccc[nH]1 ZINC000058272543 368508632 /nfs/dbraw/zinc/50/86/32/368508632.db2.gz GLVXGFJFZYQOGR-UHFFFAOYSA-N 0 0 232.205 2.205 10 30 BEEERN N#CC1(NC(N)=O)c2ccccc2-c2ccccc21 ZINC000001674739 368679720 /nfs/dbraw/zinc/67/97/20/368679720.db2.gz AMSTZUADFPQMDB-UHFFFAOYSA-N 0 0 249.273 2.102 10 30 BEEERN C=C[C@@H](OC(C)=O)c1ccc2c(c1)OCO2 ZINC000002009590 368733322 /nfs/dbraw/zinc/73/33/22/368733322.db2.gz TXUCQVJZBXYDKH-SNVBAGLBSA-N 0 0 220.224 2.206 10 30 BEEERN Cc1cc2ncc(C#Cc3ccccc3)cn2n1 ZINC000117727154 368960993 /nfs/dbraw/zinc/96/09/93/368960993.db2.gz YMIIKWITFLMJKW-UHFFFAOYSA-N 0 0 233.274 2.438 10 30 BEEERN N#Cc1cc(C(=O)C(F)(F)F)ccc1F ZINC000106363911 369104790 /nfs/dbraw/zinc/10/47/90/369104790.db2.gz VLZFOYAIIDARDF-UHFFFAOYSA-N 0 0 217.121 2.442 10 30 BEEERN N#Cc1c(N)nsc1-c1ccccc1 ZINC000108312943 369387758 /nfs/dbraw/zinc/38/77/58/369387758.db2.gz QTFQLNSIGFJXIN-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N#C[C@@H](NC(=O)c1csc(C2CC2)n1)C1CC1 ZINC000108829059 369410102 /nfs/dbraw/zinc/41/01/02/369410102.db2.gz LBVMICNGIZKVGX-SECBINFHSA-N 0 0 247.323 2.052 10 30 BEEERN N#Cc1cc(-c2ccccn2)nn1C(F)F ZINC000409443018 369979606 /nfs/dbraw/zinc/97/96/06/369979606.db2.gz FOYMOYHOYMPDJT-UHFFFAOYSA-N 0 0 220.182 2.212 10 30 BEEERN C=CCOc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1 ZINC000075517134 370140836 /nfs/dbraw/zinc/14/08/36/370140836.db2.gz NQSJSXWOKIWHQA-MFKMUULPSA-N 0 0 231.295 2.390 10 30 BEEERN C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000075517140 370140977 /nfs/dbraw/zinc/14/09/77/370140977.db2.gz NQSJSXWOKIWHQA-GXFFZTMASA-N 0 0 231.295 2.390 10 30 BEEERN Cc1cc(C)nc(N[C@@H]2CCC[C@H]2C#N)n1 ZINC000309912252 370274539 /nfs/dbraw/zinc/27/45/39/370274539.db2.gz NJDCDTPZFCJLBX-WDEREUQCSA-N 0 0 216.288 2.198 10 30 BEEERN C#CC[C@H](CC)N1C(=O)c2ccccc2C1=O ZINC000130995006 370624099 /nfs/dbraw/zinc/62/40/99/370624099.db2.gz AESNXMGTDXCSEY-JTQLQIEISA-N 0 0 227.263 2.085 10 30 BEEERN Cc1nn(C)c(C)c1CN[C@@H]1CCCC[C@@H]1C#N ZINC000092330812 371092302 /nfs/dbraw/zinc/09/23/02/371092302.db2.gz GGQXZONRFRUMPH-TZMCWYRMSA-N 0 0 246.358 2.209 10 30 BEEERN N#CC1([C@H](O)c2cncs2)CCCC1 ZINC000161758121 371560368 /nfs/dbraw/zinc/56/03/68/371560368.db2.gz CVKNVELTBCZJHP-SECBINFHSA-N 0 0 208.286 2.260 10 30 BEEERN C[C@H]1C[C@@H]1Nc1cc(C#N)cc(Cl)n1 ZINC000215568110 371581077 /nfs/dbraw/zinc/58/10/77/371581077.db2.gz SRCWFZHRBNZPAS-XPUUQOCRSA-N 0 0 207.664 2.427 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NCc1cncs1 ZINC000131464086 371607846 /nfs/dbraw/zinc/60/78/46/371607846.db2.gz PUSWRKQTMSMBJR-ONGXEEELSA-N 0 0 221.329 2.315 10 30 BEEERN Cc1ccc(C#N)c(S[C@H](C)CO)c1 ZINC000162417014 371673511 /nfs/dbraw/zinc/67/35/11/371673511.db2.gz YUXFYXJHYYDQFK-SECBINFHSA-N 0 0 207.298 2.340 10 30 BEEERN C[C@H](CO)Sc1ccc(C#N)cc1F ZINC000162415021 371674792 /nfs/dbraw/zinc/67/47/92/371674792.db2.gz UDDYHKGDPJLKTM-SSDOTTSWSA-N 0 0 211.261 2.170 10 30 BEEERN C#CC[C@@H](O)[C@H]1Cc2ccccc2S1 ZINC000162202334 371629127 /nfs/dbraw/zinc/62/91/27/371629127.db2.gz AFKJJVACIBXIRW-ZYHUDNBSSA-N 0 0 204.294 2.088 10 30 BEEERN N#Cc1c2c(cc(Br)c1N)CCC2 ZINC000230029403 371636455 /nfs/dbraw/zinc/63/64/55/371636455.db2.gz PNLCDEBOXIENFT-UHFFFAOYSA-N 0 0 237.100 2.392 10 30 BEEERN O=C(CS)Nc1cc(F)cc(Cl)c1 ZINC000230063153 371647117 /nfs/dbraw/zinc/64/71/17/371647117.db2.gz GLRWIDACOWSAKE-UHFFFAOYSA-N 0 0 219.668 2.347 10 30 BEEERN C#C[C@@H](O)c1ccc(Br)c(C)c1 ZINC000162297782 371649949 /nfs/dbraw/zinc/64/99/49/371649949.db2.gz YKYILTYLRJXPHD-SNVBAGLBSA-N 0 0 225.085 2.424 10 30 BEEERN Cc1cnc([C@H](C)NCC2(CC#N)CC2)o1 ZINC000227494838 371875362 /nfs/dbraw/zinc/87/53/62/371875362.db2.gz XFNUCKDLKLASNP-JTQLQIEISA-N 0 0 219.288 2.328 10 30 BEEERN C=CC(=O)c1cc(Br)ccc1N ZINC000132737381 371908977 /nfs/dbraw/zinc/90/89/77/371908977.db2.gz UWPURZIMBBQWOA-UHFFFAOYSA-N 0 0 226.073 2.400 10 30 BEEERN N#C[C@]1(c2ccccc2Cl)C[C@@H]1CO ZINC000132787149 371923792 /nfs/dbraw/zinc/92/37/92/371923792.db2.gz HHYHOHBDMRZURY-LDYMZIIASA-N 0 0 207.660 2.114 10 30 BEEERN C#CCOc1ccc(Br)cc1C#N ZINC000163087936 371924747 /nfs/dbraw/zinc/92/47/47/371924747.db2.gz WREGFZNLAIIWSZ-UHFFFAOYSA-N 0 0 236.068 2.333 10 30 BEEERN CC#CCC(=O)[C@H]1SCCS[C@H]1C ZINC000228079650 371986389 /nfs/dbraw/zinc/98/63/89/371986389.db2.gz ZRGHOADDWALQDU-WPRPVWTQSA-N 0 0 214.355 2.206 10 30 BEEERN C#CCCC(=O)[C@H]1SCCS[C@H]1C ZINC000228076428 371986575 /nfs/dbraw/zinc/98/65/75/371986575.db2.gz KNFFJNZWPQXCBD-WPRPVWTQSA-N 0 0 214.355 2.206 10 30 BEEERN O=C(C=C(O)C=Cc1ccccc1O)C(F)F ZINC000100316292 181840468 /nfs/dbraw/zinc/84/04/68/181840468.db2.gz PQLACCGHLDAVPV-AATRIKPKSA-N 0 0 240.205 2.199 10 30 BEEERN Cc1sc([C@@H](N)C#N)cc1Br ZINC000227888395 371954950 /nfs/dbraw/zinc/95/49/50/371954950.db2.gz HEDCSXFKBXBVCM-LURJTMIESA-N 0 0 231.118 2.342 10 30 BEEERN Clc1csc(/C=N/n2cccc2)n1 ZINC000306499852 372025881 /nfs/dbraw/zinc/02/58/81/372025881.db2.gz WVYWPMXWSAMCHS-BJMVGYQFSA-N 0 0 211.677 2.480 10 30 BEEERN Nc1ccccc1C(=O)C1=COCCC1 ZINC000163734080 372044160 /nfs/dbraw/zinc/04/41/60/372044160.db2.gz BAQJFJLHEQENNQ-UHFFFAOYSA-N 0 0 203.241 2.146 10 30 BEEERN CC[C@H](S)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000307321294 372111079 /nfs/dbraw/zinc/11/10/79/372111079.db2.gz QDPRKHUWDHPYDU-UTLUCORTSA-N 0 0 215.362 2.390 10 30 BEEERN C#C[C@@](C)(CC)Nc1nsnc1Cl ZINC000307372311 372116639 /nfs/dbraw/zinc/11/66/39/372116639.db2.gz QSRIKDFAFQVEMO-QMMMGPOBSA-N 0 0 215.709 2.405 10 30 BEEERN C#CC[C@@H](C)Nc1nccc(SC)n1 ZINC000306883838 372075010 /nfs/dbraw/zinc/07/50/10/372075010.db2.gz PLUURFWJMYUCEQ-MRVPVSSYSA-N 0 0 207.302 2.022 10 30 BEEERN O=C1C[C@H]2CCCC[C@@H]2N1CCCS ZINC000307207525 372097594 /nfs/dbraw/zinc/09/75/94/372097594.db2.gz MNZSOGNVYJOKNM-ZJUUUORDSA-N 0 0 213.346 2.097 10 30 BEEERN CCC[C@@H]1C[C@@]2(CCO1)CC(=O)C=CO2 ZINC000069900160 373973339 /nfs/dbraw/zinc/97/33/39/373973339.db2.gz SRRSSVGQQGANGO-VXGBXAGGSA-N 0 0 210.273 2.207 10 30 BEEERN N#Cc1ccc(-n2cc(C(F)(F)F)cn2)nc1 ZINC000070466588 374145298 /nfs/dbraw/zinc/14/52/98/374145298.db2.gz LADGRRBIXYKSRU-UHFFFAOYSA-N 0 0 238.172 2.158 10 30 BEEERN Cn1cc(S[C@H]2CCC[C@@H]2C#N)cn1 ZINC000042406121 374267430 /nfs/dbraw/zinc/26/74/30/374267430.db2.gz SIHJPZSZVZZNKQ-SCZZXKLOSA-N 0 0 207.302 2.204 10 30 BEEERN Cc1ccncc1NC1=N[C@@H](C)CS1 ZINC000070959035 374235535 /nfs/dbraw/zinc/23/55/35/374235535.db2.gz SIEPMWJBTHJJMM-QMMMGPOBSA-N 0 0 207.302 2.102 10 30 BEEERN CN(C)/C=C(\C(=O)C(F)(F)F)c1ccncc1 ZINC000144504588 374300882 /nfs/dbraw/zinc/30/08/82/374300882.db2.gz YWBADQSQBJMUCH-CLFYSBASSA-N 0 0 244.216 2.116 10 30 BEEERN O=C(Nc1ccc(C#CCCO)cc1)C1CCC1 ZINC000037549941 182352659 /nfs/dbraw/zinc/35/26/59/182352659.db2.gz NOFMYQAMHHQUEN-UHFFFAOYSA-N 0 0 243.306 2.159 10 30 BEEERN O=CCOc1ccccc1C(F)(F)F ZINC000019776792 182851669 /nfs/dbraw/zinc/85/16/69/182851669.db2.gz ONHPIKJJGMTUJQ-UHFFFAOYSA-N 0 0 204.147 2.283 10 30 BEEERN OCCC#Cc1cccc(COCC2CC2)c1 ZINC000049621323 183042262 /nfs/dbraw/zinc/04/22/62/183042262.db2.gz ANYPDYXKXAJKKU-UHFFFAOYSA-N 0 0 230.307 2.347 10 30 BEEERN O[C@H](C#CC(F)(F)F)c1ccccc1 ZINC000015774487 183218026 /nfs/dbraw/zinc/21/80/26/183218026.db2.gz KKKZUTBIBVPCEV-SECBINFHSA-N 0 0 200.159 2.286 10 30 BEEERN S=C(NN=C1CCCC1)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004322249 183311463 /nfs/dbraw/zinc/31/14/63/183311463.db2.gz UOOSNYCMDXLGIQ-JFGNBEQYSA-N 0 0 249.383 2.345 10 30 BEEERN CCCN[C@@](C)(C#N)Cn1ncc2ccccc21 ZINC000050527849 169284547 /nfs/dbraw/zinc/28/45/47/169284547.db2.gz PGHHJISHJWMFJL-AWEZNQCLSA-N 0 0 242.326 2.318 10 30 BEEERN CCCN[C@@H](C#N)c1ccc(N(C)C)cc1 ZINC000020174580 169273314 /nfs/dbraw/zinc/27/33/14/169273314.db2.gz RPSCYLQSLNLSFY-ZDUSSCGKSA-N 0 0 217.316 2.317 10 30 BEEERN CCCN[C@@H](C#N)c1ccc2c(c1)OCCO2 ZINC000020175573 169273571 /nfs/dbraw/zinc/27/35/71/169273571.db2.gz XPPFFPQRHWOMRS-NSHDSACASA-N 0 0 232.283 2.022 10 30 BEEERN CCCN[C@@H](C#N)c1ccc(OC)c(OC)c1 ZINC000020175464 169273590 /nfs/dbraw/zinc/27/35/90/169273590.db2.gz GMUTXPZMEYYHQY-NSHDSACASA-N 0 0 234.299 2.268 10 30 BEEERN CCCOCCOc1ccc(C#CCCO)cc1 ZINC000049621819 169310000 /nfs/dbraw/zinc/31/00/00/169310000.db2.gz NEVIQSSLTRWFIE-UHFFFAOYSA-N 0 0 248.322 2.226 10 30 BEEERN CCCOCc1ccc(C#CCCO)cc1F ZINC000049621827 169310027 /nfs/dbraw/zinc/31/00/27/169310027.db2.gz RRONHXMPMJODOH-UHFFFAOYSA-N 0 0 236.286 2.486 10 30 BEEERN CCC[C@@H](C#N)N1C(=O)CC(CC)(CC)C1=O ZINC000040222305 169342588 /nfs/dbraw/zinc/34/25/88/169342588.db2.gz IPEPVIFPGLWHOP-JTQLQIEISA-N 0 0 236.315 2.244 10 30 BEEERN CCC[C@@H](C#N)N1C(=O)CC2(CCCC2)CC1=O ZINC000040222343 169343102 /nfs/dbraw/zinc/34/31/02/169343102.db2.gz PRTAYXFDFXGGSW-NSHDSACASA-N 0 0 248.326 2.388 10 30 BEEERN CCC[C@H]1C[C@H]1Nc1cc(C)nc(C#N)c1 ZINC000336677916 169536493 /nfs/dbraw/zinc/53/64/93/169536493.db2.gz CCSHJNBVCUOPJU-GXFFZTMASA-N 0 0 215.300 2.284 10 30 BEEERN C#CCC(C)(C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000185394400 532990836 /nfs/dbraw/zinc/99/08/36/532990836.db2.gz FUWJQPVIYYMKLZ-CHWSQXEVSA-N 0 0 249.354 2.206 10 30 BEEERN CC(C)(C#N)C(=O)NCCC1=CCCC1 ZINC000131570748 383835656 /nfs/dbraw/zinc/83/56/56/383835656.db2.gz ZJTQYYDTTQMXTI-UHFFFAOYSA-N 0 0 206.289 2.153 10 30 BEEERN N#Cc1c[nH]c(-c2nc([C@H]3CC34CC4)no2)c1 ZINC000334965693 383991066 /nfs/dbraw/zinc/99/10/66/383991066.db2.gz ANBOPAXQPDSMBY-MRVPVSSYSA-N 0 0 226.239 2.204 10 30 BEEERN CCc1c(C#N)cc(CC#N)cc1[N+](=O)[O-] ZINC000575649024 383944883 /nfs/dbraw/zinc/94/48/83/383944883.db2.gz SNSKPCUSLJFZRP-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN N#Cc1ccc(CC(=O)N2C[C@H]3CCC[C@H]32)cc1 ZINC000334909021 383975158 /nfs/dbraw/zinc/97/51/58/383975158.db2.gz JDTREXPSFIINKI-ZIAGYGMSSA-N 0 0 240.306 2.112 10 30 BEEERN N#Cc1ccc(CC(=O)N2C[C@@H]3CCC[C@H]32)cc1 ZINC000334909020 383976792 /nfs/dbraw/zinc/97/67/92/383976792.db2.gz JDTREXPSFIINKI-UONOGXRCSA-N 0 0 240.306 2.112 10 30 BEEERN COc1ccc(F)c2c(C#N)nccc12 ZINC000259712758 384028874 /nfs/dbraw/zinc/02/88/74/384028874.db2.gz JBCUDLZMSVHZPS-UHFFFAOYSA-N 0 0 202.188 2.254 10 30 BEEERN Cc1cccc(C(=O)NC2(C#N)CCCC2)c1O ZINC000040217096 384131115 /nfs/dbraw/zinc/13/11/15/384131115.db2.gz JTHRBXULUPGSAY-UHFFFAOYSA-N 0 0 244.294 2.267 10 30 BEEERN O=CCc1ccc(I)cc1 ZINC000040448470 384154067 /nfs/dbraw/zinc/15/40/67/384154067.db2.gz NPPDFYGIWWHQBY-UHFFFAOYSA-N 0 0 246.047 2.033 10 30 BEEERN CCc1cc([N+](=O)[O-])c(CC#N)cc1C#N ZINC000575646010 384189599 /nfs/dbraw/zinc/18/95/99/384189599.db2.gz GQNYFSMBLDSJOC-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN CCC[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC000126970009 384232820 /nfs/dbraw/zinc/23/28/20/384232820.db2.gz LDNBYNLDNZLTKL-NSHDSACASA-N 0 0 230.315 2.365 10 30 BEEERN CN(Cc1ccc(F)cc1)c1nccnc1C#N ZINC000054379272 384237509 /nfs/dbraw/zinc/23/75/09/384237509.db2.gz ZDWASIVKZNECJZ-UHFFFAOYSA-N 0 0 242.257 2.124 10 30 BEEERN C=C[C@@H](C)NC(=O)c1ccc([S-])cc1 ZINC000235201067 384259095 /nfs/dbraw/zinc/25/90/95/384259095.db2.gz KJXTUCXWZDLNDB-MRVPVSSYSA-N 0 0 207.298 2.280 10 30 BEEERN CC(C)(C)OC(=O)N1CCC[C@]2(CO2)CC1 ZINC000117662751 384366347 /nfs/dbraw/zinc/36/63/47/384366347.db2.gz FSFSGVISPUOWAO-GFCCVEGCSA-N 0 0 227.304 2.176 10 30 BEEERN N#CCc1cc(O)cc(F)c1OC(F)F ZINC000575659261 384400666 /nfs/dbraw/zinc/40/06/66/384400666.db2.gz KPFJDQGYMOBRHW-UHFFFAOYSA-N 0 0 217.146 2.199 10 30 BEEERN C[C@H](CC1CC1)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235443260 384401550 /nfs/dbraw/zinc/40/15/50/384401550.db2.gz RVCRPGYUSNPGSA-MRVPVSSYSA-N 0 0 246.270 2.462 10 30 BEEERN Cc1nnc([C@H](C)Nc2cc(C#N)ccn2)s1 ZINC000286868224 384407229 /nfs/dbraw/zinc/40/72/29/384407229.db2.gz NGTZFJVUYKFYEC-ZETCQYMHSA-N 0 0 245.311 2.286 10 30 BEEERN COc1cc(C=O)c(OC(F)F)c(CC#N)c1 ZINC000575660962 384412159 /nfs/dbraw/zinc/41/21/59/384412159.db2.gz CKEAXQRLHNISFL-UHFFFAOYSA-N 0 0 241.193 2.175 10 30 BEEERN N#CCc1cc(F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575661267 384415835 /nfs/dbraw/zinc/41/58/35/384415835.db2.gz JQNKIVTXJTUTRN-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN COc1ccc(CC#N)c(O)c1OC(F)F ZINC000575662560 384419980 /nfs/dbraw/zinc/41/99/80/384419980.db2.gz ARPNHYIUSTXOKQ-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN Cc1cc(N(C)C2CCOCC2)c(C#N)c(C)n1 ZINC000157396709 384423805 /nfs/dbraw/zinc/42/38/05/384423805.db2.gz IKPKHVWDHRGFDU-UHFFFAOYSA-N 0 0 245.326 2.185 10 30 BEEERN C=C[C@]1(C)C[C@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C ZINC000257410294 384430018 /nfs/dbraw/zinc/43/00/18/384430018.db2.gz DVAGTAGGEQOKJU-MJDBTJCESA-N 0 0 248.322 2.233 10 30 biogenic BEEERN COC(=O)Cc1ccc(C#N)c2ccccc12 ZINC000098178833 384499139 /nfs/dbraw/zinc/49/91/39/384499139.db2.gz JHFPKJSIHVHYTC-UHFFFAOYSA-N 0 0 225.247 2.427 10 30 BEEERN CCc1cc(C(=S)/N=C(\C)N(C)C)ccn1 ZINC000100280176 384630225 /nfs/dbraw/zinc/63/02/25/384630225.db2.gz ZEKZIKHHYNFSLL-NTEUORMPSA-N 0 0 235.356 2.300 10 30 BEEERN CCOc1c(C)c(CC=O)c(C)cc1OC ZINC000098179276 384599833 /nfs/dbraw/zinc/59/98/33/384599833.db2.gz LBUCAGZUKFFBGQ-UHFFFAOYSA-N 0 0 222.284 2.452 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C=O ZINC000082351866 384672137 /nfs/dbraw/zinc/67/21/37/384672137.db2.gz KNQREOBBZDSHPN-VHSXEESVSA-N 0 0 227.304 2.269 10 30 BEEERN C[C@H](CC#N)NC(=O)C[C@@H](C)C(C)(C)C ZINC000111617672 384672282 /nfs/dbraw/zinc/67/22/82/384672282.db2.gz CFPBXCRGXBXDKX-NXEZZACHSA-N 0 0 210.321 2.477 10 30 BEEERN N#CC1(C(=O)NCCc2ccsc2)CCCC1 ZINC000044316827 384654181 /nfs/dbraw/zinc/65/41/81/384654181.db2.gz JXGRFINWHMTHBV-UHFFFAOYSA-N 0 0 248.351 2.491 10 30 BEEERN Cc1cc(C#N)c(O)cc1Br ZINC000575693293 384655374 /nfs/dbraw/zinc/65/53/74/384655374.db2.gz VURJWVSLLLHANB-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN Cn1c2ccccc2c2oc(C#N)cc(=O)c21 ZINC000039256297 384677371 /nfs/dbraw/zinc/67/73/71/384677371.db2.gz VFFKMULPAXIRGL-UHFFFAOYSA-N 0 0 224.219 2.156 10 30 BEEERN O=C(c1ccccc1)N(O)[C@@H]1CCCC/C1=N/O ZINC000103558396 384778393 /nfs/dbraw/zinc/77/83/93/384778393.db2.gz ZYMSOZIFOGODMD-POKNLVKOSA-N 0 0 248.282 2.291 10 30 BEEERN C#CCN(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000191099315 384822657 /nfs/dbraw/zinc/82/26/57/384822657.db2.gz OZBMKFPXVQWGCY-CHWSQXEVSA-N 0 0 219.328 2.294 10 30 BEEERN Cn1nccc1CNc1ccc(F)cc1C#N ZINC000111026917 384793643 /nfs/dbraw/zinc/79/36/43/384793643.db2.gz PXVDEWQTDUTIIO-UHFFFAOYSA-N 0 0 230.246 2.043 10 30 BEEERN N#CCc1c(N)cc(OC(F)F)cc1F ZINC000575716346 384873782 /nfs/dbraw/zinc/87/37/82/384873782.db2.gz RGTZDVQCGNVPMS-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN Cc1cc(CC#N)cc(OC(F)F)c1N ZINC000575717607 384884930 /nfs/dbraw/zinc/88/49/30/384884930.db2.gz UMTJILMZAZDOCS-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN CC[C@@H](CCO)Nc1cc(C)nc(C)c1C#N ZINC000158082808 384848745 /nfs/dbraw/zinc/84/87/45/384848745.db2.gz ABGIOYHKSHYVLA-NSHDSACASA-N 0 0 233.315 2.143 10 30 BEEERN N#CCc1cc(N)c(Br)c(F)c1 ZINC000575715057 384866114 /nfs/dbraw/zinc/86/61/14/384866114.db2.gz ZDLHPYQZGITWEF-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN COc1c(N)cc(CC#N)cc1Br ZINC000575714721 384867138 /nfs/dbraw/zinc/86/71/38/384867138.db2.gz MJLYYKUGKHAFMI-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN O=CC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000107145291 384951531 /nfs/dbraw/zinc/95/15/31/384951531.db2.gz FLBZZWJMNUTZIP-ZDUSSCGKSA-N 0 0 203.285 2.098 10 30 BEEERN CC(C)(C)c1cn2nc(NCC#N)sc2n1 ZINC000302334015 384982194 /nfs/dbraw/zinc/98/21/94/384982194.db2.gz UYSQHNSQVQOECX-UHFFFAOYSA-N 0 0 235.316 2.024 10 30 BEEERN C#C[C@H](C)Nc1nc2cc(F)ccc2o1 ZINC000302400259 384993271 /nfs/dbraw/zinc/99/32/71/384993271.db2.gz KVONYFPQWVNNRP-ZETCQYMHSA-N 0 0 204.204 2.401 10 30 BEEERN N#C[C@H](NC(=O)c1ccc2cc[nH]c2c1)C1CC1 ZINC000108832969 385092615 /nfs/dbraw/zinc/09/26/15/385092615.db2.gz PBPCTWKFUFBZLT-ZDUSSCGKSA-N 0 0 239.278 2.200 10 30 BEEERN N#Cc1cccnc1N1CCO[C@@H]2CCCC[C@H]21 ZINC000227164109 385099911 /nfs/dbraw/zinc/09/99/11/385099911.db2.gz RYCJDAODYSBZMS-CHWSQXEVSA-N 0 0 243.310 2.101 10 30 BEEERN CNc1ccc(C#N)cc1Br ZINC000062796832 385186800 /nfs/dbraw/zinc/18/68/00/385186800.db2.gz HPBQUPWPNVTICX-UHFFFAOYSA-N 0 0 211.062 2.362 10 30 BEEERN C[C@@H](CC#N)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000129573527 385163422 /nfs/dbraw/zinc/16/34/22/385163422.db2.gz VZUFIOZPYDXJDB-QMMMGPOBSA-N 0 0 239.300 2.390 10 30 BEEERN N#C[C@@H]1CCC[C@H]1Nc1ncncc1Cl ZINC000308867890 385225823 /nfs/dbraw/zinc/22/58/23/385225823.db2.gz GZEKMHZHJGZRNO-IONNQARKSA-N 0 0 222.679 2.234 10 30 BEEERN CCOc1c(C#N)cc(F)cc1CC#N ZINC000575647187 385241233 /nfs/dbraw/zinc/24/12/33/385241233.db2.gz ZDKKAKJENUYGSL-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN C[C@@H]1C[C@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130666916 385274529 /nfs/dbraw/zinc/27/45/29/385274529.db2.gz XWPWLUWRYFDRRZ-VXNVDRBHSA-N 0 0 217.228 2.287 10 30 BEEERN CC(=O)C=C(C)Nc1cnc2ccccn12 ZINC000167912659 385340159 /nfs/dbraw/zinc/34/01/59/385340159.db2.gz VGRAUWWMGKLGEO-CLFYSBASSA-N 0 0 215.256 2.239 10 30 BEEERN CCC(=O)C(Oc1ccc(C#N)cc1)C(=O)CC ZINC000584599196 385465355 /nfs/dbraw/zinc/46/53/55/385465355.db2.gz SJQAIDRGZNDJHJ-UHFFFAOYSA-N 0 0 245.278 2.264 10 30 BEEERN N#Cc1ccc(C2(n3cncc3C=O)CC2)cc1 ZINC000584599002 385469931 /nfs/dbraw/zinc/46/99/31/385469931.db2.gz GFEDKPCAXQTDOE-UHFFFAOYSA-N 0 0 237.262 2.105 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@@H]2CCO[C@H]2C)n1 ZINC000149803842 385517079 /nfs/dbraw/zinc/51/70/79/385517079.db2.gz VIKOBBKAQYLKHF-CMPLNLGQSA-N 0 0 231.299 2.159 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@@H]2CCO[C@@H]2C)n1 ZINC000149803397 385517272 /nfs/dbraw/zinc/51/72/72/385517272.db2.gz VIKOBBKAQYLKHF-ZYHUDNBSSA-N 0 0 231.299 2.159 10 30 BEEERN N#Cc1ccc([C@H]2CCCO2)nc1Cl ZINC000258017295 385523010 /nfs/dbraw/zinc/52/30/10/385523010.db2.gz HSMNIWSHQZPUJC-SECBINFHSA-N 0 0 208.648 2.458 10 30 BEEERN CCc1cc(N[C@H]2CCC[C@H]2C#N)nc(C)n1 ZINC000408173027 385606015 /nfs/dbraw/zinc/60/60/15/385606015.db2.gz DPWMAWKOGRDCDX-JQWIXIFHSA-N 0 0 230.315 2.452 10 30 BEEERN CCOC(=O)c1cc(C)c(OC)c(C#N)c1 ZINC000259952994 385616762 /nfs/dbraw/zinc/61/67/62/385616762.db2.gz ALAFWHSVUQYFQZ-UHFFFAOYSA-N 0 0 219.240 2.052 10 30 BEEERN CC#CCN1CCO[C@H](c2cccc(OC)c2)C1 ZINC000119173438 385622182 /nfs/dbraw/zinc/62/21/82/385622182.db2.gz NZVFQCFSLCFZRU-HNNXBMFYSA-N 0 0 245.322 2.092 10 30 BEEERN Cc1csc(CN[C@H]2CCC[C@H]2C#N)n1 ZINC000054825972 385665203 /nfs/dbraw/zinc/66/52/03/385665203.db2.gz APWXALLCTNYXFG-UWVGGRQHSA-N 0 0 221.329 2.233 10 30 BEEERN CO[C@H](c1noc(-c2ccc(C#N)[nH]2)n1)C1CC1 ZINC000234730947 386093915 /nfs/dbraw/zinc/09/39/15/386093915.db2.gz RRWGWHGIJVAOGF-JTQLQIEISA-N 0 0 244.254 2.034 10 30 BEEERN C#CCOc1c(N)cc(F)cc1Br ZINC000052856017 386140221 /nfs/dbraw/zinc/14/02/21/386140221.db2.gz PYIUOBXMYYISTE-UHFFFAOYSA-N 0 0 244.063 2.182 10 30 BEEERN CC(C)(O)C#Cc1ccc2ccccc2n1 ZINC000090760472 386266838 /nfs/dbraw/zinc/26/68/38/386266838.db2.gz PHEYDGICXQSBEP-UHFFFAOYSA-N 0 0 211.264 2.357 10 30 BEEERN C=CCc1c(C)nc(NCCCC)[nH]c1=O ZINC000058824148 386338563 /nfs/dbraw/zinc/33/85/63/386338563.db2.gz GERFMSCSVSSPAR-UHFFFAOYSA-N 0 0 221.304 2.019 10 30 BEEERN C=C[C@H](CC#N)NC(=O)OCc1ccccc1 ZINC000521400840 386451150 /nfs/dbraw/zinc/45/11/50/386451150.db2.gz QZUJVJWRHCXFOK-GFCCVEGCSA-N 0 0 230.267 2.381 10 30 BEEERN O=C1N=C(Nc2ccccc2)C(=NO)S1 ZINC000005905459 386492210 /nfs/dbraw/zinc/49/22/10/386492210.db2.gz GMWJVQOPJQTZJN-WQLSENKSSA-N 0 0 221.241 2.165 10 30 BEEERN COC(=O)c1c(C#N)cccc1OC(F)(F)F ZINC000575344866 386711503 /nfs/dbraw/zinc/71/15/03/386711503.db2.gz CWKPACSMMPOCGH-UHFFFAOYSA-N 0 0 245.156 2.243 10 30 BEEERN COC(=O)c1cc(OC)cc(C#N)c1C(F)F ZINC000575343511 386690525 /nfs/dbraw/zinc/69/05/25/386690525.db2.gz BTIBXKJFZAWXHL-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1c(C#N)cc(OC)cc1C(F)F ZINC000575343639 386691119 /nfs/dbraw/zinc/69/11/19/386691119.db2.gz UOOGOUKDCRCMGD-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN CCOC(=O)Cc1c(F)cc(C#N)cc1CC ZINC000575344457 386691186 /nfs/dbraw/zinc/69/11/86/386691186.db2.gz ZKZLOABLOYJTTN-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN COC(=O)c1cc(OC)c(C#N)c(C(F)F)c1 ZINC000575343622 386691282 /nfs/dbraw/zinc/69/12/82/386691282.db2.gz RSASPOITSJWIDM-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1cc(C(F)F)cc(OC)c1C#N ZINC000575343560 386691676 /nfs/dbraw/zinc/69/16/76/386691676.db2.gz ISMBMSKEOBIQLG-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN CCOC(=O)c1cc([N+](=O)[O-])cc(CC)c1C#N ZINC000575389092 386952746 /nfs/dbraw/zinc/95/27/46/386952746.db2.gz XBVYAHJQKJSUCS-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOC(=O)c1cc(C#N)c([N+](=O)[O-])cc1CC ZINC000575389134 386952808 /nfs/dbraw/zinc/95/28/08/386952808.db2.gz ZYGUIXWTNVXHCM-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN COC(=O)c1c(C#N)ccc(C(F)F)c1C=O ZINC000575389391 386953091 /nfs/dbraw/zinc/95/30/91/386953091.db2.gz FTVIGWDLEXRSDC-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN CCOC(=O)c1c(C#N)cc(CC)cc1[N+](=O)[O-] ZINC000575389131 386953219 /nfs/dbraw/zinc/95/32/19/386953219.db2.gz ZUSWLGWURMXLMZ-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN COC(=O)Cc1c(F)cc(C#N)cc1C(F)F ZINC000575390000 386955077 /nfs/dbraw/zinc/95/50/77/386955077.db2.gz ZHDDBDJTICUIRF-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN CCOC(=O)Cc1ccc(CC)c(F)c1C#N ZINC000575389813 386955368 /nfs/dbraw/zinc/95/53/68/386955368.db2.gz PLDKBDOFNPOCQK-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN CCOC(=O)c1cc(C#N)c(CC)c(OC)c1 ZINC000575388070 386959028 /nfs/dbraw/zinc/95/90/28/386959028.db2.gz SUHOEOOQMOYYKK-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1OC ZINC000575388069 386959175 /nfs/dbraw/zinc/95/91/75/386959175.db2.gz SQWWEFFIXIVZOA-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN CCOC(=O)c1ccc(C#N)c(CC)c1OC ZINC000575388056 386959200 /nfs/dbraw/zinc/95/92/00/386959200.db2.gz QORSWYMAUOZZOC-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN Cc1cc(N[C@@H]2CCC[C@H]2C#N)nc(C)n1 ZINC000393762795 386983241 /nfs/dbraw/zinc/98/32/41/386983241.db2.gz NGUJZEYZGSBGED-WDEREUQCSA-N 0 0 216.288 2.198 10 30 BEEERN CCOC(=O)Cc1ccc(C=O)c(CC)c1C#N ZINC000575387542 386949752 /nfs/dbraw/zinc/94/97/52/386949752.db2.gz FFBHEHCIXZPISI-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)Cc1cc(C#N)c(OC)c(CC)c1 ZINC000575388169 386950873 /nfs/dbraw/zinc/95/08/73/386950873.db2.gz WWVNGGLZWFKKEL-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN 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387277428 /nfs/dbraw/zinc/27/74/28/387277428.db2.gz ZVCIFFUZRKKOPN-ZETCQYMHSA-N 0 0 230.130 2.404 10 30 BEEERN N#C[C@]1(N)CCc2ccc(Br)cc21 ZINC000260156806 387305567 /nfs/dbraw/zinc/30/55/67/387305567.db2.gz DNPFLBOJQASLCD-SNVBAGLBSA-N 0 0 237.100 2.073 10 30 BEEERN C=C1CN(c2ccc(Br)cc2N)C1 ZINC000575501901 387354609 /nfs/dbraw/zinc/35/46/09/387354609.db2.gz PAKVPFKSJZDKHS-UHFFFAOYSA-N 0 0 239.116 2.408 10 30 BEEERN Cc1c(O)c(C#N)ccc1Br ZINC000575693129 387384603 /nfs/dbraw/zinc/38/46/03/387384603.db2.gz VKXGANBPIVISSZ-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN Cc1ccc(C#N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575668334 387325499 /nfs/dbraw/zinc/32/54/99/387325499.db2.gz VFGDAPZTNCFBKN-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN CC(C)(C)OC(=O)N[C@]1(C#N)CC[C@@H]2C[C@@H]21 ZINC000575497491 387330925 /nfs/dbraw/zinc/33/09/25/387330925.db2.gz YFQRCTXSAJKSRH-PTRXPTGYSA-N 0 0 222.288 2.203 10 30 BEEERN CCOc1c(C#N)ccc(F)c1[N+](=O)[O-] ZINC000575670195 387331539 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216.162 2.059 10 30 BEEERN N#CCc1ccc([N+](=O)[O-])c(N)c1C(F)(F)F ZINC000575719934 387440049 /nfs/dbraw/zinc/44/00/49/387440049.db2.gz PGFKLOUUSBQYGO-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN CN1C[C@@](C#N)(NCc2ccccc2)CC1(C)C ZINC000575520832 387450336 /nfs/dbraw/zinc/45/03/36/387450336.db2.gz IIQVGEWZZMEWBO-OAHLLOKOSA-N 0 0 243.354 2.153 10 30 BEEERN O=C(/C=C/Cl)[C@@H]1CC12CCOCC2 ZINC000575521456 387452770 /nfs/dbraw/zinc/45/27/70/387452770.db2.gz WEDWGGCTVYISHG-WTJMVXMFSA-N 0 0 200.665 2.125 10 30 BEEERN CCOc1c([N+](=O)[O-])ccc(C)c1CC#N ZINC000575698741 387391295 /nfs/dbraw/zinc/39/12/95/387391295.db2.gz HYHSNRUZEWRHET-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN CCOc1c(C)cc(OC)cc1CC#N ZINC000575698128 387393176 /nfs/dbraw/zinc/39/31/76/387393176.db2.gz CTKGFPQRRANUAQ-UHFFFAOYSA-N 0 0 205.257 2.468 10 30 BEEERN CCc1cc(OC)cc(CC#N)c1OC ZINC000575694675 387394911 /nfs/dbraw/zinc/39/49/11/387394911.db2.gz ASNVCUSRYHYEOU-UHFFFAOYSA-N 0 0 205.257 2.332 10 30 BEEERN CCOc1cc(C)c(CC#N)c([N+](=O)[O-])c1 ZINC000575698660 387399347 /nfs/dbraw/zinc/39/93/47/387399347.db2.gz CNWOTJYYQJWUCE-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN CCC[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000613145714 387399710 /nfs/dbraw/zinc/39/97/10/387399710.db2.gz BQVHCYJSYHZWNF-AXFHLTTASA-N 0 0 223.320 2.166 10 30 BEEERN Cc1cc(CC#N)cc(N)c1Br ZINC000575714551 387415462 /nfs/dbraw/zinc/41/54/62/387415462.db2.gz LDAJKFGRHNMFKF-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN N#CCc1cc(N)cc(Br)c1F ZINC000575713728 387416885 /nfs/dbraw/zinc/41/68/85/387416885.db2.gz BDGIWXKAZYTTBS-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN Cc1cc(N)cc(CC#N)c1Br ZINC000575714163 387419521 /nfs/dbraw/zinc/41/95/21/387419521.db2.gz CMUHFVBUXNTTJN-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN CC(C)[C@H](C)NC(=O)c1cccc(F)c1C#N ZINC000186088170 387510177 /nfs/dbraw/zinc/51/01/77/387510177.db2.gz JUBSLFFLEPDZRI-VIFPVBQESA-N 0 0 234.274 2.472 10 30 BEEERN CN(C)/N=C/c1cccc(Br)c1O ZINC000306346289 387592019 /nfs/dbraw/zinc/59/20/19/387592019.db2.gz QZHPCAUJSNEUEY-IZZDOVSWSA-N 0 0 243.104 2.050 10 30 BEEERN CSCCC(=O)Nc1ccc(C#N)cc1 ZINC000037975229 387675069 /nfs/dbraw/zinc/67/50/69/387675069.db2.gz JPCNIWXQLBYYMH-UHFFFAOYSA-N 0 0 220.297 2.250 10 30 BEEERN N#CCc1cc(C#N)c(F)c(OC(F)F)c1 ZINC000575639141 387836261 /nfs/dbraw/zinc/83/62/61/387836261.db2.gz DKOSIUPOPDORKB-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN N#CCc1cc(C#N)cc(F)c1OC(F)F ZINC000575640554 387839929 /nfs/dbraw/zinc/83/99/29/387839929.db2.gz OWOFMJGZKXGZMJ-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN N#CCc1cc(OC(F)F)c(C#N)cc1F ZINC000575641478 387844671 /nfs/dbraw/zinc/84/46/71/387844671.db2.gz VQUBAJOJZSUKDK-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1O ZINC000061888721 387848666 /nfs/dbraw/zinc/84/86/66/387848666.db2.gz XTNGYYRKMKULCE-CMPLNLGQSA-N 0 0 244.294 2.123 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(O)c1 ZINC000061888727 387848752 /nfs/dbraw/zinc/84/87/52/387848752.db2.gz RJCLYROHRSSPHY-ZYHUDNBSSA-N 0 0 244.294 2.123 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1cccc(F)c1 ZINC000061888897 387848804 /nfs/dbraw/zinc/84/88/04/387848804.db2.gz YBZKSDOYHBYGMH-WCQYABFASA-N 0 0 246.285 2.177 10 30 BEEERN N#CCc1cc(C(F)F)cc(C#N)c1O ZINC000575643543 387867575 /nfs/dbraw/zinc/86/75/75/387867575.db2.gz RIEHIJHAOHFOLU-UHFFFAOYSA-N 0 0 208.167 2.268 10 30 BEEERN N#CCc1cc(F)ccc1OC(F)F ZINC000238527954 387872235 /nfs/dbraw/zinc/87/22/35/387872235.db2.gz CHORSYLHUPOWRO-UHFFFAOYSA-N 0 0 201.147 2.493 10 30 BEEERN CCc1cc(C#N)c(O)cc1OC(F)F ZINC000575654321 387897512 /nfs/dbraw/zinc/89/75/12/387897512.db2.gz YRHQLQJTFMIGEJ-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCc1cc(C#N)c(CC#N)c(OC)c1 ZINC000575644674 387876707 /nfs/dbraw/zinc/87/67/07/387876707.db2.gz ILMOKMGVXYULBE-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN CCOc1cc(OC)cc(CC#N)c1C#N ZINC000575647479 387882110 /nfs/dbraw/zinc/88/21/10/387882110.db2.gz KTJSXGOMIITKRN-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN CCc1cc(C#N)cc([N+](=O)[O-])c1CC#N ZINC000575647514 387883825 /nfs/dbraw/zinc/88/38/25/387883825.db2.gz LYWWDIURWZRCAK-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN CCOc1cc(C#N)c(C)c(CC#N)c1 ZINC000575649019 387886762 /nfs/dbraw/zinc/88/67/62/387886762.db2.gz NLTIPYFFIDGBCH-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN C#CC[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195336162 387917833 /nfs/dbraw/zinc/91/78/33/387917833.db2.gz RBBFPLNSSRSHIU-NSHDSACASA-N 0 0 220.341 2.264 10 30 BEEERN COc1ccc(OC(F)F)c(CC#N)c1OC ZINC000575652623 387902470 /nfs/dbraw/zinc/90/24/70/387902470.db2.gz IZIVCJRXQAAHGF-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN C=CCN1CCO[C@H](c2nc(C)cs2)C1 ZINC000195385792 387914264 /nfs/dbraw/zinc/91/42/64/387914264.db2.gz VPPZGQSJSXVCSC-JTQLQIEISA-N 0 0 224.329 2.011 10 30 BEEERN N#Cc1cc(OC(F)(F)F)ncc1CF ZINC000238695161 387932665 /nfs/dbraw/zinc/93/26/65/387932665.db2.gz GCQYAZSTVHMIDN-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1cc(CF)cnc1OC(F)(F)F ZINC000238694992 387932920 /nfs/dbraw/zinc/93/29/20/387932920.db2.gz MOKOHERVGBGMMJ-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN Cc1ccoc1CN[C@H]1CCC[C@H]1C#N ZINC000164661727 388242136 /nfs/dbraw/zinc/24/21/36/388242136.db2.gz IXDRPKQSIUZYIX-QWRGUYRKSA-N 0 0 204.273 2.370 10 30 BEEERN CC(C)[C@H](C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000251377686 388344530 /nfs/dbraw/zinc/34/45/30/388344530.db2.gz YNQGZYVYXRHZGZ-DCAQKATOSA-N 0 0 208.305 2.087 10 30 BEEERN CC[C@H](C)c1noc(-c2ccc(C#N)[nH]2)n1 ZINC000230995746 388376471 /nfs/dbraw/zinc/37/64/71/388376471.db2.gz IZTMTPLWXJSQAY-ZETCQYMHSA-N 0 0 216.244 2.450 10 30 BEEERN CC#CC[C@@H]([NH3+])c1ncccc1Br ZINC000133188652 388380213 /nfs/dbraw/zinc/38/02/13/388380213.db2.gz DHQJEIFIFUQZKM-SECBINFHSA-N 0 0 239.116 2.257 10 30 BEEERN CC#CC[C@H]([NH3+])c1ncccc1Br ZINC000133188470 388380329 /nfs/dbraw/zinc/38/03/29/388380329.db2.gz DHQJEIFIFUQZKM-VIFPVBQESA-N 0 0 239.116 2.257 10 30 BEEERN N#Cc1cnc(N2CC[C@H]3CCCC[C@@H]32)cn1 ZINC000134277690 388397397 /nfs/dbraw/zinc/39/73/97/388397397.db2.gz PUQQHTIDADTODI-PWSUYJOCSA-N 0 0 228.299 2.117 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1cccc(F)c1C#N ZINC000134382362 388398766 /nfs/dbraw/zinc/39/87/66/388398766.db2.gz AUPVVEAMBCYKNY-KCJUWKMLSA-N 0 0 220.247 2.287 10 30 BEEERN O=C1C=CC=CC1=C1Nc2ccccc2N1 ZINC000135854427 388449803 /nfs/dbraw/zinc/44/98/03/388449803.db2.gz IOJWAAXMYYMGMG-UHFFFAOYSA-N 0 0 210.236 2.431 10 30 BEEERN COC(=O)c1cc(C#N)cc(F)c1OC(F)F ZINC000575385715 388458053 /nfs/dbraw/zinc/45/80/53/388458053.db2.gz GTAXSCNDWNOHJO-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)c1ccc(OC(F)F)c(C#N)c1F ZINC000575385813 388458632 /nfs/dbraw/zinc/45/86/32/388458632.db2.gz NAAGGMKWXZWPGK-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN CCOC(=O)c1c(C=O)ccc(C#N)c1CC ZINC000575387528 388463243 /nfs/dbraw/zinc/46/32/43/388463243.db2.gz CDJRVVMRPYMGNA-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130683155 388474091 /nfs/dbraw/zinc/47/40/91/388474091.db2.gz WZWPREAGUXTQAC-WPRPVWTQSA-N 0 0 247.254 2.056 10 30 BEEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1F ZINC000575389269 388480164 /nfs/dbraw/zinc/48/01/64/388480164.db2.gz DQRZBLFVNGSVOB-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1nc2ccccn2c1C#N ZINC000272917846 388531130 /nfs/dbraw/zinc/53/11/30/388531130.db2.gz PSKWXOWABYKLAK-BDAKNGLRSA-N 0 0 212.256 2.026 10 30 BEEERN CCC(C#N)(CC)C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000528624706 388553252 /nfs/dbraw/zinc/55/32/52/388553252.db2.gz LDJYXFYYUIZWEC-QWRGUYRKSA-N 0 0 220.316 2.327 10 30 BEEERN C[C@@H]1SCC[C@@]1(O)c1ccc(C#N)cc1 ZINC000521401167 388672273 /nfs/dbraw/zinc/67/22/73/388672273.db2.gz GIHQSMBRHPRBIZ-CABZTGNLSA-N 0 0 219.309 2.271 10 30 BEEERN N#Cc1ccc2nnn(Cc3ccccc3)c2c1 ZINC000575441850 388634371 /nfs/dbraw/zinc/63/43/71/388634371.db2.gz DDZNPHWOCVILJP-UHFFFAOYSA-N 0 0 234.262 2.351 10 30 BEEERN CCOC(=O)c1[nH]c(C)c(C(C)=NO)c1C ZINC000254304511 388639297 /nfs/dbraw/zinc/63/92/97/388639297.db2.gz GVTLKBLWKJUIQO-UHFFFAOYSA-N 0 0 224.260 2.006 10 30 BEEERN N#Cc1ccc(-c2nc([C@@H]3CC34CC4)no2)nc1 ZINC000516556083 388659254 /nfs/dbraw/zinc/65/92/54/388659254.db2.gz BLHLSEWDLKEPLK-VIFPVBQESA-N 0 0 238.250 2.271 10 30 BEEERN CC(C)CCSc1cnc(C#N)cn1 ZINC000125885202 388810990 /nfs/dbraw/zinc/81/09/90/388810990.db2.gz IZXQUTKHYNCKRM-UHFFFAOYSA-N 0 0 207.302 2.486 10 30 BEEERN COC(=O)c1cc(C(F)F)cc(C#N)c1OC ZINC000575343580 388811380 /nfs/dbraw/zinc/81/13/80/388811380.db2.gz LHGUUNUJGWYSGA-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN CCCC=NNS(=O)(=O)c1ccc(C)cc1 ZINC000254489037 388785153 /nfs/dbraw/zinc/78/51/53/388785153.db2.gz VRLJPVIFJPADLT-UHFFFAOYSA-N 0 0 240.328 2.059 10 30 BEEERN COC(=O)c1ccc(C#N)cc1OC(F)(F)F ZINC000575345086 388844397 /nfs/dbraw/zinc/84/43/97/388844397.db2.gz VVQMAXXNEMBUEL-UHFFFAOYSA-N 0 0 245.156 2.243 10 30 BEEERN CC(=O)/C(C)=C/c1cc(Br)nn1C ZINC000575501525 388990396 /nfs/dbraw/zinc/99/03/96/388990396.db2.gz AESQBLAPUMYOLD-GQCTYLIASA-N 0 0 243.104 2.175 10 30 BEEERN C#C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000575514086 389034751 /nfs/dbraw/zinc/03/47/51/389034751.db2.gz QGGNAXDQGIXXNT-QMMMGPOBSA-N 0 0 216.067 2.242 10 30 BEEERN C#C[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000248507950 533295379 /nfs/dbraw/zinc/29/53/79/533295379.db2.gz ZFAZXSCDIIYWAJ-WCFLWFBJSA-N 0 0 219.328 2.341 10 30 BEEERN C#C[C@H](C)NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000248473962 533295515 /nfs/dbraw/zinc/29/55/15/533295515.db2.gz LLOHNJBFGJGCDC-PJODQICGSA-N 0 0 239.318 2.028 10 30 BEEERN N#Cc1c(F)cccc1N1CC[C@H]2OCC[C@H]2C1 ZINC000376045183 132288426 /nfs/dbraw/zinc/28/84/26/132288426.db2.gz VXGDHNOEGMMYKE-IINYFYTJSA-N 0 0 246.285 2.313 10 30 BEEERN N#Cc1cccc(N2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000227168297 132291898 /nfs/dbraw/zinc/29/18/98/132291898.db2.gz KSCAARBHDLDRBN-CHWSQXEVSA-N 0 0 243.310 2.101 10 30 BEEERN N#CCCCN1C(=O)CCc2ccccc21 ZINC000019435644 132325216 /nfs/dbraw/zinc/32/52/16/132325216.db2.gz KALCIYLWCFVIGP-UHFFFAOYSA-N 0 0 214.268 2.270 10 30 BEEERN Cc1cccc(N2CCN(C[C@@H](C)C#N)CC2)c1 ZINC000031945833 132334676 /nfs/dbraw/zinc/33/46/76/132334676.db2.gz QMIRBXNURUJNEB-AWEZNQCLSA-N 0 0 243.354 2.277 10 30 BEEERN C[C@H](C#N)CN1CCN(c2ccc(F)cc2)CC1 ZINC000031945822 132334746 /nfs/dbraw/zinc/33/47/46/132334746.db2.gz MUGSFSHJHBWNOL-GFCCVEGCSA-N 0 0 247.317 2.107 10 30 BEEERN C[C@@H]1C[C@@H](C)CN(c2ncc(N)cc2C#N)C1 ZINC000037758806 132345510 /nfs/dbraw/zinc/34/55/10/132345510.db2.gz JHNKIPWZCRYKJQ-NXEZZACHSA-N 0 0 230.315 2.018 10 30 BEEERN Cc1ccc(/C(N)=N/O)c(N2CCC(C)CC2)c1 ZINC000051578749 132361184 /nfs/dbraw/zinc/36/11/84/132361184.db2.gz XEWWUZBIVIHWKV-UHFFFAOYSA-N 0 0 247.342 2.326 10 30 BEEERN Cc1ccc(C#N)c(N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000051597011 132361547 /nfs/dbraw/zinc/36/15/47/132361547.db2.gz RJXKDKAHTXKKPK-VXGBXAGGSA-N 0 0 230.311 2.480 10 30 BEEERN C[C@@H](C#N)N1CCO[C@H](C2CCCCC2)C1 ZINC000334503630 133658789 /nfs/dbraw/zinc/65/87/89/133658789.db2.gz UICNPPVSAHULOY-AAEUAGOBSA-N 0 0 222.332 2.180 10 30 BEEERN Cc1nc(N2C[C@H]3CCC[C@H]32)ccc1C#N ZINC000335855324 133939457 /nfs/dbraw/zinc/93/94/57/133939457.db2.gz WMUSLKIVYVLHTB-VXGBXAGGSA-N 0 0 213.284 2.250 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccnc(C)n1 ZINC000330166456 133997647 /nfs/dbraw/zinc/99/76/47/133997647.db2.gz YBFBEGWBVLVFNX-ZJUUUORDSA-N 0 0 234.303 2.300 10 30 BEEERN CC1(C)CCCN(C[C@@H]2CCCO2)[C@@H]1C#N ZINC000336341711 134144135 /nfs/dbraw/zinc/14/41/35/134144135.db2.gz VTHKGCOTEHWRHE-NWDGAFQWSA-N 0 0 222.332 2.180 10 30 BEEERN CC(C)(C(=O)N[C@H]1CCC[C@@H]1C#N)C(F)F ZINC000336624977 134152033 /nfs/dbraw/zinc/15/20/33/134152033.db2.gz OGARGOGWJQTSBG-SFYZADRCSA-N 0 0 230.258 2.086 10 30 BEEERN C=CCNC(=O)N1CCC[C@H](CC)CC1 ZINC000117466989 134221191 /nfs/dbraw/zinc/22/11/91/134221191.db2.gz MPPRDQUQWZGVEK-NSHDSACASA-N 0 0 210.321 2.394 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC[C@H]1C ZINC000300240554 134228201 /nfs/dbraw/zinc/22/82/01/134228201.db2.gz PTLLORXVGIXRNV-UTUOFQBUSA-N 0 0 222.332 2.431 10 30 BEEERN Cc1ccc2c(c1)[C@@H](NC(=O)CC#N)[C@@H](C)C2 ZINC000120111374 134228477 /nfs/dbraw/zinc/22/84/77/134228477.db2.gz YOWDOUCADAOWPW-HZMBPMFUSA-N 0 0 228.295 2.258 10 30 BEEERN C=CCCS(=O)(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000121127585 134231727 /nfs/dbraw/zinc/23/17/27/134231727.db2.gz LEJKKZSTISOJGA-QWRGUYRKSA-N 0 0 231.361 2.013 10 30 BEEERN Cc1ccc([C@H](C)NC(=O)c2cc(C#N)c[nH]2)o1 ZINC000175170564 134285686 /nfs/dbraw/zinc/28/56/86/134285686.db2.gz OYRGNDLSZVMDQE-VIFPVBQESA-N 0 0 243.266 2.279 10 30 BEEERN C[C@@H](C#N)NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000181202249 134333923 /nfs/dbraw/zinc/33/39/23/134333923.db2.gz UQGZPAVJSWATEU-GARJFASQSA-N 0 0 222.332 2.477 10 30 BEEERN C[C@H](C#N)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000182006415 134341018 /nfs/dbraw/zinc/34/10/18/134341018.db2.gz XPFJOAHFPFRKJD-TZMCWYRMSA-N 0 0 230.311 2.146 10 30 BEEERN C[C@H](C#N)N1CCOC2(C1)CCCCCC2 ZINC000182020937 134341262 /nfs/dbraw/zinc/34/12/62/134341262.db2.gz IAXHVUXVRIKGDK-GFCCVEGCSA-N 0 0 222.332 2.324 10 30 BEEERN C[C@@H](C#N)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000182246902 134343325 /nfs/dbraw/zinc/34/33/25/134343325.db2.gz SJJPVIKONPXQIS-SWLSCSKDSA-N 0 0 242.322 2.072 10 30 BEEERN C[C@@H](C#N)N1CCc2c3ccccc3[nH]c2C1 ZINC000182265243 134343370 /nfs/dbraw/zinc/34/33/70/134343370.db2.gz RUXYEYBJZSHNNL-JTQLQIEISA-N 0 0 225.295 2.438 10 30 BEEERN C[C@H](C#N)N1CCc2c3ccccc3[nH]c2C1 ZINC000182265264 134343729 /nfs/dbraw/zinc/34/37/29/134343729.db2.gz RUXYEYBJZSHNNL-SNVBAGLBSA-N 0 0 225.295 2.438 10 30 BEEERN Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C#N)s1 ZINC000225124117 134350920 /nfs/dbraw/zinc/35/09/20/134350920.db2.gz TZKVKOHEBUVQCF-NXEZZACHSA-N 0 0 249.339 2.182 10 30 BEEERN CC#CCNc1ccc2c(c1)C(=O)CCO2 ZINC000309331889 134391854 /nfs/dbraw/zinc/39/18/54/134391854.db2.gz HYIQXGKADBVOIA-UHFFFAOYSA-N 0 0 215.252 2.087 10 30 BEEERN CC[C@H](C#N)NC(=O)Cc1ccc(C)s1 ZINC000102352225 134476478 /nfs/dbraw/zinc/47/64/78/134476478.db2.gz KGNJMOJQDFAOIV-SECBINFHSA-N 0 0 222.313 2.017 10 30 BEEERN C[C@@H]1CCC[C@H]1C(=O)NC1(C#N)CCCC1 ZINC000230044537 134478583 /nfs/dbraw/zinc/47/85/83/134478583.db2.gz BQTZHKZYRXSTAC-GHMZBOCLSA-N 0 0 220.316 2.375 10 30 BEEERN C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cn1 ZINC000230057699 134479919 /nfs/dbraw/zinc/47/99/19/134479919.db2.gz LUMISOJPJGQSDM-MWLCHTKSSA-N 0 0 229.283 2.328 10 30 BEEERN CC(C)(C)Cc1noc(CSCC#N)n1 ZINC000230998310 134537370 /nfs/dbraw/zinc/53/73/70/134537370.db2.gz BABCWYZCVSBQGG-UHFFFAOYSA-N 0 0 225.317 2.415 10 30 BEEERN CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000231744835 134543868 /nfs/dbraw/zinc/54/38/68/134543868.db2.gz YWKWLAFVNPSYFT-JOYOIKCWSA-N 0 0 235.287 2.100 10 30 BEEERN CN(Cc1ccc(F)cc1)C(=O)C(C)(C)C#N ZINC000044351151 134609343 /nfs/dbraw/zinc/60/93/43/134609343.db2.gz SJLUEGFHHNFXTO-UHFFFAOYSA-N 0 0 234.274 2.334 10 30 BEEERN C[C@H]1C[C@@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000131187496 134627457 /nfs/dbraw/zinc/62/74/57/134627457.db2.gz NNXICJOPGJQZJP-XVKPBYJWSA-N 0 0 217.228 2.287 10 30 BEEERN CC(C)[C@H](C)NC=C1C(=O)CC(C)(C)CC1=O ZINC000121021169 134640949 /nfs/dbraw/zinc/64/09/49/134640949.db2.gz FQYZXCUVNGFBTH-JTQLQIEISA-N 0 0 237.343 2.463 10 30 BEEERN C=C(Br)CN1CCO[C@@H]2CCC[C@H]21 ZINC000306163135 134691855 /nfs/dbraw/zinc/69/18/55/134691855.db2.gz QZTPMUUCHCSBEE-NXEZZACHSA-N 0 0 246.148 2.148 10 30 BEEERN N#CCc1ccc(NCc2cncnc2)cc1 ZINC000054767614 134770541 /nfs/dbraw/zinc/77/05/41/134770541.db2.gz GVYOHYCNDMPHOC-UHFFFAOYSA-N 0 0 224.267 2.155 10 30 BEEERN Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061889130 134804374 /nfs/dbraw/zinc/80/43/74/134804374.db2.gz CBGQCDOWTHMGOK-STQMWFEESA-N 0 0 228.295 2.417 10 30 BEEERN COc1cccc2c1CCN([C@@H](C)C#N)CC2 ZINC000193705800 134813797 /nfs/dbraw/zinc/81/37/97/134813797.db2.gz ODBAEVBRTXSUQU-NSHDSACASA-N 0 0 230.311 2.008 10 30 BEEERN C=CCNC(=O)N1CCCC[C@@H](SCC)C1 ZINC000112130427 135026143 /nfs/dbraw/zinc/02/61/43/135026143.db2.gz ARQGIXNIFLNHLO-LLVKDONJSA-N 0 0 242.388 2.490 10 30 BEEERN Cc1ccncc1-c1noc(CSCC#N)n1 ZINC000235779200 135050007 /nfs/dbraw/zinc/05/00/07/135050007.db2.gz BJVLSDHNMVZPAH-UHFFFAOYSA-N 0 0 246.295 2.197 10 30 BEEERN O=C(N[C@@H]1CCCC[C@@H]1O)C1CCC(=O)CC1 ZINC000328799524 135466451 /nfs/dbraw/zinc/46/64/51/135466451.db2.gz HHPSZMZMIZCYOT-NEPJUHHUSA-N 0 0 239.315 2.006 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCCCCC1 ZINC000091971277 135489849 /nfs/dbraw/zinc/48/98/49/135489849.db2.gz CYSBFHBBMQYYNW-NEPJUHHUSA-N 0 0 235.331 2.264 10 30 BEEERN Cc1cc(N[C@H]2C[C@@H]2C)c(C#N)c(C)n1 ZINC000087975098 135514507 /nfs/dbraw/zinc/51/45/07/135514507.db2.gz QCZRFLILNFFKLY-CPCISQLKSA-N 0 0 201.273 2.390 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)s1 ZINC000061888952 135563498 /nfs/dbraw/zinc/56/34/98/135563498.db2.gz QRAYVRNSRQNZRY-ZJUUUORDSA-N 0 0 234.324 2.479 10 30 BEEERN CC1=CCCN(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000335215318 135959010 /nfs/dbraw/zinc/95/90/10/135959010.db2.gz OFOHFIAGNMNTHX-NEPJUHHUSA-N 0 0 233.315 2.040 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC000335548235 136097463 /nfs/dbraw/zinc/09/74/63/136097463.db2.gz NELGPAXKZMNFDP-CMPLNLGQSA-N 0 0 232.327 2.375 10 30 BEEERN C=CCN[C@@H](C(=O)OC)c1ccc(Cl)cc1 ZINC000051961132 397735824 /nfs/dbraw/zinc/73/58/24/397735824.db2.gz GIBOFTKKRCBGCO-LLVKDONJSA-N 0 0 239.702 2.330 10 30 BEEERN CC(=O)Nc1ccc(NC(=O)[C@@H](C)CC#N)cc1 ZINC000049832168 397920732 /nfs/dbraw/zinc/92/07/32/397920732.db2.gz UJSYZDMUIOUDDI-VIFPVBQESA-N 0 0 245.282 2.133 10 30 BEEERN COC(=O)c1cncc(C#C[Si](C)(C)C)c1 ZINC000199684487 398044163 /nfs/dbraw/zinc/04/41/63/398044163.db2.gz FWGPCMGHQMJGRR-UHFFFAOYSA-N 0 0 233.343 2.097 10 30 BEEERN C=CCCCC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000175566227 398044969 /nfs/dbraw/zinc/04/49/69/398044969.db2.gz RUUIPQBQBWLSOU-CYBMUJFWSA-N 0 0 247.342 2.440 10 30 BEEERN O=C(c1ccoc1)N(O)c1ccccc1 ZINC000205300471 397998957 /nfs/dbraw/zinc/99/89/57/397998957.db2.gz VJWPGSXHMNGWRY-UHFFFAOYSA-N 0 0 203.197 2.316 10 30 BEEERN C#CC1(Oc2nc(Br)cs2)CC1 ZINC000575599988 398019611 /nfs/dbraw/zinc/01/96/11/398019611.db2.gz AQINZQQRAIOUAR-UHFFFAOYSA-N 0 0 244.113 2.450 10 30 BEEERN CCOC(=O)/C(=C/N(C)C)c1cccc(C#N)c1 ZINC000584645965 398085796 /nfs/dbraw/zinc/08/57/96/398085796.db2.gz HSCGGYRAILCEIG-JLHYYAGUSA-N 0 0 244.294 2.024 10 30 BEEERN CC(C)(C=O)C[S@@](=O)c1ccccc1 ZINC000584646639 398086493 /nfs/dbraw/zinc/08/64/93/398086493.db2.gz YBTMJOZFEIOUDS-CQSZACIVSA-N 0 0 210.298 2.019 10 30 BEEERN CNc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061890826 398107931 /nfs/dbraw/zinc/10/79/31/398107931.db2.gz UTFUJLDHDPDUAK-ZYHUDNBSSA-N 0 0 243.310 2.150 10 30 BEEERN CCCCSc1nc(N)c(C#N)s1 ZINC000198737777 398119198 /nfs/dbraw/zinc/11/91/98/398119198.db2.gz RMIKFIAZPOJAGR-UHFFFAOYSA-N 0 0 213.331 2.489 10 30 BEEERN CC(C)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130645778 167141658 /nfs/dbraw/zinc/14/16/58/167141658.db2.gz LGENXGNXEPBQAC-UHFFFAOYSA-N 0 0 205.217 2.287 10 30 BEEERN CC(C)N[C@](C)(C#N)CN1CCC[C@H](C)[C@H]1C ZINC000050567075 167142616 /nfs/dbraw/zinc/14/26/16/167142616.db2.gz HMOUBQDEHZOOLI-BFHYXJOUSA-N 0 0 237.391 2.387 10 30 BEEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCCC(C)(C)CC1 ZINC000300937037 487558673 /nfs/dbraw/zinc/55/86/73/487558673.db2.gz CVDFBZHNHWPJQP-JTQLQIEISA-N 0 0 211.305 2.138 10 30 BEEERN CC(C)Oc1c(C#N)nccc1OC1CC1 ZINC000095720298 167284935 /nfs/dbraw/zinc/28/49/35/167284935.db2.gz GTCMSUYENZGESR-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN C#CCCC(=O)N(C)Cc1ccccc1 ZINC000075421366 166118323 /nfs/dbraw/zinc/11/83/23/166118323.db2.gz JTQOTHGTXBAKOE-UHFFFAOYSA-N 0 0 201.269 2.058 10 30 BEEERN C#CCN[C@@](CC)(C[C@@H](C)CC)C(=O)OCC ZINC000051965306 166190772 /nfs/dbraw/zinc/19/07/72/166190772.db2.gz VVHMRMBLDPVXSE-JSGCOSHPSA-N 0 0 239.359 2.357 10 30 BEEERN C#CC[NH2+][C@](CC(C)C)(C(=O)[O-])c1ccccc1 ZINC000041730676 166191974 /nfs/dbraw/zinc/19/19/74/166191974.db2.gz LQPXWHNBIYNNIY-HNNXBMFYSA-N 0 0 245.322 2.235 10 30 BEEERN C#CCNc1c(C#N)cnc2ccccc21 ZINC000036913266 166193870 /nfs/dbraw/zinc/19/38/70/166193870.db2.gz NAISVDWTYUIYOL-UHFFFAOYSA-N 0 0 207.236 2.152 10 30 BEEERN C#CC[C@H](C)C(=O)OCc1ccccc1 ZINC000075421398 166205135 /nfs/dbraw/zinc/20/51/35/166205135.db2.gz QFVBSZOGLIXGKK-NSHDSACASA-N 0 0 202.253 2.389 10 30 BEEERN C#Cc1cccc(NC[C@@H]2CCCO2)c1 ZINC000020034388 166223503 /nfs/dbraw/zinc/22/35/03/166223503.db2.gz ZRIWNFMIJXXKCB-ZDUSSCGKSA-N 0 0 201.269 2.259 10 30 BEEERN C=CCN(C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000153840166 166316722 /nfs/dbraw/zinc/31/67/22/166316722.db2.gz QESBSPJALXWWJK-JTQLQIEISA-N 0 0 222.288 2.476 10 30 BEEERN C=CCN(CC=C)C(=O)Cc1cccc(N)c1 ZINC000041139376 166327618 /nfs/dbraw/zinc/32/76/18/166327618.db2.gz QZVKVKFJLAAKSD-UHFFFAOYSA-N 0 0 230.311 2.012 10 30 BEEERN C=CCN(CC=C)c1nc2sccn2c1C=O ZINC000035428347 166338927 /nfs/dbraw/zinc/33/89/27/166338927.db2.gz WNZFLDYSLMHOGF-UHFFFAOYSA-N 0 0 247.323 2.387 10 30 BEEERN C=CCN1CCC=C(c2csc(N)n2)C1 ZINC000013208878 166353149 /nfs/dbraw/zinc/35/31/49/166353149.db2.gz JMEQXIANNKFBTB-UHFFFAOYSA-N 0 0 221.329 2.000 10 30 BEEERN C=CCNC(=O)[C@H](C)Nc1cc(C)ccc1F ZINC000020360174 166388874 /nfs/dbraw/zinc/38/88/74/166388874.db2.gz WBQFRSJLDHDAMC-JTQLQIEISA-N 0 0 236.290 2.237 10 30 BEEERN C=CCNC(=O)c1cc2c(cccc2F)n1C ZINC000040788328 166391536 /nfs/dbraw/zinc/39/15/36/166391536.db2.gz DSMLZCGKZGWKJW-UHFFFAOYSA-N 0 0 232.258 2.233 10 30 BEEERN C=CC[NH2+][C@@]1(C(=O)[O-])C[C@@H](C)CC(C)(C)C1 ZINC000041732085 166405760 /nfs/dbraw/zinc/40/57/60/166405760.db2.gz XZVLENWEFORXMF-GWCFXTLKSA-N 0 0 225.332 2.432 10 30 BEEERN CC(C)(C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302682598 166640094 /nfs/dbraw/zinc/64/00/94/166640094.db2.gz AGLWLRFSSLBNNZ-UHFFFAOYSA-N 0 0 220.232 2.072 10 30 BEEERN CC(C)N[C@@H](C#N)CCN1CCc2ccccc21 ZINC000062368381 167130802 /nfs/dbraw/zinc/13/08/02/167130802.db2.gz VPYCEVXUJWINEJ-CQSZACIVSA-N 0 0 243.354 2.329 10 30 BEEERN CC(C)Nc1nc2c(cc1C#N)CCC2 ZINC000042244249 167149397 /nfs/dbraw/zinc/14/93/97/167149397.db2.gz IZVROBGHTFYQMC-UHFFFAOYSA-N 0 0 201.273 2.262 10 30 BEEERN CC(C)Oc1cc(C#N)ncc1OC1CC1 ZINC000095736518 167284863 /nfs/dbraw/zinc/28/48/63/167284863.db2.gz WTIZECFIRKMLRT-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)Oc1ccc([C@H](C#N)NCCCO)cc1 ZINC000020176509 167301335 /nfs/dbraw/zinc/30/13/35/167301335.db2.gz BIIFVOONNQLRPZ-AWEZNQCLSA-N 0 0 248.326 2.010 10 30 BEEERN CC(C)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000048935840 167387610 /nfs/dbraw/zinc/38/76/10/167387610.db2.gz QHPGVIKSYLUZNY-MRVPVSSYSA-N 0 0 234.259 2.318 10 30 BEEERN C=CC1CC[NH+](Cc2ncccc2C(=O)[O-])CC1 ZINC000652412606 411233633 /nfs/dbraw/zinc/23/36/33/411233633.db2.gz BLBGFXOMFVZKTD-UHFFFAOYSA-N 0 0 246.310 2.178 10 30 BEEERN CC1([C@@H](CC#N)c2ccccc2)OCCO1 ZINC000021990337 168071924 /nfs/dbraw/zinc/07/19/24/168071924.db2.gz YTNABWMDRRJMJC-LBPRGKRZSA-N 0 0 217.268 2.447 10 30 BEEERN Cc1cccc(NC=C2C(=O)C=C(C)OC2=O)c1 ZINC000100111675 168090632 /nfs/dbraw/zinc/09/06/32/168090632.db2.gz IOIMHJGXAGDBNG-XYOKQWHBSA-N 0 0 243.262 2.321 10 30 BEEERN CC1=CC(=O)c2c3ccccc3[nH]c2C1=O ZINC000028817241 168092385 /nfs/dbraw/zinc/09/23/85/168092385.db2.gz RUWXEFBHSZLJDZ-UHFFFAOYSA-N 0 0 211.220 2.493 10 30 BEEERN CC1=C[C@@H](c2ccccc2)[C@@H](C#N)C(=O)O1 ZINC000075622526 168126941 /nfs/dbraw/zinc/12/69/41/168126941.db2.gz KPBCDXHDVWZYTE-NWDGAFQWSA-N 0 0 213.236 2.371 10 30 BEEERN CC1CCC(OCCC/C(N)=N/O)CC1 ZINC000019502782 168168094 /nfs/dbraw/zinc/16/80/94/168168094.db2.gz BXWAJFNMIYLIGG-UHFFFAOYSA-N 0 0 214.309 2.108 10 30 BEEERN CCC(=O)N[C@H](C)c1cccc(C#CCCO)c1 ZINC000049589638 168238640 /nfs/dbraw/zinc/23/86/40/168238640.db2.gz WZAJYXCVJZDKDV-GFCCVEGCSA-N 0 0 245.322 2.008 10 30 BEEERN CCC(=O)[C@H](C#N)c1ccc(OC)c(OC)c1 ZINC000036931126 168252922 /nfs/dbraw/zinc/25/29/22/168252922.db2.gz ZLWTZLGNRONHHR-SNVBAGLBSA-N 0 0 233.267 2.290 10 30 BEEERN CCC(C#N)(CC)C(=O)Nc1cc(C)no1 ZINC000044764628 168260181 /nfs/dbraw/zinc/26/01/81/168260181.db2.gz RXHPBKDCFRZTMV-UHFFFAOYSA-N 0 0 221.260 2.252 10 30 BEEERN CCC(C)(C)N=C(NC#N)Nc1ccncc1 ZINC000013232566 168260246 /nfs/dbraw/zinc/26/02/46/168260246.db2.gz YCIUNWKLRAIFJN-UHFFFAOYSA-N 0 0 231.303 2.109 10 30 BEEERN CCC(C#N)(CC)NC(=O)COc1ccccc1 ZINC000040359457 168260969 /nfs/dbraw/zinc/26/09/69/168260969.db2.gz VRRWUKFXYVSDAF-UHFFFAOYSA-N 0 0 246.310 2.264 10 30 BEEERN CCC(C)(C)C(=O)NC1(C#N)CCCC1 ZINC000054403102 168263321 /nfs/dbraw/zinc/26/33/21/168263321.db2.gz JMAGZSWVUAAKCE-UHFFFAOYSA-N 0 0 208.305 2.375 10 30 BEEERN Cc1cnn(CCNc2cccc(F)c2C#N)c1 ZINC000105793956 411509311 /nfs/dbraw/zinc/50/93/11/411509311.db2.gz HITSGWXWHAQIEC-UHFFFAOYSA-N 0 0 244.273 2.314 10 30 BEEERN CCN[C@@H](C#N)CCOc1ccc(F)c(F)c1 ZINC000062448005 170138117 /nfs/dbraw/zinc/13/81/17/170138117.db2.gz QORMNLKSYILFCW-SECBINFHSA-N 0 0 240.253 2.235 10 30 BEEERN CCN[C@@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000037902544 170155320 /nfs/dbraw/zinc/15/53/20/170155320.db2.gz BVYKPRLDPTWSGR-ZDUSSCGKSA-N 0 0 217.316 2.101 10 30 BEEERN CCN[C@H](C#N)CCOc1ccc(F)c(F)c1 ZINC000062448004 170155668 /nfs/dbraw/zinc/15/56/68/170155668.db2.gz QORMNLKSYILFCW-VIFPVBQESA-N 0 0 240.253 2.235 10 30 BEEERN CCN[C@H](C#N)c1cccc(OCC)c1 ZINC000020174895 170156426 /nfs/dbraw/zinc/15/64/26/170156426.db2.gz LOBOJTLFQKZTTO-GFCCVEGCSA-N 0 0 204.273 2.259 10 30 BEEERN CCN[C@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000037902545 170170188 /nfs/dbraw/zinc/17/01/88/170170188.db2.gz BVYKPRLDPTWSGR-CYBMUJFWSA-N 0 0 217.316 2.101 10 30 BEEERN CCN[C@](C)(C#N)COc1cc(F)ccc1F ZINC000071168362 170170428 /nfs/dbraw/zinc/17/04/28/170170428.db2.gz CKTCCBPMEHHAJD-GFCCVEGCSA-N 0 0 240.253 2.235 10 30 BEEERN CCNc1cc(-c2ccc(C#N)cc2)[nH]n1 ZINC000062667818 170171562 /nfs/dbraw/zinc/17/15/62/170171562.db2.gz LDVAFWWBRLNGNJ-UHFFFAOYSA-N 0 0 212.256 2.380 10 30 BEEERN CCOC(=O)[C@@H](C)Oc1ccc(C#N)c(F)c1 ZINC000075881836 170248428 /nfs/dbraw/zinc/24/84/28/170248428.db2.gz BCJCNTAZSKLUSS-MRVPVSSYSA-N 0 0 237.230 2.028 10 30 BEEERN CCOC(=O)[C@H](C#N)Cc1ccc(C)cc1 ZINC000038952560 170263571 /nfs/dbraw/zinc/26/35/71/170263571.db2.gz SVNIJQMOQMREPS-LBPRGKRZSA-N 0 0 217.268 2.240 10 30 BEEERN CCOC(=O)[C@H](C)CN(C)c1cccc(C#N)c1 ZINC000061953957 170264266 /nfs/dbraw/zinc/26/42/66/170264266.db2.gz YQWHITYXWNACHJ-LLVKDONJSA-N 0 0 246.310 2.194 10 30 BEEERN CCOC(=O)c1cc(C#N)c(Cl)nc1CC ZINC000090415807 170290780 /nfs/dbraw/zinc/29/07/80/170290780.db2.gz IFSOLLFFMRIWBX-UHFFFAOYSA-N 0 0 238.674 2.346 10 30 BEEERN CCOC1=CC(=O)[C@H](c2ccncc2)CC1 ZINC000039100337 170320691 /nfs/dbraw/zinc/32/06/91/170320691.db2.gz VCZKOXKYADBRFK-LBPRGKRZSA-N 0 0 217.268 2.449 10 30 BEEERN CCOC1=NC(=Cc2ccccc2)C(O)=C1 ZINC000039100179 170320901 /nfs/dbraw/zinc/32/09/01/170320901.db2.gz VQGQNNYISHXVMY-DHZHZOJOSA-N 0 0 215.252 2.435 10 30 BEEERN CCOCCC(=O)[C@H](C#N)c1ccccc1F ZINC000049671705 170363732 /nfs/dbraw/zinc/36/37/32/170363732.db2.gz QIWLAMBFLYIRFF-LLVKDONJSA-N 0 0 235.258 2.429 10 30 BEEERN CCOP(=O)(OCC)c1cccc(C#N)c1 ZINC000021986972 170470496 /nfs/dbraw/zinc/47/04/96/170470496.db2.gz LMXYZOINURSLPF-UHFFFAOYSA-N 0 0 239.211 2.450 10 30 BEEERN CCSCc1ccc(/C(N)=N/O)cc1 ZINC000019870310 170644630 /nfs/dbraw/zinc/64/46/30/170644630.db2.gz UOYLHCBIEATDCK-UHFFFAOYSA-N 0 0 210.302 2.034 10 30 BEEERN CCS[C@@H]1CCC[C@@H]1Nc1cnc(C#N)cn1 ZINC000126296679 170648883 /nfs/dbraw/zinc/64/88/83/170648883.db2.gz NTXOEFSYGUNTNS-WDEREUQCSA-N 0 0 248.355 2.434 10 30 BEEERN CC[C@H](C#N)C(=O)N(C)Cc1ccc(C)o1 ZINC000044822830 171218728 /nfs/dbraw/zinc/21/87/28/171218728.db2.gz ASSIQODQAZDXMK-SNVBAGLBSA-N 0 0 220.272 2.096 10 30 BEEERN CC[C@H](C#N)Sc1sc(N)nc1C ZINC000043542927 171221068 /nfs/dbraw/zinc/22/10/68/171221068.db2.gz WYFGCZWWWRZRQH-ZCFIWIBFSA-N 0 0 213.331 2.428 10 30 BEEERN CC[C@H](C)CN(C)c1c(C#N)c(C)nn1C ZINC000104325554 171275370 /nfs/dbraw/zinc/27/53/70/171275370.db2.gz USSHNYGPCNGQRJ-VIFPVBQESA-N 0 0 220.320 2.083 10 30 BEEERN CC[C@H](C)N(C)c1nnc(C)c(C)c1C#N ZINC000040290848 171311156 /nfs/dbraw/zinc/31/11/56/171311156.db2.gz FLVJZIWHYNRTDE-QMMMGPOBSA-N 0 0 218.304 2.200 10 30 BEEERN CC[C@H](C)[C@@H](C#N)NC(=O)OC(C)(C)C ZINC000039093712 171358370 /nfs/dbraw/zinc/35/83/70/171358370.db2.gz FZTVKXQXWQJUTR-DTWKUNHWSA-N 0 0 212.293 2.449 10 30 BEEERN CCc1ccc(C(=O)N(C)[C@H](C)C#N)s1 ZINC000044411076 171783124 /nfs/dbraw/zinc/78/31/24/171783124.db2.gz PQGPCXZNAWLVNL-MRVPVSSYSA-N 0 0 222.313 2.295 10 30 BEEERN CCc1nnc(N[C@@H]2C[C@H]2C)c(C#N)c1CC ZINC000123329187 172059883 /nfs/dbraw/zinc/05/98/83/172059883.db2.gz ZPZHLYZFDDESFN-PRHODGIISA-N 0 0 230.315 2.293 10 30 BEEERN CCc1nnc(N[C@@H]2C[C@@H]2C)c(C#N)c1CC ZINC000123328797 172060835 /nfs/dbraw/zinc/06/08/35/172060835.db2.gz ZPZHLYZFDDESFN-QPUJVOFHSA-N 0 0 230.315 2.293 10 30 BEEERN CN(C(=O)CC#N)c1ccc(Cl)cc1 ZINC000077302393 172300827 /nfs/dbraw/zinc/30/08/27/172300827.db2.gz BTQFFGLQWHGXFJ-UHFFFAOYSA-N 0 0 208.648 2.216 10 30 BEEERN CN(C)c1nc(-c2ccccc2)ncc1C#N ZINC000090568229 172576973 /nfs/dbraw/zinc/57/69/73/172576973.db2.gz YBYXXTIYMBEFAO-UHFFFAOYSA-N 0 0 224.267 2.081 10 30 BEEERN CN(CCC#N)c1ccc(Cl)cc1N ZINC000019833116 172667259 /nfs/dbraw/zinc/66/72/59/172667259.db2.gz OQZATUZVMCUCEF-UHFFFAOYSA-N 0 0 209.680 2.272 10 30 BEEERN CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000019934410 173092741 /nfs/dbraw/zinc/09/27/41/173092741.db2.gz MLBHWENVLKWPMV-ZDUSSCGKSA-N 0 0 249.745 2.152 10 30 BEEERN CN1CCN([C@H](C#N)c2ccccc2Cl)CC1 ZINC000019934380 173095897 /nfs/dbraw/zinc/09/58/97/173095897.db2.gz PENJLKUDNDGRQP-CYBMUJFWSA-N 0 0 249.745 2.152 10 30 BEEERN CNc1ccc(-c2ccc(C#N)cc2)nn1 ZINC000050867911 173474734 /nfs/dbraw/zinc/47/47/34/173474734.db2.gz UBCYLEPVHHNRLQ-UHFFFAOYSA-N 0 0 210.240 2.057 10 30 BEEERN CO/N=C/c1cc(Br)ccc1O ZINC000058441983 173493040 /nfs/dbraw/zinc/49/30/40/173493040.db2.gz BXFUDGHSGNZJGH-BJMVGYQFSA-N 0 0 230.061 2.135 10 30 BEEERN COCCC(=O)[C@H](C#N)c1cc(C)ccc1OC ZINC000036930955 174138916 /nfs/dbraw/zinc/13/89/16/174138916.db2.gz UCQFFXXALNDUHO-GFCCVEGCSA-N 0 0 247.294 2.216 10 30 BEEERN COCCC(=O)[C@@H](C#N)c1cc(F)cc(F)c1 ZINC000049350456 174139257 /nfs/dbraw/zinc/13/92/57/174139257.db2.gz GEMWTZQAKHLDQP-NSHDSACASA-N 0 0 239.221 2.178 10 30 BEEERN COCCCN[C@@H](C#N)c1ccccc1C ZINC000019987214 174249030 /nfs/dbraw/zinc/24/90/30/174249030.db2.gz LISGKUPGSHLQLO-ZDUSSCGKSA-N 0 0 218.300 2.186 10 30 BEEERN COCCN(c1cc(C#N)ccn1)[C@@H](C)C1CC1 ZINC000042681515 174302266 /nfs/dbraw/zinc/30/22/66/174302266.db2.gz IMQALRIYUJPZBN-NSHDSACASA-N 0 0 245.326 2.205 10 30 BEEERN COCCN(c1ncccc1C#N)[C@@H](C)C1CC1 ZINC000042681519 174303107 /nfs/dbraw/zinc/30/31/07/174303107.db2.gz OSHRDNQYKDQRAV-NSHDSACASA-N 0 0 245.326 2.205 10 30 BEEERN COCCN[C@@H](C#N)c1ccc(Cl)cc1 ZINC000020174168 174336925 /nfs/dbraw/zinc/33/69/25/174336925.db2.gz PFBHMEDXFOXEQN-NSHDSACASA-N 0 0 224.691 2.141 10 30 BEEERN COCC[C@H](C)NC(=O)c1ccc(C#N)cc1C ZINC000118970685 174405045 /nfs/dbraw/zinc/40/50/45/174405045.db2.gz PRSVXBLVDQBVFS-NSHDSACASA-N 0 0 246.310 2.022 10 30 BEEERN COC[C@H](C)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000175802460 174529202 /nfs/dbraw/zinc/52/92/02/174529202.db2.gz SWGQCZYXXLGGPK-WDEREUQCSA-N 0 0 247.294 2.445 10 30 BEEERN COc1c(C#N)ccc([C@H]2CO2)c1Cl ZINC000113504650 174917936 /nfs/dbraw/zinc/91/79/36/174917936.db2.gz YVQCIQLUAKOUEH-MRVPVSSYSA-N 0 0 209.632 2.292 10 30 BEEERN COc1cc(N[C@@H](C)C#N)cc(OC)c1OC ZINC000043514109 175003803 /nfs/dbraw/zinc/00/38/03/175003803.db2.gz BJKORDDHRXRHEQ-QMMMGPOBSA-N 0 0 236.271 2.036 10 30 BEEERN COc1cc([C@H](C#N)N2CCCC2)ccc1O ZINC000037355512 175014893 /nfs/dbraw/zinc/01/48/93/175014893.db2.gz LYAXSTOOCXYVEX-NSHDSACASA-N 0 0 232.283 2.061 10 30 BEEERN COc1cc2cc(C#N)c(=S)[n-]c2cc1OC ZINC000084075404 175026770 /nfs/dbraw/zinc/02/67/70/175026770.db2.gz JYKAZSQFJNNMPR-UHFFFAOYSA-N 0 0 246.291 2.412 10 30 BEEERN COc1ccc(N(C)C[C@@H](C)C#N)c([N+](=O)[O-])c1 ZINC000042251853 175136726 /nfs/dbraw/zinc/13/67/26/175136726.db2.gz MMNBNQXWFYDWFG-VIFPVBQESA-N 0 0 249.270 2.199 10 30 BEEERN COc1ccc(NC[C@@H](C)C#N)c(OC)c1 ZINC000032013634 175152015 /nfs/dbraw/zinc/15/20/15/175152015.db2.gz NFTAYFDYOFNYGZ-VIFPVBQESA-N 0 0 220.272 2.275 10 30 BEEERN COc1ccc(N[C@H]2CCC[C@@H]2C#N)cn1 ZINC000054822768 175155214 /nfs/dbraw/zinc/15/52/14/175155214.db2.gz UFRQOVQTJSFYAB-KOLCDFICSA-N 0 0 217.272 2.194 10 30 BEEERN COc1ccc(OC)c(C2=CC(=O)CC2)c1 ZINC000032013244 175164599 /nfs/dbraw/zinc/16/45/99/175164599.db2.gz JROOTPORGLXJLT-UHFFFAOYSA-N 0 0 218.252 2.450 10 30 BEEERN COc1ccc(OC)c(SCCC=O)c1 ZINC000019686177 175167035 /nfs/dbraw/zinc/16/70/35/175167035.db2.gz PEDGAJADXJOCPJ-UHFFFAOYSA-N 0 0 226.297 2.385 10 30 BEEERN COc1ccc(SCCC/C(N)=N/O)cc1 ZINC000019847832 175175292 /nfs/dbraw/zinc/17/52/92/175175292.db2.gz MCURXANVTXCZQV-UHFFFAOYSA-N 0 0 240.328 2.314 10 30 BEEERN COc1ccc([C@@H]2CC(=O)C=CO2)cc1 ZINC000069850419 175182068 /nfs/dbraw/zinc/18/20/68/175182068.db2.gz RITOENHNMXHYGJ-LBPRGKRZSA-N 0 0 204.225 2.239 10 30 BEEERN COc1ccc([C@](C)(N)C#N)cc1Cl ZINC000057496396 175199804 /nfs/dbraw/zinc/19/98/04/175199804.db2.gz HNWIQUYDBWZDNQ-SNVBAGLBSA-N 0 0 210.664 2.046 10 30 BEEERN COc1ccc2c(C#N)c(N)sc2c1 ZINC000085221181 175203583 /nfs/dbraw/zinc/20/35/83/175203583.db2.gz LYALITHCWUWRNL-UHFFFAOYSA-N 0 0 204.254 2.364 10 30 BEEERN COc1ccc2nc(CC#N)sc2c1 ZINC000045237428 175227587 /nfs/dbraw/zinc/22/75/87/175227587.db2.gz WOWQRLIMZOTWJV-UHFFFAOYSA-N 0 0 204.254 2.371 10 30 BEEERN COc1cccc(-c2cc(C#N)no2)c1 ZINC000032009880 175233310 /nfs/dbraw/zinc/23/33/10/175233310.db2.gz YMBIGVHPWIJVJP-UHFFFAOYSA-N 0 0 200.197 2.222 10 30 BEEERN COc1cccc(C(=O)C[C@@H](C)C#N)c1OC ZINC000033426727 175242055 /nfs/dbraw/zinc/24/20/55/175242055.db2.gz BWAXDDRTTSCYET-SECBINFHSA-N 0 0 233.267 2.436 10 30 BEEERN COc1cccc(C(=O)[C@H](C)CC#N)c1OC ZINC000033426656 175247083 /nfs/dbraw/zinc/24/70/83/175247083.db2.gz YKAKFBXFDLBGNI-SECBINFHSA-N 0 0 233.267 2.436 10 30 BEEERN COc1cccc(N(C)c2nccnc2C#N)c1 ZINC000054379444 175275612 /nfs/dbraw/zinc/27/56/12/175275612.db2.gz HOPIBJCKZCYPFX-UHFFFAOYSA-N 0 0 240.266 2.125 10 30 BEEERN COc1cccc(OC)c1OCCCS ZINC000041249954 175281480 /nfs/dbraw/zinc/28/14/80/175281480.db2.gz INHLFXSILCMQLG-UHFFFAOYSA-N 0 0 228.313 2.403 10 30 BEEERN COc1cccc([C@H](C#N)NC(C)C)c1OC ZINC000020176882 175291771 /nfs/dbraw/zinc/29/17/71/175291771.db2.gz ILGLXVOBOIFHQP-NSHDSACASA-N 0 0 234.299 2.266 10 30 BEEERN COc1ccccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000061889242 175318876 /nfs/dbraw/zinc/31/88/76/175318876.db2.gz OJRWQEAAIRHHER-JQWIXIFHSA-N 0 0 244.294 2.117 10 30 BEEERN COc1ccnc(Nc2ccc(C#N)cc2)n1 ZINC000047818708 175368156 /nfs/dbraw/zinc/36/81/56/175368156.db2.gz TWKOFKKZSWFBJZ-UHFFFAOYSA-N 0 0 226.239 2.100 10 30 BEEERN CSc1cncc(C#N)c1OC1CC1 ZINC000095733280 175585493 /nfs/dbraw/zinc/58/54/93/175585493.db2.gz ASVXWDXMONCULK-UHFFFAOYSA-N 0 0 206.270 2.216 10 30 BEEERN C[C@@H](C#N)CNc1ccc2c(c1)OCCO2 ZINC000032013267 175596832 /nfs/dbraw/zinc/59/68/32/175596832.db2.gz OWHQBCIZWNNACK-VIFPVBQESA-N 0 0 218.256 2.029 10 30 BEEERN C[C@@H](C#N)Nc1ccc2c(c1)OCCCO2 ZINC000043514135 175598790 /nfs/dbraw/zinc/59/87/90/175598790.db2.gz YBFYTRDDRZSDRY-VIFPVBQESA-N 0 0 218.256 2.172 10 30 BEEERN C[C@@H](Nc1cn[nH]c1)c1ccc(C#N)cc1 ZINC000035763961 175935918 /nfs/dbraw/zinc/93/59/18/175935918.db2.gz CKXVPDDJHGUOQO-SECBINFHSA-N 0 0 212.256 2.454 10 30 BEEERN C[C@@H]1CCCC[C@@H]1Oc1cc(/C(N)=N/O)ccn1 ZINC000019425953 176082831 /nfs/dbraw/zinc/08/28/31/176082831.db2.gz JBCIVTIGXDOQHE-KOLCDFICSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@@H]1CCCC[C@H]1N(C)c1nccnc1C#N ZINC000054379397 176087003 /nfs/dbraw/zinc/08/70/03/176087003.db2.gz KDYDRCLGGZXOBT-ZYHUDNBSSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)nc1 ZINC000115001191 176087489 /nfs/dbraw/zinc/08/74/89/176087489.db2.gz HLAGAYBNLWBINW-ZWNOBZJWSA-N 0 0 243.310 2.262 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(C#N)c2)O1 ZINC000122243650 176196940 /nfs/dbraw/zinc/19/69/40/176196940.db2.gz AZEWBGWDEFMXOZ-SKDRFNHKSA-N 0 0 230.267 2.064 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1CC#Cc1ccc(F)cc1 ZINC000151493889 176345847 /nfs/dbraw/zinc/34/58/47/176345847.db2.gz FZDNRPHRNJAQCM-CHWSQXEVSA-N 0 0 247.313 2.286 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1Cc1cc(C#N)ccc1F ZINC000120776601 176346714 /nfs/dbraw/zinc/34/67/14/176346714.db2.gz XKZVNIURFIMJKD-GHMZBOCLSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000077498191 176401631 /nfs/dbraw/zinc/40/16/31/176401631.db2.gz BQTBUGSUAOABFZ-HQJQHLMTSA-N 0 0 233.246 2.227 10 30 BEEERN C=C1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)O[C@]13CC=C(C)[C@@H]23 ZINC000669678991 487634100 /nfs/dbraw/zinc/63/41/00/487634100.db2.gz UVJYAKBJSGRTHA-OGMFBOKVSA-N 0 0 246.306 2.372 10 30 BEEERN C[C@@]1(CC#N)COc2ccccc2C1=O ZINC000045929626 176529707 /nfs/dbraw/zinc/52/97/07/176529707.db2.gz XXHXHKCTTDAKIA-GFCCVEGCSA-N 0 0 201.225 2.182 10 30 BEEERN C[C@H](C1CC1)N(C)c1ccc(C#N)cc1N ZINC000036783296 176593185 /nfs/dbraw/zinc/59/31/85/176593185.db2.gz DTHUIFANLOAQAP-SECBINFHSA-N 0 0 215.300 2.375 10 30 BEEERN C[C@H](CC#N)C(=O)N(C)Cc1ccccc1 ZINC000049816055 176596070 /nfs/dbraw/zinc/59/60/70/176596070.db2.gz RCXXZCCXBPEMOL-LLVKDONJSA-N 0 0 216.284 2.195 10 30 BEEERN C[C@@H](C#N)CN(C)c1cccc(F)c1[C@H](C)O ZINC000103923272 177015541 /nfs/dbraw/zinc/01/55/41/177015541.db2.gz ZBBAIRJKZNBMRK-UWVGGRQHSA-N 0 0 236.290 2.475 10 30 BEEERN C[C@H]1CCCC[C@@H]1N(C)c1nccnc1C#N ZINC000054379396 177082225 /nfs/dbraw/zinc/08/22/25/177082225.db2.gz KDYDRCLGGZXOBT-JQWIXIFHSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)Nc2cccc(C#N)c2)O1 ZINC000122243854 177182212 /nfs/dbraw/zinc/18/22/12/177182212.db2.gz AZEWBGWDEFMXOZ-CABZTGNLSA-N 0 0 230.267 2.064 10 30 BEEERN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(C#N)nc2)C1 ZINC000115315156 177312114 /nfs/dbraw/zinc/31/21/14/177312114.db2.gz VPLHUAWLCWKWBB-PHIMTYICSA-N 0 0 243.310 2.071 10 30 BEEERN C[C@H]1C[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000075981702 177383314 /nfs/dbraw/zinc/38/33/14/177383314.db2.gz QXXUGQXNZRNRJA-GXFFZTMASA-N 0 0 243.310 2.108 10 30 BEEERN C[C@H]1OCCC[C@H]1C(=O)Oc1ccc(C#N)cc1 ZINC000192190973 177397282 /nfs/dbraw/zinc/39/72/82/177397282.db2.gz AXKJWXMEBGBCME-ZWNOBZJWSA-N 0 0 245.278 2.279 10 30 BEEERN C[C@](N)(C#N)CCc1ccc(OC(F)F)cc1 ZINC000022165840 177443005 /nfs/dbraw/zinc/44/30/05/177443005.db2.gz CKOXYUHTEFJFNI-GFCCVEGCSA-N 0 0 240.253 2.462 10 30 BEEERN CCCc1nn([C@H](C)C2CC2)c(N)c1C#N ZINC000087503600 259044858 /nfs/dbraw/zinc/04/48/58/259044858.db2.gz ZBOFEIQXYIFLIS-MRVPVSSYSA-N 0 0 218.304 2.260 10 30 BEEERN C=C[C@H](C(=O)[O-])[N@@H+]1CCCC(C)(C)CC1 ZINC000300937040 487703143 /nfs/dbraw/zinc/70/31/43/487703143.db2.gz CVDFBZHNHWPJQP-SNVBAGLBSA-N 0 0 211.305 2.138 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)C1CC(C)C1 ZINC000531000889 322959564 /nfs/dbraw/zinc/95/95/64/322959564.db2.gz IGFDNKCZVMUOKQ-HSOILSAZSA-N 0 0 208.305 2.041 10 30 BEEERN CC(C)(C)/N=C/C1=NC(C)(C)N(O)C1(C)C ZINC000100504287 487946595 /nfs/dbraw/zinc/94/65/95/487946595.db2.gz RYESLLXOZDBWGE-MDWZMJQESA-N 0 0 224.328 2.473 10 30 BEEERN CC(C)[C@@](C)(C#N)NC(=O)Cc1ccccc1 ZINC000060054305 322940371 /nfs/dbraw/zinc/94/03/71/322940371.db2.gz JHHAZQNMYOLBJI-CQSZACIVSA-N 0 0 230.311 2.284 10 30 BEEERN C=CCN(C)CC(=O)c1cc(C)n(CC)c1C ZINC000121598275 324019081 /nfs/dbraw/zinc/01/90/81/324019081.db2.gz ORIMSONVDVRCJI-UHFFFAOYSA-N 0 0 234.343 2.425 10 30 BEEERN Cc1ccc(CC(=O)N2CCC(C#N)CC2)s1 ZINC000061584245 324085722 /nfs/dbraw/zinc/08/57/22/324085722.db2.gz ZTXCVFSNJCAOCU-UHFFFAOYSA-N 0 0 248.351 2.361 10 30 BEEERN C[C@@H](CC#N)N(C)Cc1nc(-c2ccoc2)no1 ZINC000129632213 324968970 /nfs/dbraw/zinc/96/89/70/324968970.db2.gz HKOMAEDSDVMRPZ-VIFPVBQESA-N 0 0 246.270 2.064 10 30 BEEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(C)=O ZINC000130790583 325088133 /nfs/dbraw/zinc/08/81/33/325088133.db2.gz JOXSMSDLBRZDIB-UHFFFAOYSA-N 0 0 235.239 2.291 10 30 BEEERN C=CCCCN(C)C(=O)C1(C#N)CCC1 ZINC000134878744 325380821 /nfs/dbraw/zinc/38/08/21/325380821.db2.gz MFUIGKZJZZMAMN-UHFFFAOYSA-N 0 0 206.289 2.105 10 30 BEEERN COC[C@H](C)CNc1cccc(C#N)c1 ZINC000135625573 325420626 /nfs/dbraw/zinc/42/06/26/325420626.db2.gz QZADMVLXVAGUMU-SNVBAGLBSA-N 0 0 204.273 2.253 10 30 BEEERN CC#CCNC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000135389995 488033444 /nfs/dbraw/zinc/03/34/44/488033444.db2.gz SIECBCMCAQRGEK-ZIAGYGMSSA-N 0 0 242.322 2.113 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1O ZINC000061889218 488066075 /nfs/dbraw/zinc/06/60/75/488066075.db2.gz YPJRGQUASDLTHS-RYUDHWBXSA-N 0 0 244.294 2.123 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)CC1CCCC1 ZINC000061889156 488065995 /nfs/dbraw/zinc/06/59/95/488065995.db2.gz OBJXLDMOURCOCM-NEPJUHHUSA-N 0 0 220.316 2.375 10 30 BEEERN COc1cccc2c(CCC=O)ccnc12 ZINC000034520844 488198461 /nfs/dbraw/zinc/19/84/61/488198461.db2.gz CBMBDVHVTJIRSL-UHFFFAOYSA-N 0 0 215.252 2.375 10 30 BEEERN CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C=O ZINC000238853360 518798616 /nfs/dbraw/zinc/79/86/16/518798616.db2.gz JIFWBGWFDJMEGF-VIFPVBQESA-N 0 0 227.304 2.221 10 30 BEEERN Cc1ccc(N)c(C(=O)SCCS)c1 ZINC000584645325 490182644 /nfs/dbraw/zinc/18/26/44/490182644.db2.gz IPUIDIPXVROVMG-UHFFFAOYSA-N 0 0 227.354 2.380 10 30 BEEERN CC(C)(C)OC(=O)NC1CC(CS)C1 ZINC000757165663 582546869 /nfs/dbraw/zinc/54/68/69/582546869.db2.gz NGHTYYPDRIIBAA-UHFFFAOYSA-N 0 0 217.334 2.220 10 30 BEEERN CC(C)(C)OC(=O)NCCC1CC(=O)C1 ZINC000328579667 518775558 /nfs/dbraw/zinc/77/55/58/518775558.db2.gz VLELQAGHWHUESM-UHFFFAOYSA-N 0 0 213.277 2.085 10 30 BEEERN CC(C)(C)OC(=O)N1CC[C@@H](C#N)C(F)(F)C1 ZINC000238856120 518813018 /nfs/dbraw/zinc/81/30/18/518813018.db2.gz UVXFNHDLZNXSQF-QMMMGPOBSA-N 0 0 246.257 2.402 10 30 BEEERN C=CCNc1nc(-c2ccccc2)no1 ZINC000057354014 518962374 /nfs/dbraw/zinc/96/23/74/518962374.db2.gz SBFXXOYJNATIEX-UHFFFAOYSA-N 0 0 201.229 2.335 10 30 BEEERN CC(=NO)c1ccc2nc(N)sc2c1 ZINC000242750529 519351288 /nfs/dbraw/zinc/35/12/88/519351288.db2.gz ZQTZTDPTMOJPDU-UHFFFAOYSA-N 0 0 207.258 2.077 10 30 BEEERN CC(=O)N(C)[C@H](C#N)c1cc(F)ccc1F ZINC000095532453 519449183 /nfs/dbraw/zinc/44/91/83/519449183.db2.gz KCZBSESORXWCJQ-LLVKDONJSA-N 0 0 224.210 2.008 10 30 BEEERN C=C(Cl)CN1CCO[C@H](c2nccs2)C1 ZINC000111691594 534439867 /nfs/dbraw/zinc/43/98/67/534439867.db2.gz MCKOIPOVRAEGGM-VIFPVBQESA-N 0 0 244.747 2.269 10 30 BEEERN CCOC=Nc1ccccc1C(=O)OC ZINC000255003938 521660394 /nfs/dbraw/zinc/66/03/94/521660394.db2.gz GWBUWKDRTPJROK-UHFFFAOYSA-N 0 0 207.229 2.170 10 30 BEEERN C=CCCCN(C)C(=O)N[C@@H](C)CCOC ZINC000125534080 534701904 /nfs/dbraw/zinc/70/19/04/534701904.db2.gz ZWHABEASNKEZQH-NSHDSACASA-N 0 0 228.336 2.019 10 30 BEEERN C=CCN1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000120622838 534849376 /nfs/dbraw/zinc/84/93/76/534849376.db2.gz VPAGKLRBVYHOPU-GFCCVEGCSA-N 0 0 231.295 2.339 10 30 BEEERN C=CCN1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000121388916 534846829 /nfs/dbraw/zinc/84/68/29/534846829.db2.gz KCIGKUBKQNZHET-LLVKDONJSA-N 0 0 225.332 2.369 10 30 BEEERN C=CC[C@@H](C)NC(=O)c1ccc(C)nc1C ZINC000116860500 534886419 /nfs/dbraw/zinc/88/64/19/534886419.db2.gz AJTKHBGBRRUDCJ-SECBINFHSA-N 0 0 218.300 2.393 10 30 BEEERN CC1=C(C(=O)NC2(C#N)CCCC2)CCCO1 ZINC000131376417 535221593 /nfs/dbraw/zinc/22/15/93/535221593.db2.gz GSBKQQKKZAWDKP-UHFFFAOYSA-N 0 0 234.299 2.023 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCCOCC1 ZINC000329311412 535454327 /nfs/dbraw/zinc/45/43/27/535454327.db2.gz ZSONSCRUOIAZTQ-WOPDTQHZSA-N 0 0 240.347 2.248 10 30 BEEERN CCN(C[C@H](C)C#N)C[C@H]1Cc2ccccc2O1 ZINC000249826803 535775311 /nfs/dbraw/zinc/77/53/11/535775311.db2.gz NNYVMBCKSGBYKJ-TZMCWYRMSA-N 0 0 244.338 2.472 10 30 BEEERN CCn1cccc1CNCC(C)(C)C#N ZINC000129227290 536102369 /nfs/dbraw/zinc/10/23/69/536102369.db2.gz ZQOIFSGARFHQHH-UHFFFAOYSA-N 0 0 205.305 2.147 10 30 BEEERN CC(=O)S[C@H](CCS)CCCCC(N)=O ZINC000012495252 571694438 /nfs/dbraw/zinc/69/44/38/571694438.db2.gz ARGXEXVCHMNAQU-VIFPVBQESA-N 0 0 249.401 2.000 10 30 endogenous,in-man BEEERN Cc1nn(C)c(Nc2ccccc2)c1C#N ZINC000111354915 588744323 /nfs/dbraw/zinc/74/43/23/588744323.db2.gz QXKGCKHUYJWMPP-UHFFFAOYSA-N 0 0 212.256 2.344 10 30 BEEERN CC(=O)OCC#Cc1ccc(Cl)cc1 ZINC000113059924 588824398 /nfs/dbraw/zinc/82/43/98/588824398.db2.gz KTBFJBQJLJTSFH-UHFFFAOYSA-N 0 0 208.644 2.255 10 30 BEEERN CCCCCCCC(=O)NCC[C@@H](C)O ZINC000113223369 588827553 /nfs/dbraw/zinc/82/75/53/588827553.db2.gz QIIHXUWJQOMWQL-LLVKDONJSA-N 0 0 215.337 2.234 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@]1(C)c1ccccc1C ZINC000234599010 582461539 /nfs/dbraw/zinc/46/15/39/582461539.db2.gz LSSUGHNMSXSSLU-NEPJUHHUSA-N 0 0 240.686 2.349 10 30 BEEERN CC[C@H](C#N)Nc1ccc2c(c1)CCN2C ZINC000757132201 582507167 /nfs/dbraw/zinc/50/71/67/582507167.db2.gz QVRGMMYYPSZTAY-LLVKDONJSA-N 0 0 215.300 2.393 10 30 BEEERN CC[C@@H](C#N)Nc1ccc2c(c1)CCN2C ZINC000757132259 582507210 /nfs/dbraw/zinc/50/72/10/582507210.db2.gz QVRGMMYYPSZTAY-NSHDSACASA-N 0 0 215.300 2.393 10 30 BEEERN C=C[C@H](C)NC(=S)Nc1cccc(O)c1 ZINC000757133079 582508891 /nfs/dbraw/zinc/50/88/91/582508891.db2.gz FZEVZFDMEUWZQD-QMMMGPOBSA-N 0 0 222.313 2.253 10 30 BEEERN C=C[C@H](C)NC(=S)N[C@@H](C)C(C)C ZINC000757134197 582510480 /nfs/dbraw/zinc/51/04/80/582510480.db2.gz LMJQFLLVQJTPIH-IUCAKERBSA-N 0 0 200.351 2.070 10 30 BEEERN C[C@H](CC#N)Nc1ccc2c(c1)CCN2C ZINC000757134111 582510708 /nfs/dbraw/zinc/51/07/08/582510708.db2.gz WESMPBSLYQNAAS-SNVBAGLBSA-N 0 0 215.300 2.393 10 30 BEEERN C=C[C@H](C)NC(=S)NCc1cccc(F)c1 ZINC000757135555 582514532 /nfs/dbraw/zinc/51/45/32/582514532.db2.gz VAQYJCYCCYDWCQ-VIFPVBQESA-N 0 0 238.331 2.364 10 30 BEEERN O=C1Nc2c(cccc2Br)[C@H]1S ZINC000757159665 582541069 /nfs/dbraw/zinc/54/10/69/582541069.db2.gz GFGUJAOXBQTRFM-SSDOTTSWSA-N 0 0 244.113 2.372 10 30 BEEERN Cn1cncc1CCC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000328806561 582687329 /nfs/dbraw/zinc/68/73/29/582687329.db2.gz DHKOHTYADYHRPQ-ZYHUDNBSSA-N 0 0 246.314 2.001 10 30 BEEERN C[C@@H](CC#N)N(C)CCSC(F)(F)F ZINC000123452355 583848119 /nfs/dbraw/zinc/84/81/19/583848119.db2.gz WEMTXZPDZGTNOZ-ZETCQYMHSA-N 0 0 226.267 2.473 10 30 BEEERN CCC[C@]1(C(=O)OCC)OC12CC(C)C2 ZINC000233398997 583923947 /nfs/dbraw/zinc/92/39/47/583923947.db2.gz UZEWXJHQPPBCCZ-QEWOUOOISA-N 0 0 212.289 2.287 10 30 BEEERN C[C@H]1C[C@H]1NC(=O)Nc1cc(C#N)ccc1F ZINC000888356439 585012957 /nfs/dbraw/zinc/01/29/57/585012957.db2.gz NWQLEDWBODLZFX-OIBJUYFYSA-N 0 0 233.246 2.227 10 30 BEEERN Cc1cc2ncc([C@H](C)S)c(C)n2n1 ZINC000757159764 586430576 /nfs/dbraw/zinc/43/05/76/586430576.db2.gz HIBCVVZWDMQKTA-QMMMGPOBSA-N 0 0 207.302 2.337 10 30 BEEERN COC[C@@H](S)CCCNC(=O)OC(C)(C)C ZINC000757159577 586430681 /nfs/dbraw/zinc/43/06/81/586430681.db2.gz PNVATHJKNAJVNO-VIFPVBQESA-N 0 0 249.376 2.236 10 30 BEEERN C#CC[C@H](OC(=O)[C@H](C)SC)c1ccccn1 ZINC000105549596 588199784 /nfs/dbraw/zinc/19/97/84/588199784.db2.gz KKWMJAHUSXTQGH-JQWIXIFHSA-N 0 0 249.335 2.441 10 30 BEEERN C#CCOc1ccccc1OC(=O)CC1CC1 ZINC000107190698 588337620 /nfs/dbraw/zinc/33/76/20/588337620.db2.gz JPVZABAZTVQHJU-UHFFFAOYSA-N 0 0 230.263 2.404 10 30 BEEERN N#C[C@H](NC(=O)/C=C/c1cccs1)C1CC1 ZINC000108834133 588489696 /nfs/dbraw/zinc/48/96/96/588489696.db2.gz IZBKNWWKIVUPIN-QRGHLMKCSA-N 0 0 232.308 2.180 10 30 BEEERN CCCCCCCCSC[C@@H](O)CO ZINC000118874343 589200836 /nfs/dbraw/zinc/20/08/36/589200836.db2.gz BYEWWAPPFCCOKH-NSHDSACASA-N 0 0 220.378 2.433 10 30 BEEERN C=CCCOC(=O)CCc1ccncc1 ZINC000119365809 589275282 /nfs/dbraw/zinc/27/52/82/589275282.db2.gz UZTPQCCQRQHTCN-UHFFFAOYSA-N 0 0 205.257 2.134 10 30 BEEERN C#C[C@@H](C)OC(=O)c1cncc(OC(C)C)c1 ZINC000119634733 589315672 /nfs/dbraw/zinc/31/56/72/589315672.db2.gz KQYYJCBGKRTQFQ-SNVBAGLBSA-N 0 0 233.267 2.047 10 30 BEEERN C#C[C@H](Cc1ccccc1)OC(=O)[C@H]1C[C@@H]1C ZINC000120575167 589439439 /nfs/dbraw/zinc/43/94/39/589439439.db2.gz FIFVFCXGVUQDFX-YUTCNCBUSA-N 0 0 228.291 2.430 10 30 BEEERN C#CCCCOC(=O)c1ncccc1OCC ZINC000120945070 589479072 /nfs/dbraw/zinc/47/90/72/589479072.db2.gz OWFLSTXJZRQIBK-UHFFFAOYSA-N 0 0 233.267 2.051 10 30 BEEERN C#C[C@H](C)OC(=O)/C=C/c1ccccc1 ZINC000122030261 589550304 /nfs/dbraw/zinc/55/03/04/589550304.db2.gz HYPRGFRLCBRJAR-USKTWTLRSA-N 0 0 200.237 2.265 10 30 BEEERN Oc1ccccc1/C=N/Cc1cscn1 ZINC000122216038 589565848 /nfs/dbraw/zinc/56/58/48/589565848.db2.gz VTXREBJWGYAHFC-LFYBBSHMSA-N 0 0 218.281 2.468 10 30 BEEERN C=CCOC(=O)/C=C/c1ccnc(Cl)c1 ZINC000123153236 589666764 /nfs/dbraw/zinc/66/67/64/589666764.db2.gz TYDMFMSMMXOZBX-ONEGZZNKSA-N 0 0 223.659 2.477 10 30 BEEERN COc1cc(C(=O)O[C@@H](C#N)C2CC2)ccc1F ZINC000125517294 590167230 /nfs/dbraw/zinc/16/72/30/590167230.db2.gz CFCHLNVMPDKSTG-LBPRGKRZSA-N 0 0 249.241 2.293 10 30 BEEERN C=CCCO[C@H](C)C(=O)OC1(C)CCC1 ZINC000126923046 590507095 /nfs/dbraw/zinc/50/70/95/590507095.db2.gz JLRXAVLBGFPNOM-SNVBAGLBSA-N 0 0 212.289 2.453 10 30 BEEERN C#CC[C@@H](OC(=O)[C@H]1CC1(C)C)C1CC1 ZINC000127714570 590757785 /nfs/dbraw/zinc/75/77/85/590757785.db2.gz RMURSMGRHUJUQM-GHMZBOCLSA-N 0 0 206.285 2.378 10 30 BEEERN CC(C)[C@@H](C)OC(=O)c1cc(C#N)cn1C ZINC000128018674 590879634 /nfs/dbraw/zinc/87/96/34/590879634.db2.gz MXIDOSKLFQFTET-SECBINFHSA-N 0 0 220.272 2.098 10 30 BEEERN N#Cc1ccsc1C(=O)OCC(F)(F)F ZINC000128999303 591201552 /nfs/dbraw/zinc/20/15/52/591201552.db2.gz DKOMBCCNXHAHHK-UHFFFAOYSA-N 0 0 235.186 2.339 10 30 BEEERN C#C[C@@H](C)OC(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000129151495 591260451 /nfs/dbraw/zinc/26/04/51/591260451.db2.gz CRRMKNINVFTYKH-NWDGAFQWSA-N 0 0 246.306 2.439 10 30 BEEERN C[C@H](OC(=O)c1ccoc1)C(C)(C)C#N ZINC000131395859 591606984 /nfs/dbraw/zinc/60/69/84/591606984.db2.gz OYLGTCGZJXSUJS-QMMMGPOBSA-N 0 0 207.229 2.375 10 30 BEEERN CS[C@@H](C)C(=O)O[C@H](C)C(C)(C)C#N ZINC000131530609 591617951 /nfs/dbraw/zinc/61/79/51/591617951.db2.gz FZMNWFBBVKOPJZ-JGVFFNPUSA-N 0 0 215.318 2.219 10 30 BEEERN CC[C@@H](C)OCC(=O)O[C@H](C)C(C)(C)C#N ZINC000131606727 591627053 /nfs/dbraw/zinc/62/70/53/591627053.db2.gz QLIFKTPNFPCBAJ-NXEZZACHSA-N 0 0 227.304 2.283 10 30 BEEERN C[C@H](O)c1ccn(CCCC(C)(C)C#N)n1 ZINC000133805853 591861042 /nfs/dbraw/zinc/86/10/42/591861042.db2.gz KXKIVWZVBQUXER-JTQLQIEISA-N 0 0 221.304 2.266 10 30 BEEERN C#C[C@H](OC(=O)CC[C@H]1CC[C@H](C)O1)C1CC1 ZINC000133937355 591870022 /nfs/dbraw/zinc/87/00/22/591870022.db2.gz CGFBYTMZLQTMLH-UHTWSYAYSA-N 0 0 236.311 2.289 10 30 BEEERN CC(=O)C1CCN(c2ccc(C#N)cc2)CC1 ZINC000104419885 592613372 /nfs/dbraw/zinc/61/33/72/592613372.db2.gz LRDDALIIQOMHKV-UHFFFAOYSA-N 0 0 228.295 2.364 10 30 BEEERN C#CCNC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000048845524 632603579 /nfs/dbraw/zinc/60/35/79/632603579.db2.gz GETQRHUTCDSXSU-ZETCQYMHSA-N 0 0 242.731 2.395 10 30 BEEERN C=CCN(CC=C)c1ccc(CC(=O)NC)cc1 ZINC000119999398 635901431 /nfs/dbraw/zinc/90/14/31/635901431.db2.gz DELJCYOYUAWAEV-UHFFFAOYSA-N 0 0 244.338 2.154 10 30 BEEERN Cc1nc([C@H](C)NCCO[C@@H](C)C#N)cs1 ZINC000309459262 633091001 /nfs/dbraw/zinc/09/10/01/633091001.db2.gz OJHLUOQBGGCUGE-IUCAKERBSA-N 0 0 239.344 2.031 10 30 BEEERN COc1cc2c(cc1CS)O[C@@H](C)C2 ZINC000168141800 633140004 /nfs/dbraw/zinc/14/00/04/633140004.db2.gz LSAPNIFUBPEKBN-ZETCQYMHSA-N 0 0 210.298 2.448 10 30 BEEERN C[C@@H](O)[C@H](C)Nc1c(F)cc(C#N)cc1F ZINC000309959744 633984491 /nfs/dbraw/zinc/98/44/91/633984491.db2.gz KJODZVHMKFHCJX-NKWVEPMBSA-N 0 0 226.226 2.018 10 30 BEEERN C[C@H](O)[C@H](C)Nc1c(F)cc(C#N)cc1F ZINC000309959743 633984832 /nfs/dbraw/zinc/98/48/32/633984832.db2.gz KJODZVHMKFHCJX-BQBZGAKWSA-N 0 0 226.226 2.018 10 30 BEEERN Cc1cc(C#N)ccc1N(C)C[C@H]1CCCO1 ZINC000042466238 637269082 /nfs/dbraw/zinc/26/90/82/637269082.db2.gz PXAQCPJFEQLTEQ-CYBMUJFWSA-N 0 0 230.311 2.482 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(O)c(F)c1 ZINC000224395866 640616100 /nfs/dbraw/zinc/61/61/00/640616100.db2.gz JLYMYBWKVTZEKH-JQWIXIFHSA-N 0 0 234.274 2.313 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(O)c(F)c1 ZINC000224395916 640616146 /nfs/dbraw/zinc/61/61/46/640616146.db2.gz JLYMYBWKVTZEKH-PWSUYJOCSA-N 0 0 234.274 2.313 10 30 BEEERN CC(C)CC(=O)[C@H](C#N)c1ccccn1 ZINC000060488077 640864562 /nfs/dbraw/zinc/86/45/62/640864562.db2.gz QHVIAFHAVUUAII-SNVBAGLBSA-N 0 0 202.257 2.304 10 30 BEEERN C=CCc1cc([N+](=O)[O-])ccc1OCC#N ZINC000060738292 640883449 /nfs/dbraw/zinc/88/34/49/640883449.db2.gz HUCLATXWEOLJJG-UHFFFAOYSA-N 0 0 218.212 2.226 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccnc1Cl ZINC000061890252 641005082 /nfs/dbraw/zinc/00/50/82/641005082.db2.gz HLUQSHGQAQLONV-WCBMZHEXSA-N 0 0 249.701 2.157 10 30 BEEERN C#CCCCCNC(=O)[C@H]1CCC[C@@H]1C ZINC000230059180 641012745 /nfs/dbraw/zinc/01/27/45/641012745.db2.gz QOUWKLWBEAEKTR-RYUDHWBXSA-N 0 0 207.317 2.342 10 30 BEEERN Cc1cc(C#N)ccc1N1CCn2ccnc2C1 ZINC000062255488 641030644 /nfs/dbraw/zinc/03/06/44/641030644.db2.gz XKGABXURXOYJAM-UHFFFAOYSA-N 0 0 238.294 2.083 10 30 BEEERN N#Cc1ccc(N2CCC[C@H]2CO)c(Cl)c1 ZINC000062791520 641096934 /nfs/dbraw/zinc/09/69/34/641096934.db2.gz LZRYGFCOWPUDLV-JTQLQIEISA-N 0 0 236.702 2.173 10 30 BEEERN C=CCNC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189688770 641817558 /nfs/dbraw/zinc/81/75/58/641817558.db2.gz LJYDFNFEAIMGJL-LBPRGKRZSA-N 0 0 246.310 2.304 10 30 BEEERN CC(C)CN(CCC#N)Cc1ccc(N)nc1 ZINC000050815015 642336372 /nfs/dbraw/zinc/33/63/72/642336372.db2.gz HVDTYDUTVYEAOP-UHFFFAOYSA-N 0 0 232.331 2.035 10 30 BEEERN C=CCCCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000175279072 642668534 /nfs/dbraw/zinc/66/85/34/642668534.db2.gz BVUISAISXWDIFW-MNOVXSKESA-N 0 0 212.289 2.311 10 30 BEEERN C[C@@H](O)c1cccc(OCCO[C@@H](C)C#N)c1 ZINC000306053923 642718663 /nfs/dbraw/zinc/71/86/63/642718663.db2.gz UCWDYTLOVMFLRV-WDEREUQCSA-N 0 0 235.283 2.047 10 30 BEEERN C#CCCCCC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000180789663 642814733 /nfs/dbraw/zinc/81/47/33/642814733.db2.gz IZDZXDNWAHRSGC-RYUDHWBXSA-N 0 0 224.300 2.148 10 30 BEEERN C[C@H](C#N)NC(=O)c1nc(Cl)ccc1Cl ZINC000068925430 643155173 /nfs/dbraw/zinc/15/51/73/643155173.db2.gz GIJOQAJAZPXATM-RXMQYKEDSA-N 0 0 244.081 2.030 10 30 BEEERN CC1(C)CCC(C2COS(=O)(=O)OC2)CC1 ZINC000757192623 643365989 /nfs/dbraw/zinc/36/59/89/643365989.db2.gz PMOPLKHKZIQUCW-UHFFFAOYSA-N 0 0 248.344 2.111 10 30 BEEERN C#Cc1cccc(NC(=O)[C@@H]2CCO[C@@H]2CC)c1 ZINC000234157986 643543413 /nfs/dbraw/zinc/54/34/13/643543413.db2.gz IIAHNXHQMZEOKA-ZIAGYGMSSA-N 0 0 243.306 2.422 10 30 BEEERN C#CCOCCC(=O)NC1CCC(CC)CC1 ZINC000162886298 644156631 /nfs/dbraw/zinc/15/66/31/644156631.db2.gz HBARDBCAPVEVLF-UHFFFAOYSA-N 0 0 237.343 2.111 10 30 BEEERN C[C@@H](OC(=O)c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000079176598 644159246 /nfs/dbraw/zinc/15/92/46/644159246.db2.gz XWUKRDRGFRIZPC-ZWNOBZJWSA-N 0 0 245.278 2.140 10 30 BEEERN C=CCC[C@H](C)OC(=O)[C@H]1CC[C@H](C)O1 ZINC000089320519 644543729 /nfs/dbraw/zinc/54/37/29/644543729.db2.gz XRHOBOSJCHZRKV-GARJFASQSA-N 0 0 212.289 2.452 10 30 BEEERN N#C[C@@H](C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000250256237 644752828 /nfs/dbraw/zinc/75/28/28/644752828.db2.gz TZFDWIPXWRPFAH-WRWGMCAJSA-N 0 0 226.279 2.304 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)OC1CCCC1 ZINC000304503064 644911615 /nfs/dbraw/zinc/91/16/15/644911615.db2.gz CTZNNOBSGHOTSM-GXSJLCMTSA-N 0 0 222.288 2.347 10 30 BEEERN C#CCCNCc1nc(C(C)(C)C)co1 ZINC000724438900 711580567 /nfs/dbraw/zinc/58/05/67/711580567.db2.gz SETWCCOPIXBOSP-UHFFFAOYSA-N 0 0 206.289 2.085 10 30 BEEERN C[C@H](C#N)NC(=O)[C@H]1CCC=CCCC1 ZINC000719055793 712794707 /nfs/dbraw/zinc/79/47/07/712794707.db2.gz HYZDDLQJVDJSEV-MNOVXSKESA-N 0 0 206.289 2.151 10 30 BEEERN C[C@H]1CN(Cc2ccc(C#N)o2)C(C)(C)CO1 ZINC000097139437 711448815 /nfs/dbraw/zinc/44/88/15/711448815.db2.gz GKPVBCRHQMYHPE-JTQLQIEISA-N 0 0 234.299 2.151 10 30 BEEERN CC(C)C(=O)OCC#Cc1ccccc1 ZINC000121169658 711487902 /nfs/dbraw/zinc/48/79/02/711487902.db2.gz FEFPGZLJAZCISB-UHFFFAOYSA-N 0 0 202.253 2.237 10 30 BEEERN C=CCc1ccccc1OC(=O)[C@@H](C)OC ZINC000120234890 711698692 /nfs/dbraw/zinc/69/86/92/711698692.db2.gz ZBVMTTHGRQSCDT-SNVBAGLBSA-N 0 0 220.268 2.355 10 30 BEEERN C[C@@H](OC(=O)[C@@H]1CC[C@@H](C)O1)C(C)(C)C#N ZINC000245550279 711763216 /nfs/dbraw/zinc/76/32/16/711763216.db2.gz OOLPTYINFAEVIN-BBBLOLIVSA-N 0 0 225.288 2.035 10 30 BEEERN C#CCCCCC(=O)NC1CC(SC)C1 ZINC000707233395 712167083 /nfs/dbraw/zinc/16/70/83/712167083.db2.gz DYRLDVDQXICIDH-UHFFFAOYSA-N 0 0 225.357 2.190 10 30 BEEERN C=CCCOC(=O)c1ccc(COC)o1 ZINC000103649183 712427700 /nfs/dbraw/zinc/42/77/00/712427700.db2.gz DUAWWWDSWRMFKV-UHFFFAOYSA-N 0 0 210.229 2.159 10 30 BEEERN CC1(C(=O)N[C@H]2CCC[C@H]2C#N)CC(F)(F)C1 ZINC000720440680 712843576 /nfs/dbraw/zinc/84/35/76/712843576.db2.gz APFIQJGOXYPTPJ-IUCAKERBSA-N 0 0 242.269 2.230 10 30 BEEERN N#Cc1cc(Cl)nc(N[C@@H]2CCCOC2)c1 ZINC000215566563 1167416647 /nfs/dbraw/zinc/41/66/47/1167416647.db2.gz CMXJRTFXQJRRFB-SECBINFHSA-N 0 0 237.690 2.198 10 30 BEEERN CC(C)(C)C[N@H+](CC(=O)[O-])CC1(CC#N)CC1 ZINC000692599786 954702536 /nfs/dbraw/zinc/70/25/36/954702536.db2.gz LJTYPKHYWQUTEP-UHFFFAOYSA-N 0 0 238.331 2.113 10 30 BEEERN O=C1c2ccccc2OC/C1=C/c1cocn1 ZINC000588579906 959347942 /nfs/dbraw/zinc/34/79/42/959347942.db2.gz ZWQUYFWZDGGGJR-UITAMQMPSA-N 0 0 227.219 2.333 10 30 BEEERN Cc1ccoc1C(=O)/C=C\c1cocn1 ZINC000588580139 959350977 /nfs/dbraw/zinc/35/09/77/959350977.db2.gz VGMWODWONIVEPO-IHWYPQMZSA-N 0 0 203.197 2.472 10 30 BEEERN O=C1c2ccc(O)cc2C/C1=C/c1cocn1 ZINC000588580573 959354804 /nfs/dbraw/zinc/35/48/04/959354804.db2.gz VYKQZMFHKQZEIX-WTKPLQERSA-N 0 0 227.219 2.203 10 30 BEEERN CCCOCCOC(=O)c1cccc(CC#N)c1 ZINC000058248762 965211930 /nfs/dbraw/zinc/21/19/30/965211930.db2.gz FMDKFTCDXIRKEU-UHFFFAOYSA-N 0 0 247.294 2.336 10 30 BEEERN CC1(C)CC[C@@H](Nc2nnccc2C#N)C1 ZINC000129211346 973897633 /nfs/dbraw/zinc/89/76/33/973897633.db2.gz NREJRXQDGXMMMI-SNVBAGLBSA-N 0 0 216.288 2.339 10 30 BEEERN C#CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000688813141 976192917 /nfs/dbraw/zinc/19/29/17/976192917.db2.gz HEKUCJGUXLGGDF-UHFFFAOYSA-N 0 0 231.295 2.228 10 30 BEEERN C#CC[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC000688825016 976194735 /nfs/dbraw/zinc/19/47/35/976194735.db2.gz PZUZEIFILZKYFF-UHFFFAOYSA-N 0 0 249.285 2.368 10 30 BEEERN C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000692336365 976423025 /nfs/dbraw/zinc/42/30/25/976423025.db2.gz ODAGCQSYKSFQDZ-WDEREUQCSA-N 0 0 247.294 2.384 10 30 BEEERN C#C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000692337121 976425107 /nfs/dbraw/zinc/42/51/07/976425107.db2.gz XQFBZNSEQIDZRY-NSHDSACASA-N 0 0 247.294 2.131 10 30 BEEERN C[C@H](CCC#N)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000695693015 976802268 /nfs/dbraw/zinc/80/22/68/976802268.db2.gz XSZYBSAGVKNFEM-NEPJUHHUSA-N 0 0 238.331 2.255 10 30 BEEERN C#C[C@@H]([NH2+][C@@H](CCCC)C(=O)[O-])C(C)(C)C ZINC000702275268 977074648 /nfs/dbraw/zinc/07/46/48/977074648.db2.gz JCBBWFKPAXKOPK-WDEREUQCSA-N 0 0 225.332 2.267 10 30 BEEERN C[C@]1(C#N)CC[N@@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000703717514 977177766 /nfs/dbraw/zinc/17/77/66/977177766.db2.gz NSNVHPDRIDBMCK-GXTWGEPZSA-N 0 0 244.294 2.048 10 30 BEEERN CCCCCCC[N@@H+]1CC[C@@](OC)(C(=O)[O-])C1 ZINC000703741148 977180878 /nfs/dbraw/zinc/18/08/78/977180878.db2.gz GJCUJESEYSBHGL-ZDUSSCGKSA-N 0 0 243.347 2.132 10 30 BEEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000708822797 977445650 /nfs/dbraw/zinc/44/56/50/977445650.db2.gz POMGMLVBATWZBI-RYUDHWBXSA-N 0 0 223.316 2.138 10 30 BEEERN C=CCCCCC[NH2+]C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715639568 977775994 /nfs/dbraw/zinc/77/59/94/977775994.db2.gz HFLNGSBTDIAOFV-NXEZZACHSA-N 0 0 247.285 2.288 10 30 BEEERN CCOc1cccc(CN[C@@H](C)CC#N)c1 ZINC000037871531 1170987246 /nfs/dbraw/zinc/98/72/46/1170987246.db2.gz MPCSLQQOWSQJBX-NSHDSACASA-N 0 0 218.300 2.477 10 30 BEEERN C=CCNC(=O)/C=C(\C)c1ccc(OC)cc1 ZINC000040642999 1171146235 /nfs/dbraw/zinc/14/62/35/1171146235.db2.gz LUNWYDUKGLUJNY-ZHACJKMWSA-N 0 0 231.295 2.401 10 30 BEEERN C#Cc1cccc(NC(=O)[C@H](C#N)CC)c1 ZINC000044812641 1171415657 /nfs/dbraw/zinc/41/56/57/1171415657.db2.gz VQOPXSWLGYAODR-NSHDSACASA-N 0 0 212.252 2.156 10 30 BEEERN C=CCCOCC(F)(F)CNCCC ZINC000685958258 538905644 /nfs/dbraw/zinc/90/56/44/538905644.db2.gz VUYUJUHPJLKRBD-UHFFFAOYSA-N 0 0 207.264 2.214 10 30 BEEERN C=CC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C ZINC000685961975 538909275 /nfs/dbraw/zinc/90/92/75/538909275.db2.gz QRXBBAKYEZIJEV-JTQLQIEISA-N 0 0 239.315 2.435 10 30 BEEERN C=C(C)C(=O)[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685962222 538909321 /nfs/dbraw/zinc/90/93/21/538909321.db2.gz ZARPZYLYKLIQIX-VHSXEESVSA-N 0 0 239.315 2.292 10 30 BEEERN CC(C#CC(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000685952525 538896500 /nfs/dbraw/zinc/89/65/00/538896500.db2.gz AKNPBMRXBLHKRC-QWRGUYRKSA-N 0 0 224.300 2.147 10 30 BEEERN CC[C@H](C#N)n1cc2ccc(N)cc2n1 ZINC000685965470 538911921 /nfs/dbraw/zinc/91/19/21/538911921.db2.gz GAHNCOADDSTJHD-SNVBAGLBSA-N 0 0 200.245 2.093 10 30 BEEERN N#C[C@H]1CCC[C@@H]1Nc1ncc(Cl)cn1 ZINC000308862932 136216945 /nfs/dbraw/zinc/21/69/45/136216945.db2.gz CHLXNOGLUPRHBF-APPZFPTMSA-N 0 0 222.679 2.234 10 30 BEEERN Cc1cc(N(C)C[C@@H](C)C#N)ccc1N ZINC000042455170 178098581 /nfs/dbraw/zinc/09/85/81/178098581.db2.gz HLADFDQIWDYSTC-VIFPVBQESA-N 0 0 203.289 2.173 10 30 BEEERN Cc1cc(N(N)CCC#N)c2ccccc2n1 ZINC000029416221 178101720 /nfs/dbraw/zinc/10/17/20/178101720.db2.gz VHEXAAOYSCWAMJ-UHFFFAOYSA-N 0 0 226.283 2.137 10 30 BEEERN Cc1cc(N)c(C#N)cc1Br ZINC000202493498 178102868 /nfs/dbraw/zinc/10/28/68/178102868.db2.gz JUMBIYSZZDBMKB-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN N#C[C@]1(c2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000380121688 398196458 /nfs/dbraw/zinc/19/64/58/398196458.db2.gz MUYCVXNPQAQTEC-GFCCVEGCSA-N 0 0 232.239 2.167 10 30 BEEERN C=CC[C@](C(N)=O)(c1ccccn1)C(C)C ZINC000095896757 187326563 /nfs/dbraw/zinc/32/65/63/187326563.db2.gz NIFBWXNUFPQZKD-CYBMUJFWSA-N 0 0 218.300 2.037 10 30 BEEERN C=CCNC(=O)N1CCC[C@@H](OCCC)CC1 ZINC000108536889 136220066 /nfs/dbraw/zinc/22/00/66/136220066.db2.gz GKEQMYFPCATIQQ-GFCCVEGCSA-N 0 0 240.347 2.163 10 30 BEEERN C=CCNc1cc(Cl)nnc1Cl ZINC000126709156 398219761 /nfs/dbraw/zinc/21/97/61/398219761.db2.gz OKAZHCVUOGCANB-UHFFFAOYSA-N 0 0 204.060 2.381 10 30 BEEERN Cc1cc(NC[C@@H](O)CC(C)C)c(C#N)c(C)n1 ZINC000227593453 178164284 /nfs/dbraw/zinc/16/42/84/178164284.db2.gz IECNYSQLOJQMOO-LBPRGKRZSA-N 0 0 247.342 2.389 10 30 BEEERN Cc1cc(NC[C@H](O)C(C)(C)C)c(C#N)c(C)n1 ZINC000301768422 178169258 /nfs/dbraw/zinc/16/92/58/178169258.db2.gz IGCCLPVRGNWRIK-ZDUSSCGKSA-N 0 0 247.342 2.389 10 30 BEEERN Cc1cc(N[C@@H](C)[C@@H]2CCCO2)cc(C#N)n1 ZINC000308278271 178178233 /nfs/dbraw/zinc/17/82/33/178178233.db2.gz SHHVASGUPMZZPW-GWCFXTLKSA-N 0 0 231.299 2.241 10 30 BEEERN C[Si](C)(C)C#Cc1cccnc1[N+](=O)[O-] ZINC000201080545 349520763 /nfs/dbraw/zinc/52/07/63/349520763.db2.gz WFOIZFMMTNEBEX-UHFFFAOYSA-N 0 0 220.304 2.219 10 30 BEEERN CC[C@@]1(c2cccc(F)c2)O[C@@H]1C(=O)OC ZINC000164144644 538931818 /nfs/dbraw/zinc/93/18/18/538931818.db2.gz TZWMGYIVFSPFCH-PWSUYJOCSA-N 0 0 224.231 2.003 10 30 BEEERN Cc1cc(S[C@H](C)[C@@H](C)O)c(C#N)c(C)n1 ZINC000227594028 178220106 /nfs/dbraw/zinc/22/01/06/178220106.db2.gz YDBNABZVPUDFIN-NXEZZACHSA-N 0 0 236.340 2.432 10 30 BEEERN COC(=O)[C@]1(C(C)C)O[C@@]1(C)CC1CC1 ZINC000229762700 538941262 /nfs/dbraw/zinc/94/12/62/538941262.db2.gz BJCILJXXQAKPLC-RYUDHWBXSA-N 0 0 212.289 2.143 10 30 BEEERN C[C@H]1COC[C@H](C)N1CC#Cc1ccccc1 ZINC000137159940 136229078 /nfs/dbraw/zinc/22/90/78/136229078.db2.gz BMJOSSOBHDPRMA-KBPBESRZSA-N 0 0 229.323 2.147 10 30 BEEERN Cc1cc2ncn([C@H](C)C/C(N)=N/O)c2cc1C ZINC000048258112 178305793 /nfs/dbraw/zinc/30/57/93/178305793.db2.gz ACANECNJJMASRK-SNVBAGLBSA-N 0 0 246.314 2.351 10 30 BEEERN Cc1cc2ncn([C@@H](C)C/C(N)=N/O)c2cc1C ZINC000048258110 178304792 /nfs/dbraw/zinc/30/47/92/178304792.db2.gz ACANECNJJMASRK-JTQLQIEISA-N 0 0 246.314 2.351 10 30 BEEERN Cc1ccc(-c2nc(C#N)c(N)o2)cc1C ZINC000077305473 178332454 /nfs/dbraw/zinc/33/24/54/178332454.db2.gz DRXWNUMUGWHHCJ-UHFFFAOYSA-N 0 0 213.240 2.412 10 30 BEEERN Cc1ccc(NC2=NC[C@H](C)S2)nc1 ZINC000020354399 178359273 /nfs/dbraw/zinc/35/92/73/178359273.db2.gz WQOGKUCQOMUBKH-QMMMGPOBSA-N 0 0 207.302 2.102 10 30 BEEERN Cc1ccc(C#N)c(NC2(CO)CCCCC2)n1 ZINC000053096405 178362961 /nfs/dbraw/zinc/36/29/61/178362961.db2.gz IONHPOYIDIMEJT-UHFFFAOYSA-N 0 0 245.326 2.369 10 30 BEEERN Cc1ccc(C#N)c(N2CCCO[C@H](C)C2)c1 ZINC000061932243 178363360 /nfs/dbraw/zinc/36/33/60/178363360.db2.gz PUPMOGNQGKCVOG-GFCCVEGCSA-N 0 0 230.311 2.482 10 30 BEEERN Cc1ccc(C(=O)N(CCC#N)C2CC2)cc1O ZINC000042548692 178382943 /nfs/dbraw/zinc/38/29/43/178382943.db2.gz MZUKGNLKZUPXEC-UHFFFAOYSA-N 0 0 244.294 2.219 10 30 BEEERN C[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)C(C)(C)C ZINC000399071674 398267468 /nfs/dbraw/zinc/26/74/68/398267468.db2.gz OPHFPCNTGWBMRO-VWYCJHECSA-N 0 0 222.332 2.477 10 30 BEEERN C#CCC(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC000405573922 538960318 /nfs/dbraw/zinc/96/03/18/538960318.db2.gz LBALAEIYRGGTSC-UHFFFAOYSA-N 0 0 237.299 2.026 10 30 BEEERN C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@@H]1C ZINC000180689543 538959163 /nfs/dbraw/zinc/95/91/63/538959163.db2.gz YDVNRIHMCXUPCL-GARJFASQSA-N 0 0 210.321 2.439 10 30 BEEERN C=CC(=O)[C@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406044332 538962788 /nfs/dbraw/zinc/96/27/88/538962788.db2.gz RBYNNVXVNBSACA-UWVGGRQHSA-N 0 0 237.299 2.211 10 30 BEEERN C=CCCC[C@@H](C)NC(=O)[C@@H](C)COC ZINC000182583297 538963729 /nfs/dbraw/zinc/96/37/29/538963729.db2.gz VNLOHYVGYASUQX-WDEREUQCSA-N 0 0 213.321 2.130 10 30 BEEERN C=CCc1c(=O)[nH]c2ccccc2c1OC ZINC000003944938 342739769 /nfs/dbraw/zinc/73/97/69/342739769.db2.gz ATWGTECQAIQLEL-UHFFFAOYSA-N 0 0 215.252 2.265 10 30 BEEERN O=C1CCCCCCCN1CCS ZINC000404023147 361859432 /nfs/dbraw/zinc/85/94/32/361859432.db2.gz KFPSSVXJUDQWJQ-UHFFFAOYSA-N 0 0 201.335 2.099 10 30 BEEERN CCCC/C(=N\NC(N)=S)c1ccccc1 ZINC000005417547 342763547 /nfs/dbraw/zinc/76/35/47/342763547.db2.gz XIKQCWKUXPAUPG-SDNWHVSQSA-N 0 0 235.356 2.414 10 30 BEEERN CCC(CC)Nc1ncc(N)cc1C#N ZINC000037758853 168395073 /nfs/dbraw/zinc/39/50/73/168395073.db2.gz XMXWEVILBVXMGQ-UHFFFAOYSA-N 0 0 204.277 2.136 10 30 BEEERN N#CCc1c(O)ccc(Br)c1F ZINC000216658270 342834754 /nfs/dbraw/zinc/83/47/54/342834754.db2.gz MVBGKOQBNOGNFB-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN COc1ccc2c(c1)[C@]1(CCC2)O[C@@H]1C#N ZINC000390085747 539019739 /nfs/dbraw/zinc/01/97/39/539019739.db2.gz FWVFMSPNBYJPPH-OLZOCXBDSA-N 0 0 215.252 2.149 10 30 BEEERN CC1(C)C[C@]2(O[C@H]2C#N)c2ccccc2O1 ZINC000390047644 539019784 /nfs/dbraw/zinc/01/97/84/539019784.db2.gz DITQKKCHQMUJCQ-AAEUAGOBSA-N 0 0 215.252 2.365 10 30 BEEERN C=C[C@H](c1ccccc1)N1CCOCC1 ZINC000032600055 342855196 /nfs/dbraw/zinc/85/51/96/342855196.db2.gz KYCOHOVPRZPLEG-CYBMUJFWSA-N 0 0 203.285 2.246 10 30 BEEERN C#C[C@H](NC)c1c(F)cccc1Br ZINC000165164677 342879115 /nfs/dbraw/zinc/87/91/15/342879115.db2.gz WQBUZWMVLURENP-VIFPVBQESA-N 0 0 242.091 2.482 10 30 BEEERN C#CCOc1cccc(NC(=O)CCSC)c1 ZINC000108184874 398302995 /nfs/dbraw/zinc/30/29/95/398302995.db2.gz REKFBPCDJHRJSF-UHFFFAOYSA-N 0 0 249.335 2.390 10 30 BEEERN CN(C)/C=C1\Cc2c(cccc2F)C1=O ZINC000308713376 342863328 /nfs/dbraw/zinc/86/33/28/342863328.db2.gz DYSIYQSFOHHFMN-BQYQJAHWSA-N 0 0 205.232 2.010 10 30 BEEERN Cn1c2cc(C#N)ccc2nc1C(F)(F)F ZINC000076213557 398303867 /nfs/dbraw/zinc/30/38/67/398303867.db2.gz LTHSGPGSLDNPPW-UHFFFAOYSA-N 0 0 225.173 2.464 10 30 BEEERN C#C[C@H](N)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000407132708 342894042 /nfs/dbraw/zinc/89/40/42/342894042.db2.gz DUTHFPILHFIMCN-JTQLQIEISA-N 0 0 247.298 2.062 10 30 BEEERN CC1(C)CCCC[C@@H]1C(=O)C(C#N)C#N ZINC000226594649 342898907 /nfs/dbraw/zinc/89/89/07/342898907.db2.gz YTWCQOFHYVIGNI-SNVBAGLBSA-N 0 0 204.273 2.435 10 30 BEEERN Cc1cc(F)cc(C(=O)N[C@@H](C#N)C2CC2)c1 ZINC000134789066 342888424 /nfs/dbraw/zinc/88/84/24/342888424.db2.gz DOCMWGWERCVAIG-LBPRGKRZSA-N 0 0 232.258 2.166 10 30 BEEERN C#CCC[C@@H](O)c1ncccc1Br ZINC000133096116 398321949 /nfs/dbraw/zinc/32/19/49/398321949.db2.gz REIYZSASHYKFHB-SECBINFHSA-N 0 0 240.100 2.291 10 30 BEEERN C#CCC(=O)[C@H]1SCCS[C@@H]1CC ZINC000228081559 398321976 /nfs/dbraw/zinc/32/19/76/398321976.db2.gz NECZXHYNTHZDQG-NXEZZACHSA-N 0 0 214.355 2.206 10 30 BEEERN COc1nc(OC(F)(F)F)ccc1CC#N ZINC000309234531 342920411 /nfs/dbraw/zinc/92/04/11/342920411.db2.gz ANBWSRLIYBFIBM-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN N#Cc1cc(F)c(Cl)nc1OCC(F)F ZINC000575433910 398327946 /nfs/dbraw/zinc/32/79/46/398327946.db2.gz VCVSTDUMJVSSMB-UHFFFAOYSA-N 0 0 236.580 2.390 10 30 BEEERN CC(C)(C)NC(=O)O[C@H](C=O)Cc1ccccc1 ZINC000113732538 398333260 /nfs/dbraw/zinc/33/32/60/398333260.db2.gz ZLRPMCQPNGAZHA-LBPRGKRZSA-N 0 0 249.310 2.321 10 30 BEEERN OCc1ccc(C#Cc2ccc(O)cc2)cc1 ZINC000116865727 342939036 /nfs/dbraw/zinc/93/90/36/342939036.db2.gz IVNAPRMSDJLUFE-UHFFFAOYSA-N 0 0 224.259 2.284 10 30 BEEERN C=C(C)CNc1nc(Cl)nnc1Cl ZINC000229342556 398342454 /nfs/dbraw/zinc/34/24/54/398342454.db2.gz RCIIFTDWZWPUSS-UHFFFAOYSA-N 0 0 219.075 2.166 10 30 BEEERN C#CCNCc1cc(F)ccc1Br ZINC000020033298 187205873 /nfs/dbraw/zinc/20/58/73/187205873.db2.gz NPPSYBNBKSPUNA-UHFFFAOYSA-N 0 0 242.091 2.311 10 30 BEEERN Cc1cc(=O)c2cc(Cl)ccc2n1CC#N ZINC000040174217 342959100 /nfs/dbraw/zinc/95/91/00/342959100.db2.gz VICZKVSZDBKRGA-UHFFFAOYSA-N 0 0 232.670 2.487 10 30 BEEERN CCN(C)c1noc(-c2cccc(C#N)c2)n1 ZINC000234011580 342991201 /nfs/dbraw/zinc/99/12/01/342991201.db2.gz PWMVNKDGPNQKCC-UHFFFAOYSA-N 0 0 228.255 2.064 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H](C2CC2)C1 ZINC000329734622 136261423 /nfs/dbraw/zinc/26/14/23/136261423.db2.gz KKYUMXPWPIVFTA-AVGNSLFASA-N 0 0 247.342 2.325 10 30 BEEERN N#Cc1cccnc1-n1ccc(C(F)(F)F)n1 ZINC000043298547 343038819 /nfs/dbraw/zinc/03/88/19/343038819.db2.gz JPZSQSWLDKJJHX-UHFFFAOYSA-N 0 0 238.172 2.158 10 30 BEEERN COc1ccc(C#CCCCCO)cc1 ZINC000141037221 343088953 /nfs/dbraw/zinc/08/89/53/343088953.db2.gz UQAOKADDXZSSGH-UHFFFAOYSA-N 0 0 204.269 2.209 10 30 BEEERN CC(=O)Nc1ccc(-c2coc(N)c2C#N)cc1 ZINC000040537833 187231667 /nfs/dbraw/zinc/23/16/67/187231667.db2.gz IOHYYJVRDBNCCW-UHFFFAOYSA-N 0 0 241.250 2.359 10 30 BEEERN C=CCCCC(=O)C(OCC)OCC ZINC000043504186 343101059 /nfs/dbraw/zinc/10/10/59/343101059.db2.gz SBFMVZXXKBSXEH-UHFFFAOYSA-N 0 0 200.278 2.311 10 30 BEEERN C[C@@H](C#N)Oc1ccc(CO)cc1Cl ZINC000043517496 343117933 /nfs/dbraw/zinc/11/79/33/343117933.db2.gz QZJMZABUABKUNZ-ZETCQYMHSA-N 0 0 211.648 2.123 10 30 BEEERN C[C@@H](Sc1ccccc1F)/C(N)=N/O ZINC000043517068 343118039 /nfs/dbraw/zinc/11/80/39/343118039.db2.gz TVQGZXZKPOZOOT-ZCFIWIBFSA-N 0 0 214.265 2.053 10 30 BEEERN Cc1ccc(C#N)c(-n2ccc(C=O)c2)c1 ZINC000075619308 187234243 /nfs/dbraw/zinc/23/42/43/187234243.db2.gz FSCDHZLOIZRECD-UHFFFAOYSA-N 0 0 210.236 2.470 10 30 BEEERN CCc1cc(C#N)cc(CC)c1CC(=O)OC ZINC000142850309 343113675 /nfs/dbraw/zinc/11/36/75/343113675.db2.gz VXGWZDYBEQRPDH-UHFFFAOYSA-N 0 0 231.295 2.399 10 30 BEEERN COC(=O)Cc1cc(C)c(C#N)cc1Cl ZINC000143095625 343116929 /nfs/dbraw/zinc/11/69/29/343116929.db2.gz VFDBGFWNGVSLPB-UHFFFAOYSA-N 0 0 223.659 2.236 10 30 BEEERN C=C(C)CNC(=S)N/N=C/c1ccsc1 ZINC000003350590 187246086 /nfs/dbraw/zinc/24/60/86/187246086.db2.gz UVRHRKCLAMHRBK-WUXMJOGZSA-N 0 0 239.369 2.122 10 30 BEEERN CCCCS[C@@H](C)C(=O)N[C@@H](C#N)C1CC1 ZINC000108834417 136275382 /nfs/dbraw/zinc/27/53/82/136275382.db2.gz UNGLKOAVGLBXJW-ONGXEEELSA-N 0 0 240.372 2.327 10 30 BEEERN Cn1c(C#N)ccc1-c1ccc(N)cc1F ZINC000034947988 187244758 /nfs/dbraw/zinc/24/47/58/187244758.db2.gz MGFMZAUPZJHQAW-UHFFFAOYSA-N 0 0 215.231 2.285 10 30 BEEERN C[C@@H](C#N)CN1CCc2ccccc2C1 ZINC000031945870 343226605 /nfs/dbraw/zinc/22/66/05/343226605.db2.gz ZRTISBCGBZHVPY-NSHDSACASA-N 0 0 200.285 2.204 10 30 BEEERN CN(CCC#N)c1cc(Cl)nnc1Cl ZINC000127128388 343233381 /nfs/dbraw/zinc/23/33/81/343233381.db2.gz NAWDYQVALPNFFF-UHFFFAOYSA-N 0 0 231.086 2.133 10 30 BEEERN COc1ccc(C(=O)C[C@@H](C)C#N)cc1 ZINC000033426699 343253796 /nfs/dbraw/zinc/25/37/96/343253796.db2.gz IAUJCVJRWZJGEY-SECBINFHSA-N 0 0 203.241 2.428 10 30 BEEERN C=CCO[C@H](C)NC(=O)OC(C)(C)C ZINC000238471736 343257354 /nfs/dbraw/zinc/25/73/54/343257354.db2.gz MRBJYLOMMIXLRJ-MRVPVSSYSA-N 0 0 201.266 2.060 10 30 BEEERN N#CCCN(C(=O)C1CC1)c1ccccc1 ZINC000019517843 187252741 /nfs/dbraw/zinc/25/27/41/187252741.db2.gz HNQJYUBWMJJIFE-UHFFFAOYSA-N 0 0 214.268 2.343 10 30 BEEERN N#CCN(C[C@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000310100119 343274224 /nfs/dbraw/zinc/27/42/24/343274224.db2.gz BDHOXPGLPRNJQM-JSGCOSHPSA-N 0 0 236.359 2.306 10 30 BEEERN CN(Cc1cccnc1)[C@@H]1CCC[C@@H]1C#N ZINC000036771269 343323901 /nfs/dbraw/zinc/32/39/01/343323901.db2.gz BOAVRSSRJUBWBV-CHWSQXEVSA-N 0 0 215.300 2.206 10 30 BEEERN C=CC(=O)Nc1cc(Cl)ccc1C#N ZINC000037003598 343330095 /nfs/dbraw/zinc/33/00/95/343330095.db2.gz RJGZZXDOQCIXEB-UHFFFAOYSA-N 0 0 206.632 2.336 10 30 BEEERN CC(=O)Nc1ccc(NC2=NC[C@H](C)S2)cc1 ZINC000035287069 187258185 /nfs/dbraw/zinc/25/81/85/187258185.db2.gz UVWHTGKAHPDHFF-QMMMGPOBSA-N 0 0 249.339 2.357 10 30 BEEERN CC(C)(C)c1cccc(OCC/C(N)=N/O)c1 ZINC000036969978 187259066 /nfs/dbraw/zinc/25/90/66/187259066.db2.gz AQHJGXNZJJJETJ-UHFFFAOYSA-N 0 0 236.315 2.499 10 30 BEEERN Cc1cn([C@@H](C)/C(N)=N\O)c2ccccc12 ZINC000039109910 343384857 /nfs/dbraw/zinc/38/48/57/343384857.db2.gz RCYYKOXUPFHXNI-VIFPVBQESA-N 0 0 217.272 2.257 10 30 BEEERN Cc1ccc(CC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061888380 178522762 /nfs/dbraw/zinc/52/27/62/178522762.db2.gz FJZUIPVELPNQEG-KGLIPLIRSA-N 0 0 242.322 2.346 10 30 BEEERN N#Cc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000149145792 259362070 /nfs/dbraw/zinc/36/20/70/259362070.db2.gz KKGKVPMYJVOIRR-UHFFFAOYSA-N 0 0 200.556 2.259 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1cccc2c1OCO2 ZINC000054826165 136372931 /nfs/dbraw/zinc/37/29/31/136372931.db2.gz WQOCETQJOSQKKM-ZYHUDNBSSA-N 0 0 244.294 2.197 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000054828654 136373144 /nfs/dbraw/zinc/37/31/44/136373144.db2.gz OWZIPAVHVVZYRO-ZYHUDNBSSA-N 0 0 245.282 2.377 10 30 BEEERN N#Cc1cccc([C@@H](C#N)NCC(F)(F)F)c1 ZINC000037970978 187262032 /nfs/dbraw/zinc/26/20/32/187262032.db2.gz WDLOVKYGTBSPPN-SNVBAGLBSA-N 0 0 239.200 2.275 10 30 BEEERN C#Cc1cc(C#C)cc(C(=O)OC(C)C)c1 ZINC000149923358 343461941 /nfs/dbraw/zinc/46/19/41/343461941.db2.gz MOSBDLWYJNBFHE-UHFFFAOYSA-N 0 0 212.248 2.214 10 30 BEEERN COc1ccc([C@@H](C#N)NCC2CC2)c(OC)c1 ZINC000037946837 187261840 /nfs/dbraw/zinc/26/18/40/187261840.db2.gz AFITUHFQGQPYOJ-CYBMUJFWSA-N 0 0 246.310 2.268 10 30 BEEERN CCOc1cccc(OCC)c1CC=O ZINC000045805739 343534583 /nfs/dbraw/zinc/53/45/83/343534583.db2.gz DXASWSRDLMJIQL-UHFFFAOYSA-N 0 0 208.257 2.225 10 30 BEEERN Cc1ccc(CN(C)c2cnc(C#N)cn2)s1 ZINC000123668488 178558107 /nfs/dbraw/zinc/55/81/07/178558107.db2.gz GWXOTHGDOVEPQT-UHFFFAOYSA-N 0 0 244.323 2.355 10 30 BEEERN COc1cnc(CC#N)cc1OC(F)(F)F ZINC000309506749 343644631 /nfs/dbraw/zinc/64/46/31/343644631.db2.gz LKYFPKQEDYAQEW-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN CC(C)[C@H](C#N)C(=O)NCC1CCCCC1 ZINC000044822523 187268449 /nfs/dbraw/zinc/26/84/49/187268449.db2.gz MJJOOUYASNXMKQ-LBPRGKRZSA-N 0 0 222.332 2.479 10 30 BEEERN Cc1ccn(-c2nc(C)cc(C)c2C#N)n1 ZINC000052884190 187270960 /nfs/dbraw/zinc/27/09/60/187270960.db2.gz NNKUNWXDYRURAK-UHFFFAOYSA-N 0 0 212.256 2.064 10 30 BEEERN C=C[C@@H]1C(=C)C(=O)Oc2cc(OC)ccc21 ZINC000084672479 187269739 /nfs/dbraw/zinc/26/97/39/187269739.db2.gz KHAWFJVWXKAOKG-SNVBAGLBSA-N 0 0 216.236 2.440 10 30 BEEERN Cc1ccnc(NCC[C@@H]2CCCO2)c1C#N ZINC000135072147 343711846 /nfs/dbraw/zinc/71/18/46/343711846.db2.gz FXYBLDPSIARREJ-NSHDSACASA-N 0 0 231.299 2.243 10 30 BEEERN CC(C)(C=O)CN1CCc2ccccc21 ZINC000051175103 346974313 /nfs/dbraw/zinc/97/43/13/346974313.db2.gz ARDBPGDCOFXVSL-UHFFFAOYSA-N 0 0 203.285 2.274 10 30 BEEERN CCCCCCCCNc1ccc(=O)[nH]n1 ZINC000409428419 343803824 /nfs/dbraw/zinc/80/38/24/343803824.db2.gz FCLZBQDANCTMQG-UHFFFAOYSA-N 0 0 223.320 2.377 10 30 BEEERN N#CCn1nc(C(F)(F)F)c2c1CCCC2 ZINC000409440865 343855974 /nfs/dbraw/zinc/85/59/74/343855974.db2.gz VGAYLLDTDRXLIS-UHFFFAOYSA-N 0 0 229.205 2.304 10 30 BEEERN C=CCCc1cc(Br)ncn1 ZINC000409433233 343832026 /nfs/dbraw/zinc/83/20/26/343832026.db2.gz YXCIMTHOXUCUEK-UHFFFAOYSA-N 0 0 213.078 2.358 10 30 BEEERN NC(=NO)c1nc(C2CCCC2)n2ccccc12 ZINC000409437602 343842156 /nfs/dbraw/zinc/84/21/56/343842156.db2.gz AILAIEFUMMOFMR-UHFFFAOYSA-N 0 0 244.298 2.086 10 30 BEEERN C=CCn1c(-c2ccc(C)o2)cc(=S)[nH]c1=O ZINC000409438801 343845214 /nfs/dbraw/zinc/84/52/14/343845214.db2.gz OYDSREZOVNTMDT-UHFFFAOYSA-N 0 0 248.307 2.286 10 30 BEEERN CCc1[nH]nc(C(F)(F)F)c1CCC#N ZINC000409438936 343845717 /nfs/dbraw/zinc/84/57/17/343845717.db2.gz NCFBIIAJFBPHEG-UHFFFAOYSA-N 0 0 217.194 2.447 10 30 BEEERN CCc1[nH]nc(C2CCOCC2)c1CCC#N ZINC000409437826 343848906 /nfs/dbraw/zinc/84/89/06/343848906.db2.gz AISBTSDKXWVUKQ-UHFFFAOYSA-N 0 0 233.315 2.322 10 30 BEEERN N#CCn1ccn2nc(-c3ccsc3)cc12 ZINC000409438028 343849215 /nfs/dbraw/zinc/84/92/15/343849215.db2.gz JYSCHDGJZMDTTD-UHFFFAOYSA-N 0 0 228.280 2.388 10 30 BEEERN N#CCn1nc(-c2ccncc2)cc1C1CC1 ZINC000409438314 343850096 /nfs/dbraw/zinc/85/00/96/343850096.db2.gz CPGPTGBLSFJOGC-UHFFFAOYSA-N 0 0 224.267 2.346 10 30 BEEERN C#Cc1csc(NC(=O)OC(C)(C)C)n1 ZINC000039123759 187353644 /nfs/dbraw/zinc/35/36/44/187353644.db2.gz TTWIHIZDTREMDV-UHFFFAOYSA-N 0 0 224.285 2.471 10 30 BEEERN N#Cc1ccnc(-c2ccc(C=O)s2)c1 ZINC000585144343 343879418 /nfs/dbraw/zinc/87/94/18/343879418.db2.gz KUKMNVISZDLNEI-UHFFFAOYSA-N 0 0 214.249 2.494 10 30 BEEERN CCc1cc(C#Cc2ccccc2)ncn1 ZINC000585144814 343879964 /nfs/dbraw/zinc/87/99/64/343879964.db2.gz HMFQGRSUYLZSSK-UHFFFAOYSA-N 0 0 208.264 2.439 10 30 BEEERN OCCCC#Cc1nc2ccccc2s1 ZINC000585144809 343880076 /nfs/dbraw/zinc/88/00/76/343880076.db2.gz HBZNOZDPQWYLKS-UHFFFAOYSA-N 0 0 217.293 2.420 10 30 BEEERN COCC#Cc1nccc2sccc21 ZINC000585145211 343880456 /nfs/dbraw/zinc/88/04/56/343880456.db2.gz IASQZCIAFGKIER-UHFFFAOYSA-N 0 0 203.266 2.294 10 30 BEEERN N#Cc1c(C2CC2)[nH]nc1C(F)(F)F ZINC000409441671 343860513 /nfs/dbraw/zinc/86/05/13/343860513.db2.gz SOFHZVLTEYUZIN-UHFFFAOYSA-N 0 0 201.151 2.178 10 30 BEEERN C#CCn1nc(-c2cccs2)cc1C(=O)OC ZINC000409443721 343862925 /nfs/dbraw/zinc/86/29/25/343862925.db2.gz SKLLXDXVSOTWQB-UHFFFAOYSA-N 0 0 246.291 2.031 10 30 BEEERN O=CC1CCN(c2ccc(Cl)cn2)CC1 ZINC000054268438 343885038 /nfs/dbraw/zinc/88/50/38/343885038.db2.gz BJKWRMBIKACMAH-UHFFFAOYSA-N 0 0 224.691 2.150 10 30 BEEERN C#CC[C@@H](O)c1ccc(N)cc1Br ZINC000307465493 343938163 /nfs/dbraw/zinc/93/81/63/343938163.db2.gz DEFKDFOHAAIUSJ-SNVBAGLBSA-N 0 0 240.100 2.088 10 30 BEEERN C=C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000305971969 343930603 /nfs/dbraw/zinc/93/06/03/343930603.db2.gz GVMMABBNWQKAGO-ZIAGYGMSSA-N 0 0 245.322 2.381 10 30 BEEERN C[C@@H](S)C(=O)NC1CCCCCC1 ZINC000235270312 343947881 /nfs/dbraw/zinc/94/78/81/343947881.db2.gz COORYLZYDAGLKT-MRVPVSSYSA-N 0 0 201.335 2.144 10 30 BEEERN CON=CCSc1cccn2ccnc12 ZINC000257354150 344106355 /nfs/dbraw/zinc/10/63/55/344106355.db2.gz VYZRXSLIHPWGNL-UHFFFAOYSA-N 0 0 221.285 2.059 10 30 BEEERN C#CCNc1ccc(Br)nc1C ZINC000235806131 344136128 /nfs/dbraw/zinc/13/61/28/344136128.db2.gz JAXJKGGQIQVXRP-UHFFFAOYSA-N 0 0 225.089 2.198 10 30 BEEERN Cc1ccnc(CC#N)c1Br ZINC000235807968 344137375 /nfs/dbraw/zinc/13/73/75/344137375.db2.gz ZAQXXATXPGIYSC-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN CCOc1cccc(/C=C/C(C)=O)c1O ZINC000026381910 344138871 /nfs/dbraw/zinc/13/88/71/344138871.db2.gz IGRSFPPCXLTNII-BQYQJAHWSA-N 0 0 206.241 2.393 10 30 BEEERN CCCC(C)(C)N=C(NC#N)Nc1cccnc1 ZINC000026576279 344150637 /nfs/dbraw/zinc/15/06/37/344150637.db2.gz UYUQONVPLCYBAX-UHFFFAOYSA-N 0 0 245.330 2.499 10 30 BEEERN N#CCc1cccc(C=O)c1OC(F)(F)F ZINC000616576796 344198581 /nfs/dbraw/zinc/19/85/81/344198581.db2.gz QSNHKCUHUJQXLI-UHFFFAOYSA-N 0 0 229.157 2.464 10 30 BEEERN COc1c(N)c(C#N)sc1NC(C)C ZINC000234811194 344269284 /nfs/dbraw/zinc/26/92/84/344269284.db2.gz YSHUXZKORBRMHG-UHFFFAOYSA-N 0 0 211.290 2.031 10 30 BEEERN CCN(CC)C1=CC(=O)C(=O)c2ccccc21 ZINC000027656375 344284227 /nfs/dbraw/zinc/28/42/27/344284227.db2.gz LZFMSJXMFAPKQK-UHFFFAOYSA-N 0 0 229.279 2.135 10 30 BEEERN C#CCCOc1cc(N)cc(Br)c1 ZINC000236334864 344356505 /nfs/dbraw/zinc/35/65/05/344356505.db2.gz HPNCFDDKJLOEJW-UHFFFAOYSA-N 0 0 240.100 2.433 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061889076 344424361 /nfs/dbraw/zinc/42/43/61/344424361.db2.gz OYINKCOTAVORFZ-BDAKNGLRSA-N 0 0 210.277 2.203 10 30 BEEERN N#Cc1ncc(Br)cc1OC(F)F ZINC000306822663 344447918 /nfs/dbraw/zinc/44/79/18/344447918.db2.gz NURYZBOPPOAUIV-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN Cn1ccn2nc(-c3ccccc3)c(C#N)c12 ZINC000409437583 344463008 /nfs/dbraw/zinc/46/30/08/344463008.db2.gz HIEGOHDVNHVMNY-UHFFFAOYSA-N 0 0 222.251 2.211 10 30 BEEERN N#Cc1c(-c2ccncc2)n[nH]c1C1CC1 ZINC000409439885 344463405 /nfs/dbraw/zinc/46/34/05/344463405.db2.gz KGGKAKSBTZECQX-UHFFFAOYSA-N 0 0 210.240 2.221 10 30 BEEERN Cc1nc(C#N)cc(Cc2cccs2)n1 ZINC000409440203 344463478 /nfs/dbraw/zinc/46/34/78/344463478.db2.gz WHJYOLDIHYEFPO-UHFFFAOYSA-N 0 0 215.281 2.309 10 30 BEEERN CCC1(CNc2cnc(C#N)cn2)CCC1 ZINC000126695687 168483815 /nfs/dbraw/zinc/48/38/15/168483815.db2.gz NUOMRAQXNHYTRK-UHFFFAOYSA-N 0 0 216.288 2.340 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000054826045 344471702 /nfs/dbraw/zinc/47/17/02/344471702.db2.gz BZFKZFNHSUASSY-AVGNSLFASA-N 0 0 222.332 2.227 10 30 BEEERN C#C[C@@H](NN)c1cccc(Cl)c1Cl ZINC000158085030 344474876 /nfs/dbraw/zinc/47/48/76/344474876.db2.gz RHHLYLAOFFLLMG-MRVPVSSYSA-N 0 0 215.083 2.131 10 30 BEEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cs1 ZINC000381146781 344478790 /nfs/dbraw/zinc/47/87/90/344478790.db2.gz KNXSAHKKOCOICA-MWLCHTKSSA-N 0 0 234.324 2.479 10 30 BEEERN CN[C@@]1(C#N)CCc2cc(Cl)ccc21 ZINC000127569064 344564639 /nfs/dbraw/zinc/56/46/39/344564639.db2.gz GOVUCMZYWXOAIW-LLVKDONJSA-N 0 0 206.676 2.224 10 30 BEEERN COC(=O)/C(Cl)=C/c1ccc(C#N)cc1 ZINC000211347212 344565747 /nfs/dbraw/zinc/56/57/47/344565747.db2.gz BXVDFBFOTWXEOG-POHAHGRESA-N 0 0 221.643 2.311 10 30 BEEERN CC[C@H]1C[C@@](Br)(C#N)CCO1 ZINC000127682154 344596849 /nfs/dbraw/zinc/59/68/49/344596849.db2.gz ADWWTOPMZQVDFP-JGVFFNPUSA-N 0 0 218.094 2.233 10 30 BEEERN CC[C@H](NC(=O)c1ccc(C#N)cn1)C(C)C ZINC000111276160 344586646 /nfs/dbraw/zinc/58/66/46/344586646.db2.gz UWLBEOAIIJXSEN-NSHDSACASA-N 0 0 231.299 2.118 10 30 BEEERN COc1cc(C(F)(F)F)ncc1CC#N ZINC000396102062 344602786 /nfs/dbraw/zinc/60/27/86/344602786.db2.gz HNBTUSQJDJLTLO-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN COc1cncc(CC#N)c1C(F)(F)F ZINC000396106017 344603252 /nfs/dbraw/zinc/60/32/52/344603252.db2.gz PTWGYZDUBVYTFD-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1ccnc([N+](=O)[O-])c1C(F)(F)F ZINC000396119674 344607917 /nfs/dbraw/zinc/60/79/17/344607917.db2.gz KRAAVBIDWWBBGD-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN N#CCc1c([N+](=O)[O-])ccnc1C(F)(F)F ZINC000396118947 344607928 /nfs/dbraw/zinc/60/79/28/344607928.db2.gz IWSOOBHQCBXEQR-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C=C[C@H](NN)c1csc(Br)c1 ZINC000158448008 344655868 /nfs/dbraw/zinc/65/58/68/344655868.db2.gz OUCVLPWSJCAWKI-LURJTMIESA-N 0 0 233.134 2.201 10 30 BEEERN CCc1nccn1-c1ccc([N+](=O)[O-])cc1C#N ZINC000104286115 187291995 /nfs/dbraw/zinc/29/19/95/187291995.db2.gz IECITMIRUUUKCJ-UHFFFAOYSA-N 0 0 242.238 2.215 10 30 BEEERN CC[C@H]1CCCCCN1C(=O)CS ZINC000128043800 344724947 /nfs/dbraw/zinc/72/49/47/344724947.db2.gz PSAJHALKLIWMMC-VIFPVBQESA-N 0 0 201.335 2.097 10 30 BEEERN C=CCC(=O)Nc1cc(Br)ccn1 ZINC000227652577 344726977 /nfs/dbraw/zinc/72/69/77/344726977.db2.gz ODSHDSMOCKZPFC-UHFFFAOYSA-N 0 0 241.088 2.359 10 30 BEEERN COC(=O)c1cccc(C2(C#N)CC2)c1 ZINC000116879190 344737408 /nfs/dbraw/zinc/73/74/08/344737408.db2.gz DRGZBOFKZXEUKL-UHFFFAOYSA-N 0 0 201.225 2.028 10 30 BEEERN CC(C)(/C=N/O)c1ccc2c(c1)OCO2 ZINC000116987452 344738358 /nfs/dbraw/zinc/73/83/58/344738358.db2.gz ODPVESJVJICNCC-WUXMJOGZSA-N 0 0 207.229 2.153 10 30 BEEERN Cc1cc(Br)c(CC#N)cc1N ZINC000231518458 344746012 /nfs/dbraw/zinc/74/60/12/344746012.db2.gz NWDUMZMSIDNQHO-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN CC(C)Cn1cc(C#N)c(C(F)(F)F)n1 ZINC000259825820 344692894 /nfs/dbraw/zinc/69/28/94/344692894.db2.gz PIFHQAKKDARRFZ-UHFFFAOYSA-N 0 0 217.194 2.430 10 30 BEEERN CC1(C)C[C@H]1Nc1ccc(C#N)cc1N ZINC000045118027 187292795 /nfs/dbraw/zinc/29/27/95/187292795.db2.gz QPYCMHCXEKMRHE-LLVKDONJSA-N 0 0 201.273 2.351 10 30 BEEERN CC(C)[C@@H]1CCCC[C@H]1OS(C)(=O)=O ZINC000166240224 344811405 /nfs/dbraw/zinc/81/14/05/344811405.db2.gz IJVZBMSIKSXOED-VHSXEESVSA-N 0 0 220.334 2.177 10 30 BEEERN C=C(Cl)Cn1cnc(Cl)c(Cl)c1=O ZINC000166293685 344846371 /nfs/dbraw/zinc/84/63/71/344846371.db2.gz CYHSKWRGPXJIPN-UHFFFAOYSA-N 0 0 239.489 2.303 10 30 BEEERN C[C@@H](S)C(=O)N(C)c1ccc(F)cc1 ZINC000235255334 344860960 /nfs/dbraw/zinc/86/09/60/344860960.db2.gz PETGLZIIABCMPX-SSDOTTSWSA-N 0 0 213.277 2.107 10 30 BEEERN C[C@@H](S)C(=O)N(C)c1cccc(F)c1 ZINC000235255481 344861350 /nfs/dbraw/zinc/86/13/50/344861350.db2.gz UFMHDEUUULTRPN-SSDOTTSWSA-N 0 0 213.277 2.107 10 30 BEEERN C[C@@H](S)C(=O)N1CCCCC[C@@H]1C ZINC000235258247 344859754 /nfs/dbraw/zinc/85/97/54/344859754.db2.gz XLQQUISVOPUKCS-DTWKUNHWSA-N 0 0 201.335 2.096 10 30 BEEERN C[C@@H]1SCC[C@@]1(C#N)N1CCCCC1 ZINC000235328652 344885334 /nfs/dbraw/zinc/88/53/34/344885334.db2.gz PXKIJAXHGQUHFF-QWRGUYRKSA-N 0 0 210.346 2.260 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H](C)CC#N ZINC000120519306 344893293 /nfs/dbraw/zinc/89/32/93/344893293.db2.gz AZTRWTDMBPJQTM-NSHDSACASA-N 0 0 241.294 2.241 10 30 BEEERN C[C@@H]1SCC[C@]1(Br)C#N ZINC000235386472 344899550 /nfs/dbraw/zinc/89/95/50/344899550.db2.gz PTJKKDHIRTWXEG-WDSKDSINSA-N 0 0 206.108 2.169 10 30 BEEERN C#C[C@H](C)Oc1cccc(Br)n1 ZINC000235545006 344937037 /nfs/dbraw/zinc/93/70/37/344937037.db2.gz BAFJWNSGBCDHMB-ZETCQYMHSA-N 0 0 226.073 2.245 10 30 BEEERN C=CCc1ccc2c(c1C)CCOC2=O ZINC000145553137 187296151 /nfs/dbraw/zinc/29/61/51/187296151.db2.gz SKLXGSBYGBFPAG-UHFFFAOYSA-N 0 0 202.253 2.436 10 30 BEEERN C[C@H]1SCC[C@@]1(C#N)N1CCCCC1 ZINC000235617668 344955891 /nfs/dbraw/zinc/95/58/91/344955891.db2.gz PXKIJAXHGQUHFF-MNOVXSKESA-N 0 0 210.346 2.260 10 30 BEEERN C[C@H]1SCC[C@]1(Br)C#N ZINC000235662531 344977045 /nfs/dbraw/zinc/97/70/45/344977045.db2.gz PTJKKDHIRTWXEG-RITPCOANSA-N 0 0 206.108 2.169 10 30 BEEERN N#C[C@H](NCc1ccccc1)[C@@H]1CCSC1 ZINC000224560106 344944169 /nfs/dbraw/zinc/94/41/69/344944169.db2.gz ZXZKUWKYBICZIS-OLZOCXBDSA-N 0 0 232.352 2.421 10 30 BEEERN N#CCc1cc(O)ccc1OC(F)(F)F ZINC000238720990 344984121 /nfs/dbraw/zinc/98/41/21/344984121.db2.gz QSXQHWSOGWRWTO-UHFFFAOYSA-N 0 0 217.146 2.357 10 30 BEEERN C[C@H]1SCC[C@@]1(C#N)NC1CCCC1 ZINC000235672159 345006670 /nfs/dbraw/zinc/00/66/70/345006670.db2.gz DZHCJMREFURBIG-KOLCDFICSA-N 0 0 210.346 2.306 10 30 BEEERN Cc1ccc(OCCC/C(N)=N/O)cc1C ZINC000019480309 178811362 /nfs/dbraw/zinc/81/13/62/178811362.db2.gz KJPFRDPCBSWJKH-UHFFFAOYSA-N 0 0 222.288 2.209 10 30 BEEERN COC(=O)c1cc(Cl)c(C#N)cc1C ZINC000238357078 345028957 /nfs/dbraw/zinc/02/89/57/345028957.db2.gz WZWITQRNLSPYBI-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN COC(=O)c1ccc(C#N)c(F)c1Cl ZINC000238381315 345036109 /nfs/dbraw/zinc/03/61/09/345036109.db2.gz VTGSMQFGEJDBFO-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN N#CCc1ccc(F)cc1OC(F)F ZINC000238525896 345069793 /nfs/dbraw/zinc/06/97/93/345069793.db2.gz SVKZQMAIJPBREX-UHFFFAOYSA-N 0 0 201.147 2.493 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)cn1 ZINC000238534389 345072104 /nfs/dbraw/zinc/07/21/04/345072104.db2.gz BQNPJUINBAFMGO-UHFFFAOYSA-N 0 0 202.135 2.046 10 30 BEEERN N#CCc1cccc(O)c1C(F)(F)F ZINC000238723964 345120937 /nfs/dbraw/zinc/12/09/37/345120937.db2.gz LVXUUZLAIFIVFY-UHFFFAOYSA-N 0 0 201.147 2.477 10 30 BEEERN COC(=O)c1ccc(C#CC(F)(F)F)cc1 ZINC000145475648 345137255 /nfs/dbraw/zinc/13/72/55/345137255.db2.gz PUNZYJSNODUFHK-UHFFFAOYSA-N 0 0 228.169 2.387 10 30 BEEERN C#CCOc1nc(NC)c(Cl)cc1Cl ZINC000226624640 345234847 /nfs/dbraw/zinc/23/48/47/345234847.db2.gz OAAPDURXULOVSQ-UHFFFAOYSA-N 0 0 231.082 2.442 10 30 BEEERN COc1cc(CC#N)cnc1OC(F)(F)F ZINC000390226049 345295146 /nfs/dbraw/zinc/29/51/46/345295146.db2.gz AZUNKUJWIHUFCM-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN C=C(Cl)CNc1nc(Cl)nnc1Cl ZINC000229315883 345503195 /nfs/dbraw/zinc/50/31/95/345503195.db2.gz NXACCIYBDKYQJI-UHFFFAOYSA-N 0 0 239.493 2.343 10 30 BEEERN CC[C@](C)(C#N)C(=O)N(C)Cc1ccc(C)o1 ZINC000136190957 345486379 /nfs/dbraw/zinc/48/63/79/345486379.db2.gz SLWPMZAQKXTOKR-CYBMUJFWSA-N 0 0 234.299 2.486 10 30 BEEERN Cc1cc(Nc2cccc(F)c2C#N)nn1C ZINC000092826103 345644796 /nfs/dbraw/zinc/64/47/96/345644796.db2.gz VFNXRDAFQHFFMO-UHFFFAOYSA-N 0 0 230.246 2.483 10 30 BEEERN C=CCOc1ccc(OC)cc1C(=O)OC ZINC000114300560 345756758 /nfs/dbraw/zinc/75/67/58/345756758.db2.gz ADTRVLWYZDBOEQ-UHFFFAOYSA-N 0 0 222.240 2.047 10 30 BEEERN CC(C)COCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000158871234 345715658 /nfs/dbraw/zinc/71/56/58/345715658.db2.gz VRHSJJOVDFVSLT-OLZOCXBDSA-N 0 0 224.348 2.331 10 30 BEEERN CC#CCNC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000135398054 345771567 /nfs/dbraw/zinc/77/15/67/345771567.db2.gz BCXAPUJPKQUCNC-SMDDNHRTSA-N 0 0 242.322 2.242 10 30 BEEERN CC#CCNC(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000135398089 345771587 /nfs/dbraw/zinc/77/15/87/345771587.db2.gz BCXAPUJPKQUCNC-BXUZGUMPSA-N 0 0 242.322 2.242 10 30 BEEERN CC(C)OC(=O)N1C=CC(=O)C[C@@H]1C(C)C ZINC000141305653 345841728 /nfs/dbraw/zinc/84/17/28/345841728.db2.gz DUDXPSUNOWHZAA-LLVKDONJSA-N 0 0 225.288 2.345 10 30 BEEERN O[C@@H](C#Cc1cccnc1)c1ccccc1 ZINC000140078951 345850787 /nfs/dbraw/zinc/85/07/87/345850787.db2.gz KUVJLZSPQPYDSW-AWEZNQCLSA-N 0 0 209.248 2.167 10 30 BEEERN C[C@H](c1cccc2ncccc21)[C@H](N)C#N ZINC000142214996 345862554 /nfs/dbraw/zinc/86/25/54/345862554.db2.gz UPYLDIMOPBXFJE-BXKDBHETSA-N 0 0 211.268 2.189 10 30 BEEERN CCOC(=O)[C@](C)(C#N)c1cccc(OC)c1 ZINC000034457708 345834118 /nfs/dbraw/zinc/83/41/18/345834118.db2.gz UDMBRDANTIEWLY-CYBMUJFWSA-N 0 0 233.267 2.040 10 30 BEEERN C=C[C@]1(C)Nc2ccc(OC)cc2C1=O ZINC000221125140 345863412 /nfs/dbraw/zinc/86/34/12/345863412.db2.gz DMAFYKFFYNHQKB-LBPRGKRZSA-N 0 0 203.241 2.248 10 30 BEEERN C#CCCOc1nc(C)nc(Cl)c1C ZINC000235789178 345869633 /nfs/dbraw/zinc/86/96/33/345869633.db2.gz PTUVJDZCGYPYHB-UHFFFAOYSA-N 0 0 210.664 2.149 10 30 BEEERN C=CC1(C(=O)OCC)CCC2(CC1)OCCO2 ZINC000091351855 187360333 /nfs/dbraw/zinc/36/03/33/187360333.db2.gz FNOIWMQHCXPXNX-UHFFFAOYSA-N 0 0 240.299 2.039 10 30 BEEERN C=C1CC[C@H]2C(=C)CC[C@@]3(O)C(=C)C(=O)O[C@@H]3[C@@H]12 ZINC000000898586 290762852 /nfs/dbraw/zinc/76/28/52/290762852.db2.gz ZTYPRVNFNKGSDK-RMRHIDDWSA-N 0 0 246.306 2.132 10 30 biogenic,in-vitro BEEERN CCOC(=O)C([N+]#N)=C([O-])c1ccc(OC)cc1 ZINC000142853493 345877457 /nfs/dbraw/zinc/87/74/57/345877457.db2.gz PIFDUWXNSZNWSP-UHFFFAOYSA-O 0 0 249.246 2.495 10 30 BEEERN C[C@H]1C[C@@H](C(=O)N(CC#N)CC#N)CC(C)(C)C1 ZINC000180623412 345925777 /nfs/dbraw/zinc/92/57/77/345925777.db2.gz XBMWMARYFCYBBC-NWDGAFQWSA-N 0 0 247.342 2.325 10 30 BEEERN Cc1ncnc(C)c1-c1ccc(O)cc1C#N ZINC000144842073 345926021 /nfs/dbraw/zinc/92/60/21/345926021.db2.gz OYAKPQGKCBUDDM-UHFFFAOYSA-N 0 0 225.251 2.338 10 30 BEEERN C=CCCC[C@H](C)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000182580717 345936164 /nfs/dbraw/zinc/93/61/64/345936164.db2.gz SLNNRLRHQNDZAZ-SDDRHHMPSA-N 0 0 225.332 2.415 10 30 BEEERN C[C@H]1C[C@H](C(=O)NCC#N)CC(C)(C)C1 ZINC000184209465 345940886 /nfs/dbraw/zinc/94/08/86/345940886.db2.gz VQNFBNKUSPOLMU-UWVGGRQHSA-N 0 0 208.305 2.089 10 30 BEEERN CN(C)/C=C/C(=O)[C@@H]1CC2CCC1CC2 ZINC000307647183 537924480 /nfs/dbraw/zinc/92/44/80/537924480.db2.gz NJGHHPJXUNIBAS-MITSYUJOSA-N 0 0 207.317 2.457 10 30 BEEERN C#CCc1ccc(I)cc1 ZINC000095762404 187361960 /nfs/dbraw/zinc/36/19/60/187361960.db2.gz VRMVEGOLZAXZJA-UHFFFAOYSA-N 0 0 242.059 2.467 10 30 BEEERN C=CCOc1ccc(OC[C@@H]2CO2)cc1 ZINC000006744761 187363615 /nfs/dbraw/zinc/36/36/15/187363615.db2.gz DFBHOGPZPXMYJJ-GFCCVEGCSA-N 0 0 206.241 2.029 10 30 BEEERN C=CCn1nc(-c2cccnc2)[nH]c1=S ZINC000006158521 187364032 /nfs/dbraw/zinc/36/40/32/187364032.db2.gz ZHLFRZCMJKSENG-UHFFFAOYSA-N 0 0 218.285 2.189 10 30 BEEERN N#CCCN[C@@H]1CCOc2ccccc21 ZINC000020199998 187315084 /nfs/dbraw/zinc/31/50/84/187315084.db2.gz GIYJJAUWFLRRKT-LLVKDONJSA-N 0 0 202.257 2.013 10 30 BEEERN C[C@H]1CCC[C@H]1C(=O)NCC1(CC#N)CC1 ZINC000404262840 229553415 /nfs/dbraw/zinc/55/34/15/229553415.db2.gz SPXDBFAISHYGSV-WDEREUQCSA-N 0 0 220.316 2.233 10 30 BEEERN C[C@H]1Cc2nc(N)c(C#N)cc2[C@@H](C)C1 ZINC000082831380 537943254 /nfs/dbraw/zinc/94/32/54/537943254.db2.gz RVELBHTWMMPHKQ-SFYZADRCSA-N 0 0 201.273 2.221 10 30 BEEERN C=CCN[C@H](C#N)c1ccccc1OC ZINC000019989654 187315517 /nfs/dbraw/zinc/31/55/17/187315517.db2.gz MNBHSNRTCHWHOW-LLVKDONJSA-N 0 0 202.257 2.035 10 30 BEEERN C#C[C@@H](NN)c1cc(Cl)sc1Cl ZINC000236177691 346204895 /nfs/dbraw/zinc/20/48/95/346204895.db2.gz ABXJBAYPBFWUHM-RXMQYKEDSA-N 0 0 221.112 2.193 10 30 BEEERN N#Cc1ccccc1Sc1ncc[nH]1 ZINC000236194191 346206086 /nfs/dbraw/zinc/20/60/86/346206086.db2.gz DORBWGVQWVYQFY-UHFFFAOYSA-N 0 0 201.254 2.433 10 30 BEEERN COC(=O)CCCCC(=O)c1ccc(C#N)cc1 ZINC000167110724 346193199 /nfs/dbraw/zinc/19/31/99/346193199.db2.gz SVVCPXCUBZVTEY-UHFFFAOYSA-N 0 0 245.278 2.474 10 30 BEEERN Cc1cccc(C(=O)N2CCC[C@@H]2C#N)c1 ZINC000057497080 179008903 /nfs/dbraw/zinc/00/89/03/179008903.db2.gz JHVYZKALWWKBTO-GFCCVEGCSA-N 0 0 214.268 2.123 10 30 BEEERN N#C[C@@]1(N)CCc2c1cccc2Br ZINC000236336944 346226428 /nfs/dbraw/zinc/22/64/28/346226428.db2.gz XFSXEOBTHQUPQI-JTQLQIEISA-N 0 0 237.100 2.073 10 30 BEEERN N#Cc1ccc(C2N=NC(=S)S2)s1 ZINC000236610188 346258568 /nfs/dbraw/zinc/25/85/68/346258568.db2.gz YVIWXRUGDIZNHM-UHFFFAOYSA-N 0 0 225.323 2.427 10 30 BEEERN Cc1cnccc1C(=O)C1=CCCCO1 ZINC000167525213 346261505 /nfs/dbraw/zinc/26/15/05/346261505.db2.gz NARQTXXGPMXMND-UHFFFAOYSA-N 0 0 203.241 2.267 10 30 BEEERN C=C[C@H](CC)c1cc2n(c(=O)c1O)CCC2 ZINC000039098134 187318402 /nfs/dbraw/zinc/31/84/02/187318402.db2.gz KMEYIWYSRCKODB-SECBINFHSA-N 0 0 219.284 2.180 10 30 BEEERN C#CC[C@@H](O)[C@@H]1Cc2ccccc2S1 ZINC000162202114 346514841 /nfs/dbraw/zinc/51/48/41/346514841.db2.gz AFKJJVACIBXIRW-PWSUYJOCSA-N 0 0 204.294 2.088 10 30 BEEERN Cc1cccc(CN[C@H]2CCC[C@H]2C#N)n1 ZINC000054829144 179101853 /nfs/dbraw/zinc/10/18/53/179101853.db2.gz NFARZPDPJUAWSB-AAEUAGOBSA-N 0 0 215.300 2.172 10 30 BEEERN Cc1cccc(N(C)C[C@]2(C=O)CCCOC2)c1 ZINC000104324882 179116305 /nfs/dbraw/zinc/11/63/05/179116305.db2.gz HFNYUZXTWPJKML-HNNXBMFYSA-N 0 0 247.338 2.427 10 30 BEEERN C[C@H]1C[C@@H](OS(C)(=O)=O)CC(C)(C)C1 ZINC000163977582 346585055 /nfs/dbraw/zinc/58/50/55/346585055.db2.gz FUUVWDWLUGXHNY-DTWKUNHWSA-N 0 0 220.334 2.177 10 30 BEEERN C[C@H]1C[C@H](OS(C)(=O)=O)CC(C)(C)C1 ZINC000163977393 346585155 /nfs/dbraw/zinc/58/51/55/346585155.db2.gz FUUVWDWLUGXHNY-IUCAKERBSA-N 0 0 220.334 2.177 10 30 BEEERN Cc1cnc([C@H](C)N[C@H]2CC[C@H](C#N)C2)o1 ZINC000309579441 347108283 /nfs/dbraw/zinc/10/82/83/347108283.db2.gz PYQVZESFLQRENQ-DCAQKATOSA-N 0 0 219.288 2.326 10 30 BEEERN Cc1cccc(OCCN2CCCC[C@@H]2C=O)c1 ZINC000054238512 179167121 /nfs/dbraw/zinc/16/71/21/179167121.db2.gz CARYYTSAHBZVKK-CQSZACIVSA-N 0 0 247.338 2.427 10 30 BEEERN COC(=O)CCCC[C@@H]1O[C@@H]1c1cccnc1 ZINC000038868555 347168611 /nfs/dbraw/zinc/16/86/11/347168611.db2.gz IBYPRHCBTKBJKL-WCQYABFASA-N 0 0 235.283 2.255 10 30 BEEERN Cc1cccc(SCC[C@@H](N)C#N)c1 ZINC000062457241 179177725 /nfs/dbraw/zinc/17/77/25/179177725.db2.gz JZIRALYMVHQZHE-SNVBAGLBSA-N 0 0 206.314 2.328 10 30 BEEERN N#Cc1cccc(-c2ccccc(=O)c2O)c1 ZINC000039150160 347181200 /nfs/dbraw/zinc/18/12/00/347181200.db2.gz XJNDREBFHWQGQU-UHFFFAOYSA-N 0 0 223.231 2.291 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)nc1C ZINC000318818098 347213340 /nfs/dbraw/zinc/21/33/40/347213340.db2.gz VLHUJXMYAXQKCY-RYUDHWBXSA-N 0 0 243.310 2.121 10 30 BEEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1CCC[C@H]1C ZINC000300240762 136731431 /nfs/dbraw/zinc/73/14/31/136731431.db2.gz WKDOTHZPAIODSD-GMTAPVOTSA-N 0 0 208.305 2.183 10 30 BEEERN Cn1cc([C@@H]2CCC[N@@H+]2CCC(C)(C)C#N)cn1 ZINC000119911093 347313540 /nfs/dbraw/zinc/31/35/40/347313540.db2.gz MCTKRYLEVHROET-ZDUSSCGKSA-N 0 0 246.358 2.497 10 30 BEEERN Cc1ccccc1C(=O)N(CC#N)C(C)C ZINC000057497665 179245911 /nfs/dbraw/zinc/24/59/11/179245911.db2.gz RQCKKSIWPHQQIV-UHFFFAOYSA-N 0 0 216.284 2.369 10 30 BEEERN Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061889181 179251335 /nfs/dbraw/zinc/25/13/35/179251335.db2.gz AFYMRLOYEZGVST-WCQYABFASA-N 0 0 228.295 2.417 10 30 BEEERN CC1(C)CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000334535168 133690185 /nfs/dbraw/zinc/69/01/85/133690185.db2.gz IWGKUSBWRSLNDE-GHMZBOCLSA-N 0 0 235.331 2.120 10 30 BEEERN Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)cc(C#N)n1 ZINC000591992021 347721415 /nfs/dbraw/zinc/72/14/15/347721415.db2.gz ZYMBYKXXQPPWFV-ZLKJLUDKSA-N 0 0 227.311 2.284 10 30 BEEERN N#CC1(C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)CCCC1 ZINC000592713949 347808839 /nfs/dbraw/zinc/80/88/39/347808839.db2.gz CHSYUBKHECYXTM-QJPTWQEYSA-N 0 0 232.327 2.375 10 30 BEEERN Cc1cccc(C)c1SC(=O)/C=C/CO ZINC000200402615 347809997 /nfs/dbraw/zinc/80/99/97/347809997.db2.gz ZZPPJRJEHIVWQY-QPJJXVBHSA-N 0 0 222.309 2.471 10 30 BEEERN Cc1ccccc1Cc1nc(CC#N)no1 ZINC000073641412 179292620 /nfs/dbraw/zinc/29/26/20/179292620.db2.gz OCQJTAPCSPARLZ-UHFFFAOYSA-N 0 0 213.240 2.035 10 30 BEEERN Cc1ccccc1N[C@H](C#N)c1cnn(C)c1 ZINC000037938075 179307455 /nfs/dbraw/zinc/30/74/55/179307455.db2.gz FWNHHAYEHLAUGE-CYBMUJFWSA-N 0 0 226.283 2.405 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1N1CCSCC1 ZINC000037146696 348023920 /nfs/dbraw/zinc/02/39/20/348023920.db2.gz PYMIGPRWIUXLFW-QWRGUYRKSA-N 0 0 210.346 2.118 10 30 BEEERN C=CCOc1cc2c(cc1OCOC)CCO2 ZINC000196825648 348030018 /nfs/dbraw/zinc/03/00/18/348030018.db2.gz NDLRRCFIBNKMQA-UHFFFAOYSA-N 0 0 236.267 2.169 10 30 BEEERN C=C(C)C(=O)NC[C@H]1CCNc2ccccc21 ZINC000616570401 348065501 /nfs/dbraw/zinc/06/55/01/348065501.db2.gz FYSKJDMZSBUKNN-LLVKDONJSA-N 0 0 230.311 2.278 10 30 BEEERN N#Cc1c(N)[nH]cc1-c1c(F)cccc1F ZINC000725244435 537997837 /nfs/dbraw/zinc/99/78/37/537997837.db2.gz PUVUGSDNUNLYEP-UHFFFAOYSA-N 0 0 219.194 2.414 10 30 BEEERN C=CCSCCNc1nccnc1CCC ZINC000596094200 348444875 /nfs/dbraw/zinc/44/48/75/348444875.db2.gz JRBHWZABRFDKBL-UHFFFAOYSA-N 0 0 237.372 2.182 10 30 BEEERN Cc1cc(N2C[C@@H]3CCC[C@H]32)c(C#N)cn1 ZINC000335094075 133762804 /nfs/dbraw/zinc/76/28/04/133762804.db2.gz NKHCQGZTLYYADG-CMPLNLGQSA-N 0 0 213.284 2.250 10 30 BEEERN CCc1nccn1CC#Cc1ccccc1 ZINC000111550818 348743854 /nfs/dbraw/zinc/74/38/54/348743854.db2.gz CTMOLWLCGBGXLJ-UHFFFAOYSA-N 0 0 210.280 2.497 10 30 BEEERN Cc1c(N)cnn1[C@@H](C)CC(C)(C)C#N ZINC000725249390 538019207 /nfs/dbraw/zinc/01/92/07/538019207.db2.gz IWIQOTFFRZWXLP-QMMMGPOBSA-N 0 0 206.293 2.275 10 30 BEEERN CC(=O)Nc1ccc(S[C@H](C)C=O)cc1 ZINC000616573713 349072314 /nfs/dbraw/zinc/07/23/14/349072314.db2.gz UBALIVGNAFBXNA-MRVPVSSYSA-N 0 0 223.297 2.325 10 30 BEEERN C[C@@H](C=O)Sc1cccc([N+](=O)[O-])c1 ZINC000616573934 349073736 /nfs/dbraw/zinc/07/37/36/349073736.db2.gz VJFXTZHEPMRDFC-ZETCQYMHSA-N 0 0 211.242 2.274 10 30 BEEERN Cc1csc(N=NCc2cccc(F)c2)n1 ZINC000033377198 179761016 /nfs/dbraw/zinc/76/10/16/179761016.db2.gz RUDUBXZQUDKZAZ-MLPAPPSSSA-N 0 0 235.287 2.459 10 30 BEEERN Cc1ccc(CN2[C@H](C)COC[C@H]2C)cc1C#N ZINC000599298964 349140002 /nfs/dbraw/zinc/14/00/02/349140002.db2.gz CANLPONWWQAJBE-CHWSQXEVSA-N 0 0 244.338 2.476 10 30 BEEERN Cc1ccc(CN2[C@@H](C)COC[C@@H]2C)cc1C#N ZINC000599298965 349140531 /nfs/dbraw/zinc/14/05/31/349140531.db2.gz CANLPONWWQAJBE-STQMWFEESA-N 0 0 244.338 2.476 10 30 BEEERN CS(=O)(=O)OCCCCc1cccs1 ZINC000199529776 349246910 /nfs/dbraw/zinc/24/69/10/349246910.db2.gz WKAIUCWRSSBDPQ-UHFFFAOYSA-N 0 0 234.342 2.047 10 30 BEEERN N#Cc1nc2c(ccc3ccccc32)oc1=O ZINC000211381850 349268641 /nfs/dbraw/zinc/26/86/41/349268641.db2.gz LFDIHCBOXGEXBO-UHFFFAOYSA-N 0 0 222.203 2.213 10 30 BEEERN CCOC(C#C[C@@H]1CCCCC1=O)OCC ZINC000725254156 538042873 /nfs/dbraw/zinc/04/28/73/538042873.db2.gz OGYIOQXBCJVVTR-NSHDSACASA-N 0 0 224.300 2.148 10 30 BEEERN CCOC(=O)[C@](CCC#N)(OC)c1ccccc1 ZINC000256174563 349384382 /nfs/dbraw/zinc/38/43/82/349384382.db2.gz OZBJJWQTWSHDNV-CQSZACIVSA-N 0 0 247.294 2.395 10 30 BEEERN CCOC(=O)[C@@](CCC#N)(OC)c1ccccc1 ZINC000256174559 349384528 /nfs/dbraw/zinc/38/45/28/349384528.db2.gz OZBJJWQTWSHDNV-AWEZNQCLSA-N 0 0 247.294 2.395 10 30 BEEERN CC#CCC(=O)Cc1cc(F)cc(F)c1 ZINC000051664610 350022019 /nfs/dbraw/zinc/02/20/19/350022019.db2.gz OIZQHXDYWHNJHH-UHFFFAOYSA-N 0 0 208.207 2.490 10 30 BEEERN Cc1nc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC000083306634 179986655 /nfs/dbraw/zinc/98/66/55/179986655.db2.gz ZNVHXEPQBRSZDE-UHFFFAOYSA-N 0 0 221.569 2.329 10 30 BEEERN COCC[C@@H](C#N)c1cnc(C(F)(F)F)nc1 ZINC000217353835 350051468 /nfs/dbraw/zinc/05/14/68/350051468.db2.gz XMXWFCOEDOFNHN-ZETCQYMHSA-N 0 0 245.204 2.139 10 30 BEEERN N#C[C@@]1(c2ccccc2)CCCCCNC1=O ZINC000038763973 350111744 /nfs/dbraw/zinc/11/17/44/350111744.db2.gz IBKDTUGXELUGRT-CQSZACIVSA-N 0 0 228.295 2.138 10 30 BEEERN N#Cc1ccc([S@](=N)(=O)C(F)(F)F)cc1 ZINC000218514218 350094998 /nfs/dbraw/zinc/09/49/98/350094998.db2.gz UNNVKBBGASZHOB-HNNXBMFYSA-N 0 0 234.202 2.484 10 30 BEEERN Cc1nc([C@@H](C)NC[C@H](C)C#N)cs1 ZINC000054180880 180037876 /nfs/dbraw/zinc/03/78/76/180037876.db2.gz QUXNUKKKQSCVEZ-HTQZYQBOSA-N 0 0 209.318 2.262 10 30 BEEERN C#CC[C@@H](O[C@H]1CCCCO1)[C@@H](C)[C@@H](O)C=C ZINC000039077053 350115087 /nfs/dbraw/zinc/11/50/87/350115087.db2.gz NZQSSDFMYCVZEN-FQUUOJAGSA-N 0 0 238.327 2.105 10 30 BEEERN Cc1nc2c(Br)cccn2c1C#N ZINC000036244350 180060535 /nfs/dbraw/zinc/06/05/35/180060535.db2.gz HZMVWISCSUMLNW-UHFFFAOYSA-N 0 0 236.072 2.277 10 30 BEEERN N#CCC1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000397196723 350130173 /nfs/dbraw/zinc/13/01/73/350130173.db2.gz SBIOAMGQYPRDOQ-CLLJXQQHSA-N 0 0 232.327 2.185 10 30 BEEERN CC#CCC(=O)[C@@H]1COc2ccccc21 ZINC000128792861 350145688 /nfs/dbraw/zinc/14/56/88/350145688.db2.gz XHHCLJRPHTVOKE-LLVKDONJSA-N 0 0 200.237 2.145 10 30 BEEERN Cc1cccc(C2(C(=O)N[C@H](C)C#N)CCC2)c1 ZINC000604543906 350146170 /nfs/dbraw/zinc/14/61/70/350146170.db2.gz UCVANBUOVFPVDR-GFCCVEGCSA-N 0 0 242.322 2.445 10 30 BEEERN COc1cccc([C@@]2(C=O)C[C@@H](F)C2)c1 ZINC000725259065 538078700 /nfs/dbraw/zinc/07/87/00/538078700.db2.gz WFHFMCSOVBPVPP-KLPPZKSPSA-N 0 0 208.232 2.264 10 30 BEEERN Cc1nccn1CCNc1ccccc1C#N ZINC000049329876 180262205 /nfs/dbraw/zinc/26/22/05/180262205.db2.gz WTBPROXCTZLRHF-UHFFFAOYSA-N 0 0 226.283 2.175 10 30 BEEERN Cc1nn(-c2cccc(C#N)c2)c(C)c1C=O ZINC000035779170 180329327 /nfs/dbraw/zinc/32/93/27/180329327.db2.gz OMSFCXNLOPILCI-UHFFFAOYSA-N 0 0 225.251 2.173 10 30 BEEERN Cc1nn(C)c(C)c1[C@H](C#N)NC1CCCC1 ZINC000037968566 180348969 /nfs/dbraw/zinc/34/89/69/180348969.db2.gz DTLAJXVEMANZOI-LBPRGKRZSA-N 0 0 232.331 2.134 10 30 BEEERN Cc1nn(C)c(OCCC(C)C)c1C#N ZINC000104312460 180360344 /nfs/dbraw/zinc/36/03/44/180360344.db2.gz GDAGYDKHWGJPJL-UHFFFAOYSA-N 0 0 207.277 2.025 10 30 BEEERN C[C@@H]1CCC[C@@H](C)[NH+]1C1CC(C#CC(=O)[O-])C1 ZINC000725265100 538093437 /nfs/dbraw/zinc/09/34/37/538093437.db2.gz FNMFRNZUBPCOQM-OKZRHMCRSA-N 0 0 235.327 2.116 10 30 BEEERN N#Cc1cc(C(F)(F)F)nn1C(F)F ZINC000409443418 350483148 /nfs/dbraw/zinc/48/31/48/350483148.db2.gz MNVNIUGZYPGAOE-UHFFFAOYSA-N 0 0 211.093 2.169 10 30 BEEERN Cc1nn2c(C#N)c(C(C)C)nc2s1 ZINC000062395671 180393426 /nfs/dbraw/zinc/39/34/26/180393426.db2.gz JUQANDXLHPBHKF-UHFFFAOYSA-N 0 0 206.274 2.094 10 30 BEEERN C=CCNc1ccc(C)cc1C(=O)OC ZINC000039085569 350604616 /nfs/dbraw/zinc/60/46/16/350604616.db2.gz ARJMEILVAIJOSW-UHFFFAOYSA-N 0 0 205.257 2.380 10 30 BEEERN COCCN(C)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000041281023 350616217 /nfs/dbraw/zinc/61/62/17/350616217.db2.gz GYUUYSRFGAFKHD-LBPRGKRZSA-N 0 0 238.718 2.483 10 30 BEEERN Cc1cnc(CN[C@H]2CCCC[C@H]2C#N)o1 ZINC000231650740 350632764 /nfs/dbraw/zinc/63/27/64/350632764.db2.gz LGXNHIQDOWZBTG-QWRGUYRKSA-N 0 0 219.288 2.155 10 30 BEEERN Cc1cnc(CN[C@H]2CCC[C@H]2C#N)s1 ZINC000334508883 350674700 /nfs/dbraw/zinc/67/47/00/350674700.db2.gz LDQREVXODRJMSV-UWVGGRQHSA-N 0 0 221.329 2.233 10 30 BEEERN Cc1c(CC#N)cncc1OC(F)(F)F ZINC000238445523 350767226 /nfs/dbraw/zinc/76/72/26/350767226.db2.gz VKDZFVOJMCDDSB-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN COC(=O)N1CCC[C@@H]1c1cccc(C#N)c1 ZINC000616606526 350798029 /nfs/dbraw/zinc/79/80/29/350798029.db2.gz AAHFTUJHOUJLEZ-GFCCVEGCSA-N 0 0 230.267 2.462 10 30 BEEERN C[C@@H]1N(Cc2ccccc2)CC[C@]1(C#N)N(C)C ZINC000306674765 350823734 /nfs/dbraw/zinc/82/37/34/350823734.db2.gz RCFULLBMPNJIFF-DZGCQCFKSA-N 0 0 243.354 2.105 10 30 BEEERN O=C[C@@]1(CC2CC(F)(F)C2)CCOC1 ZINC000306722234 350889397 /nfs/dbraw/zinc/88/93/97/350889397.db2.gz FLZYFIAJGXQDIQ-VIFPVBQESA-N 0 0 204.216 2.027 10 30 BEEERN O=C[C@@]1(Cc2nccs2)CCCS1 ZINC000306724145 350892119 /nfs/dbraw/zinc/89/21/19/350892119.db2.gz IDUPYGBPDSCMJJ-VIFPVBQESA-N 0 0 213.327 2.150 10 30 BEEERN CC(C)(C)[S@](=O)/N=C/c1ccccc1O ZINC000382597912 350892226 /nfs/dbraw/zinc/89/22/26/350892226.db2.gz MOWIZXKSUZMFEG-JQVXPOPVSA-N 0 0 225.313 2.273 10 30 BEEERN C#Cc1cn2cc(Br)ccc2n1 ZINC000159731613 350989400 /nfs/dbraw/zinc/98/94/00/350989400.db2.gz MGJBWYVZEVMDJT-UHFFFAOYSA-N 0 0 221.057 2.078 10 30 BEEERN Cc1ncc(CN[C@H]2CCCC[C@@H]2C#N)o1 ZINC000397939549 350993814 /nfs/dbraw/zinc/99/38/14/350993814.db2.gz ZAIJTTYHQUCHIF-PWSUYJOCSA-N 0 0 219.288 2.155 10 30 BEEERN C=C[C@H](C)n1cc(Br)c([N+](=O)[O-])n1 ZINC000052144527 350955791 /nfs/dbraw/zinc/95/57/91/350955791.db2.gz DUDYYNCNLJMUDC-YFKPBYRVSA-N 0 0 246.064 2.301 10 30 BEEERN C[C@H](N[C@@H]1CCCC[C@H]1C#N)c1csnn1 ZINC000398226840 351016242 /nfs/dbraw/zinc/01/62/42/351016242.db2.gz FWDFCPDHDJGAPN-LPEHRKFASA-N 0 0 236.344 2.271 10 30 BEEERN Cc1nc(CN[C@H]2CCCC[C@H]2C#N)oc1C ZINC000231654443 351035465 /nfs/dbraw/zinc/03/54/65/351035465.db2.gz NQJMIQXCDXKIRL-RYUDHWBXSA-N 0 0 233.315 2.463 10 30 BEEERN CCOC(=O)C12CCC(C#N)(CC1)CC2 ZINC000222833735 351038019 /nfs/dbraw/zinc/03/80/19/351038019.db2.gz GFMRPRODHCVQRJ-UHFFFAOYSA-N 0 0 207.273 2.414 10 30 BEEERN CO[C@@H]1CCCC[C@@]12CC[C@@](C)(C=O)O2 ZINC000306808591 351061135 /nfs/dbraw/zinc/06/11/35/351061135.db2.gz PODABDMBHCWMPA-GRYCIOLGSA-N 0 0 212.289 2.082 10 30 BEEERN N#Cc1cccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000159849633 351013153 /nfs/dbraw/zinc/01/31/53/351013153.db2.gz NCGWMVMFRISSFD-UHFFFAOYSA-N 0 0 227.223 2.316 10 30 BEEERN C=C(Br)C[NH2+][C@H]1CSC1(C)C ZINC000306841090 351156673 /nfs/dbraw/zinc/15/66/73/351156673.db2.gz DKAKECFZDXJNKU-ZETCQYMHSA-N 0 0 236.178 2.379 10 30 BEEERN C[C@H](CC#N)N(C)c1ncccc1Cl ZINC000063096287 351139952 /nfs/dbraw/zinc/13/99/52/351139952.db2.gz MYBNLMXCMOFECO-MRVPVSSYSA-N 0 0 209.680 2.473 10 30 BEEERN C=C(Cl)CN1CCC(=O)[C@@H](C)[C@@H]1C ZINC000167975749 351142377 /nfs/dbraw/zinc/14/23/77/351142377.db2.gz HINGPCBYMRNUAF-IUCAKERBSA-N 0 0 201.697 2.038 10 30 BEEERN N#Cc1cc(CO)c(F)cc1C(F)(F)F ZINC000142065041 351311249 /nfs/dbraw/zinc/31/12/49/351311249.db2.gz GDQZGRPLHMWTMX-UHFFFAOYSA-N 0 0 219.137 2.208 10 30 BEEERN Cc1cnc([C@H](C)Nc2ccnc(C#N)c2)o1 ZINC000231745074 351277483 /nfs/dbraw/zinc/27/74/83/351277483.db2.gz KVYNKFLBWJFIOU-VIFPVBQESA-N 0 0 228.255 2.423 10 30 BEEERN C=C(Br)CN1CCC(=O)[C@@H](C)[C@H]1C ZINC000168319459 351375603 /nfs/dbraw/zinc/37/56/03/351375603.db2.gz RQLJJAGYMGOYHU-DTWKUNHWSA-N 0 0 246.148 2.194 10 30 BEEERN C=C(C)[C@@H](O)c1ccncc1Br ZINC000307033176 351432479 /nfs/dbraw/zinc/43/24/79/351432479.db2.gz RCGMPFZVVIKXFJ-SECBINFHSA-N 0 0 228.089 2.454 10 30 BEEERN C[C@H](CC#N)[NH2+][C@H](C)COCc1ccccc1 ZINC000307032284 351432864 /nfs/dbraw/zinc/43/28/64/351432864.db2.gz PZKJZDCLWYEZCQ-CHWSQXEVSA-N 0 0 232.327 2.483 10 30 BEEERN Cc1ccc(N)c(C(=O)C2=COCC2)c1 ZINC000307063520 351460779 /nfs/dbraw/zinc/46/07/79/351460779.db2.gz POTQGVDOTMEQFP-UHFFFAOYSA-N 0 0 203.241 2.064 10 30 BEEERN COC(=O)c1cc(Cl)cc(C#N)c1F ZINC000307020010 351424709 /nfs/dbraw/zinc/42/47/09/351424709.db2.gz ZBBHTGFDJRYXEI-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN CN(O)C(=O)c1cc(Br)ccc1F ZINC000307129587 351492891 /nfs/dbraw/zinc/49/28/91/351492891.db2.gz QBWZWMHOLMOBDI-UHFFFAOYSA-N 0 0 248.051 2.049 10 30 BEEERN C=CC(=O)c1nscc1Br ZINC000404769185 363066507 /nfs/dbraw/zinc/06/65/07/363066507.db2.gz OSGQPRLZOZVXJX-UHFFFAOYSA-N 0 0 218.075 2.274 10 30 BEEERN CCCCC1CC(C=O)(C(=O)OCC)C1 ZINC000606302125 351553674 /nfs/dbraw/zinc/55/36/74/351553674.db2.gz CPOCEIHYSOEFJW-UHFFFAOYSA-N 0 0 212.289 2.335 10 30 BEEERN O=CC1CC(OCc2ccc(F)cc2)C1 ZINC000606302192 351556584 /nfs/dbraw/zinc/55/65/84/351556584.db2.gz HKZFQAIMNFOYFY-UHFFFAOYSA-N 0 0 208.232 2.320 10 30 BEEERN C[C@]1(C=O)CC[C@@]2(CCOC(C)(C)C2)O1 ZINC000307228356 351675947 /nfs/dbraw/zinc/67/59/47/351675947.db2.gz HWLRJPUGHMLOSI-NEPJUHHUSA-N 0 0 212.289 2.082 10 30 BEEERN N#C[C@]1(NCc2ccccc2)CC[C@H]2C[C@H]21 ZINC000307249860 351755907 /nfs/dbraw/zinc/75/59/07/351755907.db2.gz KMYYJGOIGCIZCJ-BFHYXJOUSA-N 0 0 212.296 2.468 10 30 BEEERN COC(=O)c1cc(C)cc(Cl)c1C#N ZINC000307275079 351829167 /nfs/dbraw/zinc/82/91/67/351829167.db2.gz PZIIAIJYFKBMPG-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN CN(O)C(=O)c1c(F)cccc1Br ZINC000307277813 351833517 /nfs/dbraw/zinc/83/35/17/351833517.db2.gz SKZCQDQRIBSISX-UHFFFAOYSA-N 0 0 248.051 2.049 10 30 BEEERN C[C@](O)(C=O)C[C@H]1CCCCC1(F)F ZINC000307303370 351927535 /nfs/dbraw/zinc/92/75/35/351927535.db2.gz BPHUIGJOYOGYGO-RKDXNWHRSA-N 0 0 206.232 2.152 10 30 BEEERN C[C@@]1(O)CC(=O)C=C(c2ccc(F)cc2)C1 ZINC000040174930 351930506 /nfs/dbraw/zinc/93/05/06/351930506.db2.gz NMJVRPHOYYBJPR-ZDUSSCGKSA-N 0 0 220.243 2.323 10 30 BEEERN CSCCC(=O)Nc1ccc(CC#N)cc1 ZINC000028438741 352012216 /nfs/dbraw/zinc/01/22/16/352012216.db2.gz CXKLJWCBELWKHP-UHFFFAOYSA-N 0 0 234.324 2.444 10 30 BEEERN COC(=O)c1ccc(F)c(Cl)c1C#N ZINC000307325687 352021165 /nfs/dbraw/zinc/02/11/65/352021165.db2.gz GTITZRXWBSYLHS-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN CC(C)C[C@H](C)Nc1ncc(N)cc1C#N ZINC000037759069 187598270 /nfs/dbraw/zinc/59/82/70/187598270.db2.gz FFJJOZKBDHPQCP-VIFPVBQESA-N 0 0 218.304 2.382 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C=O ZINC000082351867 187621046 /nfs/dbraw/zinc/62/10/46/187621046.db2.gz KNQREOBBZDSHPN-UWVGGRQHSA-N 0 0 227.304 2.269 10 30 BEEERN N#Cc1cnc(N2CCC[C@@H]2C2CCC2)cn1 ZINC000123687862 187636679 /nfs/dbraw/zinc/63/66/79/187636679.db2.gz LRAQUKACNDUGKL-GFCCVEGCSA-N 0 0 228.299 2.117 10 30 BEEERN C[C@@H]1OCC[C@@H]1NC(=O)c1c[nH]c2ncccc12 ZINC000329059807 538102953 /nfs/dbraw/zinc/10/29/53/538102953.db2.gz YVNBUKPMJDBZOA-KWQFWETISA-N 0 0 245.282 2.045 10 30 BEEERN CC(C)COCc1ccc(C#CCO)cc1F ZINC000049620942 187706193 /nfs/dbraw/zinc/70/61/93/187706193.db2.gz GYLGZQMSUKURFH-UHFFFAOYSA-N 0 0 236.286 2.342 10 30 BEEERN CC[C@H](C#N)C(=O)NCCC1CCCC1 ZINC000044823806 352435527 /nfs/dbraw/zinc/43/55/27/352435527.db2.gz WMBJITBMBNWKEG-LLVKDONJSA-N 0 0 208.305 2.233 10 30 BEEERN N#Cc1cc(N)c(F)c(C(F)(F)F)c1 ZINC000307368877 352454596 /nfs/dbraw/zinc/45/45/96/352454596.db2.gz ODEZQXJMSBHPKW-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN COc1cc(Br)cc(OC)c1C#N ZINC000307373688 352473172 /nfs/dbraw/zinc/47/31/72/352473172.db2.gz WRIUARSFQSLYSA-UHFFFAOYSA-N 0 0 242.072 2.338 10 30 BEEERN CC1=C(C)CN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000335784583 133905850 /nfs/dbraw/zinc/90/58/50/133905850.db2.gz JKGIWTFSYDGPJE-CHWSQXEVSA-N 0 0 247.342 2.430 10 30 BEEERN O=C(Cc1ccccc1)C1=COCCC1 ZINC000160004434 352552026 /nfs/dbraw/zinc/55/20/26/352552026.db2.gz CNMPTZLQGLUNLO-UHFFFAOYSA-N 0 0 202.253 2.493 10 30 BEEERN COC(=O)c1cccc([C@@H](CCC#N)OC)c1 ZINC000498036552 352570006 /nfs/dbraw/zinc/57/00/06/352570006.db2.gz PTGQQPAZNXIPRD-GFCCVEGCSA-N 0 0 233.267 2.464 10 30 BEEERN C=C(C(=O)[C@@H]1CCSC1)C(F)(F)F ZINC000307539416 352643463 /nfs/dbraw/zinc/64/34/63/352643463.db2.gz QEVOBOHBFRIRGE-ZCFIWIBFSA-N 0 0 210.220 2.427 10 30 BEEERN CC(C)(CO)Sc1ccccc1C#N ZINC000307516979 352632944 /nfs/dbraw/zinc/63/29/44/352632944.db2.gz IHHJDQJBGFOFGS-UHFFFAOYSA-N 0 0 207.298 2.421 10 30 BEEERN C=CCC(=O)Nc1ccc(Br)nc1 ZINC000232474620 352739580 /nfs/dbraw/zinc/73/95/80/352739580.db2.gz WDZKGAUKYOQCGU-UHFFFAOYSA-N 0 0 241.088 2.359 10 30 BEEERN Cn1nc2ccc(Br)cc2c1C#N ZINC000075847250 180809832 /nfs/dbraw/zinc/80/98/32/180809832.db2.gz XIAJAEATGYIFMM-UHFFFAOYSA-N 0 0 236.072 2.207 10 30 BEEERN C[C@@H](CCC(C)(C)C)OS(C)(=O)=O ZINC000306601061 353029069 /nfs/dbraw/zinc/02/90/69/353029069.db2.gz JOCZJHQNMCFVBW-QMMMGPOBSA-N 0 0 208.323 2.177 10 30 BEEERN N#CCc1ccc(OCCn2ccnc2)cc1 ZINC000020253698 187936444 /nfs/dbraw/zinc/93/64/44/187936444.db2.gz PDJNLQDMVFFGRT-UHFFFAOYSA-N 0 0 227.267 2.028 10 30 BEEERN CCOc1ccccc1-c1nc(CC#N)no1 ZINC000073641330 187940487 /nfs/dbraw/zinc/94/04/87/187940487.db2.gz HUESLYNGKAVIIE-UHFFFAOYSA-N 0 0 229.239 2.201 10 30 BEEERN N#Cc1ccc([N+](=O)[O-])c(F)c1Br ZINC000307348162 353070154 /nfs/dbraw/zinc/07/01/54/353070154.db2.gz YEOHVIYBEZNIQQ-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN N#C[C@@]1(c2ccccc2F)CCCOC1 ZINC000536950641 323954449 /nfs/dbraw/zinc/95/44/49/323954449.db2.gz QIJMJWIVMMDMIR-LBPRGKRZSA-N 0 0 205.232 2.397 10 30 BEEERN N#CCCCn1cc(CO)c2ccccc21 ZINC000077009536 187965054 /nfs/dbraw/zinc/96/50/54/187965054.db2.gz UVQJQRNCLHDSSZ-UHFFFAOYSA-N 0 0 214.268 2.437 10 30 BEEERN N/C(=N\O)Nc1ccc(Cl)c(Cl)c1 ZINC000052833146 353108714 /nfs/dbraw/zinc/10/87/14/353108714.db2.gz SVCHWJRMVCMOQB-UHFFFAOYSA-N 0 0 220.059 2.109 10 30 BEEERN C=C[C@H](C)Nc1nc(Cl)nc(Cl)n1 ZINC000229319559 353110410 /nfs/dbraw/zinc/11/04/10/353110410.db2.gz JNBWFQYDLKMYTR-BYPYZUCNSA-N 0 0 219.075 2.165 10 30 BEEERN C[C@H]1SCCS[C@H]1C(=O)C1=COCCC1 ZINC000160029709 353100814 /nfs/dbraw/zinc/10/08/14/353100814.db2.gz NZZRZKSVERRVJS-LDYMZIIASA-N 0 0 244.381 2.487 10 30 BEEERN C#C[C@H](C)Nc1ccncc1Br ZINC000160058994 353124056 /nfs/dbraw/zinc/12/40/56/353124056.db2.gz VVRLJJJBXIFMOZ-ZETCQYMHSA-N 0 0 225.089 2.278 10 30 BEEERN CC(=O)C1=C(C)C2(CCCCC2)OC1=O ZINC000062721094 188014024 /nfs/dbraw/zinc/01/40/24/188014024.db2.gz GWTPLEUTHOZHRW-UHFFFAOYSA-N 0 0 208.257 2.152 10 30 BEEERN CC(C)=CC(=O)Cc1c(C)nn(C)c1Cl ZINC000232554966 353128121 /nfs/dbraw/zinc/12/81/21/353128121.db2.gz MVFXCBSRLFIABM-UHFFFAOYSA-N 0 0 226.707 2.460 10 30 BEEERN Cn1nccc1CN[C@H](CC#N)c1ccccc1 ZINC000071333795 180846670 /nfs/dbraw/zinc/84/66/70/180846670.db2.gz OQRCXUFWKZNDIW-CQSZACIVSA-N 0 0 240.310 2.165 10 30 BEEERN CC#CCCC(=O)c1cc(F)ccc1N ZINC000165097359 353139548 /nfs/dbraw/zinc/13/95/48/353139548.db2.gz MNMYZEJGBAFUCQ-UHFFFAOYSA-N 0 0 205.232 2.394 10 30 BEEERN C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCc2cccnc21 ZINC000329175131 538108672 /nfs/dbraw/zinc/10/86/72/538108672.db2.gz BJZNUKZOIGHNHP-DLOVCJGASA-N 0 0 246.310 2.245 10 30 BEEERN C=CCCNc1nc(Cl)ncc1F ZINC000229329898 353121220 /nfs/dbraw/zinc/12/12/20/353121220.db2.gz KSYMHCVUGPMYHB-UHFFFAOYSA-N 0 0 201.632 2.257 10 30 BEEERN N#C[C@]1(C[C@@H](O)C(F)(F)F)CCCS1 ZINC000307732272 353121290 /nfs/dbraw/zinc/12/12/90/353121290.db2.gz PDAYPWALUNQXPU-RNFRBKRXSA-N 0 0 225.235 2.089 10 30 BEEERN CC#CC(=O)Nc1c(C)ccnc1Cl ZINC000232637075 353149924 /nfs/dbraw/zinc/14/99/24/353149924.db2.gz QWWSDEBTVXBLCG-UHFFFAOYSA-N 0 0 208.648 2.005 10 30 BEEERN C=CCN(CC=C)C(=O)NCc1cccc(C)n1 ZINC000123736125 353153172 /nfs/dbraw/zinc/15/31/72/353153172.db2.gz UAGSLJAPENBPLA-UHFFFAOYSA-N 0 0 245.326 2.274 10 30 BEEERN C=CCN(CC=C)C(=O)c1cnn2c1CCCC2 ZINC000126126097 353218703 /nfs/dbraw/zinc/21/87/03/353218703.db2.gz QKLHLOBQTRJKPF-UHFFFAOYSA-N 0 0 245.326 2.034 10 30 BEEERN C=CCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128094811 353278475 /nfs/dbraw/zinc/27/84/75/353278475.db2.gz XFCNNWHFYWSGPZ-TZMCWYRMSA-N 0 0 237.343 2.106 10 30 BEEERN C#CCOc1ccc(C)nc1Br ZINC000128427789 353291451 /nfs/dbraw/zinc/29/14/51/353291451.db2.gz IPQVBBFKPSGNBM-UHFFFAOYSA-N 0 0 226.073 2.165 10 30 BEEERN CC(=O)O[C@H](C#N)c1ccc(Cl)cc1 ZINC000036438851 188285914 /nfs/dbraw/zinc/28/59/14/188285914.db2.gz YIGZZEDCGUBLFW-SNVBAGLBSA-N 0 0 209.632 2.468 10 30 BEEERN COc1ccc([C@@H](C#N)C(=O)C2CC2)cc1OC ZINC000037346462 188287524 /nfs/dbraw/zinc/28/75/24/188287524.db2.gz FNUOPMOTDXBUFP-LLVKDONJSA-N 0 0 245.278 2.290 10 30 BEEERN N#CCc1ccc(O[C@H]2CCC[C@H]2O)cc1 ZINC000037690284 188287643 /nfs/dbraw/zinc/28/76/43/188287643.db2.gz MKEFHKQRQXYAOI-OLZOCXBDSA-N 0 0 217.268 2.045 10 30 BEEERN CC(C)CN[C@@H](C#N)c1cccc(C#N)c1 ZINC000037939174 188289243 /nfs/dbraw/zinc/28/92/43/188289243.db2.gz CSYXTPNMUMSDRQ-ZDUSSCGKSA-N 0 0 213.284 2.369 10 30 BEEERN N#CCCN(Cc1cc(F)ccc1N)C1CC1 ZINC000042530971 188293469 /nfs/dbraw/zinc/29/34/69/188293469.db2.gz WWPLCQLIFDPQBA-UHFFFAOYSA-N 0 0 233.290 2.286 10 30 BEEERN Cc1cc(C)c(C#N)c(N(CCC#N)C2CC2)n1 ZINC000042549693 188293834 /nfs/dbraw/zinc/29/38/34/188293834.db2.gz SXCXLEPGCKYRBG-UHFFFAOYSA-N 0 0 240.310 2.453 10 30 BEEERN CCC[C@H](C#N)C(=O)N[C@@H](C)c1ccco1 ZINC000044822958 188296931 /nfs/dbraw/zinc/29/69/31/188296931.db2.gz NWHNBKQIQAJCSF-VHSXEESVSA-N 0 0 220.272 2.397 10 30 BEEERN N#C[C@@H](NC1CCCCC1)C1CCOCC1 ZINC000052178929 188299605 /nfs/dbraw/zinc/29/96/05/188299605.db2.gz PUHOBPITKDHFOB-CYBMUJFWSA-N 0 0 222.332 2.227 10 30 BEEERN COc1ccc(CN(C)[C@H](C)CC#N)cc1N ZINC000063085133 188303909 /nfs/dbraw/zinc/30/39/09/188303909.db2.gz WYMLNNBKESDNJF-SNVBAGLBSA-N 0 0 233.315 2.011 10 30 BEEERN N#CCCN(c1ccccc1)[C@@H]1CCOC1 ZINC000070072085 188305254 /nfs/dbraw/zinc/30/52/54/188305254.db2.gz UURRBZOHVLXQPK-CYBMUJFWSA-N 0 0 216.284 2.196 10 30 BEEERN CC(=O)c1cc(C#N)nc(C(F)(F)F)c1 ZINC000095766500 188321307 /nfs/dbraw/zinc/32/13/07/188321307.db2.gz LQDJBDPHAHHZCG-UHFFFAOYSA-N 0 0 214.146 2.175 10 30 BEEERN C#CCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000048176406 188326799 /nfs/dbraw/zinc/32/67/99/188326799.db2.gz GPHYAUFIQPRGFU-UHFFFAOYSA-N 0 0 205.213 2.224 10 30 BEEERN C[C@@H](CC#N)C(=O)N1CCc2ccccc21 ZINC000049815631 188327000 /nfs/dbraw/zinc/32/70/00/188327000.db2.gz IYCVHRNFCJWLFC-JTQLQIEISA-N 0 0 214.268 2.125 10 30 BEEERN C[C@@H](CC#N)C(=O)Nc1ccc(F)cc1 ZINC000049813339 188327761 /nfs/dbraw/zinc/32/77/61/188327761.db2.gz XAJBAOCVNHNKJX-QMMMGPOBSA-N 0 0 206.220 2.314 10 30 BEEERN N#CC[C@@H]1NCCc2cc(Cl)ccc21 ZINC000083661217 188356308 /nfs/dbraw/zinc/35/63/08/188356308.db2.gz BQXBMVRPOUAPKI-NSHDSACASA-N 0 0 206.676 2.440 10 30 BEEERN CC(C)[C@H](S)C(=O)N1CCC(C)(C)C1 ZINC000232775487 353394389 /nfs/dbraw/zinc/39/43/89/353394389.db2.gz DLLWXCMQPYETAH-VIFPVBQESA-N 0 0 215.362 2.199 10 30 BEEERN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCOC1 ZINC000131635556 353371383 /nfs/dbraw/zinc/37/13/83/353371383.db2.gz BMKZCSKGFYAIAB-GFCCVEGCSA-N 0 0 223.316 2.002 10 30 BEEERN Cc1nc(N[C@]2(C)CCCOC2)ccc1C#N ZINC000310202500 188348002 /nfs/dbraw/zinc/34/80/02/188348002.db2.gz SOPBRYCMCFWUMH-CYBMUJFWSA-N 0 0 231.299 2.243 10 30 BEEERN N#Cc1cnc(N2C[C@H]3CCCCC[C@@H]32)cn1 ZINC000364282352 188350682 /nfs/dbraw/zinc/35/06/82/188350682.db2.gz WLDHZNXMIVYHDV-PWSUYJOCSA-N 0 0 228.299 2.117 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCC(=O)CC1 ZINC000330093054 538116788 /nfs/dbraw/zinc/11/67/88/538116788.db2.gz ZIIRPMLBWJBQBN-JQWIXIFHSA-N 0 0 234.299 2.394 10 30 BEEERN CN(Cc1ccccc1)C1=CC(=O)CC1 ZINC000160193332 353511347 /nfs/dbraw/zinc/51/13/47/353511347.db2.gz JUBZMGCGHUIQRY-UHFFFAOYSA-N 0 0 201.269 2.365 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)s1 ZINC000061888954 353543407 /nfs/dbraw/zinc/54/34/07/353543407.db2.gz QRAYVRNSRQNZRY-UWVGGRQHSA-N 0 0 234.324 2.479 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(F)cc1 ZINC000061889192 353543616 /nfs/dbraw/zinc/54/36/16/353543616.db2.gz PHVYKEBFNSFLNV-YPMHNXCESA-N 0 0 246.285 2.177 10 30 BEEERN C#CC[C@H](C)Nc1cc(Cl)nc(C)n1 ZINC000231145597 353569335 /nfs/dbraw/zinc/56/93/35/353569335.db2.gz PGBHPMBCESQLCZ-ZETCQYMHSA-N 0 0 209.680 2.262 10 30 BEEERN CN(Cc1cccs1)C1=CC(=O)CC1 ZINC000160201701 353635024 /nfs/dbraw/zinc/63/50/24/353635024.db2.gz RKEXDKYZQRZCCO-UHFFFAOYSA-N 0 0 207.298 2.427 10 30 BEEERN CC1(C)CNc2cc(C#N)c(F)cc2O1 ZINC000218901086 353635877 /nfs/dbraw/zinc/63/58/77/353635877.db2.gz RQYFBEBUJLTEOX-UHFFFAOYSA-N 0 0 206.220 2.280 10 30 BEEERN C=C(Br)CN1CC[C@H]1CC ZINC000292524360 353721851 /nfs/dbraw/zinc/72/18/51/353721851.db2.gz WOCYGDAWNZFFSW-MRVPVSSYSA-N 0 0 204.111 2.379 10 30 BEEERN C[C@@H]1CC(=NNC(N)=S)CC(C)(C)C1 ZINC000252446867 363254233 /nfs/dbraw/zinc/25/42/33/363254233.db2.gz CDOKQVYLOIAOCF-SSDOTTSWSA-N 0 0 213.350 2.022 10 30 BEEERN N#CC1(c2nc([C@@H]3CCOC3)no2)CCCCC1 ZINC000118962995 181031652 /nfs/dbraw/zinc/03/16/52/181031652.db2.gz NTPRURNWUXAELF-SNVBAGLBSA-N 0 0 247.298 2.299 10 30 BEEERN N#CCC(=O)c1c[nH]c2c1cccc2F ZINC000019772453 181034399 /nfs/dbraw/zinc/03/43/99/181034399.db2.gz JQOCPVCZEVZJCQ-UHFFFAOYSA-N 0 0 202.188 2.403 10 30 BEEERN N#CCCN(C(=O)[C@H]1CCCO1)c1ccccc1 ZINC000019506478 181037041 /nfs/dbraw/zinc/03/70/41/181037041.db2.gz HOVPLEVXXCVARI-CYBMUJFWSA-N 0 0 244.294 2.112 10 30 BEEERN N#CCCN(C(=O)Nc1cccc(N)c1)C1CC1 ZINC000042549757 181037377 /nfs/dbraw/zinc/03/73/77/181037377.db2.gz QRMLHNWHIGDONT-UHFFFAOYSA-N 0 0 244.298 2.179 10 30 BEEERN N#CCNCc1cc(Br)ccc1F ZINC000041044097 181043087 /nfs/dbraw/zinc/04/30/87/181043087.db2.gz UDPFXMUVCRWYKM-UHFFFAOYSA-N 0 0 243.079 2.201 10 30 BEEERN N#CCNCc1cccc(Br)c1 ZINC000042418996 181043256 /nfs/dbraw/zinc/04/32/56/181043256.db2.gz WZTLUIKZCWAGFK-UHFFFAOYSA-N 0 0 225.089 2.062 10 30 BEEERN N#CCOc1ccc(NC[C@H]2CCOC2)cc1 ZINC000020126538 181044296 /nfs/dbraw/zinc/04/42/96/181044296.db2.gz DDEDGNIMDBFTCM-LLVKDONJSA-N 0 0 232.283 2.037 10 30 BEEERN N#CC[C@@H](O)COc1cccc2ccccc21 ZINC000033650116 181044887 /nfs/dbraw/zinc/04/48/87/181044887.db2.gz ASZJWZSLVVSBAH-GFCCVEGCSA-N 0 0 227.263 2.493 10 30 BEEERN N#CC[C@@H](O)Cc1cccc(Br)c1 ZINC000041283119 181044995 /nfs/dbraw/zinc/04/49/95/181044995.db2.gz PDNSYJYWPWRSNS-SNVBAGLBSA-N 0 0 240.100 2.266 10 30 BEEERN N#CC[C@@H](NC[C@H](O)C1CC1)c1ccccc1 ZINC000071304874 181045217 /nfs/dbraw/zinc/04/52/17/181045217.db2.gz UDMFOCPUYMWTGV-KGLIPLIRSA-N 0 0 230.311 2.002 10 30 BEEERN N#CC[C@H](NC[C@H]1CCCO1)c1ccccc1 ZINC000055015814 181045975 /nfs/dbraw/zinc/04/59/75/181045975.db2.gz MWKNGRJYOADZTQ-KGLIPLIRSA-N 0 0 230.311 2.410 10 30 BEEERN N#CCN(CC#N)c1cccc(Cl)c1C=O ZINC000020079004 181040184 /nfs/dbraw/zinc/04/01/84/181040184.db2.gz PEQLAOAFJYBWQU-UHFFFAOYSA-N 0 0 233.658 2.006 10 30 BEEERN N#CCN(CC#N)C(=O)c1cccc2ccccc21 ZINC000060859741 181040594 /nfs/dbraw/zinc/04/05/94/181040594.db2.gz LAMZMYSHKZBBTB-UHFFFAOYSA-N 0 0 249.273 2.329 10 30 BEEERN N#CCc1noc(-c2ccccc2Cl)n1 ZINC000071522123 181050357 /nfs/dbraw/zinc/05/03/57/181050357.db2.gz WYDIINUZIAKLGJ-UHFFFAOYSA-N 0 0 219.631 2.456 10 30 BEEERN N#CCc1noc(Cc2c[nH]c3ccccc23)n1 ZINC000073641303 181050947 /nfs/dbraw/zinc/05/09/47/181050947.db2.gz FOMAQEXALZVRQO-UHFFFAOYSA-N 0 0 238.250 2.208 10 30 BEEERN N#C[C@@H](Nc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000037935779 181057572 /nfs/dbraw/zinc/05/75/72/181057572.db2.gz RDCZTEFCEPWTJB-BXKDBHETSA-N 0 0 220.247 2.166 10 30 BEEERN N#CNC(=NC1CCCCC1)Nc1ccncc1 ZINC000026577701 181052700 /nfs/dbraw/zinc/05/27/00/181052700.db2.gz DGOVGODHTGREPB-UHFFFAOYSA-N 0 0 243.314 2.253 10 30 BEEERN C#C[C@@H](Nc1nccnc1Cl)C(C)C ZINC000301010526 363294335 /nfs/dbraw/zinc/29/43/35/363294335.db2.gz YSOUINJKNLFRIV-MRVPVSSYSA-N 0 0 209.680 2.200 10 30 BEEERN N#C[C@@H](CN1CCCC1)c1ccccc1 ZINC000041210346 181054262 /nfs/dbraw/zinc/05/42/62/181054262.db2.gz ZWLLCUZGJVIWAB-ZDUSSCGKSA-N 0 0 200.285 2.390 10 30 BEEERN N#C[C@@H](CO)Cc1sccc1Br ZINC000063064202 181055551 /nfs/dbraw/zinc/05/55/51/181055551.db2.gz VHJVRVYLARHZTI-LURJTMIESA-N 0 0 246.129 2.185 10 30 BEEERN N#C[C@@H](NC1CC1)c1cc(F)c(F)c(F)c1 ZINC000062711946 181056335 /nfs/dbraw/zinc/05/63/35/181056335.db2.gz PHASRKJQWHIPNP-SNVBAGLBSA-N 0 0 226.201 2.421 10 30 BEEERN N#C[C@@H](NC1CC1)c1cc(F)ccc1F ZINC000037233665 181056486 /nfs/dbraw/zinc/05/64/86/181056486.db2.gz BYHWHRXGXJBFLA-LLVKDONJSA-N 0 0 208.211 2.281 10 30 BEEERN N#C[C@@H](NC[C@H]1CCCO1)c1ccsc1 ZINC000037939866 181057189 /nfs/dbraw/zinc/05/71/89/181057189.db2.gz VDQMVIQKVDSMSD-GHMZBOCLSA-N 0 0 222.313 2.081 10 30 BEEERN N#C[C@H](CCO)c1ccc(Br)cc1 ZINC000049830010 181063653 /nfs/dbraw/zinc/06/36/53/181063653.db2.gz IUMYRHREVSVOBE-VIFPVBQESA-N 0 0 240.100 2.439 10 30 BEEERN N#C[C@H](Cc1ccccc1)NCC(F)(F)F ZINC000037970941 181063753 /nfs/dbraw/zinc/06/37/53/181063753.db2.gz IXIWFVBLSUOWMJ-JTQLQIEISA-N 0 0 228.217 2.273 10 30 BEEERN N#C[C@H](NC1CC1)c1c(F)cccc1F ZINC000036924871 181064396 /nfs/dbraw/zinc/06/43/96/181064396.db2.gz YCSPGCUAZMIZHQ-JTQLQIEISA-N 0 0 208.211 2.281 10 30 BEEERN N#C[C@H](N)c1ccccc1OC(F)(F)F ZINC000022171384 181064826 /nfs/dbraw/zinc/06/48/26/181064826.db2.gz CDCRIOCAWGGVSJ-ZETCQYMHSA-N 0 0 216.162 2.109 10 30 BEEERN N#C[C@H](NCCO)c1ccc(Cl)cc1Cl ZINC000020176980 181066251 /nfs/dbraw/zinc/06/62/51/181066251.db2.gz SDBIMPIMIZSRLY-JTQLQIEISA-N 0 0 245.109 2.140 10 30 BEEERN N#C[C@H](NCc1ccccc1)[C@H]1CCCOC1 ZINC000104318643 181066343 /nfs/dbraw/zinc/06/63/43/181066343.db2.gz ZZZNCGXBCJDYEM-KBPBESRZSA-N 0 0 230.311 2.095 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccncc1 ZINC000054824568 181058730 /nfs/dbraw/zinc/05/87/30/181058730.db2.gz UBUNBPFPYPZZPQ-STQMWFEESA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@@H]1CC(=O)N(c2cccc3cccnc32)C1 ZINC000033434493 181059043 /nfs/dbraw/zinc/05/90/43/181059043.db2.gz DUHQRXXACJXEIN-JTQLQIEISA-N 0 0 237.262 2.111 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1ccsc1 ZINC000061888762 181060194 /nfs/dbraw/zinc/06/01/94/181060194.db2.gz YHSSCMCHWCQIGD-QWRGUYRKSA-N 0 0 234.324 2.099 10 30 BEEERN N#C[C@@H]1CCC[C@H]2OC[C@H](c3ccccc3)N21 ZINC000035127997 181061040 /nfs/dbraw/zinc/06/10/40/181061040.db2.gz GQHMNZGZXHZLEN-BFHYXJOUSA-N 0 0 228.295 2.462 10 30 BEEERN N#C[C@@]1(Nc2ccccc2)CN2CCC1CC2 ZINC000037935401 181062435 /nfs/dbraw/zinc/06/24/35/181062435.db2.gz PYYPCBHVPPCIMJ-CQSZACIVSA-N 0 0 227.311 2.086 10 30 BEEERN N#C[C@@]1(Nc2ccccc2)CCN(C2CC2)C1 ZINC000061990862 181063126 /nfs/dbraw/zinc/06/31/26/181063126.db2.gz AJKMHIGUCMMPJZ-AWEZNQCLSA-N 0 0 227.311 2.229 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NCc1ccco1 ZINC000054824442 181067658 /nfs/dbraw/zinc/06/76/58/181067658.db2.gz CMYDMUKMHDRKHA-PWSUYJOCSA-N 0 0 204.273 2.452 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(O)c1 ZINC000061891481 181068661 /nfs/dbraw/zinc/06/86/61/181068661.db2.gz PKEXJUSDNYQTCR-YPMHNXCESA-N 0 0 216.284 2.174 10 30 BEEERN N#C[C@H]1CCC[C@@H]1N[C@@H](CO)c1ccccc1 ZINC000063002157 181069180 /nfs/dbraw/zinc/06/91/80/181069180.db2.gz IPTYXMLZACANIQ-RDBSUJKOSA-N 0 0 230.311 2.002 10 30 BEEERN N#C[C@H]1CCC[C@H]1N[C@H]1COc2cc(O)ccc21 ZINC000061891440 181070018 /nfs/dbraw/zinc/07/00/18/181070018.db2.gz COYCQQZCAUBNQG-WQAKAFBOSA-N 0 0 244.294 2.108 10 30 BEEERN N#C[C@H]1CNc2ccc(Br)cc21 ZINC000071486937 181070045 /nfs/dbraw/zinc/07/00/45/181070045.db2.gz RDUIGOQTRYPCCI-LURJTMIESA-N 0 0 223.073 2.482 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1cccs1 ZINC000061888619 181070047 /nfs/dbraw/zinc/07/00/47/181070047.db2.gz ZUOJWTJBCJDFPF-MWLCHTKSSA-N 0 0 234.324 2.099 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1ccccc1 ZINC000054822943 181070104 /nfs/dbraw/zinc/07/01/04/181070104.db2.gz PXMWIHRTUGGXMC-CHWSQXEVSA-N 0 0 200.285 2.468 10 30 BEEERN N#Cc1c(N)nc2c(c1-c1ccncc1)CCC2 ZINC000035299463 181077687 /nfs/dbraw/zinc/07/76/87/181077687.db2.gz GVVXMUGQWPDMGD-UHFFFAOYSA-N 0 0 236.278 2.086 10 30 BEEERN N#Cc1cc(F)ccc1N[C@H]1CCC[C@H]1O ZINC000131901719 181088248 /nfs/dbraw/zinc/08/82/48/181088248.db2.gz PGQOKVXRAWLXIY-NWDGAFQWSA-N 0 0 220.247 2.023 10 30 BEEERN N#Cc1cc(N)ccc1-n1ccc(C2CC2)n1 ZINC000052855683 181089013 /nfs/dbraw/zinc/08/90/13/181089013.db2.gz RGLASJMJWYZFQR-UHFFFAOYSA-N 0 0 224.267 2.204 10 30 BEEERN N#Cc1cc(N)ccc1OC1CCCC1 ZINC000040887412 181089069 /nfs/dbraw/zinc/08/90/69/181089069.db2.gz GZPMPQMTTUODKA-UHFFFAOYSA-N 0 0 202.257 2.462 10 30 BEEERN N#Cc1cc(N)cnc1NCc1cccs1 ZINC000037759036 181089229 /nfs/dbraw/zinc/08/92/29/181089229.db2.gz QGIANOKEOQUYRK-UHFFFAOYSA-N 0 0 230.296 2.209 10 30 BEEERN N#Cc1cc(N)cnc1OC1CCCCC1 ZINC000037759223 181090478 /nfs/dbraw/zinc/09/04/78/181090478.db2.gz SDYCUEUYCSDVPB-UHFFFAOYSA-N 0 0 217.272 2.247 10 30 BEEERN N#Cc1cc(O)cc(-c2ccccc2CO)c1 ZINC000065341333 181091507 /nfs/dbraw/zinc/09/15/07/181091507.db2.gz ADRZUUAWDNQSJZ-UHFFFAOYSA-N 0 0 225.247 2.423 10 30 BEEERN N#Cc1cc(N[C@H]2CCOC2)nc2ccccc12 ZINC000127103437 181091900 /nfs/dbraw/zinc/09/19/00/181091900.db2.gz BVAVYJKNVBRVED-NSHDSACASA-N 0 0 239.278 2.307 10 30 BEEERN N#Cc1ccc(NCCCCC(F)(F)F)nn1 ZINC000301969547 181120617 /nfs/dbraw/zinc/12/06/17/181120617.db2.gz QMOSRYYUPCADMQ-UHFFFAOYSA-N 0 0 244.220 2.493 10 30 BEEERN N#Cc1ccc(NCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000035663937 181120690 /nfs/dbraw/zinc/12/06/90/181120690.db2.gz KBWHPWKPVDEFLU-UHFFFAOYSA-N 0 0 245.160 2.441 10 30 BEEERN N#Cc1ccc(NC[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000089167751 181122514 /nfs/dbraw/zinc/12/25/14/181122514.db2.gz PDSBBSNOMMUOMJ-GWCFXTLKSA-N 0 0 234.274 2.270 10 30 BEEERN N#Cc1ccc(NC[C@@H]2CCCCO2)c(N)c1 ZINC000042813884 181122750 /nfs/dbraw/zinc/12/27/50/181122750.db2.gz YUROAAJMABRAIH-NSHDSACASA-N 0 0 231.299 2.121 10 30 BEEERN N#Cc1ccc(F)c(CNCC(F)(F)F)c1 ZINC000020070268 181112611 /nfs/dbraw/zinc/11/26/11/181112611.db2.gz CZMLQBAEGITXCA-UHFFFAOYSA-N 0 0 232.180 2.349 10 30 BEEERN N#Cc1ccc(F)c(COC[C@@H]2CCCO2)c1 ZINC000019442152 181113221 /nfs/dbraw/zinc/11/32/21/181113221.db2.gz BAJBMEMGNMHJQH-LBPRGKRZSA-N 0 0 235.258 2.393 10 30 BEEERN N#Cc1ccc(N(CCO)C2CCCCC2)nc1 ZINC000042525811 181113880 /nfs/dbraw/zinc/11/38/80/181113880.db2.gz BCAPSJMUGUHUHV-UHFFFAOYSA-N 0 0 245.326 2.085 10 30 BEEERN N#Cc1ccc(N2CC[C@@H](O)C2)c2ccccc12 ZINC000038247215 181116277 /nfs/dbraw/zinc/11/62/77/181116277.db2.gz SKHCPFCIJAKNOX-GFCCVEGCSA-N 0 0 238.290 2.282 10 30 BEEERN N#Cc1ccc(NCc2ccncc2)c(N)c1 ZINC000035674424 181124976 /nfs/dbraw/zinc/12/49/76/181124976.db2.gz SOHBDYQYOWYNSC-UHFFFAOYSA-N 0 0 224.267 2.148 10 30 BEEERN N#Cc1ccc(NCc2cccnc2)cc1C#N ZINC000083360845 181123282 /nfs/dbraw/zinc/12/32/82/181123282.db2.gz XRDKRRKLPPTNNS-UHFFFAOYSA-N 0 0 234.262 2.437 10 30 BEEERN N#Cc1cccc(C#N)c1NCC[C@@H]1CCCO1 ZINC000302842356 181134311 /nfs/dbraw/zinc/13/43/11/181134311.db2.gz MLOWMHJLXMAOEU-ZDUSSCGKSA-N 0 0 241.294 2.411 10 30 BEEERN N#Cc1ccc([C@H](C#N)NCC2CC2)cc1 ZINC000037946836 181129645 /nfs/dbraw/zinc/12/96/45/181129645.db2.gz QGEAKNDFYZLALQ-ZDUSSCGKSA-N 0 0 211.268 2.123 10 30 BEEERN N#Cc1ccc2[nH]cc(/C=C/[N+](=O)[O-])c2c1 ZINC000002583771 181131016 /nfs/dbraw/zinc/13/10/16/181131016.db2.gz CQDDYYRKWJNSCZ-ONEGZZNKSA-N 0 0 213.196 2.287 10 30 BEEERN N#Cc1cccc(N2C[C@@H]3CC=CC[C@H]3C2)n1 ZINC000301453727 181139353 /nfs/dbraw/zinc/13/93/53/181139353.db2.gz YEWQRDILSZWUHL-RYUDHWBXSA-N 0 0 225.295 2.356 10 30 BEEERN N#Cc1ccccc1-n1nnc(-c2ccccc2)n1 ZINC000020077399 181144226 /nfs/dbraw/zinc/14/42/26/181144226.db2.gz QWNZBOURBZYQCU-UHFFFAOYSA-N 0 0 247.261 2.201 10 30 BEEERN N#Cc1ccccc1-c1ccc(CO)cn1 ZINC000034116548 181144296 /nfs/dbraw/zinc/14/42/96/181144296.db2.gz WOPFMBVSHKMGDD-UHFFFAOYSA-N 0 0 210.236 2.113 10 30 BEEERN N#Cc1ccccc1Cc1cnc(N)s1 ZINC000022151166 181147046 /nfs/dbraw/zinc/14/70/46/181147046.db2.gz OKSWEXUXMSNDEZ-UHFFFAOYSA-N 0 0 215.281 2.188 10 30 BEEERN N#Cc1ccccc1C[C@@H]1COCC[C@@H]1S ZINC000095078976 181147366 /nfs/dbraw/zinc/14/73/66/181147366.db2.gz YEUGWCXKXBCYCQ-OLZOCXBDSA-N 0 0 233.336 2.436 10 30 BEEERN N#Cc1ccccc1Oc1ncc(N)cc1C#N ZINC000037759285 181149986 /nfs/dbraw/zinc/14/99/86/181149986.db2.gz WPWHBAZYVCDSQG-UHFFFAOYSA-N 0 0 236.234 2.199 10 30 BEEERN N#Cc1ccccc1Oc1ncnc(Cl)c1N ZINC000061053141 181150019 /nfs/dbraw/zinc/15/00/19/181150019.db2.gz VLEJLWMHGSUNFZ-UHFFFAOYSA-N 0 0 246.657 2.376 10 30 BEEERN N#CC#Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000161206339 363414387 /nfs/dbraw/zinc/41/43/87/363414387.db2.gz UCLRAYFHOHEWMT-UHFFFAOYSA-N 0 0 206.588 2.123 10 30 BEEERN N#Cc1ccncc1N1C[C@H]2CCCC[C@H]21 ZINC000377975020 181159226 /nfs/dbraw/zinc/15/92/26/181159226.db2.gz FARPMQLOQIKTKR-VXGBXAGGSA-N 0 0 213.284 2.332 10 30 BEEERN C=CCNCC(=O)c1ccc(OC(C)C)cc1 ZINC000041613295 166398760 /nfs/dbraw/zinc/39/87/60/166398760.db2.gz CKCYJEDXNNKGNQ-UHFFFAOYSA-N 0 0 233.311 2.432 10 30 BEEERN N#Cc1ccnc(Nc2cccc(N)c2)c1 ZINC000019516295 181158440 /nfs/dbraw/zinc/15/84/40/181158440.db2.gz FTUUHOGTTKSCMC-UHFFFAOYSA-N 0 0 210.240 2.279 10 30 BEEERN N#Cc1ccncc1NCc1ccc(N)cc1 ZINC000083353368 181160807 /nfs/dbraw/zinc/16/08/07/181160807.db2.gz PVZZVFHHBUEWCV-UHFFFAOYSA-N 0 0 224.267 2.148 10 30 BEEERN C[C@H]1[C@H](C)OC[C@@]1(C#N)NCc1ccccc1 ZINC000405726576 354966809 /nfs/dbraw/zinc/96/68/09/354966809.db2.gz VZNUOSYSGXIZQG-SGMGOOAPSA-N 0 0 230.311 2.093 10 30 BEEERN N#Cc1cnn(-c2ccccc2)c1Cl ZINC000037408013 181164346 /nfs/dbraw/zinc/16/43/46/181164346.db2.gz PUSZKFPOUNLXFN-UHFFFAOYSA-N 0 0 203.632 2.397 10 30 BEEERN N#Cc1nc(Cl)sc1Br ZINC000038478267 181168435 /nfs/dbraw/zinc/16/84/35/181168435.db2.gz JBESZAHZHHQOLT-UHFFFAOYSA-N 0 0 223.482 2.431 10 30 BEEERN N#Cc1nc(Oc2cccnc2)ccc1[N+](=O)[O-] ZINC000302753113 181169734 /nfs/dbraw/zinc/16/97/34/181169734.db2.gz VUFCJHGDQAMRDJ-UHFFFAOYSA-N 0 0 242.194 2.049 10 30 BEEERN N#Cc1nc2cc3c(cc2s1)NCC3 ZINC000142157220 181169874 /nfs/dbraw/zinc/16/98/74/181169874.db2.gz ZQZBERNAUFKASR-UHFFFAOYSA-N 0 0 201.254 2.136 10 30 BEEERN N#Cc1ncccc1CSc1ccc(N)cn1 ZINC000061659238 181170174 /nfs/dbraw/zinc/17/01/74/181170174.db2.gz YDAMVSKKYNESLT-UHFFFAOYSA-N 0 0 242.307 2.223 10 30 BEEERN N#Cc1ncccc1CNCc1ccccc1 ZINC000061656815 181170507 /nfs/dbraw/zinc/17/05/07/181170507.db2.gz RSUGCKDMXNBECK-UHFFFAOYSA-N 0 0 223.279 2.243 10 30 BEEERN N#Cc1ncccc1N1C[C@H]2CCCC[C@H]21 ZINC000377981051 181170536 /nfs/dbraw/zinc/17/05/36/181170536.db2.gz DNRJVFQBZGRVHI-ZYHUDNBSSA-N 0 0 213.284 2.332 10 30 BEEERN N#Cc1n[nH]c2cc(Br)cc(F)c12 ZINC000042689488 181167288 /nfs/dbraw/zinc/16/72/88/181167288.db2.gz ORJNWCYRTPZUCK-UHFFFAOYSA-N 0 0 240.035 2.336 10 30 BEEERN N#Cc1nccnc1Oc1cccc(F)c1C#N ZINC000054380167 181175490 /nfs/dbraw/zinc/17/54/90/181175490.db2.gz HVZKUGZGASHVPX-UHFFFAOYSA-N 0 0 240.197 2.151 10 30 BEEERN N/C(=N/O)c1ccccc1OC1CCCC1 ZINC000019475133 181180197 /nfs/dbraw/zinc/18/01/97/181180197.db2.gz JSVCRJGMUCBANY-UHFFFAOYSA-N 0 0 220.272 2.103 10 30 BEEERN CC(C)c1nccnc1N(C)C[C@H](C)C#N ZINC000413057802 191351836 /nfs/dbraw/zinc/35/18/36/191351836.db2.gz YYTYJIQXIPLMKR-SNVBAGLBSA-N 0 0 218.304 2.196 10 30 BEEERN N/C(=N\O)c1ccc(OCc2cccs2)cc1 ZINC000019472582 181180958 /nfs/dbraw/zinc/18/09/58/181180958.db2.gz AEGUNLUBCWTFAF-UHFFFAOYSA-N 0 0 248.307 2.422 10 30 BEEERN N/C(CCCCOc1ccc2c(c1)CCC2)=N/O ZINC000049580441 181182604 /nfs/dbraw/zinc/18/26/04/181182604.db2.gz FWGVTNCQNXKHEC-UHFFFAOYSA-N 0 0 248.326 2.471 10 30 BEEERN N/C(CCO[C@@H]1CCCc2ccccc21)=N\O ZINC000019512908 181182690 /nfs/dbraw/zinc/18/26/90/181182690.db2.gz SQTUBSXOIZKOCT-GFCCVEGCSA-N 0 0 234.299 2.217 10 30 BEEERN C=C(C)COCCNc1nccnc1C(C)C ZINC000413189831 191362283 /nfs/dbraw/zinc/36/22/83/191362283.db2.gz AQFFHISGFFWEET-UHFFFAOYSA-N 0 0 235.331 2.027 10 30 BEEERN NC=CC(=O)c1ccc(Br)cc1 ZINC000035168659 181183676 /nfs/dbraw/zinc/18/36/76/181183676.db2.gz UTOYIYWDGZKNGK-AATRIKPKSA-N 0 0 226.073 2.104 10 30 BEEERN CC(C)CCC(=O)NC1(C#N)CCCC1 ZINC000040215113 355708895 /nfs/dbraw/zinc/70/88/95/355708895.db2.gz DGTZYTZSKGJTRE-UHFFFAOYSA-N 0 0 208.305 2.375 10 30 BEEERN O=C1C=C(N2CC[C@H]3CCCC[C@@H]32)CC1 ZINC000160263141 355773289 /nfs/dbraw/zinc/77/32/89/355773289.db2.gz XNOCCOBPTGKNGY-MFKMUULPSA-N 0 0 205.301 2.498 10 30 BEEERN C#CCOc1cccc(NC(=O)N[C@@H]2C[C@H]2C)c1 ZINC000108519768 355840941 /nfs/dbraw/zinc/84/09/41/355840941.db2.gz HGTYYUKMBUECME-ZWNOBZJWSA-N 0 0 244.294 2.229 10 30 BEEERN C[C@@H](C#N)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000336030937 134058185 /nfs/dbraw/zinc/05/81/85/134058185.db2.gz WQWXDDCSQWJCGY-UWVGGRQHSA-N 0 0 249.339 2.356 10 30 BEEERN CCc1nn(C)cc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000329182393 355902373 /nfs/dbraw/zinc/90/23/73/355902373.db2.gz OZYTWGMLLCIJIH-JOYOIKCWSA-N 0 0 248.330 2.012 10 30 BEEERN CCc1nn(C)cc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000329182391 355902484 /nfs/dbraw/zinc/90/24/84/355902484.db2.gz OZYTWGMLLCIJIH-BXKDBHETSA-N 0 0 248.330 2.012 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)C[C@H]1CCCC(=O)N1 ZINC000329249252 355907085 /nfs/dbraw/zinc/90/70/85/355907085.db2.gz WZANNDNLLSNWMP-OPRDCNLKSA-N 0 0 240.303 2.019 10 30 BEEERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000329157174 355900603 /nfs/dbraw/zinc/90/06/03/355900603.db2.gz DAQVVCWPQNNJDC-CDEVMZEPSA-N 0 0 236.315 2.496 10 30 BEEERN Cc1cnc(NC(=O)[C@H]2CC[C@@H](C)O2)o1 ZINC000330110813 356172142 /nfs/dbraw/zinc/17/21/42/356172142.db2.gz QTNZVGPTFKCRGF-HTRCEHHLSA-N 0 0 210.233 2.139 10 30 BEEERN C[C@H](NC1=CC(=O)CC1)c1nccs1 ZINC000160355887 356468644 /nfs/dbraw/zinc/46/86/44/356468644.db2.gz RZZNDMRFLBQJDW-ZETCQYMHSA-N 0 0 208.286 2.041 10 30 BEEERN C=C1CCN(C(=O)[C@@H]2OCC[C@@H]2C(C)C)CC1 ZINC000336197059 134126765 /nfs/dbraw/zinc/12/67/65/134126765.db2.gz CIMVPLKAMGBZOP-CHWSQXEVSA-N 0 0 237.343 2.226 10 30 BEEERN Cc1ccc(F)c2cc(C#N)c(=O)[nH]c12 ZINC000675067494 538494360 /nfs/dbraw/zinc/49/43/60/538494360.db2.gz HFEQFCGZJVCLIZ-UHFFFAOYSA-N 0 0 202.188 2.260 10 30 BEEERN COc1cccc(C#CC(=O)OC(C)(C)C)c1 ZINC000675079195 538517478 /nfs/dbraw/zinc/51/74/78/538517478.db2.gz RHLFAFHMVIWYGC-UHFFFAOYSA-N 0 0 232.279 2.388 10 30 BEEERN N#C[C@@H]1CCOC12CCC(F)(F)CC2 ZINC000675079320 538518141 /nfs/dbraw/zinc/51/81/41/538518141.db2.gz CGWUAVCGZJVLSX-QMMMGPOBSA-N 0 0 201.216 2.495 10 30 BEEERN C=CC1(CC(=O)[O-])CC[NH+](C(C)C)CC1 ZINC000675078952 538518259 /nfs/dbraw/zinc/51/82/59/538518259.db2.gz CSBJVUQPQSXXPM-UHFFFAOYSA-N 0 0 211.305 2.138 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1cccc(O)c1 ZINC000675079495 538518564 /nfs/dbraw/zinc/51/85/64/538518564.db2.gz ZNBJZIFIITZCQX-UHFFFAOYSA-N 0 0 218.252 2.085 10 30 BEEERN Nc1ccc(F)cc1C#CC(F)(F)F ZINC000675079770 538519009 /nfs/dbraw/zinc/51/90/09/538519009.db2.gz XNMHXYNUSHHFJW-UHFFFAOYSA-N 0 0 203.138 2.322 10 30 BEEERN CCCC[C@]1(CC)O[C@H]1C(=O)OCC ZINC000084324845 538532836 /nfs/dbraw/zinc/53/28/36/538532836.db2.gz USLDFLOUSTUMTB-ONGXEEELSA-N 0 0 200.278 2.287 10 30 BEEERN C=CCOC(=O)c1ccc([C@H](C)O)cc1 ZINC000034723771 356703174 /nfs/dbraw/zinc/70/31/74/356703174.db2.gz MFZCPUORDJCEIX-VIFPVBQESA-N 0 0 206.241 2.083 10 30 BEEERN CCC[C@]1(C)O[C@]1(C(=O)OC)C(C)C ZINC000086182700 538551796 /nfs/dbraw/zinc/55/17/96/538551796.db2.gz MYXGWZSCTJUOGE-QWRGUYRKSA-N 0 0 200.278 2.143 10 30 BEEERN CCCCC[C@]1(C)O[C@@]1(C)C(=O)OC ZINC000087649338 538567594 /nfs/dbraw/zinc/56/75/94/538567594.db2.gz BMHFARVKPGLPEL-QWRGUYRKSA-N 0 0 200.278 2.287 10 30 BEEERN CCCCC[C@@]1(C)O[C@H]1C(=O)OCC ZINC000087649331 538567655 /nfs/dbraw/zinc/56/76/55/538567655.db2.gz FDBNVPHYLGHYHH-GXSJLCMTSA-N 0 0 200.278 2.287 10 30 BEEERN CCC[C@]1(C2CCCC2)O[C@@H]1C(=O)OC ZINC000313416530 538578954 /nfs/dbraw/zinc/57/89/54/538578954.db2.gz LUXAKWWBOTXMII-ZYHUDNBSSA-N 0 0 212.289 2.287 10 30 BEEERN C/C=C/C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000226101203 538611090 /nfs/dbraw/zinc/61/10/90/538611090.db2.gz XBNXCWNCDRYKLA-PORFMDCZSA-N 0 0 239.315 2.389 10 30 BEEERN N#Cc1ccc(Oc2ccc(CO)cc2)nc1 ZINC000040431708 356991908 /nfs/dbraw/zinc/99/19/08/356991908.db2.gz QFNZSHZQEBWDTP-UHFFFAOYSA-N 0 0 226.235 2.238 10 30 BEEERN Cc1nn(C[C@@H](C)C#N)c(C)c1Br ZINC000026545167 357174047 /nfs/dbraw/zinc/17/40/47/357174047.db2.gz UBLHXMZIXGMCQH-LURJTMIESA-N 0 0 242.120 2.422 10 30 BEEERN COc1cc(C#N)ccc1NCC1(C)COC1 ZINC000130062425 357168799 /nfs/dbraw/zinc/16/87/99/357168799.db2.gz ASPPIXZTNIXWJS-UHFFFAOYSA-N 0 0 232.283 2.015 10 30 BEEERN C#CC(=O)c1cc(F)ccc1Br ZINC000168754124 357220715 /nfs/dbraw/zinc/22/07/15/357220715.db2.gz FHGBXLDLRLBWNB-UHFFFAOYSA-N 0 0 227.032 2.404 10 30 BEEERN N#Cc1cc(F)ccc1N[C@H]1CCC[C@H](O)C1 ZINC000610273787 357406586 /nfs/dbraw/zinc/40/65/86/357406586.db2.gz JDFITUDRDPTEPM-RYUDHWBXSA-N 0 0 234.274 2.413 10 30 BEEERN Cc1cc(Nc2cnn(C)c2)c(C#N)c(C)n1 ZINC000212675004 357511687 /nfs/dbraw/zinc/51/16/87/357511687.db2.gz UCQJSPRKJVVYBL-UHFFFAOYSA-N 0 0 227.271 2.047 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@@H]1CCCO[C@H]1C ZINC000188504916 357557348 /nfs/dbraw/zinc/55/73/48/357557348.db2.gz MHEKQOMBDKKFAP-NWDGAFQWSA-N 0 0 225.332 2.226 10 30 BEEERN CC(C)n1cc(Br)cc(C#N)c1=O ZINC000261220558 538860635 /nfs/dbraw/zinc/86/06/35/538860635.db2.gz KZJWUWPKERCFEG-UHFFFAOYSA-N 0 0 241.088 2.063 10 30 BEEERN CC(C)(C#N)CCCCN1CCn2ccnc2C1 ZINC000232531990 357664061 /nfs/dbraw/zinc/66/40/61/357664061.db2.gz JXGURCLXEAWZEB-UHFFFAOYSA-N 0 0 246.358 2.419 10 30 BEEERN CCc1occc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000234164752 357776664 /nfs/dbraw/zinc/77/66/64/357776664.db2.gz LMCOUCJFEMGOFI-GXSJLCMTSA-N 0 0 232.283 2.264 10 30 BEEERN C=CCCCOc1ccc(OC)cc1C(N)=O ZINC000117552115 134221174 /nfs/dbraw/zinc/22/11/74/134221174.db2.gz JKEXPKNKLOOMMA-UHFFFAOYSA-N 0 0 235.283 2.139 10 30 BEEERN CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000610496201 357956397 /nfs/dbraw/zinc/95/63/97/357956397.db2.gz ROUJAQJFEWDUBG-DTWKUNHWSA-N 0 0 230.258 2.230 10 30 BEEERN CO[C@H](C)C#Cc1ccc(Br)cn1 ZINC000137893501 358016582 /nfs/dbraw/zinc/01/65/82/358016582.db2.gz FICLHKYLKHUJLD-MRVPVSSYSA-N 0 0 240.100 2.231 10 30 BEEERN C=CC[C@H](C)Nc1ncnc(Cl)c1N ZINC000169057577 358099023 /nfs/dbraw/zinc/09/90/23/358099023.db2.gz SPFSYXAFIPABMD-LURJTMIESA-N 0 0 212.684 2.089 10 30 BEEERN O=CCCCCNC(=O)OCc1ccccc1 ZINC000169065298 358182959 /nfs/dbraw/zinc/18/29/59/358182959.db2.gz DQUTUODQTCRDGQ-UHFFFAOYSA-N 0 0 235.283 2.282 10 30 BEEERN C[Si](C)(C)C#Cc1cnc(Cl)nc1 ZINC000224030745 358231390 /nfs/dbraw/zinc/23/13/90/358231390.db2.gz UWJHEBJGAWAEEP-UHFFFAOYSA-N 0 0 210.740 2.359 10 30 BEEERN C=CCNC(=CC(=O)OCC)c1cccs1 ZINC000584611400 358275186 /nfs/dbraw/zinc/27/51/86/358275186.db2.gz BMIXNTKJPKZORZ-KTKRTIGZSA-N 0 0 237.324 2.428 10 30 BEEERN Cc1ccc(S(=O)(=O)/N=C2\C=CCC2)cc1 ZINC000584611927 358275834 /nfs/dbraw/zinc/27/58/34/358275834.db2.gz YLHGHYHSYZSHHC-ACCUITESSA-N 0 0 235.308 2.475 10 30 BEEERN N#Cc1ccc(N2C(=O)CC[C@@H]2CF)cc1 ZINC000584613331 358277569 /nfs/dbraw/zinc/27/75/69/358277569.db2.gz CTDKNBSFFVGFHS-LLVKDONJSA-N 0 0 218.231 2.023 10 30 BEEERN C[C@H](C#N)NC(=O)N(C)c1cccc(Cl)c1 ZINC000584613548 358277991 /nfs/dbraw/zinc/27/79/91/358277991.db2.gz SEOGTZMHJVONMW-MRVPVSSYSA-N 0 0 237.690 2.398 10 30 BEEERN COCC#C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000584595445 358253104 /nfs/dbraw/zinc/25/31/04/358253104.db2.gz VARCASWVAOGDNI-ZDUSSCGKSA-N 0 0 217.312 2.157 10 30 BEEERN COC(=O)c1ccccc1[C@@H]1C/C(=N/O)CCO1 ZINC000584597375 358254668 /nfs/dbraw/zinc/25/46/68/358254668.db2.gz MZLFMQLOKAJBCA-IGVUGNCQSA-N 0 0 249.266 2.155 10 30 BEEERN N#CC[C@@H]1C2CCC(CC2)[C@@H]1C1OCCO1 ZINC000584599720 358256403 /nfs/dbraw/zinc/25/64/03/358256403.db2.gz KIBINIVZZXSOAB-HCWSGVFWSA-N 0 0 221.300 2.325 10 30 BEEERN N#Cc1ccc([C@@H](O)c2ccc(O)cc2)cc1 ZINC000584599795 358256471 /nfs/dbraw/zinc/25/64/71/358256471.db2.gz ZWHQRWAWEWSVBS-CQSZACIVSA-N 0 0 225.247 2.346 10 30 BEEERN N#CC1(COc2nc(Cl)cc(Cl)n2)CC1 ZINC000584603168 358261197 /nfs/dbraw/zinc/26/11/97/358261197.db2.gz LVAVBWDKVWPSPR-UHFFFAOYSA-N 0 0 244.081 2.466 10 30 BEEERN N#CCN1CCCN(c2ccccc2)CCC1 ZINC000584615927 358280277 /nfs/dbraw/zinc/28/02/77/358280277.db2.gz WWNQBYXVBNGNBH-UHFFFAOYSA-N 0 0 229.327 2.112 10 30 BEEERN CCOC(=O)C=C(C)Nc1ccccn1 ZINC000584604540 358263736 /nfs/dbraw/zinc/26/37/36/358263736.db2.gz QMUFOCRYSYVOMD-UKTHLTGXSA-N 0 0 206.245 2.127 10 30 BEEERN COC(=O)Cc1csc2cc(O)cc(C#N)c12 ZINC000584606216 358265418 /nfs/dbraw/zinc/26/54/18/358265418.db2.gz CLMDZYUVISZUAG-UHFFFAOYSA-N 0 0 247.275 2.194 10 30 BEEERN CC(=O)C1=C(C)OC[C@@H]1c1ccccn1 ZINC000584615785 358280446 /nfs/dbraw/zinc/28/04/46/358280446.db2.gz SSUUEODWOYUQAD-SNVBAGLBSA-N 0 0 203.241 2.058 10 30 BEEERN C=C(C(=O)OC)[C@@H](F)c1ccc([N+](=O)[O-])cc1 ZINC000584606737 358266570 /nfs/dbraw/zinc/26/65/70/358266570.db2.gz LHMBPWWVNSZGRD-SNVBAGLBSA-N 0 0 239.202 2.335 10 30 BEEERN C=CCOC(C)(C)[C@@H](C=C)OCOC ZINC000584610619 358273859 /nfs/dbraw/zinc/27/38/59/358273859.db2.gz UASLVICIWNHSTH-SNVBAGLBSA-N 0 0 200.278 2.143 10 30 BEEERN C=C(CC[C@@H](O)C[N+](=O)[O-])c1ccccc1 ZINC000584620301 358287475 /nfs/dbraw/zinc/28/74/75/358287475.db2.gz DTPUTGCXIREWCC-GFCCVEGCSA-N 0 0 221.256 2.118 10 30 BEEERN COCc1ccc2c(c1)CC[C@@H](/C=N/O)C2 ZINC000584626361 358295821 /nfs/dbraw/zinc/29/58/21/358295821.db2.gz YQJVSVDMAIVULF-WWNSAXIVSA-N 0 0 219.284 2.398 10 30 BEEERN CC(=O)OCC#CSc1ccccc1 ZINC000584630769 358300967 /nfs/dbraw/zinc/30/09/67/358300967.db2.gz GFECKXIGGGHWAB-UHFFFAOYSA-N 0 0 206.266 2.303 10 30 BEEERN C#CC(C)(C)O[S@@](=O)c1ccccc1 ZINC000584660988 358311910 /nfs/dbraw/zinc/31/19/10/358311910.db2.gz YWJWRJICAOBOKP-CQSZACIVSA-N 0 0 208.282 2.138 10 30 BEEERN CCC1(c2ccccc2)CN(CC#N)C1 ZINC000584616756 358281543 /nfs/dbraw/zinc/28/15/43/358281543.db2.gz YWDNWPKNASEPIF-UHFFFAOYSA-N 0 0 200.285 2.174 10 30 BEEERN CO/N=C/[C@H]1CCc2c1ccc(OC)c2OC ZINC000584618601 358284693 /nfs/dbraw/zinc/28/46/93/358284693.db2.gz PVKSZAOUPHDGBE-MBBDXHFBSA-N 0 0 235.283 2.366 10 30 BEEERN COc1ccc2[nH]cc([C@@H](C#N)C(C)=O)c2c1 ZINC000584618782 358285019 /nfs/dbraw/zinc/28/50/19/358285019.db2.gz PGSHFJFZZOMQJJ-NSHDSACASA-N 0 0 228.251 2.373 10 30 BEEERN CC(C)(C)OC(=O)ONC(=O)c1ccccc1 ZINC000584643831 358329076 /nfs/dbraw/zinc/32/90/76/358329076.db2.gz LOUJFSRCPLMUAI-UHFFFAOYSA-N 0 0 237.255 2.283 10 30 BEEERN C=C(C)CNC(=O)c1cc(CC)c(CC)[nH]c1=O ZINC000584632619 358315707 /nfs/dbraw/zinc/31/57/07/358315707.db2.gz IMJDBIKEDWFXBN-UHFFFAOYSA-N 0 0 248.326 2.218 10 30 BEEERN C=C[C@]1(c2ccccc2OC)COC(=O)O1 ZINC000584633422 358316967 /nfs/dbraw/zinc/31/69/67/358316967.db2.gz DMDBTBYDKKTVEV-GFCCVEGCSA-N 0 0 220.224 2.243 10 30 BEEERN C=CCn1ccc(=O)c2cc(C(C)=O)ccc21 ZINC000584635172 358319397 /nfs/dbraw/zinc/31/93/97/358319397.db2.gz XSMAIQQBZLCBFU-UHFFFAOYSA-N 0 0 227.263 2.390 10 30 BEEERN C#CC1(C#C)CCc2sccc2C1=O ZINC000584636529 358321025 /nfs/dbraw/zinc/32/10/25/358321025.db2.gz BYJCHFNHQKHMOD-UHFFFAOYSA-N 0 0 200.262 2.130 10 30 BEEERN CCC[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]1C ZINC000230063314 358391927 /nfs/dbraw/zinc/39/19/27/358391927.db2.gz IADIBBZPDOEUDA-HBNTYKKESA-N 0 0 208.305 2.231 10 30 BEEERN CN(CC#N)C(=O)c1cccc2ccccc21 ZINC000045049138 358558329 /nfs/dbraw/zinc/55/83/29/358558329.db2.gz CJBYNDYDTSYMFS-UHFFFAOYSA-N 0 0 224.263 2.435 10 30 BEEERN C[C@H](S)C(=O)N[C@@H]1CCCCC[C@H]1C ZINC000300226029 358569563 /nfs/dbraw/zinc/56/95/63/358569563.db2.gz PJPNOAYAJVAWIB-KXUCPTDWSA-N 0 0 215.362 2.390 10 30 BEEERN Cc1ccccc1-c1nc(CN(C)CC#N)no1 ZINC000124942927 358530425 /nfs/dbraw/zinc/53/04/25/358530425.db2.gz IFILGXBMMDYGRA-UHFFFAOYSA-N 0 0 242.282 2.000 10 30 BEEERN C[C@@H](C#N)CN(C)C(=O)NC1CCCCC1 ZINC000042863833 358531470 /nfs/dbraw/zinc/53/14/70/358531470.db2.gz RBWACTFNQQOPHK-JTQLQIEISA-N 0 0 223.320 2.120 10 30 BEEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)co1 ZINC000130326913 358618475 /nfs/dbraw/zinc/61/84/75/358618475.db2.gz FAPGXLPSRUYPNS-MWLCHTKSSA-N 0 0 218.256 2.010 10 30 BEEERN Cc1ccc([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)o1 ZINC000175170548 134285635 /nfs/dbraw/zinc/28/56/35/134285635.db2.gz OYRGNDLSZVMDQE-SECBINFHSA-N 0 0 243.266 2.279 10 30 BEEERN C#CC[C@H](C)NC(=O)[C@H]1CCOc2ccccc21 ZINC000135323352 358831209 /nfs/dbraw/zinc/83/12/09/358831209.db2.gz MJZZNMYDAZAYLV-AAEUAGOBSA-N 0 0 243.306 2.081 10 30 BEEERN C#CCNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000053557058 358834780 /nfs/dbraw/zinc/83/47/80/358834780.db2.gz DPVRLFPLDUVJGR-UHFFFAOYSA-N 0 0 240.306 2.119 10 30 BEEERN C#CCC(=O)c1ccc(N)cc1Br ZINC000306190394 359004727 /nfs/dbraw/zinc/00/47/27/359004727.db2.gz LBLXCXHIDAWWBV-UHFFFAOYSA-N 0 0 238.084 2.237 10 30 BEEERN CC[C@@H]1CC[C@H](C)N1c1cnc(C#N)cn1 ZINC000136153137 325443610 /nfs/dbraw/zinc/44/36/10/325443610.db2.gz YIOXZSPYJSMAOP-GXSJLCMTSA-N 0 0 216.288 2.116 10 30 BEEERN CO[C@@H](C=O)c1cccc(F)c1Br ZINC000306250640 359455716 /nfs/dbraw/zinc/45/57/16/359455716.db2.gz YFSFDIYXASSNIA-QMMMGPOBSA-N 0 0 247.063 2.475 10 30 BEEERN C[C@@](O)(C=O)c1ccc(Cl)cc1Cl ZINC000306252969 359461539 /nfs/dbraw/zinc/46/15/39/359461539.db2.gz MVNNMHCWYHMCDE-SECBINFHSA-N 0 0 219.067 2.400 10 30 BEEERN C#C[C@@](C)(CC)Oc1ccnc(Cl)n1 ZINC000306254004 359464447 /nfs/dbraw/zinc/46/44/47/359464447.db2.gz NUTHZLRTLNLTOE-JTQLQIEISA-N 0 0 210.664 2.311 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000231202140 359466758 /nfs/dbraw/zinc/46/67/58/359466758.db2.gz SNSGIUKBKVLJAE-STQMWFEESA-N 0 0 243.310 2.178 10 30 BEEERN CC1(C)COC[C@]1(C#N)NCc1ccccc1 ZINC000306259766 359477773 /nfs/dbraw/zinc/47/77/73/359477773.db2.gz SMPPOVPMEBWWJG-AWEZNQCLSA-N 0 0 230.311 2.095 10 30 BEEERN N#Cc1snc(Cl)c1NCCF ZINC000306267016 359489061 /nfs/dbraw/zinc/48/90/61/359489061.db2.gz HDCKLCHJDPCGKR-UHFFFAOYSA-N 0 0 205.645 2.050 10 30 BEEERN N#CCn1cc(NCc2ccccc2)cn1 ZINC000306296913 359541684 /nfs/dbraw/zinc/54/16/84/359541684.db2.gz AQJZSJLPUJFMGV-UHFFFAOYSA-N 0 0 212.256 2.019 10 30 BEEERN O=C(C#Cc1ccccc1)c1cscn1 ZINC000306325254 359609282 /nfs/dbraw/zinc/60/92/82/359609282.db2.gz WCEWZMREEMXULK-UHFFFAOYSA-N 0 0 213.261 2.378 10 30 BEEERN C[C@]1([C@@H]2CC[C@@H](C=O)O2)CCCS1 ZINC000306330599 359611061 /nfs/dbraw/zinc/61/10/61/359611061.db2.gz CFRPPCVVHRXDDR-LPEHRKFASA-N 0 0 200.303 2.019 10 30 BEEERN N#CCc1cc(F)cc(C(F)(F)F)c1N ZINC000396106260 359806910 /nfs/dbraw/zinc/80/69/10/359806910.db2.gz VEMROPXNUQQKCW-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1n[nH]c2ccccc12 ZINC000612586176 359899189 /nfs/dbraw/zinc/89/91/89/359899189.db2.gz OZZSOCCHSMBACU-ZYHUDNBSSA-N 0 0 240.310 2.345 10 30 BEEERN CCC#C[C@@H](C)N[C@H](C)c1ncc(C)o1 ZINC000309157503 491145732 /nfs/dbraw/zinc/14/57/32/491145732.db2.gz XSXWCKCJAZJTFL-MWLCHTKSSA-N 0 0 206.289 2.436 10 30 BEEERN O=CC1(Cc2ncccn2)CCCCC1 ZINC000306450508 360020783 /nfs/dbraw/zinc/02/07/83/360020783.db2.gz CIODFZBCGXMXJX-UHFFFAOYSA-N 0 0 204.273 2.169 10 30 BEEERN N#CCNCc1csc(Br)c1 ZINC000306451805 360034320 /nfs/dbraw/zinc/03/43/20/360034320.db2.gz MDXVQFIUHYQJIL-UHFFFAOYSA-N 0 0 231.118 2.124 10 30 BEEERN CC(C)n1cncc1CN[C@H]1CCC[C@@H]1C#N ZINC000090209193 360065585 /nfs/dbraw/zinc/06/55/85/360065585.db2.gz HHSBFRFEMXFNHC-YPMHNXCESA-N 0 0 232.331 2.246 10 30 BEEERN CC[C@@H](C#N)N1CC[C@@H](C(F)(F)F)C1 ZINC000306465337 360078756 /nfs/dbraw/zinc/07/87/56/360078756.db2.gz BGEIYQMQLMGUMG-SFYZADRCSA-N 0 0 206.211 2.173 10 30 BEEERN C[C@H](C#N)CN(C)C[C@@H]1Cc2ccccc2O1 ZINC000090874864 360091671 /nfs/dbraw/zinc/09/16/71/360091671.db2.gz XCRLRNJEOOAAGY-YPMHNXCESA-N 0 0 230.311 2.082 10 30 BEEERN C[C@]1(C=O)CC[C@@H](Cc2ccccc2)O1 ZINC000306519834 360344583 /nfs/dbraw/zinc/34/45/83/360344583.db2.gz JIZDPBSACPKUMZ-QWHCGFSZSA-N 0 0 204.269 2.366 10 30 BEEERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)C#N)cc1F ZINC000094929764 360327078 /nfs/dbraw/zinc/32/70/78/360327078.db2.gz PPUQBQYGOXCBAB-UWVGGRQHSA-N 0 0 234.274 2.471 10 30 BEEERN C=C(Cl)Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000069760078 360406440 /nfs/dbraw/zinc/40/64/40/360406440.db2.gz ZOCDIBQKKCFWIO-UHFFFAOYSA-N 0 0 222.031 2.197 10 30 BEEERN CC(=O)Nc1cc(Br)ccc1C#N ZINC000225449709 370668673 /nfs/dbraw/zinc/66/86/73/370668673.db2.gz QJRJQXQWVUGHFM-UHFFFAOYSA-N 0 0 239.072 2.279 10 30 BEEERN COc1ccccc1[C@@H]1CC(=O)C=CO1 ZINC000034566109 360461079 /nfs/dbraw/zinc/46/10/79/360461079.db2.gz USXRDWKUDRMMPX-LBPRGKRZSA-N 0 0 204.225 2.239 10 30 BEEERN N#CCCCn1c(=O)sc2ccccc21 ZINC000034591784 360461214 /nfs/dbraw/zinc/46/12/14/360461214.db2.gz XXFSCCJBURGNMI-UHFFFAOYSA-N 0 0 218.281 2.367 10 30 BEEERN CCOC(=O)Cc1cc(C#N)ccc1Cl ZINC000238257497 360762633 /nfs/dbraw/zinc/76/26/33/360762633.db2.gz WSYAQFZFIQINSJ-UHFFFAOYSA-N 0 0 223.659 2.317 10 30 BEEERN N#Cc1ccc(F)c(Br)c1[N+](=O)[O-] ZINC000306611974 360852410 /nfs/dbraw/zinc/85/24/10/360852410.db2.gz HORGMHLMYWELFH-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN COCc1ccc(Br)cc1C#N ZINC000238325018 360875509 /nfs/dbraw/zinc/87/55/09/360875509.db2.gz PQDIHVYNILPMIT-UHFFFAOYSA-N 0 0 226.073 2.467 10 30 BEEERN CCc1cc(C(=O)OC)cc(C)c1C#N ZINC000238314617 360860079 /nfs/dbraw/zinc/86/00/79/360860079.db2.gz NPVYPCZBIPETPU-UHFFFAOYSA-N 0 0 203.241 2.216 10 30 BEEERN COc1ccc2[nH]c(CCC#N)nc2c1 ZINC000238363393 360949535 /nfs/dbraw/zinc/94/95/35/360949535.db2.gz KNRYHMUIZJKQGP-UHFFFAOYSA-N 0 0 201.229 2.028 10 30 BEEERN COc1cc(C#N)cc(OC(F)(F)F)c1 ZINC000238401569 360996228 /nfs/dbraw/zinc/99/62/28/360996228.db2.gz AQTYRJYNRLXRJF-UHFFFAOYSA-N 0 0 217.146 2.465 10 30 BEEERN Cc1c(OC(F)(F)F)ccnc1CC#N ZINC000238446202 361068250 /nfs/dbraw/zinc/06/82/50/361068250.db2.gz JWNHAGPLJMGGEO-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1ncc(CC#N)cc1Br ZINC000238468616 361087717 /nfs/dbraw/zinc/08/77/17/361087717.db2.gz GGMYVNPKJDQRPZ-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN Cc1cc(C#N)ncc1OC(F)(F)F ZINC000238485020 361115446 /nfs/dbraw/zinc/11/54/46/361115446.db2.gz XSVBINLXTOJZGP-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1ccnc(F)c1OC(F)(F)F ZINC000238599975 361162456 /nfs/dbraw/zinc/16/24/56/361162456.db2.gz PFIZNMMHCDPLIN-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN Cc1cnc(OC(F)(F)F)cc1CC#N ZINC000238536250 361141348 /nfs/dbraw/zinc/14/13/48/361141348.db2.gz VKOHLNRVLAODHZ-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1nc(OC(F)(F)F)ccc1C#N ZINC000238563215 361153416 /nfs/dbraw/zinc/15/34/16/361153416.db2.gz DBWHFQDQUSLOGT-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1cccc(OC(F)(F)F)c1N ZINC000238660254 361172223 /nfs/dbraw/zinc/17/22/23/361172223.db2.gz PRYDAIMPPSOLSV-UHFFFAOYSA-N 0 0 216.162 2.233 10 30 BEEERN N#Cc1nc(OC(F)(F)F)ccc1CF ZINC000238693246 361180011 /nfs/dbraw/zinc/18/00/11/361180011.db2.gz SJLSIFHKVDVXNM-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1ccc(OC(F)(F)F)c(CF)n1 ZINC000238696024 361180504 /nfs/dbraw/zinc/18/05/04/361180504.db2.gz DIDZWDPYBJVFAG-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1c(OC(F)(F)F)ccnc1CF ZINC000238697976 361180580 /nfs/dbraw/zinc/18/05/80/361180580.db2.gz DDSROMWHBSWYIE-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1ccccc1OCCCCC=O ZINC000238609043 361163214 /nfs/dbraw/zinc/16/32/14/361163214.db2.gz FGXZAXRSVBSSCB-UHFFFAOYSA-N 0 0 203.241 2.306 10 30 BEEERN N#CCc1cnc(OC(F)(F)F)cc1F ZINC000238613314 361165966 /nfs/dbraw/zinc/16/59/66/361165966.db2.gz HPPQCJISBQOVCV-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN C#CCNc1nn2cc(C(C)(C)C)nc2s1 ZINC000159503861 361241550 /nfs/dbraw/zinc/24/15/50/361241550.db2.gz KCTJNSXQDYOLOJ-UHFFFAOYSA-N 0 0 234.328 2.133 10 30 BEEERN N/C(CNc1cc(Cl)cc(Cl)c1)=N\O ZINC000070202990 361477402 /nfs/dbraw/zinc/47/74/02/361477402.db2.gz QCDNRVCNHWLXGN-UHFFFAOYSA-N 0 0 234.086 2.152 10 30 BEEERN C[C@H]1C[C@@](C#N)(NCc2ccccc2)CCO1 ZINC000070367190 361509324 /nfs/dbraw/zinc/50/93/24/361509324.db2.gz YXSMYZJYJRANTC-JSGCOSHPSA-N 0 0 230.311 2.237 10 30 BEEERN N/C(CNc1cccc(Cl)c1Cl)=N\O ZINC000070604835 361614408 /nfs/dbraw/zinc/61/44/08/361614408.db2.gz MLNXBUXHCPOMLD-UHFFFAOYSA-N 0 0 234.086 2.152 10 30 BEEERN N#Cc1cccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000435203764 201255754 /nfs/dbraw/zinc/25/57/54/201255754.db2.gz YXPPYCVEYGPXTF-DZGCQCFKSA-N 0 0 242.322 2.421 10 30 BEEERN CCN(CCC#N)C(=O)[C@H](C#N)c1ccccc1 ZINC000061615139 169814345 /nfs/dbraw/zinc/81/43/45/169814345.db2.gz WRPPDAYDXYPPOU-CYBMUJFWSA-N 0 0 241.294 2.056 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000131202852 363947214 /nfs/dbraw/zinc/94/72/14/363947214.db2.gz MAKOVQWCIMDHCI-WPRPVWTQSA-N 0 0 247.254 2.056 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)CC1CCC1 ZINC000234581037 541311971 /nfs/dbraw/zinc/31/19/71/541311971.db2.gz VFGYJOBMINYDDE-VHSXEESVSA-N 0 0 218.680 2.074 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)CCC(C)C ZINC000234581092 541312095 /nfs/dbraw/zinc/31/20/95/541312095.db2.gz WRHQKICCAPBUJE-VHSXEESVSA-N 0 0 220.696 2.320 10 30 BEEERN Cc1cc(C#N)nc(N2CC[C@H]3CCC[C@H]32)n1 ZINC000329088646 541342611 /nfs/dbraw/zinc/34/26/11/541342611.db2.gz HZVYPQAHAWQAJB-ZYHUDNBSSA-N 0 0 228.299 2.036 10 30 BEEERN CC[C@H]1CCCCCN1C(=O)[C@@H](C)C#N ZINC000134805601 364414408 /nfs/dbraw/zinc/41/44/08/364414408.db2.gz XBCMHUUXVRYLOD-QWRGUYRKSA-N 0 0 208.305 2.327 10 30 BEEERN CC(C)[C@@H]1CCc2c(C#N)c(N)ncc2C1 ZINC000675063326 541464693 /nfs/dbraw/zinc/46/46/93/541464693.db2.gz CGNABXQGIWSCPM-SECBINFHSA-N 0 0 215.300 2.296 10 30 BEEERN CCCC[C@]1(CC)O[C@@]1(Cl)C(=O)OC ZINC000232997084 541509213 /nfs/dbraw/zinc/50/92/13/541509213.db2.gz HJKJRQMLMXNPPT-UWVGGRQHSA-N 0 0 220.696 2.464 10 30 BEEERN CC[C@@]1(c2ccccc2)O[C@@]1(Cl)C(=O)OC ZINC000233975225 541509860 /nfs/dbraw/zinc/50/98/60/541509860.db2.gz NTHUOTJJYXDDHW-RYUDHWBXSA-N 0 0 240.686 2.430 10 30 BEEERN COc1ccc(C#N)c(-c2ncccn2)c1 ZINC000116828476 370840990 /nfs/dbraw/zinc/84/09/90/370840990.db2.gz NYZLMPMBTUKYCF-UHFFFAOYSA-N 0 0 211.224 2.024 10 30 BEEERN CCOC(=O)c1cc2c(cc(C#N)cc2C#N)[nH]1 ZINC000223625808 368364792 /nfs/dbraw/zinc/36/47/92/368364792.db2.gz QIGMOXZGOZDGLW-UHFFFAOYSA-N 0 0 239.234 2.088 10 30 BEEERN C=CC[C@@H](O)[C@@]1(C)CCCCC12OCCO2 ZINC000048523848 368377303 /nfs/dbraw/zinc/37/73/03/368377303.db2.gz CTJKROZXDAXMTB-VXGBXAGGSA-N 0 0 226.316 2.247 10 30 BEEERN C=CC[C@H](O)[C@@]1(C)CCCCC12OCCO2 ZINC000048523851 368377443 /nfs/dbraw/zinc/37/74/43/368377443.db2.gz CTJKROZXDAXMTB-NWDGAFQWSA-N 0 0 226.316 2.247 10 30 BEEERN COC1=CC(=C2Nc3ccccc3O2)C=CC1=O ZINC000138517300 368413149 /nfs/dbraw/zinc/41/31/49/368413149.db2.gz HUFRUTBVJIGDLI-ZROIWOOFSA-N 0 0 241.246 2.372 10 30 BEEERN C=CCc1cc(CNC(=O)CC)ccc1O ZINC000082287736 368665709 /nfs/dbraw/zinc/66/57/09/368665709.db2.gz QAKBUDRXFHCPAK-UHFFFAOYSA-N 0 0 219.284 2.147 10 30 BEEERN CCCCCCCCn1cnc2c1nc[nH]c2=O ZINC000001599815 368657218 /nfs/dbraw/zinc/65/72/18/368657218.db2.gz SUUFWMAFUFHHCQ-UHFFFAOYSA-N 0 0 248.330 2.480 10 30 BEEERN C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@H](O)CCC(=C)[C@@H]21 ZINC000253389066 368943736 /nfs/dbraw/zinc/94/37/36/368943736.db2.gz FKBUODICGDOIGB-ZHZXCYKASA-N 0 0 248.322 2.211 10 30 biogenic BEEERN Cc1ccnc(N2CCC3(CC3)C2)c1C#N ZINC000400453080 369348976 /nfs/dbraw/zinc/34/89/76/369348976.db2.gz OEXAFTWGULXDTJ-UHFFFAOYSA-N 0 0 213.284 2.252 10 30 BEEERN CCN(Cc1cnn(C)c1)c1ccc(C#N)cc1 ZINC000301069027 369367512 /nfs/dbraw/zinc/36/75/12/369367512.db2.gz DRCFXIYHVAFSRX-UHFFFAOYSA-N 0 0 240.310 2.318 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccns1 ZINC000404322289 369426780 /nfs/dbraw/zinc/42/67/80/369426780.db2.gz RNVQQYVXBANFQL-ONGXEEELSA-N 0 0 221.329 2.315 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCS1 ZINC000260007094 370964770 /nfs/dbraw/zinc/96/47/70/370964770.db2.gz VDJRWACAJLTMEA-DCAQKATOSA-N 0 0 238.356 2.081 10 30 BEEERN Cc1cc(C#N)cc(N2C[C@@H]3CCC[C@@H]32)n1 ZINC000601120896 369593589 /nfs/dbraw/zinc/59/35/89/369593589.db2.gz LPWHNLIDNVDWCH-RYUDHWBXSA-N 0 0 213.284 2.250 10 30 BEEERN N#Cc1cc(F)c(N2CCCC2)nc1Cl ZINC000409424896 369975841 /nfs/dbraw/zinc/97/58/41/369975841.db2.gz IMOVPOKNMWTXTK-UHFFFAOYSA-N 0 0 225.654 2.346 10 30 BEEERN Cc1nn2ccn(C3CCCC3)c2c1C#N ZINC000409437601 369976648 /nfs/dbraw/zinc/97/66/48/369976648.db2.gz HPJQTDQTIVTQCK-UHFFFAOYSA-N 0 0 214.272 2.431 10 30 BEEERN CC(C)c1[nH]nc(-c2ccccn2)c1C#N ZINC000409442298 369977780 /nfs/dbraw/zinc/97/77/80/369977780.db2.gz YPGZITZZZROERO-UHFFFAOYSA-N 0 0 212.256 2.467 10 30 BEEERN N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000603865739 369996833 /nfs/dbraw/zinc/99/68/33/369996833.db2.gz OFZTXCZHITXOKG-NXEZZACHSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1cc(-c2ccncc2)nn1C(F)F ZINC000409443409 369979781 /nfs/dbraw/zinc/97/97/81/369979781.db2.gz MKJDWZUEWQYKAJ-UHFFFAOYSA-N 0 0 220.182 2.212 10 30 BEEERN C[C@@]1(/[N+]([O-])=C/c2ccco2)CCCCC1=O ZINC000225397172 370517742 /nfs/dbraw/zinc/51/77/42/370517742.db2.gz HUDRFSVIHYRDSF-FNWMBBJUSA-N 0 0 222.264 2.002 10 30 BEEERN Cc1cc(C(=O)N[C@H](C)C#N)c(C)s1 ZINC000125704016 371380231 /nfs/dbraw/zinc/38/02/31/371380231.db2.gz KDJYSWDUVISRQQ-ZCFIWIBFSA-N 0 0 208.286 2.007 10 30 BEEERN Cc1cc(NC[C@H]2CCCO2)c(C#N)c(C)n1 ZINC000156535197 371442446 /nfs/dbraw/zinc/44/24/46/371442446.db2.gz GGQRNXPRXZCRGG-LLVKDONJSA-N 0 0 231.299 2.161 10 30 BEEERN C=CCN(CC=C)C(=O)N[C@H](C)C(C)C ZINC000125936477 371454080 /nfs/dbraw/zinc/45/40/80/371454080.db2.gz HBRBVGJYQCQYPN-LLVKDONJSA-N 0 0 210.321 2.415 10 30 BEEERN Cc1cc(N[C@@H]2CCCOC2)c(C#N)c(C)n1 ZINC000156581735 371457705 /nfs/dbraw/zinc/45/77/05/371457705.db2.gz CWWNUUUVIVSFSJ-LLVKDONJSA-N 0 0 231.299 2.161 10 30 BEEERN Cc1nsc(N2C[C@@H]3CCC[C@H]32)c1C#N ZINC000334473045 371512544 /nfs/dbraw/zinc/51/25/44/371512544.db2.gz IQVBJORNLXURJY-WCBMZHEXSA-N 0 0 219.313 2.312 10 30 BEEERN N#CC1([C@H](O)c2nccs2)CCCC1 ZINC000161765905 371562218 /nfs/dbraw/zinc/56/22/18/371562218.db2.gz ONNRFIIQTFEEEB-MRVPVSSYSA-N 0 0 208.286 2.260 10 30 BEEERN N#Cc1ccc(-c2cnc(N)s2)cc1 ZINC000162389788 371669158 /nfs/dbraw/zinc/66/91/58/371669158.db2.gz SKAZZGJKKAWVMD-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN NC(N=O)Nc1c(Cl)cc(F)cc1Cl ZINC000215745104 371623637 /nfs/dbraw/zinc/62/36/37/371623637.db2.gz SGIZKZVQJPVDTF-UHFFFAOYSA-N 0 0 238.049 2.058 10 30 BEEERN N#Cc1c(N)c(Br)c(F)cc1F ZINC000226395410 371660138 /nfs/dbraw/zinc/66/01/38/371660138.db2.gz HPIUAMBWHHHYPL-UHFFFAOYSA-N 0 0 233.015 2.181 10 30 BEEERN C[C@@](N)(C#N)c1ccc(Br)cc1F ZINC000131935431 371721655 /nfs/dbraw/zinc/72/16/55/371721655.db2.gz YYGQMRQJQPCNAY-SECBINFHSA-N 0 0 243.079 2.286 10 30 BEEERN N#CCc1cc(O)c(F)c(Br)c1 ZINC000216658536 371786862 /nfs/dbraw/zinc/78/68/62/371786862.db2.gz QLDHSBRVGUFXOD-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN C=C(Br)CN1[C@H](C)CCC[C@@H]1CO ZINC000305201405 371898571 /nfs/dbraw/zinc/89/85/71/371898571.db2.gz FMEJLWTZGGVPQF-NXEZZACHSA-N 0 0 248.164 2.130 10 30 BEEERN C=C(Cl)CNc1ncnc(C)c1F ZINC000227652854 371913671 /nfs/dbraw/zinc/91/36/71/371913671.db2.gz YWOKLGCRSGCFRX-UHFFFAOYSA-N 0 0 201.632 2.089 10 30 BEEERN C=C(C(=O)[C@@H]1CC[C@H](C)O1)C(F)(F)F ZINC000306499189 372026212 /nfs/dbraw/zinc/02/62/12/372026212.db2.gz IFFFAESWVSMBRG-FSPLSTOPSA-N 0 0 208.179 2.242 10 30 BEEERN N#CC1(c2ncncc2Br)CCC1 ZINC000306344903 372012686 /nfs/dbraw/zinc/01/26/86/372012686.db2.gz NUCZPNNMZVSOAW-UHFFFAOYSA-N 0 0 238.088 2.184 10 30 BEEERN C=C[C@H](NC)c1nscc1Br ZINC000404742799 372111472 /nfs/dbraw/zinc/11/14/72/372111472.db2.gz QDZUECWAOSYOAT-LURJTMIESA-N 0 0 233.134 2.352 10 30 BEEERN CC1(C)CC[C@@H](NC(=O)C#CBr)C1 ZINC000307657532 372136092 /nfs/dbraw/zinc/13/60/92/372136092.db2.gz AFPNRQMXINRUHR-MRVPVSSYSA-N 0 0 244.132 2.037 10 30 BEEERN C=CCNc1cc(Br)nc(C)n1 ZINC000229298833 372138103 /nfs/dbraw/zinc/13/81/03/372138103.db2.gz FWXDNWUMAJDNRU-UHFFFAOYSA-N 0 0 228.093 2.145 10 30 BEEERN C#CC[C@@H](CC)Nc1nccnc1Cl ZINC000229318768 372142745 /nfs/dbraw/zinc/14/27/45/372142745.db2.gz OVTXJGOTTWAUOH-MRVPVSSYSA-N 0 0 209.680 2.344 10 30 BEEERN C=C[C@H](C)Nc1nc(Cl)ncc1F ZINC000229319899 372143105 /nfs/dbraw/zinc/14/31/05/372143105.db2.gz IGBUVSIZEBPOQP-YFKPBYRVSA-N 0 0 201.632 2.256 10 30 BEEERN C#C[C@@H](C)Nc1cc(Cl)nc(CC)n1 ZINC000229336915 372143699 /nfs/dbraw/zinc/14/36/99/372143699.db2.gz AXUSNAZZMVSPMR-SSDOTTSWSA-N 0 0 209.680 2.126 10 30 BEEERN C#C[C@H](C)Nc1cncc(Br)c1 ZINC000229335530 372144076 /nfs/dbraw/zinc/14/40/76/372144076.db2.gz VCKRKPMTKRBIGK-ZETCQYMHSA-N 0 0 225.089 2.278 10 30 BEEERN Cc1nc(C(=O)[C@H](C#N)C(C)C)cs1 ZINC000232708259 372153086 /nfs/dbraw/zinc/15/30/86/372153086.db2.gz LRFYJVPKYXAGRG-MRVPVSSYSA-N 0 0 208.286 2.430 10 30 BEEERN N#Cc1cc(CO)cc(C(F)(F)F)c1 ZINC000038276488 372529606 /nfs/dbraw/zinc/52/96/06/372529606.db2.gz RVOANQAGOMVMLN-UHFFFAOYSA-N 0 0 201.147 2.069 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1ccccc1 ZINC000038301958 372532146 /nfs/dbraw/zinc/53/21/46/372532146.db2.gz PXJDPDIARGPKJY-UHFFFAOYSA-N 0 0 202.253 2.380 10 30 BEEERN C=C[C@@H](NC)c1ncccc1Br ZINC000140376146 372596985 /nfs/dbraw/zinc/59/69/85/372596985.db2.gz DVIFVPRXNMKTKK-MRVPVSSYSA-N 0 0 227.105 2.291 10 30 BEEERN COc1c(C#N)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000141852272 373051018 /nfs/dbraw/zinc/05/10/18/373051018.db2.gz SRGZHEAAWCZVNP-UHFFFAOYSA-N 0 0 246.144 2.494 10 30 BEEERN C#CCNc1cccc(Cl)c1N(C)C ZINC000068990581 373103720 /nfs/dbraw/zinc/10/37/20/373103720.db2.gz JAIFYGYMBVWZLT-UHFFFAOYSA-N 0 0 208.692 2.451 10 30 BEEERN CC(C)[C@H]1C[C@@]2(CCO1)CC(=O)C=CO2 ZINC000069900100 373973351 /nfs/dbraw/zinc/97/33/51/373973351.db2.gz CLVNEBYPXFDVOA-VXGBXAGGSA-N 0 0 210.273 2.063 10 30 BEEERN CC(C)[C@@H]1C[C@@]2(CCO1)CC(=O)C=CO2 ZINC000069900095 373973859 /nfs/dbraw/zinc/97/38/59/373973859.db2.gz CLVNEBYPXFDVOA-NWDGAFQWSA-N 0 0 210.273 2.063 10 30 BEEERN O=[N+]([O-])c1cccc2c1C[C@@H](CS)C2 ZINC000095080679 182948614 /nfs/dbraw/zinc/94/86/14/182948614.db2.gz DDSVTXDUWCAAQP-ZETCQYMHSA-N 0 0 209.270 2.239 10 30 BEEERN OCCC#Cc1ccc(COCC2CC2)cc1 ZINC000049621299 183042224 /nfs/dbraw/zinc/04/22/24/183042224.db2.gz QLKLCMJKZLEESB-UHFFFAOYSA-N 0 0 230.307 2.347 10 30 BEEERN OCCC#Cc1ccc(COCC2CC2)c(F)c1 ZINC000049621305 183042426 /nfs/dbraw/zinc/04/24/26/183042426.db2.gz LGGKEQTVCDVFPJ-UHFFFAOYSA-N 0 0 248.297 2.486 10 30 BEEERN OCC#Cc1ccc(COCC(F)(F)F)cc1 ZINC000049619918 183032132 /nfs/dbraw/zinc/03/21/32/183032132.db2.gz GRVQJHOREJTAOT-UHFFFAOYSA-N 0 0 244.212 2.109 10 30 BEEERN CCN(CCC#N)c1c(N)ccc(F)c1F ZINC000053166962 169815430 /nfs/dbraw/zinc/81/54/30/169815430.db2.gz KJOCYXYUXUYEDZ-UHFFFAOYSA-N 0 0 225.242 2.287 10 30 BEEERN Oc1cccc(CN=Nc2ccc(Cl)nn2)c1 ZINC000006566392 183288016 /nfs/dbraw/zinc/28/80/16/183288016.db2.gz VHPREQPGRNUUEV-NTUHNPAUSA-N 0 0 248.673 2.282 10 30 BEEERN CCCNC(=O)CCNc1cc(C)ccc1C#N ZINC000051580341 169218211 /nfs/dbraw/zinc/21/82/11/169218211.db2.gz NPCRPBZUHSPWOQ-UHFFFAOYSA-N 0 0 245.326 2.195 10 30 BEEERN CCCNC(=O)[C@H](C)Nc1cc(C)ccc1C#N ZINC000051579891 169247542 /nfs/dbraw/zinc/24/75/42/169247542.db2.gz KBOQQGFZOCQIHX-NSHDSACASA-N 0 0 245.326 2.193 10 30 BEEERN CCCN[C@@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000037902546 169284154 /nfs/dbraw/zinc/28/41/54/169284154.db2.gz WZNNGKSWBHFEKL-AWEZNQCLSA-N 0 0 231.343 2.491 10 30 BEEERN CCCN[C@H](C#N)COc1cc(F)ccc1F ZINC000071168332 169284412 /nfs/dbraw/zinc/28/44/12/169284412.db2.gz ZCKYBFXQZOUIAX-SNVBAGLBSA-N 0 0 240.253 2.235 10 30 BEEERN CCCN[C@@H](C#N)c1ccc(OC)cc1 ZINC000020173441 169273027 /nfs/dbraw/zinc/27/30/27/169273027.db2.gz YHIWWKGTLPUFOV-LBPRGKRZSA-N 0 0 204.273 2.259 10 30 BEEERN CCCN[C@@H](C#N)CN1CCC(C)(CC)CC1 ZINC000062955941 169273957 /nfs/dbraw/zinc/27/39/57/169273957.db2.gz SUTVKVMIDBINPA-ZDUSSCGKSA-N 0 0 237.391 2.390 10 30 BEEERN CCCN[C@](C)(C#N)CN1Cc2ccccc2C1 ZINC000050912099 169292375 /nfs/dbraw/zinc/29/23/75/169292375.db2.gz IGNHPMGHAUITMR-OAHLLOKOSA-N 0 0 243.354 2.284 10 30 BEEERN CCCN[C@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000037902547 169292556 /nfs/dbraw/zinc/29/25/56/169292556.db2.gz WZNNGKSWBHFEKL-CQSZACIVSA-N 0 0 231.343 2.491 10 30 BEEERN CCCSc1cc(C)nc2c(C#N)ncn21 ZINC000038885904 169341037 /nfs/dbraw/zinc/34/10/37/169341037.db2.gz HXIGWXBQFCSSCY-UHFFFAOYSA-N 0 0 232.312 2.412 10 30 BEEERN CCC[C@@H](C#N)CNC(=O)OC(C)(C)C ZINC000039093653 169342656 /nfs/dbraw/zinc/34/26/56/169342656.db2.gz DQEPVKHYMURUHY-VIFPVBQESA-N 0 0 212.293 2.451 10 30 BEEERN CCCOc1nc(N(CC)CCC#N)ccc1N ZINC000042450609 169328136 /nfs/dbraw/zinc/32/81/36/169328136.db2.gz FWFLTEVJFQUBRJ-UHFFFAOYSA-N 0 0 248.330 2.193 10 30 BEEERN CCC[C@@H](C)C(=O)NC1(C#N)CCCC1 ZINC000040216332 169349516 /nfs/dbraw/zinc/34/95/16/169349516.db2.gz DTRIVGQKWYUUGL-SNVBAGLBSA-N 0 0 208.305 2.375 10 30 BEEERN CC(C)(C)OC(=O)N1CCC(C#N)(C#N)CC1 ZINC000049827326 166647123 /nfs/dbraw/zinc/64/71/23/166647123.db2.gz OYSRIWSEDUHYOO-UHFFFAOYSA-N 0 0 235.287 2.051 10 30 BEEERN Cc1nc(C)c(C(=O)N[C@H]2CCC[C@@H]2C#N)s1 ZINC000225124155 134351122 /nfs/dbraw/zinc/35/11/22/134351122.db2.gz TZKVKOHEBUVQCF-ZJUUUORDSA-N 0 0 249.339 2.182 10 30 BEEERN COc1c(C#N)ccc([C@@H]2CO2)c1Cl ZINC000113504647 383988368 /nfs/dbraw/zinc/98/83/68/383988368.db2.gz YVQCIQLUAKOUEH-QMMMGPOBSA-N 0 0 209.632 2.292 10 30 BEEERN N#Cc1c[nH]c(-c2nc([C@@H]3CC34CC4)no2)c1 ZINC000334965699 383988760 /nfs/dbraw/zinc/98/87/60/383988760.db2.gz ANBOPAXQPDSMBY-QMMMGPOBSA-N 0 0 226.239 2.204 10 30 BEEERN O=C1C=CC2=C(Cl)C(=O)C=CC2=C1Cl ZINC000002507560 383965979 /nfs/dbraw/zinc/96/59/79/383965979.db2.gz YQFGMPQXVQIUEC-UHFFFAOYSA-N 0 0 227.046 2.250 10 30 BEEERN Cc1nc(N2C[C@H]3CCC[C@@H]32)ccc1C#N ZINC000335855321 384024801 /nfs/dbraw/zinc/02/48/01/384024801.db2.gz WMUSLKIVYVLHTB-NEPJUHHUSA-N 0 0 213.284 2.250 10 30 BEEERN O=CCCCc1cc(C(=O)NC2CC2)ccc1F ZINC000039073077 384101402 /nfs/dbraw/zinc/10/14/02/384101402.db2.gz KCWHYXJCQGDYBB-UHFFFAOYSA-N 0 0 249.285 2.240 10 30 BEEERN CO/C=C(\C(C)=O)C(=O)c1ccc(C)cc1 ZINC000072416124 384111414 /nfs/dbraw/zinc/11/14/14/384111414.db2.gz SRIDKDPPDMYCRY-XYOKQWHBSA-N 0 0 218.252 2.297 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1ccc(F)cc1C#N ZINC000134402697 384259886 /nfs/dbraw/zinc/25/98/86/384259886.db2.gz FXWQSVKPFITMBW-KWQFWETISA-N 0 0 220.247 2.287 10 30 BEEERN C[C@H](C#N)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC000335450014 384284675 /nfs/dbraw/zinc/28/46/75/384284675.db2.gz LPSYMJIWYIRFNN-RKDXNWHRSA-N 0 0 230.258 2.182 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1sccc1F ZINC000335570618 384334310 /nfs/dbraw/zinc/33/43/10/384334310.db2.gz VQHGSKUOKXSMLN-CBAPKCEASA-N 0 0 238.287 2.309 10 30 BEEERN N#Cc1ccc(-c2ncccc2O)s1 ZINC000156699152 384395014 /nfs/dbraw/zinc/39/50/14/384395014.db2.gz KJFAHZXSXOFBRK-UHFFFAOYSA-N 0 0 202.238 2.387 10 30 BEEERN Cc1nnc([C@@H](C)Nc2cc(C#N)ccn2)s1 ZINC000286868222 384408684 /nfs/dbraw/zinc/40/86/84/384408684.db2.gz NGTZFJVUYKFYEC-SSDOTTSWSA-N 0 0 245.311 2.286 10 30 BEEERN COc1cc(CC#N)cc(C=O)c1OC(F)F ZINC000575661208 384415988 /nfs/dbraw/zinc/41/59/88/384415988.db2.gz HXIJYRLCBQUROA-UHFFFAOYSA-N 0 0 241.193 2.175 10 30 BEEERN N#CCc1cc(F)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575662067 384420555 /nfs/dbraw/zinc/42/05/55/384420555.db2.gz WDYSXPYVTPCGHC-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN C[C@H]1C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235594989 384465562 /nfs/dbraw/zinc/46/55/62/384465562.db2.gz ASSLJCLUUKQUGS-CRCLSJGQSA-N 0 0 213.693 2.488 10 30 BEEERN COC[C@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000175802410 384503401 /nfs/dbraw/zinc/50/34/01/384503401.db2.gz SWGQCZYXXLGGPK-QWRGUYRKSA-N 0 0 247.294 2.445 10 30 BEEERN CC(C)(C)[C@@H](O)COc1cc(F)cc(C#N)c1 ZINC000290048756 384570764 /nfs/dbraw/zinc/57/07/64/384570764.db2.gz HZIPFPXWJIYMCL-LBPRGKRZSA-N 0 0 237.274 2.483 10 30 BEEERN CCc1cc(/C=N\O)c(OC)cc1OC ZINC000100259619 384627734 /nfs/dbraw/zinc/62/77/34/384627734.db2.gz BBMVMIIUKLSXFB-GHXNOFRVSA-N 0 0 209.245 2.074 10 30 BEEERN CCOc1cc(C)c([N+](=O)[O-])c(C#N)c1 ZINC000521400236 384628999 /nfs/dbraw/zinc/62/89/99/384628999.db2.gz HBPPDNBBKVKAQL-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCCO1 ZINC000103142385 384598402 /nfs/dbraw/zinc/59/84/02/384598402.db2.gz GYHVHSWZSLMXEI-AWEZNQCLSA-N 0 0 248.301 2.308 10 30 BEEERN O=C[C@@]12CC=CC[C@H]1[C@@H]1CC=CC[C@H]1O2 ZINC000100446469 384641222 /nfs/dbraw/zinc/64/12/22/384641222.db2.gz XNYGOEGATLFFOX-RVMXOQNASA-N 0 0 204.269 2.255 10 30 BEEERN Cc1ccc(NC=C2C(=O)CCC2=O)cc1 ZINC000100675648 384652118 /nfs/dbraw/zinc/65/21/18/384652118.db2.gz AQLAZYDOJSCDOC-UHFFFAOYSA-N 0 0 215.252 2.223 10 30 BEEERN C=C(C)Cn1cc(C(N)=O)c(-c2ccccc2)n1 ZINC000103920813 384652614 /nfs/dbraw/zinc/65/26/14/384652614.db2.gz RKEFOHNIHGFIHT-UHFFFAOYSA-N 0 0 241.294 2.225 10 30 BEEERN CC[C@@H](C#N)NC(=O)Cc1ccc(C)s1 ZINC000102352223 384707400 /nfs/dbraw/zinc/70/74/00/384707400.db2.gz KGNJMOJQDFAOIV-VIFPVBQESA-N 0 0 222.313 2.017 10 30 BEEERN N#Cc1cncc(Oc2ccc(C=O)cc2C#N)c1 ZINC000098180820 384733602 /nfs/dbraw/zinc/73/36/02/384733602.db2.gz OVRKWGBQKLHFCM-UHFFFAOYSA-N 0 0 249.229 2.430 10 30 BEEERN CC(C)(C)OC(=O)NCc1ncc(C#N)s1 ZINC000098181558 384736271 /nfs/dbraw/zinc/73/62/71/384736271.db2.gz ZSQARDQMIGWDBZ-UHFFFAOYSA-N 0 0 239.300 2.039 10 30 BEEERN O=CC[C@@H]1CC(=O)c2c(O)cccc2S1 ZINC000013736561 384754643 /nfs/dbraw/zinc/75/46/43/384754643.db2.gz LMAUFIVWQOTBKF-SSDOTTSWSA-N 0 0 222.265 2.028 10 30 BEEERN C#CCN(C)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000191099327 384822345 /nfs/dbraw/zinc/82/23/45/384822345.db2.gz OZBMKFPXVQWGCY-OLZOCXBDSA-N 0 0 219.328 2.294 10 30 BEEERN CC[C@@H](O)CCNc1cc(C)nc(C)c1C#N ZINC000158085677 384791656 /nfs/dbraw/zinc/79/16/56/384791656.db2.gz PFZLFJUPQLPYCT-LLVKDONJSA-N 0 0 233.315 2.143 10 30 BEEERN CCOc1cc(N)c(OC(F)F)c(CC#N)c1 ZINC000575716306 384871863 /nfs/dbraw/zinc/87/18/63/384871863.db2.gz QGFWWQYGRFSORZ-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN CCc1cc(CC#N)c(OC(F)F)cc1N ZINC000575716095 384877715 /nfs/dbraw/zinc/87/77/15/384877715.db2.gz JKAIHXXHEHOIMF-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN Cc1ccc(CC#N)c(OC(F)F)c1N ZINC000575718079 384888131 /nfs/dbraw/zinc/88/81/31/384888131.db2.gz YFCHUQLEDLOVOD-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN Cc1cc(N)c(Br)c(CC#N)c1 ZINC000575714944 384867416 /nfs/dbraw/zinc/86/74/16/384867416.db2.gz QEBDWRUHRWEBPW-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN C#CCCCCNc1ccc(SC)nn1 ZINC000301651233 384904290 /nfs/dbraw/zinc/90/42/90/384904290.db2.gz SBYJEBPKYXPHMP-UHFFFAOYSA-N 0 0 221.329 2.414 10 30 BEEERN N#CCCCOc1cc(Cl)ccc1C(N)=O ZINC000128092685 384993890 /nfs/dbraw/zinc/99/38/90/384993890.db2.gz GDOKUOLEORWHRC-UHFFFAOYSA-N 0 0 238.674 2.121 10 30 BEEERN CCC(C)(C)NC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000336620899 385049021 /nfs/dbraw/zinc/04/90/21/385049021.db2.gz QGRQKKLVVPYQBX-NXEZZACHSA-N 0 0 223.320 2.166 10 30 BEEERN CCC(C)(C)NC(=O)N[C@H]1CCC[C@H]1C#N ZINC000336620900 385049046 /nfs/dbraw/zinc/04/90/46/385049046.db2.gz QGRQKKLVVPYQBX-UWVGGRQHSA-N 0 0 223.320 2.166 10 30 BEEERN N#Cc1cnc(N2C[C@@H]3CCCCC[C@@H]32)cn1 ZINC000364282349 385027326 /nfs/dbraw/zinc/02/73/26/385027326.db2.gz WLDHZNXMIVYHDV-JQWIXIFHSA-N 0 0 228.299 2.117 10 30 BEEERN C[C@](N)(C#N)c1cccc(C(F)(F)F)c1 ZINC000022175592 385095283 /nfs/dbraw/zinc/09/52/83/385095283.db2.gz QKMQKDXDZBHTHP-VIFPVBQESA-N 0 0 214.190 2.403 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC000408331288 385162409 /nfs/dbraw/zinc/16/24/09/385162409.db2.gz QJXRAJHAWFJQDE-SDDRHHMPSA-N 0 0 218.300 2.151 10 30 BEEERN Cc1cc(C#Cc2ccccc2)nc(C)n1 ZINC000059200553 385320128 /nfs/dbraw/zinc/32/01/28/385320128.db2.gz PUQVUIISGLQJFJ-UHFFFAOYSA-N 0 0 208.264 2.493 10 30 BEEERN N#C[C@@H](N)CC1=Cc2c(F)cccc2CC1 ZINC000238654419 385260936 /nfs/dbraw/zinc/26/09/36/385260936.db2.gz RNCAHUKHESQHTH-NSHDSACASA-N 0 0 216.259 2.396 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cncc(Cl)c1 ZINC000307953725 385358216 /nfs/dbraw/zinc/35/82/16/385358216.db2.gz KHBLSHOKLSRYMW-LDYMZIIASA-N 0 0 249.701 2.157 10 30 BEEERN CC#CCCNc1nc(C)nc(C)c1F ZINC000309077502 385399639 /nfs/dbraw/zinc/39/96/39/385399639.db2.gz MHELYSUWAFTQLH-UHFFFAOYSA-N 0 0 207.252 2.058 10 30 BEEERN C[C@H]1C[C@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181505406 385413805 /nfs/dbraw/zinc/41/38/05/385413805.db2.gz FUHUAPIQUPGQQJ-GXFFZTMASA-N 0 0 240.306 2.380 10 30 BEEERN N#Cc1cccnc1N[C@H]1CCC[C@@H]1C#N ZINC000390821926 385440329 /nfs/dbraw/zinc/44/03/29/385440329.db2.gz ZWQNEGNDUPOSKP-KOLCDFICSA-N 0 0 212.256 2.057 10 30 BEEERN Cc1c([N+](=O)[O-])cnn1Cc1ccc(C#N)cc1 ZINC000584599042 385466017 /nfs/dbraw/zinc/46/60/17/385466017.db2.gz IZJPTUSFOVBOTJ-UHFFFAOYSA-N 0 0 242.238 2.020 10 30 BEEERN COc1ncc(-c2ccc(C#N)cc2)cc1C=O ZINC000584599212 385469098 /nfs/dbraw/zinc/46/90/98/385469098.db2.gz UUIAAWXVPMSKDK-UHFFFAOYSA-N 0 0 238.246 2.441 10 30 BEEERN Cc1ccnc(N[C@H]2CCC[C@H]2C#N)c1C#N ZINC000408182995 385631561 /nfs/dbraw/zinc/63/15/61/385631561.db2.gz NQDOBZCORGBKLV-JQWIXIFHSA-N 0 0 226.283 2.366 10 30 BEEERN COc1sc(SC)cc1C=NO ZINC000254823051 385696240 /nfs/dbraw/zinc/69/62/40/385696240.db2.gz JLUPPNXAWYLIBY-UHFFFAOYSA-N 0 0 203.288 2.287 10 30 BEEERN C=C(C)CNS(=O)(=O)c1ccc(CC)s1 ZINC000122675261 385713970 /nfs/dbraw/zinc/71/39/70/385713970.db2.gz CRZDXMXKQUMBGO-UHFFFAOYSA-N 0 0 245.369 2.165 10 30 BEEERN Cn1nccc1CNc1c(F)cc(C#N)cc1F ZINC000133616901 385782351 /nfs/dbraw/zinc/78/23/51/385782351.db2.gz ZDDZQQGZOJZHET-UHFFFAOYSA-N 0 0 248.236 2.182 10 30 BEEERN CCCCCCCC[C@H](N)C(=O)OC ZINC000064437052 385820491 /nfs/dbraw/zinc/82/04/91/385820491.db2.gz MCUKSQZXVSZPAW-JTQLQIEISA-N 0 0 201.310 2.237 10 30 BEEERN O=CC[C@H](O)c1ccsc1Br ZINC000575541992 385952975 /nfs/dbraw/zinc/95/29/75/385952975.db2.gz KFOKSBDFZGWJOA-LURJTMIESA-N 0 0 235.102 2.133 10 30 BEEERN O=CC[C@@H](O)c1ccsc1Br ZINC000575541993 385953826 /nfs/dbraw/zinc/95/38/26/385953826.db2.gz KFOKSBDFZGWJOA-ZCFIWIBFSA-N 0 0 235.102 2.133 10 30 BEEERN CCOC(=O)c1cc(F)c(F)c(C#N)c1 ZINC000261291259 386015312 /nfs/dbraw/zinc/01/53/12/386015312.db2.gz LRKNVCRSZDRDFK-UHFFFAOYSA-N 0 0 211.167 2.013 10 30 BEEERN CC1(NC(=O)C#CBr)CCCCC1 ZINC000307349687 386107972 /nfs/dbraw/zinc/10/79/72/386107972.db2.gz GUQVSTQLWJOFQT-UHFFFAOYSA-N 0 0 244.132 2.181 10 30 BEEERN Cc1cnccc1C(=O)C1=COCCC1 ZINC000160031215 386100039 /nfs/dbraw/zinc/10/00/39/386100039.db2.gz XXJJBIHLIKSBQL-UHFFFAOYSA-N 0 0 203.241 2.267 10 30 BEEERN CCC1(CNc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000232951987 386158000 /nfs/dbraw/zinc/15/80/00/386158000.db2.gz AFSHJTQBHOPXQP-UHFFFAOYSA-N 0 0 246.270 2.464 10 30 BEEERN C=CCCCN(C)C(=O)c1ccc(F)nc1 ZINC000125088206 386221462 /nfs/dbraw/zinc/22/14/62/386221462.db2.gz MMRNIDBGCDWZMG-UHFFFAOYSA-N 0 0 222.263 2.259 10 30 BEEERN C#Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000090628115 386252719 /nfs/dbraw/zinc/25/27/19/386252719.db2.gz FZEAKLPROMKGPH-UHFFFAOYSA-N 0 0 218.256 2.410 10 30 BEEERN CN[C@@](C)(C#N)c1cccc(Br)c1 ZINC000040176502 386271000 /nfs/dbraw/zinc/27/10/00/386271000.db2.gz HAVXEHGUBNNTAB-JTQLQIEISA-N 0 0 239.116 2.407 10 30 BEEERN CC(C)C(=O)N[C@H](C#N)c1cccs1 ZINC000049814273 166725379 /nfs/dbraw/zinc/72/53/79/166725379.db2.gz XBPWPROZCOKICI-MRVPVSSYSA-N 0 0 208.286 2.085 10 30 BEEERN C[C@@H]1CCC[C@H](CC(=O)NCCC#N)C1 ZINC000408370683 386461916 /nfs/dbraw/zinc/46/19/16/386461916.db2.gz OINQKUAQQLCJKH-MNOVXSKESA-N 0 0 208.305 2.233 10 30 BEEERN CC(C)(C)CC(=O)N[C@H]1CCC[C@H]1C#N ZINC000061888602 386553806 /nfs/dbraw/zinc/55/38/06/386553806.db2.gz ZSKFNQMYXDDMNT-UWVGGRQHSA-N 0 0 208.305 2.231 10 30 BEEERN C=CCCC(=O)Nc1ncc(C(C)=O)s1 ZINC000118632022 134503942 /nfs/dbraw/zinc/50/39/42/134503942.db2.gz ZBZZLDWINJNRKC-UHFFFAOYSA-N 0 0 224.285 2.250 10 30 BEEERN C[C@@H](C(=O)N[C@H](C#N)C1CC1)c1ccccc1 ZINC000123749863 386560911 /nfs/dbraw/zinc/56/09/11/386560911.db2.gz GXVKULJSNQMMDA-ZWNOBZJWSA-N 0 0 228.295 2.208 10 30 BEEERN C[C@H](C(=O)N[C@@H](C#N)C1CC1)c1ccccc1 ZINC000123749186 386561991 /nfs/dbraw/zinc/56/19/91/386561991.db2.gz GXVKULJSNQMMDA-GWCFXTLKSA-N 0 0 228.295 2.208 10 30 BEEERN NC(=O)c1ccccc1C#Cc1ccccc1 ZINC000002444876 386675763 /nfs/dbraw/zinc/67/57/63/386675763.db2.gz IEFPMGGLOAFVMU-UHFFFAOYSA-N 0 0 221.259 2.185 10 30 BEEERN CC1(c2noc(-c3ccc(C#N)cn3)n2)CC1 ZINC000232846223 386686961 /nfs/dbraw/zinc/68/69/61/386686961.db2.gz AQIBXGRMDBIWIA-UHFFFAOYSA-N 0 0 226.239 2.055 10 30 BEEERN CCOC(=O)Cc1cc(CC)cc(F)c1C#N ZINC000575344438 386692089 /nfs/dbraw/zinc/69/20/89/386692089.db2.gz MWFQPPGXKFMUMO-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN C#C[C@H](C)N(C)c1csc(Cl)n1 ZINC000306925687 386713533 /nfs/dbraw/zinc/71/35/33/386713533.db2.gz NFWSIOOYCQTHDX-LURJTMIESA-N 0 0 200.694 2.254 10 30 BEEERN COC(=O)CCCC(=O)c1ccccc1C#N ZINC000575361773 386763672 /nfs/dbraw/zinc/76/36/72/386763672.db2.gz GGOGKONBBICDGY-UHFFFAOYSA-N 0 0 231.251 2.084 10 30 BEEERN COC(=O)CCCCC(=O)c1ccccc1C#N ZINC000575361764 386763979 /nfs/dbraw/zinc/76/39/79/386763979.db2.gz FZNDAJQIWHBGBR-UHFFFAOYSA-N 0 0 245.278 2.474 10 30 BEEERN C#Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000005177729 386802032 /nfs/dbraw/zinc/80/20/32/386802032.db2.gz BWYCMGALMAVVIV-UHFFFAOYSA-N 0 0 247.253 2.026 10 30 BEEERN CCOC(=O)c1c(CC)ccc(C#N)c1C=O ZINC000575387614 386946824 /nfs/dbraw/zinc/94/68/24/386946824.db2.gz LNDFFEKZKJUZOI-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN COC(=O)c1cc(C#N)c(F)cc1OC(F)F ZINC000575385979 386947159 /nfs/dbraw/zinc/94/71/59/386947159.db2.gz RKIBKVOLNNJCIM-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN CCOC(=O)Cc1ccc(C#N)c(C=O)c1CC ZINC000575387610 386947218 /nfs/dbraw/zinc/94/72/18/386947218.db2.gz 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2.110 10 30 BEEERN CCOC(=O)c1cc(C=O)c(C#N)cc1CC ZINC000575387788 386956213 /nfs/dbraw/zinc/95/62/13/386956213.db2.gz URZSHGNJQPWRBA-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN CCOC(=O)Cc1cc(C=O)c(C#N)c(CC)c1 ZINC000575387828 386957522 /nfs/dbraw/zinc/95/75/22/386957522.db2.gz WRCSOJUKXYPUOQ-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)c1cc(OC)c(CC)cc1C#N ZINC000575387957 386958242 /nfs/dbraw/zinc/95/82/42/386958242.db2.gz ANUFOACMTPYGRX-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CCOC(=O)Cc1ccc(OC)c(CC)c1C#N ZINC000575387986 386958860 /nfs/dbraw/zinc/95/88/60/386958860.db2.gz HBCFIHSEJCELLN-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN CCOC(=O)c1c(CC)ccc(C#N)c1OC ZINC000575388034 386958915 /nfs/dbraw/zinc/95/89/15/386958915.db2.gz NUHFFTXWGBFGOA-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN COC(=O)c1c(O)ccc(C(F)(F)F)c1C#N ZINC000575392338 386963475 /nfs/dbraw/zinc/96/34/75/386963475.db2.gz UEWKDQONMDLLFH-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN COC(=O)c1cc(C#N)c(C(F)(F)F)cc1O ZINC000575392187 386964948 /nfs/dbraw/zinc/96/49/48/386964948.db2.gz OJTRHMJHQWQYPD-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN CCOC(=O)c1c(O)ccc(C(F)F)c1C#N ZINC000575387447 386948890 /nfs/dbraw/zinc/94/88/90/386948890.db2.gz GFDSBHDPJUUTHP-UHFFFAOYSA-N 0 0 241.193 2.378 10 30 BEEERN CCOC(=O)Cc1c(C=O)ccc(CC)c1C#N ZINC000575387521 386949118 /nfs/dbraw/zinc/94/91/18/386949118.db2.gz AVSBFEMQEMKQQU-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)c1ccc(C=O)c(CC)c1C#N ZINC000575387540 386949474 /nfs/dbraw/zinc/94/94/74/386949474.db2.gz FABNQWGFRQMMGM-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN CCOC(=O)Cc1c(CC)ccc(C#N)c1C=O ZINC000575387730 386949738 /nfs/dbraw/zinc/94/97/38/386949738.db2.gz QVBMXNTVXAFQHG-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)Cc1cc(C=O)c(CC)cc1C#N ZINC000575387524 386949817 /nfs/dbraw/zinc/94/98/17/386949817.db2.gz BOCMFAQWVGXWEH-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)c1c(O)cc(C#N)cc1C(F)F ZINC000575387693 386950914 /nfs/dbraw/zinc/95/09/14/386950914.db2.gz LTQPYOTUXZDYTB-UHFFFAOYSA-N 0 0 241.193 2.378 10 30 BEEERN CCOc1c(O)cc(OC(F)F)cc1C#N ZINC000575655882 387038360 /nfs/dbraw/zinc/03/83/60/387038360.db2.gz JDZVRMYJFOFWQF-UHFFFAOYSA-N 0 0 229.182 2.264 10 30 BEEERN N#CCc1ccc(OC(F)F)c(F)c1O ZINC000575658524 387048342 /nfs/dbraw/zinc/04/83/42/387048342.db2.gz GJNNPBFAXWGKBU-UHFFFAOYSA-N 0 0 217.146 2.199 10 30 BEEERN N#Cc1cc(F)c(OC(F)F)cc1O ZINC000575659292 387049694 /nfs/dbraw/zinc/04/96/94/387049694.db2.gz LHWYSUHUSDHWBD-UHFFFAOYSA-N 0 0 203.119 2.004 10 30 BEEERN N#CCc1c(OC(F)F)ccc(F)c1[N+](=O)[O-] ZINC000575660971 387051583 /nfs/dbraw/zinc/05/15/83/387051583.db2.gz CNJDOHYTDYJQAX-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN Cc1cc(CC#N)c(OC(F)F)cc1C=O ZINC000575660832 387054353 /nfs/dbraw/zinc/05/43/53/387054353.db2.gz AAFLOIQEDFVJCQ-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN C[C@H](CC#N)C(=O)NC1CCCCCC1 ZINC000049814301 387059279 /nfs/dbraw/zinc/05/92/79/387059279.db2.gz 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235.084 2.366 10 30 BEEERN N#C[C@@H](N)c1cscc1Br ZINC000306440833 387160789 /nfs/dbraw/zinc/16/07/89/387160789.db2.gz REOWCXZCHVSJTO-ZCFIWIBFSA-N 0 0 217.091 2.034 10 30 BEEERN CC[C@@]1(C#N)COc2c(F)ccc(F)c2O1 ZINC000536952677 387164578 /nfs/dbraw/zinc/16/45/78/387164578.db2.gz DOLQLHPVRJUYTG-LLVKDONJSA-N 0 0 225.194 2.408 10 30 BEEERN N#Cc1cc(F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575661990 387164735 /nfs/dbraw/zinc/16/47/35/387164735.db2.gz YOALRIWQMKXZTC-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN COc1c(O)c(OC(F)F)ccc1CC#N ZINC000575662602 387196275 /nfs/dbraw/zinc/19/62/75/387196275.db2.gz CQCHBXDSXIWEKX-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN COc1c(O)ccc(CC#N)c1OC(F)F ZINC000575662773 387200502 /nfs/dbraw/zinc/20/05/02/387200502.db2.gz HOIUAJIJYLJHGM-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN Cc1c(OC(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575664926 387311668 /nfs/dbraw/zinc/31/16/68/387311668.db2.gz AJKQFBGAZAOIBF-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN C[C@H]1C[C@@](C#N)(NC(=O)OC(C)(C)C)CS1 ZINC000575495980 387315288 /nfs/dbraw/zinc/31/52/88/387315288.db2.gz HAWVIIQYTLDCIY-KWQFWETISA-N 0 0 242.344 2.299 10 30 BEEERN C#CC[C@H](O)c1cc(N)ccc1Br ZINC000575502421 387356612 /nfs/dbraw/zinc/35/66/12/387356612.db2.gz WPDHKIZWALMVFF-JTQLQIEISA-N 0 0 240.100 2.088 10 30 BEEERN CCOc1cc(CC)cc([N+](=O)[O-])c1C#N ZINC000575670142 387329677 /nfs/dbraw/zinc/32/96/77/387329677.db2.gz FJSVKUJJAGRZCC-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN CCOc1cc(C#N)cc(CC)c1[N+](=O)[O-] ZINC000575670266 387331243 /nfs/dbraw/zinc/33/12/43/387331243.db2.gz HXGUCOCSAJZONJ-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN Cc1cccc(CNc2cccnc2C#N)n1 ZINC000129981152 387332513 /nfs/dbraw/zinc/33/25/13/387332513.db2.gz FIDGDMPCYHTWGN-UHFFFAOYSA-N 0 0 224.267 2.269 10 30 BEEERN CCOc1cc(C#N)c(CC)cc1[N+](=O)[O-] ZINC000575670619 387335080 /nfs/dbraw/zinc/33/50/80/387335080.db2.gz PEXNTRGXHVWMMW-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN CCOc1ccc(CC)c(C#N)c1[N+](=O)[O-] ZINC000575671003 387335794 /nfs/dbraw/zinc/33/57/94/387335794.db2.gz RRSQLZXTWLFMBL-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN COc1cc(C#N)cc(OC(F)(F)F)c1OC ZINC000575671996 387341742 /nfs/dbraw/zinc/34/17/42/387341742.db2.gz TXEPJPGGIAKFMA-UHFFFAOYSA-N 0 0 247.172 2.474 10 30 BEEERN CCOCCNc1cc(C)nc(C)c1C#N ZINC000087969413 387342707 /nfs/dbraw/zinc/34/27/07/387342707.db2.gz DJXVMLYZMIGVIK-UHFFFAOYSA-N 0 0 219.288 2.019 10 30 BEEERN N#CCc1c(N)c(O)ccc1C(F)(F)F ZINC000575719430 387426877 /nfs/dbraw/zinc/42/68/77/387426877.db2.gz URFNSCFZISOCTJ-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN N#CCc1cc(N)c(F)cc1OC(F)F ZINC000575716064 387430107 /nfs/dbraw/zinc/43/01/07/387430107.db2.gz IARZFALMEXCSAW-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN N#CCc1c(N)ccc(OC(F)F)c1F ZINC000575716042 387430434 /nfs/dbraw/zinc/43/04/34/387430434.db2.gz GTOLTWOCHRICCI-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN N#CCc1cc(OC(F)F)c(F)cc1N ZINC000575716002 387430965 /nfs/dbraw/zinc/43/09/65/387430965.db2.gz DUHITYWLRDSFAO-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN CCOc1cc(N)c(OC(F)F)cc1CC#N ZINC000575716160 387432236 /nfs/dbraw/zinc/43/22/36/387432236.db2.gz LUDCJQSJAHYRBY-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN Cc1c(N)ccc(CC#N)c1OC(F)F ZINC000575716633 387433703 /nfs/dbraw/zinc/43/37/03/387433703.db2.gz GPEWOHAFINZFMY-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN N#CCc1cc(N)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575720276 387441380 /nfs/dbraw/zinc/44/13/80/387441380.db2.gz TZEIEQVXTXBCCC-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN C=C(Cl)CNc1cnn(C)c1Cl ZINC000575522161 387443091 /nfs/dbraw/zinc/44/30/91/387443091.db2.gz YVKPKIHXYOFICF-UHFFFAOYSA-N 0 0 206.076 2.238 10 30 BEEERN CCOc1cc(CC#N)c(F)c([N+](=O)[O-])c1 ZINC000575698029 387392965 /nfs/dbraw/zinc/39/29/65/387392965.db2.gz YIAQHVCMSHDJSU-UHFFFAOYSA-N 0 0 224.191 2.199 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)c(O)c1F ZINC000575704143 387400823 /nfs/dbraw/zinc/40/08/23/387400823.db2.gz KVXJCMNEBYPFFI-UHFFFAOYSA-N 0 0 235.136 2.496 10 30 BEEERN N#CCc1c(OC(F)(F)F)ccc(F)c1CO ZINC000575704961 387408241 /nfs/dbraw/zinc/40/82/41/387408241.db2.gz DRXPFNUKGUATED-UHFFFAOYSA-N 0 0 249.163 2.283 10 30 BEEERN N#CCc1cc(N)c(F)cc1Br ZINC000575714396 387408880 /nfs/dbraw/zinc/40/88/80/387408880.db2.gz NGIGSPRVBIGWDB-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#CCc1c(F)ccc(N)c1Br ZINC000575713815 387409578 /nfs/dbraw/zinc/40/95/78/387409578.db2.gz DYRCUTMAIRMBIL-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#CCc1cc(F)c(N)c(Br)c1 ZINC000575714364 387409666 /nfs/dbraw/zinc/40/96/66/387409666.db2.gz MUDVGUKEKLLHMF-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#CCc1cc(Br)c(F)cc1N ZINC000575714460 387410961 /nfs/dbraw/zinc/41/09/61/387410961.db2.gz OPEVKXJHVZIPNW-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN Cc1ccc(CC#N)c(N)c1OC(F)F ZINC000575718034 387422617 /nfs/dbraw/zinc/42/26/17/387422617.db2.gz XPMVPSBXEPRZRD-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN C[C@H](C#N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000051632517 387800435 /nfs/dbraw/zinc/80/04/35/387800435.db2.gz MYRYJZSCXXQKCS-MFKMUULPSA-N 0 0 228.295 2.340 10 30 BEEERN N#CCc1cc(F)c(OC(F)F)cc1C#N ZINC000575639402 387836114 /nfs/dbraw/zinc/83/61/14/387836114.db2.gz HKOKLULSHGCHSB-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN N#CCc1cc(F)cc(OC(F)F)c1C#N ZINC000575641591 387842369 /nfs/dbraw/zinc/84/23/69/387842369.db2.gz WJVVOBFJNSKURH-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1ccccc1F ZINC000061888595 387846580 /nfs/dbraw/zinc/84/65/80/387846580.db2.gz UODOWMOWRQJOBR-DGCLKSJQSA-N 0 0 246.285 2.177 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1cccc(F)c1 ZINC000061888895 387848947 /nfs/dbraw/zinc/84/89/47/387848947.db2.gz YBZKSDOYHBYGMH-DGCLKSJQSA-N 0 0 246.285 2.177 10 30 BEEERN N#CCc1cc(O)cc(C#N)c1C(F)F ZINC000575642816 387863776 /nfs/dbraw/zinc/86/37/76/387863776.db2.gz JUBAEROYJVXXQT-UHFFFAOYSA-N 0 0 208.167 2.268 10 30 BEEERN CCOc1c(F)c(C#N)ccc1CC#N ZINC000575643135 387865730 /nfs/dbraw/zinc/86/57/30/387865730.db2.gz CRQQEPXIKFOZKJ-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN COc1cc(OC(F)F)cc(OC)c1CC#N ZINC000575652820 387893050 /nfs/dbraw/zinc/89/30/50/387893050.db2.gz LJLCNRUFRQRLHF-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN COc1cc(CC#N)c(OC)c(OC(F)F)c1 ZINC000575653033 387894737 /nfs/dbraw/zinc/89/47/37/387894737.db2.gz RGEBWVRAKBRSKC-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN CCc1cc(C#N)c(OC)cc1CC#N ZINC000575645894 387876141 /nfs/dbraw/zinc/87/61/41/387876141.db2.gz NHPCLNRIGXLWHX-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN CCOc1cc(F)c(CC#N)c(C#N)c1 ZINC000575647173 387880531 /nfs/dbraw/zinc/88/05/31/387880531.db2.gz YVJIFWCKSLJBAG-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCc1cc(CC#N)c(OC)cc1C#N ZINC000575647583 387883094 /nfs/dbraw/zinc/88/30/94/387883094.db2.gz TVGKWKLSCPIGCL-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN CCOc1cc(C)cc(C#N)c1CC#N ZINC000575648707 387885390 /nfs/dbraw/zinc/88/53/90/387885390.db2.gz KJMDLKSNJOGCJL-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN CCOc1cc(C#N)cc(C)c1CC#N ZINC000575651046 387885807 /nfs/dbraw/zinc/88/58/07/387885807.db2.gz UWZYISYQYWHYQM-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN CCc1cc(C#N)c(OC)c(CC#N)c1 ZINC000575649043 387886554 /nfs/dbraw/zinc/88/65/54/387886554.db2.gz ZSEZZVPNYSGJSW-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN Cc1csc([C@@H]2CCCN(CC#N)C2)n1 ZINC000195327857 387918225 /nfs/dbraw/zinc/91/82/25/387918225.db2.gz HDPCXNLFPTXULU-SNVBAGLBSA-N 0 0 221.329 2.155 10 30 BEEERN COc1cc(OC)cc([C@H]2CCN(CC#N)C2)c1 ZINC000083402896 388052092 /nfs/dbraw/zinc/05/20/92/388052092.db2.gz HYBNKKLGRIPFMS-NSHDSACASA-N 0 0 246.310 2.017 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000270797518 388367130 /nfs/dbraw/zinc/36/71/30/388367130.db2.gz SYLXCNQEWNMLGO-APPZFPTMSA-N 0 0 237.690 2.196 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1cccc(F)c1C#N ZINC000134382380 388398652 /nfs/dbraw/zinc/39/86/52/388398652.db2.gz AUPVVEAMBCYKNY-KWQFWETISA-N 0 0 220.247 2.287 10 30 BEEERN COC(=O)c1c(F)cc(C#N)cc1OC(F)F ZINC000575385750 388457985 /nfs/dbraw/zinc/45/79/85/388457985.db2.gz IJZXXKROKBDLQE-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN CCOC(=O)c1c(C#N)cc(OC)cc1CC ZINC000575388178 388467678 /nfs/dbraw/zinc/46/76/78/388467678.db2.gz ZJFQSDHABQYMFU-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CC[C@H](C)n1nc(SC)c(C#N)c1N ZINC000040930757 388428224 /nfs/dbraw/zinc/42/82/24/388428224.db2.gz CQNPFGXAXFDIRH-LURJTMIESA-N 0 0 210.306 2.030 10 30 BEEERN N#CCc1cccc2c(=O)c3cccnc3oc12 ZINC000082301970 388587174 /nfs/dbraw/zinc/58/71/74/388587174.db2.gz VEKBSXALPUHNKU-UHFFFAOYSA-N 0 0 236.230 2.407 10 30 BEEERN COc1c(F)cc(Br)cc1C#N ZINC000091301871 388612938 /nfs/dbraw/zinc/61/29/38/388612938.db2.gz CVSNMRCIGNCTTE-UHFFFAOYSA-N 0 0 230.036 2.468 10 30 BEEERN C#CCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183461212 388569886 /nfs/dbraw/zinc/56/98/86/388569886.db2.gz HQZSGDBPOVEXMW-QWRGUYRKSA-N 0 0 207.317 2.198 10 30 BEEERN C#CCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183461246 388569908 /nfs/dbraw/zinc/56/99/08/388569908.db2.gz HQZSGDBPOVEXMW-WDEREUQCSA-N 0 0 207.317 2.198 10 30 BEEERN C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000123123974 388622136 /nfs/dbraw/zinc/62/21/36/388622136.db2.gz YGDNNQYOLJNQJM-GMSGAONNSA-N 0 0 217.228 2.287 10 30 BEEERN CCCCN(C)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302691232 388625422 /nfs/dbraw/zinc/62/54/22/388625422.db2.gz CMEJSAYRXHJAJX-UHFFFAOYSA-N 0 0 234.259 2.098 10 30 BEEERN CC[C@](C)(CCO)Nc1nccc(C)c1C#N ZINC000230081701 388633906 /nfs/dbraw/zinc/63/39/06/388633906.db2.gz GPVKPRIUHLXTST-CYBMUJFWSA-N 0 0 233.315 2.225 10 30 BEEERN CCn1ccnc1COc1ccc(C#N)c(F)c1 ZINC000066748748 388685078 /nfs/dbraw/zinc/68/50/78/388685078.db2.gz MHLAYBZUJVWXHO-UHFFFAOYSA-N 0 0 245.257 2.493 10 30 BEEERN CSCCCCNC(=O)C1(C#N)CC(C)C1 ZINC000124600667 388664437 /nfs/dbraw/zinc/66/44/37/388664437.db2.gz GPIYFBJLMDTZDT-UHFFFAOYSA-N 0 0 240.372 2.186 10 30 BEEERN CSCCCNC(=O)c1ccc(C#N)cc1C ZINC000124205653 388743038 /nfs/dbraw/zinc/74/30/38/388743038.db2.gz OUFAPEBKTZXUDP-UHFFFAOYSA-N 0 0 248.351 2.350 10 30 BEEERN CC[C@@H](COC)NC(=O)c1ccc(C#N)cc1C ZINC000124688257 388752111 /nfs/dbraw/zinc/75/21/11/388752111.db2.gz VXPZCSCQAAYDJQ-LBPRGKRZSA-N 0 0 246.310 2.022 10 30 BEEERN Cc1ccc(C=Nc2ccc(C(N)=O)cc2)o1 ZINC000254443993 388754973 /nfs/dbraw/zinc/75/49/73/388754973.db2.gz FCRRFLOGIPEVND-UHFFFAOYSA-N 0 0 228.251 2.438 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)N(C)C1CCC1 ZINC000125887192 388812796 /nfs/dbraw/zinc/81/27/96/388812796.db2.gz GOJKTMGIEJRBJT-UHFFFAOYSA-N 0 0 228.295 2.491 10 30 BEEERN CO[C@@H](C=O)c1ccsc1Br ZINC000575468304 388840722 /nfs/dbraw/zinc/84/07/22/388840722.db2.gz QJQUTWLNRBVOQS-LURJTMIESA-N 0 0 235.102 2.397 10 30 BEEERN CCOC(=O)CCCC(=O)c1ccccc1C#N ZINC000575361760 388879692 /nfs/dbraw/zinc/87/96/92/388879692.db2.gz FQBBEQYLLPLSNE-UHFFFAOYSA-N 0 0 245.278 2.474 10 30 BEEERN C[C@H]1CN(c2ccccc2C#N)C[C@H](C)O1 ZINC000020076102 132329681 /nfs/dbraw/zinc/32/96/81/132329681.db2.gz XVFPSQXEIDKLIR-QWRGUYRKSA-N 0 0 216.284 2.172 10 30 BEEERN C#Cc1cccc(NC(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000191655610 533348890 /nfs/dbraw/zinc/34/88/90/533348890.db2.gz LBWWCQLUHUHFNT-SMDDNHRTSA-N 0 0 243.306 2.422 10 30 BEEERN Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(C#N)c(C)n1 ZINC000128648246 132232969 /nfs/dbraw/zinc/23/29/69/132232969.db2.gz SNLKUGSIKKPGCK-PHIMTYICSA-N 0 0 245.326 2.184 10 30 BEEERN C[C@@H]1C[C@H](C)CN(c2ccc(/C(N)=N/O)cc2)C1 ZINC000019865814 132327870 /nfs/dbraw/zinc/32/78/70/132327870.db2.gz GAEIMAJFMSOREW-PHIMTYICSA-N 0 0 247.342 2.263 10 30 BEEERN C[C@H]1CCCN(c2ccc(/C(N)=N/O)cc2)C1 ZINC000019865669 132328020 /nfs/dbraw/zinc/32/80/20/132328020.db2.gz IBQSCDLZHXJRJY-JTQLQIEISA-N 0 0 233.315 2.017 10 30 BEEERN N#Cc1c(N)cccc1N1CCCCC1 ZINC000039271590 132350955 /nfs/dbraw/zinc/35/09/55/132350955.db2.gz NJGCGPLXNSRJFG-UHFFFAOYSA-N 0 0 201.273 2.131 10 30 BEEERN CCCO[C@H]1CCCN(c2ccc(C#N)cn2)C1 ZINC000042425007 132351655 /nfs/dbraw/zinc/35/16/55/132351655.db2.gz NWDMMEZHNSJGET-ZDUSSCGKSA-N 0 0 245.326 2.349 10 30 BEEERN CCO[C@@H]1CCCN(c2ccc(N)cc2C#N)C1 ZINC000042421446 132351765 /nfs/dbraw/zinc/35/17/65/132351765.db2.gz OVGOZGSZDPHXFZ-CYBMUJFWSA-N 0 0 245.326 2.146 10 30 BEEERN CC[C@H](C#N)N1CCSc2ccc(N)cc21 ZINC000043543017 132353315 /nfs/dbraw/zinc/35/33/15/132353315.db2.gz GFNBRVDZTXHXEW-SNVBAGLBSA-N 0 0 233.340 2.483 10 30 BEEERN N/C(CCCCN1CCCc2ccccc21)=N/O ZINC000049580139 132356227 /nfs/dbraw/zinc/35/62/27/132356227.db2.gz JKHVOCHDGGRXRN-UHFFFAOYSA-N 0 0 247.342 2.356 10 30 BEEERN C[C@H]1Oc2ccccc2N(CCCCC#N)C1=O ZINC000049579487 132356257 /nfs/dbraw/zinc/35/62/57/132356257.db2.gz AGCIYEXGEFSMPL-LLVKDONJSA-N 0 0 244.294 2.494 10 30 BEEERN O=C[C@H]1CCCCN1c1ncnc2sccc21 ZINC000054268209 132363824 /nfs/dbraw/zinc/36/38/24/132363824.db2.gz TULTYGDSZLQMJI-SECBINFHSA-N 0 0 247.323 2.249 10 30 BEEERN Cc1c([N+](=O)[O-])cccc1N1CCCC[C@@H]1C=O ZINC000062724872 132388784 /nfs/dbraw/zinc/38/87/84/132388784.db2.gz BQLXZBIXHMRQQI-LLVKDONJSA-N 0 0 248.282 2.461 10 30 BEEERN CC(C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC000125686791 132439593 /nfs/dbraw/zinc/43/95/93/132439593.db2.gz RISCIQADLQVYQC-UHFFFAOYSA-N 0 0 230.315 2.221 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000300239658 133495866 /nfs/dbraw/zinc/49/58/66/133495866.db2.gz AKNNIRUWMXYZPO-RHYQMDGZSA-N 0 0 220.316 2.231 10 30 BEEERN C[C@H](CC(=O)N[C@@H](C#N)C1CC1)C(C)(C)C ZINC000070976661 133643633 /nfs/dbraw/zinc/64/36/33/133643633.db2.gz HEYCKGHZOOQIEA-KOLCDFICSA-N 0 0 222.332 2.477 10 30 BEEERN CCC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233433398 133668057 /nfs/dbraw/zinc/66/80/57/133668057.db2.gz YGWLWLXLVQBSHE-DTWKUNHWSA-N 0 0 246.270 2.462 10 30 BEEERN C[C@H](C[C@@H]1CCCO1)NC(=O)[C@H]1CCC(=O)N1 ZINC000329133222 133961767 /nfs/dbraw/zinc/96/17/67/133961767.db2.gz YWXNLOADHUBFSC-KXUCPTDWSA-N 0 0 240.303 2.019 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1(C#N)CCCCC1 ZINC000336080273 134075217 /nfs/dbraw/zinc/07/52/17/134075217.db2.gz FXZHHVMPUOQZFB-NEPJUHHUSA-N 0 0 245.326 2.269 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1(C#N)CCCCC1 ZINC000336080275 134075364 /nfs/dbraw/zinc/07/53/64/134075364.db2.gz FXZHHVMPUOQZFB-RYUDHWBXSA-N 0 0 245.326 2.269 10 30 BEEERN N#CC1(C(=O)N2CCCC[C@@H]2C(F)F)CCC1 ZINC000336382779 134145492 /nfs/dbraw/zinc/14/54/92/134145492.db2.gz WXMNJARABUCGKH-SECBINFHSA-N 0 0 242.269 2.326 10 30 BEEERN N#CC1(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000121002154 134231208 /nfs/dbraw/zinc/23/12/08/134231208.db2.gz NQTJRHXIPNSHQG-NEPJUHHUSA-N 0 0 232.327 2.375 10 30 BEEERN Cc1nc(C(=O)N[C@@H](C)CC2CC2)ccc1C#N ZINC000171998700 134263866 /nfs/dbraw/zinc/26/38/66/134263866.db2.gz LMLBAJNRWOVOOC-VIFPVBQESA-N 0 0 243.310 2.180 10 30 BEEERN C#CCCCCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000179773835 134323382 /nfs/dbraw/zinc/32/33/82/134323382.db2.gz UUFCCMBTXFAMPD-KGLIPLIRSA-N 0 0 249.354 2.350 10 30 BEEERN C[C@@H](C#N)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186637682 134427122 /nfs/dbraw/zinc/42/71/22/134427122.db2.gz QIFDGIBFUCEDFS-SMDDNHRTSA-N 0 0 228.295 2.030 10 30 BEEERN CC[C@H](C)c1noc(-c2cc(C#N)cn2C)n1 ZINC000230995768 134537467 /nfs/dbraw/zinc/53/74/67/134537467.db2.gz RAXXFSIXCDLVHW-QMMMGPOBSA-N 0 0 230.271 2.460 10 30 BEEERN Cc1cnc([C@@H](C)Nc2ccc(C#N)nc2)o1 ZINC000235241681 134590250 /nfs/dbraw/zinc/59/02/50/134590250.db2.gz PRRARDJYMZDERS-SECBINFHSA-N 0 0 228.255 2.423 10 30 BEEERN N#CC1(C(=O)NCc2cscn2)CCCCC1 ZINC000050403026 134660718 /nfs/dbraw/zinc/66/07/18/134660718.db2.gz BHQZCKPSECMJGY-UHFFFAOYSA-N 0 0 249.339 2.233 10 30 BEEERN Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061888665 134802860 /nfs/dbraw/zinc/80/28/60/134802860.db2.gz QHGCDEWKGQSHIQ-VHSXEESVSA-N 0 0 234.324 2.479 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1 ZINC000061889111 134803967 /nfs/dbraw/zinc/80/39/67/134803967.db2.gz NLMCNABEVCDPDC-ZYHUDNBSSA-N 0 0 232.258 2.248 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccsc1 ZINC000061888970 134804500 /nfs/dbraw/zinc/80/45/00/134804500.db2.gz AMHQUHJTLMENPE-WPRPVWTQSA-N 0 0 220.297 2.170 10 30 BEEERN Cc1cc(C(=O)N[C@@H](C#N)C2CC2)sc1C ZINC000108842562 134931791 /nfs/dbraw/zinc/93/17/91/134931791.db2.gz KWIGJPKXBMVGQS-JTQLQIEISA-N 0 0 234.324 2.397 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCCS1 ZINC000250895415 135060594 /nfs/dbraw/zinc/06/05/94/135060594.db2.gz YKQTVHKRZNXOLY-GARJFASQSA-N 0 0 238.356 2.081 10 30 BEEERN N#CCc1ccc(Br)c(N)c1 ZINC000238655715 135077185 /nfs/dbraw/zinc/07/71/85/135077185.db2.gz CGWAPESLHIEWIX-UHFFFAOYSA-N 0 0 211.062 2.097 10 30 BEEERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000252649423 135093042 /nfs/dbraw/zinc/09/30/42/135093042.db2.gz WYPJNFWAUIMDGB-GRYCIOLGSA-N 0 0 235.331 2.120 10 30 BEEERN N#CC1(CN2CCC(F)(F)C2)CCC1 ZINC000259508335 135143199 /nfs/dbraw/zinc/14/31/99/135143199.db2.gz ORUQRPMJMALQKC-UHFFFAOYSA-N 0 0 200.232 2.021 10 30 BEEERN Cc1csc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000259662146 135144116 /nfs/dbraw/zinc/14/41/16/135144116.db2.gz AMIHDXUPODWFPH-VHSXEESVSA-N 0 0 234.324 2.479 10 30 BEEERN N#CCNc1nc(C(F)(F)F)cs1 ZINC000302352004 135224169 /nfs/dbraw/zinc/22/41/69/135224169.db2.gz YLGOQHQDBHYBHC-UHFFFAOYSA-N 0 0 207.180 2.097 10 30 BEEERN CC#CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000121382997 135224655 /nfs/dbraw/zinc/22/46/55/135224655.db2.gz CPGCUSZFGJUKSW-MNOVXSKESA-N 0 0 249.260 2.208 10 30 BEEERN C=C(C)Cn1c(C)nnc1NC(C)(C)C ZINC000291068607 135375285 /nfs/dbraw/zinc/37/52/85/135375285.db2.gz DUJXOMIJOPIDJK-UHFFFAOYSA-N 0 0 208.309 2.373 10 30 BEEERN COc1cc(OC)cc([C@@H]2CCN(CC#N)C2)c1 ZINC000083402893 135447218 /nfs/dbraw/zinc/44/72/18/135447218.db2.gz HYBNKKLGRIPFMS-LLVKDONJSA-N 0 0 246.310 2.017 10 30 BEEERN Cn1cncc1CCC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000328806559 135465336 /nfs/dbraw/zinc/46/53/36/135465336.db2.gz DHKOHTYADYHRPQ-CMPLNLGQSA-N 0 0 246.314 2.001 10 30 BEEERN C=CCCCN(C)C(=O)CCc1ccccn1 ZINC000135111006 135553356 /nfs/dbraw/zinc/55/33/56/135553356.db2.gz RSBPQUYJFMUDFS-UHFFFAOYSA-N 0 0 232.327 2.439 10 30 BEEERN C=C[C@](C)(CC)C(=O)NCCc1ccc[nH]1 ZINC000135156248 135554201 /nfs/dbraw/zinc/55/42/01/135554201.db2.gz QNIQNJZBTWDOOK-CYBMUJFWSA-N 0 0 220.316 2.276 10 30 BEEERN Cc1nc(C)c(CN[C@H]2CCC[C@H]2C#N)o1 ZINC000381896071 397815908 /nfs/dbraw/zinc/81/59/08/397815908.db2.gz STWVDAJMHSTMGF-QWRGUYRKSA-N 0 0 219.288 2.073 10 30 BEEERN N#Cc1nnc(-c2cccc(F)c2)s1 ZINC000259688410 397987310 /nfs/dbraw/zinc/98/73/10/397987310.db2.gz SWBLYOWTJMCTFW-UHFFFAOYSA-N 0 0 205.217 2.216 10 30 BEEERN N#Cc1ccc(C(F)(F)F)cc1CO ZINC000260354769 398085076 /nfs/dbraw/zinc/08/50/76/398085076.db2.gz WQVNXQUUSARQFJ-UHFFFAOYSA-N 0 0 201.147 2.069 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1CCCCC1 ZINC000061889276 398107722 /nfs/dbraw/zinc/10/77/22/398107722.db2.gz CSJHFLWPPVBCRT-NEPJUHHUSA-N 0 0 220.316 2.375 10 30 BEEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000135131342 487563391 /nfs/dbraw/zinc/56/33/91/487563391.db2.gz FKSWJDMHILCCIF-MDZLAQPJSA-N 0 0 225.332 2.008 10 30 BEEERN CC(C)OC(=O)c1cccc(OCC#N)c1 ZINC000045923601 167174937 /nfs/dbraw/zinc/17/49/37/167174937.db2.gz YLZOCYAYQLJVNY-UHFFFAOYSA-N 0 0 219.240 2.154 10 30 BEEERN C=C[C@H](C(=O)[O-])N(C)Cc1ccc(Cl)s1 ZINC000301047614 487572079 /nfs/dbraw/zinc/57/20/79/487572079.db2.gz PQLHOKDPAFUDBE-MRVPVSSYSA-N 0 0 245.731 2.473 10 30 BEEERN C#CC(C)(C)Oc1ccc(C(=O)OC)cc1 ZINC000036467480 166113309 /nfs/dbraw/zinc/11/33/09/166113309.db2.gz BBRYCTNWHJLNDU-UHFFFAOYSA-N 0 0 218.252 2.264 10 30 BEEERN N#Cc1cccc(C#Cc2cncc(F)c2)c1 ZINC000116294508 409667252 /nfs/dbraw/zinc/66/72/52/409667252.db2.gz XMTJQXPPERCYNP-UHFFFAOYSA-N 0 0 222.222 2.492 10 30 BEEERN N#Cc1cccc(C#Cc2cccnc2)c1 ZINC000116293373 409668627 /nfs/dbraw/zinc/66/86/27/409668627.db2.gz WJHGTFZEIPDEJB-UHFFFAOYSA-N 0 0 204.232 2.353 10 30 BEEERN C#CCN[C@@H](C#N)c1cccc(OC(C)C)c1 ZINC000051963182 166191297 /nfs/dbraw/zinc/19/12/97/166191297.db2.gz PHVSSXYWZNQPQP-AWEZNQCLSA-N 0 0 228.295 2.261 10 30 BEEERN C#CCNc1cc(C(F)(F)F)ccn1 ZINC000039325647 166193905 /nfs/dbraw/zinc/19/39/05/166193905.db2.gz WWBMUFRFOKDOPX-UHFFFAOYSA-N 0 0 200.163 2.146 10 30 BEEERN C#Cc1cccc(N[C@@H](C)C(=O)N2CCCC2)c1 ZINC000055351698 166223727 /nfs/dbraw/zinc/22/37/27/166223727.db2.gz FUPJHVMCFIIAJX-LBPRGKRZSA-N 0 0 242.322 2.091 10 30 BEEERN C#Cc1ncc(Cl)c(C(F)(F)F)n1 ZINC000095929708 166225306 /nfs/dbraw/zinc/22/53/06/166225306.db2.gz FHAGJYYARFMPDR-UHFFFAOYSA-N 0 0 206.554 2.130 10 30 BEEERN C(#Cn1nnc2ccccc21)c1ccccc1 ZINC000005946325 166226130 /nfs/dbraw/zinc/22/61/30/166226130.db2.gz HYRUCQORKVFELP-UHFFFAOYSA-N 0 0 219.247 2.289 10 30 BEEERN C(#Cc1ccnc2[nH]cnc21)c1ccccc1 ZINC000038997553 166226286 /nfs/dbraw/zinc/22/62/86/166226286.db2.gz OGJSIIUQIIJNJQ-UHFFFAOYSA-N 0 0 219.247 2.358 10 30 BEEERN C(=N/CC/N=C/c1ccccn1)\c1ccccn1 ZINC000006118986 166229746 /nfs/dbraw/zinc/22/97/46/166229746.db2.gz LFLIOYNYGXICME-JOBJLJCHSA-N 0 0 238.294 2.015 10 30 BEEERN C=CCN(C(=O)c1ccc(N)cc1)C(C)C ZINC000037817724 166313328 /nfs/dbraw/zinc/31/33/28/166313328.db2.gz XGOVADXASIOGKH-UHFFFAOYSA-N 0 0 218.300 2.305 10 30 BEEERN C=CCNC(=O)/C(C)=C/c1ccccc1 ZINC000027622556 166360438 /nfs/dbraw/zinc/36/04/38/166360438.db2.gz VRBLVQNFGWGBPY-ZHACJKMWSA-N 0 0 201.269 2.392 10 30 BEEERN C=CCNC(=O)[C@H](C)Nc1cc(F)ccc1C ZINC000020314700 166388644 /nfs/dbraw/zinc/38/86/44/166388644.db2.gz DQZSBCSIMZGVIN-JTQLQIEISA-N 0 0 236.290 2.237 10 30 BEEERN C=CCNC(=O)[C@H](C)Nc1cccc(Cl)c1 ZINC000020313249 166388871 /nfs/dbraw/zinc/38/88/71/166388871.db2.gz XANFBWRLKIQEDO-VIFPVBQESA-N 0 0 238.718 2.443 10 30 BEEERN C=CCNC(=O)c1cc(-c2cccs2)nn1C ZINC000042384123 166391591 /nfs/dbraw/zinc/39/15/91/166391591.db2.gz HGOWCEBHSSYUJJ-UHFFFAOYSA-N 0 0 247.323 2.064 10 30 BEEERN C=CCN[C@@H](C#N)c1ccc(OCC)cc1 ZINC000020175077 166403702 /nfs/dbraw/zinc/40/37/02/166403702.db2.gz MYTDXRINAJHBJM-ZDUSSCGKSA-N 0 0 216.284 2.426 10 30 BEEERN C=CCN[C@@H](C#N)c1ccc(F)cc1F ZINC000051960035 166404388 /nfs/dbraw/zinc/40/43/88/166404388.db2.gz HOXWTRPZUXFJNZ-NSHDSACASA-N 0 0 208.211 2.305 10 30 BEEERN C=CCNc1ncc(Br)cc1N ZINC000036226294 166409315 /nfs/dbraw/zinc/40/93/15/166409315.db2.gz YRLLZVKFNIUPPU-UHFFFAOYSA-N 0 0 228.093 2.024 10 30 BEEERN CC(C)CN(CCC#N)C(=O)c1ccc(N)cc1 ZINC000037822599 166952862 /nfs/dbraw/zinc/95/28/62/166952862.db2.gz MMIVVEYSNXBDBQ-UHFFFAOYSA-N 0 0 245.326 2.281 10 30 BEEERN CC(C)CN[C@H](C#N)c1cccc(C#N)c1 ZINC000037939175 167012938 /nfs/dbraw/zinc/01/29/38/167012938.db2.gz CSYXTPNMUMSDRQ-CYBMUJFWSA-N 0 0 213.284 2.369 10 30 BEEERN CC(C)CN[C@H](C#N)c1ccc2c(c1)CCO2 ZINC000037939299 167013732 /nfs/dbraw/zinc/01/37/32/167013732.db2.gz MGMXULJNAKIXPZ-CYBMUJFWSA-N 0 0 230.311 2.432 10 30 BEEERN CC(C)Oc1ccc(OC2CC2)c(C#N)n1 ZINC000095736441 167298023 /nfs/dbraw/zinc/29/80/23/167298023.db2.gz OZPCQLFVHKMINZ-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)Oc1ccc([C@@H](C#N)NCCCO)cc1 ZINC000020176510 167299226 /nfs/dbraw/zinc/29/92/26/167299226.db2.gz BIIFVOONNQLRPZ-CQSZACIVSA-N 0 0 248.326 2.010 10 30 BEEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](CCC)C1 ZINC000652429032 411241719 /nfs/dbraw/zinc/24/17/19/411241719.db2.gz SMKDCFHEAISKDC-QWRGUYRKSA-N 0 0 211.305 2.138 10 30 BEEERN CCOC(=O)c1cc(C#N)cc(C)c1C ZINC000260279734 411298921 /nfs/dbraw/zinc/29/89/21/411298921.db2.gz VXNFYTZFYUWYHL-UHFFFAOYSA-N 0 0 203.241 2.352 10 30 BEEERN C=C[C@H](C(=O)[O-])[NH+]1CCC(C2CCC2)CC1 ZINC000656758630 411353514 /nfs/dbraw/zinc/35/35/14/411353514.db2.gz JMQSEWMCWURTSS-GFCCVEGCSA-N 0 0 223.316 2.138 10 30 BEEERN CC1=C[C@@H](c2ccccc2)[C@H](C#N)C(=O)O1 ZINC000075622522 168126385 /nfs/dbraw/zinc/12/63/85/168126385.db2.gz KPBCDXHDVWZYTE-RYUDHWBXSA-N 0 0 213.236 2.371 10 30 BEEERN CCC(=O)Nc1ccc(C#CCCO)c(C)c1 ZINC000037654025 168244584 /nfs/dbraw/zinc/24/45/84/168244584.db2.gz GDBJVWYJQWYSSW-UHFFFAOYSA-N 0 0 231.295 2.077 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@H]1CCC[C@H]1OC ZINC000050374309 168259972 /nfs/dbraw/zinc/25/99/72/168259972.db2.gz XPJAGEDASMJDIN-WDEREUQCSA-N 0 0 238.331 2.000 10 30 BEEERN CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061888471 168267245 /nfs/dbraw/zinc/26/72/45/168267245.db2.gz YDZDHMNWRFQQDH-NXEZZACHSA-N 0 0 208.305 2.231 10 30 BEEERN CCN(C[C@@H](C)C#N)C(=O)c1cc(F)ccc1N ZINC000037820985 169878719 /nfs/dbraw/zinc/87/87/19/169878719.db2.gz VRPCCKXLWCDTON-VIFPVBQESA-N 0 0 249.289 2.030 10 30 BEEERN CCN(c1nc(C)cc(C)c1C#N)[C@H](C)COC ZINC000042780552 169944746 /nfs/dbraw/zinc/94/47/46/169944746.db2.gz SXUFXDHKDXCCMK-GFCCVEGCSA-N 0 0 247.342 2.431 10 30 BEEERN CCNC(=S)N/N=C1\CCCC[C@@H]1C ZINC000005119776 170105166 /nfs/dbraw/zinc/10/51/66/170105166.db2.gz QTGCODYOHFVFMZ-IJTFOSHNSA-N 0 0 213.350 2.037 10 30 BEEERN CCN[C@@H](C#N)c1cccc(OCC)c1 ZINC000020174893 170138039 /nfs/dbraw/zinc/13/80/39/170138039.db2.gz LOBOJTLFQKZTTO-LBPRGKRZSA-N 0 0 204.273 2.259 10 30 BEEERN CCN[C@]1(C#N)CCc2ccccc2C1 ZINC000037460383 170170087 /nfs/dbraw/zinc/17/00/87/170170087.db2.gz LUCFCTWCKBGBPE-CYBMUJFWSA-N 0 0 200.285 2.047 10 30 BEEERN CCOC(O)=C1CC(=O)Nc2ccccc2C1=O ZINC000100328383 170179137 /nfs/dbraw/zinc/17/91/37/170179137.db2.gz MGUIAQXPRHEMQG-LCYFTJDESA-N 0 0 247.250 2.018 10 30 BEEERN CCOC(=O)CN(c1ccc(C#N)cc1)C(C)C ZINC000042707614 170217858 /nfs/dbraw/zinc/21/78/58/170217858.db2.gz CPWHHDMSARYSDW-UHFFFAOYSA-N 0 0 246.310 2.336 10 30 BEEERN CCOC(=O)[C@H](C#N)c1ccc(CC)cc1 ZINC000039101987 170264008 /nfs/dbraw/zinc/26/40/08/170264008.db2.gz RLMQWANMVQNMKN-GFCCVEGCSA-N 0 0 217.268 2.419 10 30 BEEERN CCOC(=O)[C@](C)(C#N)Cc1ccc(OC)cc1 ZINC000057536217 170283076 /nfs/dbraw/zinc/28/30/76/170283076.db2.gz XZBGQSFNYQMZCM-AWEZNQCLSA-N 0 0 247.294 2.331 10 30 BEEERN CCOC(=O)[C@]12CCCCC1=CC(=O)CC2 ZINC000005701050 170286376 /nfs/dbraw/zinc/28/63/76/170286376.db2.gz SRDFWBNFGXTHOY-ZDUSSCGKSA-N 0 0 222.284 2.399 10 30 BEEERN CCOC(=O)c1oc2nc(C#N)ccc2c1C ZINC000261507909 170310469 /nfs/dbraw/zinc/31/04/69/170310469.db2.gz NPPRKJAIZHGNPO-UHFFFAOYSA-N 0 0 230.223 2.185 10 30 BEEERN CCOc1ccc(Cc2nc(CC#N)no2)cc1 ZINC000073641498 170548527 /nfs/dbraw/zinc/54/85/27/170548527.db2.gz GYTIYKDISOCJLD-UHFFFAOYSA-N 0 0 243.266 2.125 10 30 BEEERN CCOc1ccc2ncc(C#N)c(N)c2c1 ZINC000050842172 170570783 /nfs/dbraw/zinc/57/07/83/170570783.db2.gz 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10 30 BEEERN CC[C@@H](C)Sc1cc(/C(N)=N/O)ccn1 ZINC000019870272 170767081 /nfs/dbraw/zinc/76/70/81/170767081.db2.gz POUQICGKQZFNMZ-SSDOTTSWSA-N 0 0 225.317 2.067 10 30 BEEERN CC[C@@H](Nc1cnc(C#N)cn1)c1ccncc1 ZINC000125417144 170916657 /nfs/dbraw/zinc/91/66/57/170916657.db2.gz BQTXDFBVIZRLLY-GFCCVEGCSA-N 0 0 239.282 2.306 10 30 BEEERN CC[C@@](C)(C#N)NC(=O)c1cc(C)ccc1OC ZINC000052943607 171163653 /nfs/dbraw/zinc/16/36/53/171163653.db2.gz MVEAFHBIQLCLNS-AWEZNQCLSA-N 0 0 246.310 2.426 10 30 BEEERN CC[C@H](C#N)Nc1ccc2c(c1)OCCO2 ZINC000043539241 171219430 /nfs/dbraw/zinc/21/94/30/171219430.db2.gz IGIUKLOCNVXLCZ-SECBINFHSA-N 0 0 218.256 2.172 10 30 BEEERN CC[C@H](C#N)Oc1ccc([C@@H](C)O)cc1OC ZINC000043543065 171219531 /nfs/dbraw/zinc/21/95/31/171219531.db2.gz GMLUBRDXONDWKM-MWLCHTKSSA-N 0 0 235.283 2.429 10 30 BEEERN CC[C@H](C)CN(C)C(=O)[C@@H](C#N)C(C)C ZINC000044822416 171270942 /nfs/dbraw/zinc/27/09/42/171270942.db2.gz BZDZFWVFBALKIK-QWRGUYRKSA-N 0 0 210.321 2.287 10 30 BEEERN CC[C@H](C)OCCOc1cccc(C#CCO)c1 ZINC000049622007 171355640 /nfs/dbraw/zinc/35/56/40/171355640.db2.gz VBIQIWLDABVIJC-ZDUSSCGKSA-N 0 0 248.322 2.224 10 30 BEEERN CC[C@H](C)[C@@](C)(C#N)NCC(F)(F)F ZINC000037970803 171381834 /nfs/dbraw/zinc/38/18/34/171381834.db2.gz JNEUJSDNTKDIFP-JGVFFNPUSA-N 0 0 208.227 2.467 10 30 BEEERN CC[C@H]1C[C@@H]1Nc1ccc(C)c(C#N)n1 ZINC000302650007 171677149 /nfs/dbraw/zinc/67/71/49/171677149.db2.gz MXWYJFRGUUFCKC-UWVGGRQHSA-N 0 0 201.273 2.472 10 30 BEEERN CCc1ccccc1[C@@H](C#N)N1CCOCC1 ZINC000052204911 171892715 /nfs/dbraw/zinc/89/27/15/171892715.db2.gz LLFCJPFAQHOKDQ-CQSZACIVSA-N 0 0 230.311 2.146 10 30 BEEERN CN(C(=O)[C@@]1(C)CCCO1)c1ccccc1C#N ZINC000127471228 172331376 /nfs/dbraw/zinc/33/13/76/172331376.db2.gz WAFUNMXTAYOHLU-CQSZACIVSA-N 0 0 244.294 2.090 10 30 BEEERN CN(CCC#N)c1ccc2scnc2c1N ZINC000035344229 172666796 /nfs/dbraw/zinc/66/67/96/172666796.db2.gz AAWMNEHWGXZONH-UHFFFAOYSA-N 0 0 232.312 2.228 10 30 BEEERN CN(Cc1ccccc1)c1ncc(N)cc1C#N ZINC000037758814 172874235 /nfs/dbraw/zinc/87/42/35/172874235.db2.gz KBURCFYCTIPNOI-UHFFFAOYSA-N 0 0 238.294 2.172 10 30 BEEERN CN(c1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1O ZINC000061954472 172945346 /nfs/dbraw/zinc/94/53/46/172945346.db2.gz WKXYMGAPCNOTBT-KBPBESRZSA-N 0 0 230.311 2.298 10 30 BEEERN CN1CCc2cc([C@H](C#N)N3CCCC3)ccc21 ZINC000050287975 173171311 /nfs/dbraw/zinc/17/13/11/173171311.db2.gz LJIOKVYSAIIVKB-HNNXBMFYSA-N 0 0 241.338 2.339 10 30 BEEERN CNC(=O)O/N=C/c1ccc(Cl)cc1 ZINC000005996146 173293456 /nfs/dbraw/zinc/29/34/56/173293456.db2.gz UYPLXCAGLJEWAS-WUXMJOGZSA-N 0 0 212.636 2.030 10 30 BEEERN CN[C@@H](C#N)c1cccc(OC(C)C)c1 ZINC000020176750 173410531 /nfs/dbraw/zinc/41/05/31/173410531.db2.gz LUEJIYBMEWEDAL-LBPRGKRZSA-N 0 0 204.273 2.258 10 30 BEEERN CN[C@@H](C#N)c1ccccc1OC(F)F ZINC000020378012 173410556 /nfs/dbraw/zinc/41/05/56/173410556.db2.gz OLWOWCOJFRNCJI-QMMMGPOBSA-N 0 0 212.199 2.072 10 30 BEEERN COC(=O)/C=C/C(=O)c1ccc(SC)cc1 ZINC000082721846 173496518 /nfs/dbraw/zinc/49/65/18/173496518.db2.gz RXRRISPQINOSSF-BQYQJAHWSA-N 0 0 236.292 2.320 10 30 BEEERN COC(=O)[C@@H](C#N)c1ccccc1Cl ZINC000049814645 173665626 /nfs/dbraw/zinc/66/56/26/173665626.db2.gz BSKRTOCOQBTIBV-QMMMGPOBSA-N 0 0 209.632 2.120 10 30 BEEERN COC(=O)[C@H](C)Nc1ccc(C#N)cc1Cl ZINC000062790869 173788295 /nfs/dbraw/zinc/78/82/95/173788295.db2.gz BOOQYQBOKDXADF-ZETCQYMHSA-N 0 0 238.674 2.185 10 30 BEEERN COCCN(CCC#N)c1ccc(F)cc1C#N ZINC000111238314 174289100 /nfs/dbraw/zinc/28/91/00/174289100.db2.gz RVOAFHDAPUGEKT-UHFFFAOYSA-N 0 0 247.273 2.064 10 30 BEEERN COCCN(CCC#N)c1cc(C)ccc1C#N ZINC000071231132 174289216 /nfs/dbraw/zinc/28/92/16/174289216.db2.gz RSVSIOCNUHEIGM-UHFFFAOYSA-N 0 0 243.310 2.233 10 30 BEEERN COCCN(CCC#N)c1ccc([C@@H](C)O)cc1 ZINC000071226695 174289332 /nfs/dbraw/zinc/28/93/32/174289332.db2.gz RUUVRVMEDXCABB-GFCCVEGCSA-N 0 0 248.326 2.106 10 30 BEEERN COCCSc1nc2c(cc1C#N)CCC2 ZINC000043408020 174378104 /nfs/dbraw/zinc/37/81/04/174378104.db2.gz IJWMKYWTAYEIBC-UHFFFAOYSA-N 0 0 234.324 2.180 10 30 BEEERN COCC[C@@H](C)NC(=O)c1ccc(C#N)cc1C ZINC000118970767 174382595 /nfs/dbraw/zinc/38/25/95/174382595.db2.gz PRSVXBLVDQBVFS-LLVKDONJSA-N 0 0 246.310 2.022 10 30 BEEERN CO[C@@H]1CCC[C@@H]1n1c(C)c(C)c(C#N)c1N ZINC000050376669 174750953 /nfs/dbraw/zinc/75/09/53/174750953.db2.gz BYOBJSHVWKZAIF-NWDGAFQWSA-N 0 0 233.315 2.299 10 30 BEEERN COc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000072237082 174918558 /nfs/dbraw/zinc/91/85/58/174918558.db2.gz HTERZRYCTLLSDO-UHFFFAOYSA-N 0 0 220.178 2.393 10 30 BEEERN COc1cc(C#N)cc(OC[C@H](O)C(C)(C)C)c1 ZINC000310720335 174942165 /nfs/dbraw/zinc/94/21/65/174942165.db2.gz QQZIDVQVZZEBFO-ZDUSSCGKSA-N 0 0 249.310 2.353 10 30 BEEERN COc1cc(F)c2ncc(C#N)cc2c1 ZINC000097758543 174992430 /nfs/dbraw/zinc/99/24/30/174992430.db2.gz WLBLHALXDBATFV-UHFFFAOYSA-N 0 0 202.188 2.254 10 30 BEEERN COc1cc(OC)cc([C@@H](C#N)NCC2CC2)c1 ZINC000037946942 175011594 /nfs/dbraw/zinc/01/15/94/175011594.db2.gz QLFJXVASVOPAQQ-CQSZACIVSA-N 0 0 246.310 2.268 10 30 BEEERN COc1cc([C@@H](C#N)NCC(C)C)ccc1O ZINC000037939221 175013193 /nfs/dbraw/zinc/01/31/93/175013193.db2.gz WGQCEJRHSIZVQP-LLVKDONJSA-N 0 0 234.299 2.211 10 30 BEEERN COc1cc(=O)oc([C@H]2O[C@@H]2c2ccccc2)c1 ZINC000013434410 175017497 /nfs/dbraw/zinc/01/74/97/175017497.db2.gz MLGUXXSGWWCJQW-ZIAGYGMSSA-N 0 0 244.246 2.461 10 30 BEEERN COc1ccc(-c2cc(C#N)c(N)o2)cc1 ZINC000003057281 175030880 /nfs/dbraw/zinc/03/08/80/175030880.db2.gz VIZBGBREQNKHGS-UHFFFAOYSA-N 0 0 214.224 2.409 10 30 BEEERN COc1ccc(/C=C\C(=O)[C@@]2(C)CO2)cc1 ZINC000005962302 175048366 /nfs/dbraw/zinc/04/83/66/175048366.db2.gz JZHPLWCDDUICIM-DMTLFAOVSA-N 0 0 218.252 2.066 10 30 BEEERN COc1ccc(C(=O)N(CC#N)C(C)C)cc1 ZINC000057520308 175055142 /nfs/dbraw/zinc/05/51/42/175055142.db2.gz MLNMRGHPLLBVDT-UHFFFAOYSA-N 0 0 232.283 2.069 10 30 BEEERN COc1ccc(COC(C)C)cc1C#CCCO ZINC000049620986 175113095 /nfs/dbraw/zinc/11/30/95/175113095.db2.gz XXIDZEXKIHMVQO-UHFFFAOYSA-N 0 0 248.322 2.354 10 30 BEEERN COc1ccc(OC)c(NC[C@@H](C)C#N)c1 ZINC000032013632 175167067 /nfs/dbraw/zinc/16/70/67/175167067.db2.gz QYSYNFNZDNYQPL-VIFPVBQESA-N 0 0 220.272 2.275 10 30 BEEERN COc1ccc2c(c1)nc(CS)n2C ZINC000074298364 175219473 /nfs/dbraw/zinc/21/94/73/175219473.db2.gz QVALKSOJWROGCM-UHFFFAOYSA-N 0 0 208.286 2.012 10 30 BEEERN COc1ccc2onc(CCS)c2c1 ZINC000031888850 175232610 /nfs/dbraw/zinc/23/26/10/175232610.db2.gz BBNGZQAMEYGLDS-UHFFFAOYSA-N 0 0 209.270 2.309 10 30 BEEERN COc1cccc(NC2=NCCCS2)c1 ZINC000004923208 175241602 /nfs/dbraw/zinc/24/16/02/175241602.db2.gz TVPCYEHKVSYVIZ-UHFFFAOYSA-N 0 0 222.313 2.409 10 30 BEEERN COc1cccc([C@@H](C#N)NCC(F)(F)F)c1 ZINC000037971048 175285912 /nfs/dbraw/zinc/28/59/12/175285912.db2.gz SNTCIXLKHZIFCQ-SNVBAGLBSA-N 0 0 244.216 2.412 10 30 BEEERN COc1cccc2[nH]cc(C(=O)CC#N)c21 ZINC000095911143 175297455 /nfs/dbraw/zinc/29/74/55/175297455.db2.gz WXEZDOBATCTYND-UHFFFAOYSA-N 0 0 214.224 2.273 10 30 BEEERN COc1ccccc1N[C@H](C#N)c1cnn(C)c1 ZINC000037938772 175339071 /nfs/dbraw/zinc/33/90/71/175339071.db2.gz IPIKMLIBRKKHGC-GFCCVEGCSA-N 0 0 242.282 2.105 10 30 BEEERN COc1ccccc1N[C@H](C#N)[C@@H]1CCOC1 ZINC000037938677 175339135 /nfs/dbraw/zinc/33/91/35/175339135.db2.gz BNCPQJJKFWWMSJ-ZYHUDNBSSA-N 0 0 232.283 2.036 10 30 BEEERN CSCCCC(=O)Nc1ccc(C#N)cn1 ZINC000120129520 175472532 /nfs/dbraw/zinc/47/25/32/175472532.db2.gz OGIJFABUNCMMSG-UHFFFAOYSA-N 0 0 235.312 2.035 10 30 BEEERN CS[C@H](C)CC(=O)NC1(C#N)CCCC1 ZINC000118953800 175558138 /nfs/dbraw/zinc/55/81/38/175558138.db2.gz OSEWQATWWYBICG-SECBINFHSA-N 0 0 226.345 2.081 10 30 BEEERN C[C@@H](C#N)Cn1cc(C(F)(F)F)ccc1=O ZINC000057833888 175597283 /nfs/dbraw/zinc/59/72/83/175597283.db2.gz ZRFVMMHAMIMZEC-ZETCQYMHSA-N 0 0 230.189 2.027 10 30 BEEERN C[C@@H](C#N)Oc1cccc2c1NCCC2 ZINC000043518980 175598352 /nfs/dbraw/zinc/59/83/52/175598352.db2.gz LXJZDUZUGJVKPU-VIFPVBQESA-N 0 0 202.257 2.336 10 30 BEEERN C[C@@H](Nc1ncc(N)cc1C#N)c1cccnc1 ZINC000037759092 175937452 /nfs/dbraw/zinc/93/74/52/175937452.db2.gz ZAXHANQNXJGPLS-SECBINFHSA-N 0 0 239.282 2.104 10 30 BEEERN C[C@@H](c1ccccc1)[C@H](C#N)N1CCOCC1 ZINC000041086173 176022721 /nfs/dbraw/zinc/02/27/21/176022721.db2.gz ZEOABPCZEHVKPR-JSGCOSHPSA-N 0 0 230.311 2.014 10 30 BEEERN C[C@@H]1CCCC[C@@H]1N(C)c1nccc(C#N)n1 ZINC000231899287 176079090 /nfs/dbraw/zinc/07/90/90/176079090.db2.gz MIFZJZSCYZCFFG-PWSUYJOCSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@@H]1CCC[C@@H](Oc2ncc(N)cc2C#N)C1 ZINC000037759359 176125033 /nfs/dbraw/zinc/12/50/33/176125033.db2.gz QZIHORRPHOWKIQ-BXKDBHETSA-N 0 0 231.299 2.493 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1Cc1ccc(F)cc1C#N ZINC000120856482 176346463 /nfs/dbraw/zinc/34/64/63/176346463.db2.gz YMIPZGZBSXPRFV-GHMZBOCLSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000121424608 176347451 /nfs/dbraw/zinc/34/74/51/176347451.db2.gz KDWMREKUSLIXTA-GHMZBOCLSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@H](CC1CC1)NC(=O)c1ccc(C#N)cc1 ZINC000070104291 176613128 /nfs/dbraw/zinc/61/31/28/176613128.db2.gz HDEAMJGTHOWYAB-SNVBAGLBSA-N 0 0 228.295 2.477 10 30 BEEERN C[C@H](NCc1cccc(C#N)c1)c1cc[nH]n1 ZINC000037908359 176876289 /nfs/dbraw/zinc/87/62/89/176876289.db2.gz QKLJRZGHILRKHQ-JTQLQIEISA-N 0 0 226.283 2.132 10 30 BEEERN C[C@H](S)C1CN(C(=O)OC(C)(C)C)C1 ZINC000095089583 177024932 /nfs/dbraw/zinc/02/49/32/177024932.db2.gz KOHGBSJNSCZLSR-ZETCQYMHSA-N 0 0 217.334 2.172 10 30 BEEERN C[C@H](c1cccc(N)c1)N(C)CCC#N ZINC000040908089 177036290 /nfs/dbraw/zinc/03/62/90/177036290.db2.gz MEEWSNSOPLOWLX-SNVBAGLBSA-N 0 0 203.289 2.175 10 30 BEEERN C[C@H]1CCCC[C@@H]1Oc1ncccc1/C(N)=N/O ZINC000019802836 177084199 /nfs/dbraw/zinc/08/41/99/177084199.db2.gz NMFRQOCCZIMIPB-ONGXEEELSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@H]1CCCN1CC(=O)c1ccc(C#N)cc1 ZINC000037911501 177109495 /nfs/dbraw/zinc/10/94/95/177109495.db2.gz GMEKKLVAVHSQKH-NSHDSACASA-N 0 0 228.295 2.225 10 30 BEEERN C[C@H]1CCC[C@@H](Oc2ncc(N)cc2C#N)C1 ZINC000037759360 177123400 /nfs/dbraw/zinc/12/34/00/177123400.db2.gz QZIHORRPHOWKIQ-JOYOIKCWSA-N 0 0 231.299 2.493 10 30 BEEERN C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235629475 177194519 /nfs/dbraw/zinc/19/45/19/177194519.db2.gz NCOLIDNBURROEH-DTWKUNHWSA-N 0 0 246.270 2.462 10 30 BEEERN C[C@H]1CN(C(=O)c2cccc(C#N)c2)CCS1 ZINC000134338077 177227558 /nfs/dbraw/zinc/22/75/58/177227558.db2.gz KJJBUDPCQBAUIO-JTQLQIEISA-N 0 0 246.335 2.136 10 30 BEEERN C[C@@H]1COC[C@H](C)N1Cc1cc(F)ccc1C#N ZINC000160572844 177298322 /nfs/dbraw/zinc/29/83/22/177298322.db2.gz NEDOQEJAHVOYKY-PHIMTYICSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@@H]1COC[C@H](C)N1Cc1ccc(F)cc1C#N ZINC000120856206 177298851 /nfs/dbraw/zinc/29/88/51/177298851.db2.gz YMIPZGZBSXPRFV-PHIMTYICSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@H]1COC[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000151493805 177298919 /nfs/dbraw/zinc/29/89/19/177298919.db2.gz FZDNRPHRNJAQCM-STQMWFEESA-N 0 0 247.313 2.286 10 30 BEEERN C[C@H]1C[C@@H]1Nc1c(C#N)nnc2ccccc21 ZINC000076324461 177350677 /nfs/dbraw/zinc/35/06/77/177350677.db2.gz BXUQONZPLZAUSX-KWQFWETISA-N 0 0 224.267 2.322 10 30 BEEERN C[C@H]1C[C@@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130666697 177350809 /nfs/dbraw/zinc/35/08/09/177350809.db2.gz XWPWLUWRYFDRRZ-CBAPKCEASA-N 0 0 217.228 2.287 10 30 BEEERN C[C@H]1C[C@H]1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000040360714 177377220 /nfs/dbraw/zinc/37/72/20/177377220.db2.gz HLOMTOGKILBXIY-WCQGTBRESA-N 0 0 220.316 2.231 10 30 BEEERN C[C@H]1C[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000103085108 177383439 /nfs/dbraw/zinc/38/34/39/177383439.db2.gz OJWJRBYGVZVXOZ-JOYOIKCWSA-N 0 0 246.335 2.175 10 30 BEEERN CCCc1nn(C2CCCC2)c(N)c1C#N ZINC000087503580 259044852 /nfs/dbraw/zinc/04/48/52/259044852.db2.gz VGJLTLIYFLMFQM-UHFFFAOYSA-N 0 0 218.304 2.405 10 30 BEEERN CC(C)(C)OC(=O)NC(C)(C)[C@@H]1C[C@H]1C=O ZINC000521400082 262779214 /nfs/dbraw/zinc/77/92/14/262779214.db2.gz ABOVZVGBFCJVCS-DTWKUNHWSA-N 0 0 227.304 2.125 10 30 BEEERN Cc1nc(NC(C)(C)COC(C)C)ccc1C#N ZINC000396496695 262804831 /nfs/dbraw/zinc/80/48/31/262804831.db2.gz TXSIDJYBLRWWTA-UHFFFAOYSA-N 0 0 247.342 2.299 10 30 BEEERN O=CCc1c(Br)cccc1[N+](=O)[O-] ZINC000196739975 487778763 /nfs/dbraw/zinc/77/87/63/487778763.db2.gz OOKCQYFQNZMYAK-UHFFFAOYSA-N 0 0 244.044 2.099 10 30 BEEERN CC(C)(C)OC(=O)N1CC[C@@H](C=O)C(F)(F)C1 ZINC000238099817 323195328 /nfs/dbraw/zinc/19/53/28/323195328.db2.gz HRVYYOQPQLCSTP-QMMMGPOBSA-N 0 0 249.257 2.078 10 30 BEEERN C[C@@]1(C#N)COc2c(F)ccc(F)c2O1 ZINC000536955308 323965250 /nfs/dbraw/zinc/96/52/50/323965250.db2.gz OTJXNSPMZZWFTF-SNVBAGLBSA-N 0 0 211.167 2.018 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)NCc1ccc[nH]1 ZINC000126116860 324680693 /nfs/dbraw/zinc/68/06/93/324680693.db2.gz BNXBMQWITUEUHD-UHFFFAOYSA-N 0 0 239.278 2.125 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2C#N)O1 ZINC000130692399 325080914 /nfs/dbraw/zinc/08/09/14/325080914.db2.gz HPORREOYHFBZGS-CABZTGNLSA-N 0 0 230.267 2.064 10 30 BEEERN C=C[C@](C)(CC)C(=O)NCc1cccc(OC)n1 ZINC000134997019 325387095 /nfs/dbraw/zinc/38/70/95/325387095.db2.gz JHVKYPXIXXWONW-CQSZACIVSA-N 0 0 248.326 2.309 10 30 BEEERN C=C[C@@](C)(CC)C(=O)Nc1cnc(N(C)C)nc1 ZINC000135143597 325397126 /nfs/dbraw/zinc/39/71/26/325397126.db2.gz LTZXEFCOZWRDMY-ZDUSSCGKSA-N 0 0 248.330 2.083 10 30 BEEERN Cc1c([C@@H](C)NCc2ccc(C#N)o2)cnn1C ZINC000135147465 325397168 /nfs/dbraw/zinc/39/71/68/325397168.db2.gz CJYDAESUDLGKCZ-SECBINFHSA-N 0 0 244.298 2.044 10 30 BEEERN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C)C#N)CC1 ZINC000245516648 325509812 /nfs/dbraw/zinc/50/98/12/325509812.db2.gz QYYJENFCFGCDBR-IJLUTSLNSA-N 0 0 222.332 2.477 10 30 BEEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)c(C)o1 ZINC000061889170 488066245 /nfs/dbraw/zinc/06/62/45/488066245.db2.gz WYPRIQMBWUNPQW-JQWIXIFHSA-N 0 0 232.283 2.319 10 30 BEEERN C=CCN(Cc1cncnc1)CC(F)(F)F ZINC000119476394 487551227 /nfs/dbraw/zinc/55/12/27/487551227.db2.gz HYRQMEIZLNLVQE-UHFFFAOYSA-N 0 0 231.221 2.027 10 30 BEEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCC2(C1)CCCCC2 ZINC000380866075 487489216 /nfs/dbraw/zinc/48/92/16/487489216.db2.gz WAVVBZGGJVKTMY-NSHDSACASA-N 0 0 223.316 2.282 10 30 BEEERN COC(=O)c1ccc2c(C)c(C#N)oc2c1 ZINC000584639510 490181615 /nfs/dbraw/zinc/18/16/15/490181615.db2.gz USFQCQWVLQFPLX-UHFFFAOYSA-N 0 0 215.208 2.400 10 30 BEEERN C[C@@H]1COC[C@H](C)N1Cc1cccc(C#N)c1F ZINC000334177596 490243702 /nfs/dbraw/zinc/24/37/02/490243702.db2.gz ATLYHIHKJUHYEN-PHIMTYICSA-N 0 0 248.301 2.307 10 30 BEEERN CCC#C[C@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000309157504 491145754 /nfs/dbraw/zinc/14/57/54/491145754.db2.gz XSXWCKCJAZJTFL-ONGXEEELSA-N 0 0 206.289 2.436 10 30 BEEERN C=C[C@H](C)N1C(=S)N=NC1[C@H](C)OC ZINC000757126667 582502240 /nfs/dbraw/zinc/50/22/40/582502240.db2.gz AMQKARQVRMPLPP-BQBZGAKWSA-N 0 0 213.306 2.021 10 30 BEEERN C#CCONCc1ccc(Cl)c(C)c1 ZINC000757150301 582533975 /nfs/dbraw/zinc/53/39/75/582533975.db2.gz FGOBHMQYYPCRNL-UHFFFAOYSA-N 0 0 209.676 2.303 10 30 BEEERN CN[C@@H](C#N)[C@@H](C)SCc1occc1C ZINC000757166951 582547457 /nfs/dbraw/zinc/54/74/57/582547457.db2.gz TXUIZOKSNJIGQP-ZJUUUORDSA-N 0 0 224.329 2.321 10 30 BEEERN C=CC(=O)c1cc(Br)cnc1OC ZINC000145995006 518681451 /nfs/dbraw/zinc/68/14/51/518681451.db2.gz LWSROZAZJLUIPD-UHFFFAOYSA-N 0 0 242.072 2.221 10 30 BEEERN CC(C)(C)OC(=O)N1CC(CCC#N)C1 ZINC000107450039 518800106 /nfs/dbraw/zinc/80/01/06/518800106.db2.gz JSMUWFLUFNGPJU-UHFFFAOYSA-N 0 0 210.277 2.157 10 30 BEEERN C=C(Cl)CN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248818422 534441752 /nfs/dbraw/zinc/44/17/52/534441752.db2.gz IVMGXPZBCWBTMK-DCAQKATOSA-N 0 0 243.734 2.012 10 30 BEEERN C=C[C@H](C)NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000128426026 534640720 /nfs/dbraw/zinc/64/07/20/534640720.db2.gz KFGZOSRHIQBZDI-VWYCJHECSA-N 0 0 210.321 2.391 10 30 BEEERN C=CCCCN(C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000076946560 534702761 /nfs/dbraw/zinc/70/27/61/534702761.db2.gz KSWRSUVRJNXNCE-VXGBXAGGSA-N 0 0 240.347 2.162 10 30 BEEERN C=CCCCN(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000187831907 534704070 /nfs/dbraw/zinc/70/40/70/534704070.db2.gz NKKPVDKKWBNJQI-RYUDHWBXSA-N 0 0 225.332 2.226 10 30 BEEERN C=CCCCN(C)CC(=O)c1cccn1C ZINC000121063910 534707757 /nfs/dbraw/zinc/70/77/57/534707757.db2.gz QYUOSPAKAMQUAC-UHFFFAOYSA-N 0 0 220.316 2.106 10 30 BEEERN N#CCc1nc2cnc3ccccc3c2[nH]1 ZINC000040539499 526487753 /nfs/dbraw/zinc/48/77/53/526487753.db2.gz XRAHVJHYSACBEM-UHFFFAOYSA-N 0 0 208.224 2.177 10 30 BEEERN NC(/C=C(/Cl)c1ccc(F)cc1F)=NO ZINC000327981670 526846229 /nfs/dbraw/zinc/84/62/29/526846229.db2.gz IYGMKLLOWIPXFN-QPJJXVBHSA-N 0 0 232.617 2.291 10 30 BEEERN CC(C)[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408332144 534934433 /nfs/dbraw/zinc/93/44/33/534934433.db2.gz UYVLJFXOKGZYAW-IJLUTSLNSA-N 0 0 222.332 2.477 10 30 BEEERN CC1(C)CCCCN(C(=O)NCCC#N)C1 ZINC000335332131 535293326 /nfs/dbraw/zinc/29/33/26/535293326.db2.gz MZXGIEFFODFGIY-UHFFFAOYSA-N 0 0 223.320 2.122 10 30 BEEERN CC[C@@]1(C)CCCN(c2cnc(C#N)cn2)C1 ZINC000125878916 536039526 /nfs/dbraw/zinc/03/95/26/536039526.db2.gz PGCWGYCIJIHHOK-ZDUSSCGKSA-N 0 0 230.315 2.365 10 30 BEEERN C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1C=CC(=O)[C@]12C ZINC000004097989 560195199 /nfs/dbraw/zinc/19/51/99/560195199.db2.gz IFXGCKRDLITNAU-JHSUYXJUSA-N 0 0 246.306 2.276 10 30 biogenic,in-vitro BEEERN C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3CCC(=O)[C@@]3(C)C[C@H]12 ZINC000004098045 560195200 /nfs/dbraw/zinc/19/52/00/560195200.db2.gz DCKYPAZZUYXYTC-HBKJAXODSA-N 0 0 248.322 2.500 10 30 biogenic,in-vitro BEEERN C=CCc1cc(OC)c(OC)cc1OC ZINC000014822203 571724910 /nfs/dbraw/zinc/72/49/10/571724910.db2.gz AUNAUZZQBAIQFJ-UHFFFAOYSA-N 0 0 208.257 2.441 10 30 endogenous,in-man BEEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1cccc(C)c1 ZINC000234584142 582460287 /nfs/dbraw/zinc/46/02/87/582460287.db2.gz DKBQJAODWBEHBA-NWDGAFQWSA-N 0 0 240.686 2.349 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@@]1(C)c1cccc(F)c1 ZINC000234593325 582461079 /nfs/dbraw/zinc/46/10/79/582461079.db2.gz QHIOWUKNJSWGGC-QWRGUYRKSA-N 0 0 244.649 2.179 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@@]1(C)Cc1ccccc1 ZINC000234591342 582461147 /nfs/dbraw/zinc/46/11/47/582461147.db2.gz QDXVJDQWGFAALA-RYUDHWBXSA-N 0 0 240.686 2.126 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@]1(C)CCC(C)C ZINC000234596537 582461518 /nfs/dbraw/zinc/46/15/18/582461518.db2.gz WRHQKICCAPBUJE-ZJUUUORDSA-N 0 0 220.696 2.320 10 30 BEEERN C#C[C@@H](C)Nc1ccc2c(c1)CCN2C ZINC000757133958 582510465 /nfs/dbraw/zinc/51/04/65/582510465.db2.gz VRXBNCWORADAQQ-SNVBAGLBSA-N 0 0 200.285 2.113 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CS)C1 ZINC000757160287 582544263 /nfs/dbraw/zinc/54/42/63/582544263.db2.gz NGHTYYPDRIIBAA-OCAPTIKFSA-N 0 0 217.334 2.220 10 30 BEEERN COc1nsc(CS)c1Br ZINC000757164013 582545836 /nfs/dbraw/zinc/54/58/36/582545836.db2.gz XHUUOTOIESJTNX-UHFFFAOYSA-N 0 0 240.147 2.344 10 30 BEEERN C=CCOCn1ccc2cc(N)ccc21 ZINC000707341275 582964847 /nfs/dbraw/zinc/96/48/47/582964847.db2.gz YLCCUTOGPCIILK-UHFFFAOYSA-N 0 0 202.257 2.384 10 30 BEEERN COC(=O)C[C@]1([C@H]2CO2)CCC[C@H](C)C1 ZINC000675052466 583301434 /nfs/dbraw/zinc/30/14/34/583301434.db2.gz FITYYVDHMHQBLB-UMNHJUIQSA-N 0 0 212.289 2.145 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CC[C@H](C2CC2)C1 ZINC000332891743 583303394 /nfs/dbraw/zinc/30/33/94/583303394.db2.gz KKYUMXPWPIVFTA-RWMBFGLXSA-N 0 0 247.342 2.120 10 30 BEEERN C#CCNC(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000115642754 588911650 /nfs/dbraw/zinc/91/16/50/588911650.db2.gz LGWBHFSWUWYLHM-RYUDHWBXSA-N 0 0 222.332 2.135 10 30 BEEERN C#C[C@H](C)OC(=O)C1(CCOC)CCCC1 ZINC000121053283 583612087 /nfs/dbraw/zinc/61/20/87/583612087.db2.gz NFDVNIRNSPTBRE-NSHDSACASA-N 0 0 224.300 2.148 10 30 BEEERN CCO[C@H](C)C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000103635719 586168613 /nfs/dbraw/zinc/16/86/13/586168613.db2.gz JFLPBRCJKNVXML-BDAKNGLRSA-N 0 0 238.312 2.053 10 30 BEEERN C=CCCOC(=O)c1cccc(NC(C)=O)c1 ZINC000103647809 586259860 /nfs/dbraw/zinc/25/98/60/586259860.db2.gz HBXZSUSZWGAGHO-UHFFFAOYSA-N 0 0 233.267 2.378 10 30 BEEERN N#C[C@@H](N)CSCc1ccc(Cl)o1 ZINC000757168530 586432638 /nfs/dbraw/zinc/43/26/38/586432638.db2.gz ASNGMYPMMUIFSK-ZCFIWIBFSA-N 0 0 216.693 2.017 10 30 BEEERN C=C1CCN(C(=O)N2CCCCC2)CC1 ZINC000201505437 589096784 /nfs/dbraw/zinc/09/67/84/589096784.db2.gz MAVAZEBPBRKYJS-UHFFFAOYSA-N 0 0 208.305 2.244 10 30 BEEERN Cc1ccc2c(CC(=O)N[C@H](C)C#N)c[nH]c2c1 ZINC000101860384 587776309 /nfs/dbraw/zinc/77/63/09/587776309.db2.gz XAUXGCDKDFTFSS-SNVBAGLBSA-N 0 0 241.294 2.047 10 30 BEEERN O=C(OCC#Cc1ccccc1)[C@@H]1CCCOC1 ZINC000102708229 587853797 /nfs/dbraw/zinc/85/37/97/587853797.db2.gz MGJKTRLBLORTIK-CQSZACIVSA-N 0 0 244.290 2.008 10 30 BEEERN C#CCOc1ccccc1OC(=O)C(C)C ZINC000107191074 588337936 /nfs/dbraw/zinc/33/79/36/588337936.db2.gz RVUUQBICTXECMW-UHFFFAOYSA-N 0 0 218.252 2.260 10 30 BEEERN C#CCOC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109153194 588524546 /nfs/dbraw/zinc/52/45/46/588524546.db2.gz FDFGOBNVKWJKLK-NXEZZACHSA-N 0 0 236.217 2.245 10 30 BEEERN CCCCCCCN1CCS(=O)(=O)[C@@H](C)C1 ZINC000119026387 589230346 /nfs/dbraw/zinc/23/03/46/589230346.db2.gz XHBBIMKVZVNRQY-LBPRGKRZSA-N 0 0 247.404 2.076 10 30 BEEERN C=CCCCN(C)Cn1c2ccccc2oc1=O ZINC000119746846 589329275 /nfs/dbraw/zinc/32/92/75/589329275.db2.gz VPWCUYSVKADFNW-UHFFFAOYSA-N 0 0 246.310 2.450 10 30 BEEERN C#CCCCCC(=O)N[C@H]1CCCC[C@@H]1OC ZINC000119914437 589347558 /nfs/dbraw/zinc/34/75/58/589347558.db2.gz HCMWOPZDXGRAAX-STQMWFEESA-N 0 0 237.343 2.254 10 30 BEEERN CC#CCNC(=O)/C=C/c1ccccc1Cl ZINC000121066725 589492248 /nfs/dbraw/zinc/49/22/48/589492248.db2.gz TUDNXQHLAMTKRK-CMDGGOBGSA-N 0 0 233.698 2.493 10 30 BEEERN C=CCCO[C@@H](C)C(=O)O[C@H](C#N)C(C)C ZINC000121600787 589520765 /nfs/dbraw/zinc/52/07/65/589520765.db2.gz POQKCZYTJZBDSS-WDEREUQCSA-N 0 0 225.288 2.059 10 30 BEEERN CC(C)[C@H](C#N)OC(=O)CCc1ccncc1 ZINC000122364589 589584580 /nfs/dbraw/zinc/58/45/80/589584580.db2.gz XSTSRNAYMUOXBO-LBPRGKRZSA-N 0 0 232.283 2.106 10 30 BEEERN CC#CCOC(=O)/C=C/c1ccnc(Cl)c1 ZINC000123174788 589670846 /nfs/dbraw/zinc/67/08/46/589670846.db2.gz CISPYDWPXRDNPJ-SNAWJCMRSA-N 0 0 235.670 2.315 10 30 BEEERN C=CCCOC(=O)c1ccnc(-n2ccnc2)c1 ZINC000124209488 589963997 /nfs/dbraw/zinc/96/39/97/589963997.db2.gz 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/nfs/dbraw/zinc/43/28/28/976432828.db2.gz KBWKDFTTZKGDOK-UHFFFAOYSA-N 0 0 247.294 2.131 10 30 BEEERN C=C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C(=O)[O-] ZINC000693350118 976598965 /nfs/dbraw/zinc/59/89/65/976598965.db2.gz VNFQXQNEAWOUKG-SECBINFHSA-N 0 0 233.258 2.041 10 30 BEEERN C#C[C@H]1CCC[N@@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000701805524 977040733 /nfs/dbraw/zinc/04/07/33/977040733.db2.gz VFSBWYHHIAXAIE-JTQLQIEISA-N 0 0 249.335 2.292 10 30 BEEERN Cc1cn2c(nc(C)c2CNCCC#N)s1 ZINC000036822508 1170919646 /nfs/dbraw/zinc/91/96/46/1170919646.db2.gz PUFPNOWHRNMTSW-UHFFFAOYSA-N 0 0 234.328 2.016 10 30 BEEERN Cc1cc(C#CC(=O)OC(C)(C)C)ccn1 ZINC000685954462 538899436 /nfs/dbraw/zinc/89/94/36/538899436.db2.gz XQJBOGPRIGVRMH-UHFFFAOYSA-N 0 0 217.268 2.083 10 30 BEEERN C=C[C@@H](C)OCC(F)(F)CNCCC ZINC000685957845 538905673 /nfs/dbraw/zinc/90/56/73/538905673.db2.gz IPCJKFIBSBPROW-SECBINFHSA-N 0 0 207.264 2.212 10 30 BEEERN CCCC(=O)C(=N)[C@@H](C)OCc1ccccc1 ZINC000685958775 538906527 /nfs/dbraw/zinc/90/65/27/538906527.db2.gz AFGNOPHHOLHNCD-HSUNPXRSSA-N 0 0 233.311 2.064 10 30 BEEERN N#Cc1cnc2ccc(C(F)(F)F)cn12 ZINC000514261201 538915016 /nfs/dbraw/zinc/91/50/16/538915016.db2.gz BBTNUVYVCUKMIK-UHFFFAOYSA-N 0 0 211.146 2.225 10 30 BEEERN C=C(Cl)Cn1cc2ccc(N)cc2n1 ZINC000685965847 538912425 /nfs/dbraw/zinc/91/24/25/538912425.db2.gz VSWMOWLTAPFPLL-UHFFFAOYSA-N 0 0 207.664 2.371 10 30 BEEERN CCC(CC)(CO)Nc1ccc(N)cc1C#N ZINC000053045438 168330027 /nfs/dbraw/zinc/33/00/27/168330027.db2.gz ODSQVKJSYVSDLR-UHFFFAOYSA-N 0 0 233.315 2.103 10 30 BEEERN CC[C@@H](S)C(=O)Nc1ccccc1F ZINC000307400623 398161803 /nfs/dbraw/zinc/16/18/03/398161803.db2.gz HLODOZKONQQBAN-SECBINFHSA-N 0 0 213.277 2.473 10 30 BEEERN Cc1cc(Cl)c2ncc(CC#N)n2c1 ZINC000082694246 178062066 /nfs/dbraw/zinc/06/20/66/178062066.db2.gz QMYPYTYMCQMAPF-UHFFFAOYSA-N 0 0 205.648 2.362 10 30 BEEERN Cc1cc(N)ccc1N(C)C[C@H](C)C#N ZINC000042455135 178105229 /nfs/dbraw/zinc/10/52/29/178105229.db2.gz WNIKZSBBHHEGRL-SECBINFHSA-N 0 0 203.289 2.173 10 30 BEEERN Cc1cc(NCC(C)(C)CCO)c(C#N)c(C)n1 ZINC000227594096 178157395 /nfs/dbraw/zinc/15/73/95/178157395.db2.gz SIUHVKQXTRSABH-UHFFFAOYSA-N 0 0 247.342 2.391 10 30 BEEERN C[C@@H]1CC[C@H](CO)CN1c1cccc(F)c1C#N ZINC000119403043 398212088 /nfs/dbraw/zinc/21/20/88/398212088.db2.gz ZNRSNEYHOZYAEL-MNOVXSKESA-N 0 0 248.301 2.295 10 30 BEEERN Cc1cc(NC[C@@](C)(O)C(C)C)c(C#N)c(C)n1 ZINC000301807904 178166815 /nfs/dbraw/zinc/16/68/15/178166815.db2.gz YJJBIYJGPDSIGF-CQSZACIVSA-N 0 0 247.342 2.389 10 30 BEEERN Cc1cc(NC[C@H]2CC[C@@H](O)C2)c(C#N)c(C)n1 ZINC000235911139 178170229 /nfs/dbraw/zinc/17/02/29/178170229.db2.gz HZZISWBFYVVTNL-NWDGAFQWSA-N 0 0 245.326 2.143 10 30 BEEERN CC1(C)C[C@H]1c1noc(-c2ccc(C#N)[nH]2)n1 ZINC000230996193 192029251 /nfs/dbraw/zinc/02/92/51/192029251.db2.gz BIMABQCWCAJFSQ-QMMMGPOBSA-N 0 0 228.255 2.450 10 30 BEEERN Cc1cc([C@H](C#N)N2CCOCC2)c(C)s1 ZINC000049688013 178243707 /nfs/dbraw/zinc/24/37/07/178243707.db2.gz MDMOCXMLXLPOBY-LBPRGKRZSA-N 0 0 236.340 2.262 10 30 BEEERN C=C(C)CNC(=O)[C@H](C)c1ccc(OC)cc1 ZINC000160939817 136226406 /nfs/dbraw/zinc/22/64/06/136226406.db2.gz BOGINRNUNCCARQ-LLVKDONJSA-N 0 0 233.311 2.491 10 30 BEEERN CCOC(=O)[C@@H]1O[C@@]1(C)CCCC(F)(F)F ZINC000166775396 538939665 /nfs/dbraw/zinc/93/96/65/538939665.db2.gz BOFSPMWGOVESOL-CBAPKCEASA-N 0 0 240.221 2.440 10 30 BEEERN Cc1ccc(-c2nc(CC#N)no2)s1 ZINC000073641440 178334876 /nfs/dbraw/zinc/33/48/76/178334876.db2.gz ZNLVHOQNBGVWCC-UHFFFAOYSA-N 0 0 205.242 2.173 10 30 BEEERN Cc1ccc(N=C2NC(=N)c3ccccc32)nc1 ZINC000040802675 178359415 /nfs/dbraw/zinc/35/94/15/178359415.db2.gz SLARMVPKINGANU-UHFFFAOYSA-N 0 0 236.278 2.187 10 30 BEEERN Cc1ccc(=O)n(-c2ccc(C#N)cc2)c1 ZINC000044460307 178361515 /nfs/dbraw/zinc/36/15/15/178361515.db2.gz YGNLAKNPHZNQGX-UHFFFAOYSA-N 0 0 210.236 2.018 10 30 BEEERN Cc1ccc(C#N)cc1NC[C@H]1CCOC1 ZINC000050429516 178367816 /nfs/dbraw/zinc/36/78/16/178367816.db2.gz UPDNUHLLNHBWBV-GFCCVEGCSA-N 0 0 216.284 2.315 10 30 BEEERN Cc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@H]1C ZINC000170828582 178367879 /nfs/dbraw/zinc/36/78/79/178367879.db2.gz NWTBHNBKWCXSIJ-KOLCDFICSA-N 0 0 229.283 2.397 10 30 BEEERN Cc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H]1C ZINC000170828577 178367953 /nfs/dbraw/zinc/36/79/53/178367953.db2.gz NWTBHNBKWCXSIJ-ONGXEEELSA-N 0 0 229.283 2.397 10 30 BEEERN Cc1ccc(C(=O)N2CCC[C@@H]2C#N)cc1C ZINC000057517919 178388568 /nfs/dbraw/zinc/38/85/68/178388568.db2.gz MQFDNHJWGYUGEZ-CYBMUJFWSA-N 0 0 228.295 2.432 10 30 BEEERN C=CC(=O)[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406080716 538963223 /nfs/dbraw/zinc/96/32/23/538963223.db2.gz WPFYSRCOAMQULN-SNVBAGLBSA-N 0 0 225.288 2.045 10 30 BEEERN C=CC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000405823722 538961280 /nfs/dbraw/zinc/96/12/80/538961280.db2.gz YEYLYGCZQLOUBC-UWVGGRQHSA-N 0 0 239.315 2.435 10 30 BEEERN CCn1nccc1C1=CC(=O)C[C@@H](C)C1 ZINC000306656594 361863991 /nfs/dbraw/zinc/86/39/91/361863991.db2.gz HENYJEITRIYQLR-VIFPVBQESA-N 0 0 204.273 2.285 10 30 BEEERN CCC#CCCC(=O)CP(=O)(OC)OC ZINC000145693620 342762493 /nfs/dbraw/zinc/76/24/93/342762493.db2.gz KREMNNSMJHRMMU-UHFFFAOYSA-N 0 0 232.216 2.235 10 30 BEEERN C=C[C@H](OC(C)=O)c1ccc(C(=O)OC)cc1 ZINC000145971975 342764916 /nfs/dbraw/zinc/76/49/16/342764916.db2.gz IAERZJDBIUYNLP-LBPRGKRZSA-N 0 0 234.251 2.263 10 30 BEEERN COc1ccc2c(c1)[C@]1(CCC2)O[C@H]1C#N ZINC000390085749 539020080 /nfs/dbraw/zinc/02/00/80/539020080.db2.gz FWVFMSPNBYJPPH-STQMWFEESA-N 0 0 215.252 2.149 10 30 BEEERN Cc1csc(CNc2ccnc(C#N)c2)n1 ZINC000061811834 539015644 /nfs/dbraw/zinc/01/56/44/539015644.db2.gz VBXFIUUGFDEANG-UHFFFAOYSA-N 0 0 230.296 2.330 10 30 BEEERN C[C@@H](C=NNC(N)=S)C1CCCCC1 ZINC000308528497 342853428 /nfs/dbraw/zinc/85/34/28/342853428.db2.gz YKLNUFPIQVTOCT-QMMMGPOBSA-N 0 0 213.350 2.022 10 30 BEEERN C/C=C\C(=O)c1ccc(C(=O)OCC)o1 ZINC000308808626 342872103 /nfs/dbraw/zinc/87/21/03/342872103.db2.gz PMZQRWAXCNUEJW-HYXAFXHYSA-N 0 0 208.213 2.215 10 30 BEEERN COC(=O)c1ccc(C#N)c(Cl)c1C ZINC000165132699 342877640 /nfs/dbraw/zinc/87/76/40/342877640.db2.gz YCHIGIIHDBULTI-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN CCc1nc2c(C#N)cnn2c(Cl)c1C ZINC000229931172 342857182 /nfs/dbraw/zinc/85/71/82/342857182.db2.gz LGGPGJOPIWBWBC-UHFFFAOYSA-N 0 0 220.663 2.125 10 30 BEEERN CC(=O)/C=C/C1=C(C)[C@H]2CC[C@H](C)[C@H]2[C@@H](O)O1 ZINC000015266093 342893819 /nfs/dbraw/zinc/89/38/19/342893819.db2.gz SSFLZIBVARYADM-XQBJPKDPSA-N 0 0 236.311 2.417 10 30 BEEERN CSCCCC(=O)NC1(C#N)CCCC1 ZINC000134848324 342902321 /nfs/dbraw/zinc/90/23/21/342902321.db2.gz RBVVWXPAPPVXPV-UHFFFAOYSA-N 0 0 226.345 2.082 10 30 BEEERN COc1c(OC(F)(F)F)ccnc1CC#N ZINC000309189090 342904272 /nfs/dbraw/zinc/90/42/72/342904272.db2.gz MCRGMSRGHDPQCD-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN COC(=O)CCC(C)N=Nc1ccccc1 ZINC000017285269 342923051 /nfs/dbraw/zinc/92/30/51/342923051.db2.gz PZMVWCPJOLBZHO-JLHYYAGUSA-N 0 0 220.272 2.428 10 30 BEEERN CCc1cnc(CN[C@H]2CCCC[C@H]2C#N)o1 ZINC000231645598 398325659 /nfs/dbraw/zinc/32/56/59/398325659.db2.gz SPUDYQZETCVETG-JQWIXIFHSA-N 0 0 233.315 2.409 10 30 BEEERN N#CCCC1=N[C@@H](c2ccccc2)CO1 ZINC000260014034 349639020 /nfs/dbraw/zinc/63/90/20/349639020.db2.gz GVRVYXGBBKJRDD-LLVKDONJSA-N 0 0 200.241 2.460 10 30 BEEERN Nc1cccc(C(=O)C2=CCCCO2)c1 ZINC000167684196 346873405 /nfs/dbraw/zinc/87/34/05/346873405.db2.gz DILOTGRGODDEPS-UHFFFAOYSA-N 0 0 203.241 2.146 10 30 BEEERN CC(C)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000049817709 398333427 /nfs/dbraw/zinc/33/34/27/398333427.db2.gz MSRRDAFENBJNEI-NSHDSACASA-N 0 0 220.247 2.163 10 30 BEEERN C=C(C(=O)OCC)[C@@H](O)c1cccc(Cl)c1 ZINC000019836135 187206453 /nfs/dbraw/zinc/20/64/53/187206453.db2.gz PFQZKPPCYZEHIK-LLVKDONJSA-N 0 0 240.686 2.493 10 30 BEEERN O=C(C1=COCC1)[C@H]1CCC(F)(F)C1 ZINC000306663737 362020514 /nfs/dbraw/zinc/02/05/14/362020514.db2.gz WEPLFRUJAYGBTE-ZETCQYMHSA-N 0 0 202.200 2.295 10 30 BEEERN O=C1CCc2cc(C#Cc3cccnc3)ccc2N1 ZINC000013449992 343088415 /nfs/dbraw/zinc/08/84/15/343088415.db2.gz LMUOBICMEAOSLC-UHFFFAOYSA-N 0 0 248.285 2.366 10 30 BEEERN C=CCC[C@@]1(C(F)(F)F)C=CC(=O)O1 ZINC000210335832 343122292 /nfs/dbraw/zinc/12/22/92/343122292.db2.gz NNSIDJPZELIKNM-QMMMGPOBSA-N 0 0 206.163 2.367 10 30 BEEERN C[C@H](C#N)NCc1cc2c(s1)CCC2 ZINC000043515274 343115021 /nfs/dbraw/zinc/11/50/21/343115021.db2.gz QSJDMMBVRYONLB-MRVPVSSYSA-N 0 0 206.314 2.238 10 30 BEEERN C[C@H](C#N)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000043522782 343125606 /nfs/dbraw/zinc/12/56/06/343125606.db2.gz CVQYCLYJPVJRAV-ZCFIWIBFSA-N 0 0 210.164 2.025 10 30 BEEERN CC#CCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000276155149 187239194 /nfs/dbraw/zinc/23/91/94/187239194.db2.gz ZUQZXDLLYCUTGP-CQSZACIVSA-N 0 0 243.354 2.449 10 30 BEEERN CCC#C[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000144853289 343139747 /nfs/dbraw/zinc/13/97/47/343139747.db2.gz PCHOPLRJPMDQGR-SNVBAGLBSA-N 0 0 227.263 2.085 10 30 BEEERN COc1cc(Cl)ccc1C(=O)CC#N ZINC000043565476 343165382 /nfs/dbraw/zinc/16/53/82/343165382.db2.gz WPOJKSKGLBIDEN-UHFFFAOYSA-N 0 0 209.632 2.445 10 30 BEEERN N#Cc1cnccc1C(=O)NC1CCCCC1 ZINC000090568269 187243274 /nfs/dbraw/zinc/24/32/74/187243274.db2.gz XCAGTICBUTXUHA-UHFFFAOYSA-N 0 0 229.283 2.016 10 30 BEEERN N#C[C@H](NC(=O)CSc1ccccc1)C1CC1 ZINC000108828606 136275437 /nfs/dbraw/zinc/27/54/37/136275437.db2.gz SNOAKXRHHZGMCP-LBPRGKRZSA-N 0 0 246.335 2.197 10 30 BEEERN C=CCOc1ccc(OC[C@H]2CO2)cc1 ZINC000006744770 187249057 /nfs/dbraw/zinc/24/90/57/187249057.db2.gz DFBHOGPZPXMYJJ-LBPRGKRZSA-N 0 0 206.241 2.029 10 30 BEEERN COC(=O)C(C)(C)[C@H](C#N)c1ccccc1 ZINC000165831546 343237661 /nfs/dbraw/zinc/23/76/61/343237661.db2.gz ZUNCVRYXTFQBKM-LLVKDONJSA-N 0 0 217.268 2.493 10 30 BEEERN Cc1cccc(C)c1Cn1ccnc1C#N ZINC000215747183 136277796 /nfs/dbraw/zinc/27/77/96/136277796.db2.gz NHQGQESBEMCTKH-UHFFFAOYSA-N 0 0 211.268 2.420 10 30 BEEERN N#C[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000011894043 187250531 /nfs/dbraw/zinc/25/05/31/187250531.db2.gz ZWJHBATUCWDWOQ-NSHDSACASA-N 0 0 248.713 2.255 10 30 BEEERN O[C@@H](C/N=C/c1ccc[nH]1)c1ccccc1 ZINC000238720190 343258221 /nfs/dbraw/zinc/25/82/21/343258221.db2.gz CVXHBDLIUBKMSO-FYQHACEVSA-N 0 0 214.268 2.167 10 30 BEEERN N#Cc1c(N)c(F)ccc1C(F)(F)F ZINC000034559841 343274940 /nfs/dbraw/zinc/27/49/40/343274940.db2.gz IEWKERHYENUVPY-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN N#C[C@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000036427428 343318779 /nfs/dbraw/zinc/31/87/79/343318779.db2.gz BTVIFKHFXAZCOT-ZDUSSCGKSA-N 0 0 237.262 2.076 10 30 BEEERN N#Cc1cc(F)c([O-])c([C@H]2CCCC[NH2+]2)c1 ZINC000309332546 343294073 /nfs/dbraw/zinc/29/40/73/343294073.db2.gz XJSNQSRDKICTAJ-LLVKDONJSA-N 0 0 220.247 2.218 10 30 BEEERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC/C(N)=N/O ZINC000034651156 187257832 /nfs/dbraw/zinc/25/78/32/187257832.db2.gz QVOFAUKNZWRAOA-OUAUKWLOSA-N 0 0 228.336 2.210 10 30 BEEERN CC(=O)Nc1cccc(NC2=N[C@@H](C)CS2)c1 ZINC000035294850 187258454 /nfs/dbraw/zinc/25/84/54/187258454.db2.gz PTLOMYZLQOGFHF-QMMMGPOBSA-N 0 0 249.339 2.357 10 30 BEEERN CCOc1ccc(C(=O)C[C@@H](C)C=O)cc1 ZINC000039098838 343383040 /nfs/dbraw/zinc/38/30/40/343383040.db2.gz IIVULKURJOPTPO-SNVBAGLBSA-N 0 0 220.268 2.493 10 30 BEEERN C[Si](C)(C)C#Cc1cnc2n[nH]cc2c1 ZINC000202385030 343424581 /nfs/dbraw/zinc/42/45/81/343424581.db2.gz VZJSPXBKSOBDEX-UHFFFAOYSA-N 0 0 215.332 2.187 10 30 BEEERN C#C[C@@H](C)Oc1ncnc(Cl)c1CC ZINC000234133410 343445418 /nfs/dbraw/zinc/44/54/18/343445418.db2.gz WBEJTWZTLYDJFL-SSDOTTSWSA-N 0 0 210.664 2.093 10 30 BEEERN CCCCC[C@H](O)C#CBr ZINC000196441124 343450077 /nfs/dbraw/zinc/45/00/77/343450077.db2.gz CTUJNCGPJWAYDW-QMMMGPOBSA-N 0 0 205.095 2.283 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)C[C@H]1CCCC[C@@H]1O ZINC000329299720 136364941 /nfs/dbraw/zinc/36/49/41/136364941.db2.gz VCJIYEVZJXKRMN-KKOKHZNYSA-N 0 0 241.331 2.062 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1cccc2c1OCO2 ZINC000054826166 136373191 /nfs/dbraw/zinc/37/31/91/136373191.db2.gz WQOCETQJOSQKKM-PWSUYJOCSA-N 0 0 244.294 2.197 10 30 BEEERN COc1ccc([C@@H](C#N)NC2CCCC2)cc1O ZINC000037968399 187262250 /nfs/dbraw/zinc/26/22/50/187262250.db2.gz KAKZNCHHBXDENQ-GFCCVEGCSA-N 0 0 246.310 2.498 10 30 BEEERN N#C[C@]1(NC2CCCC2)COc2cc(O)ccc21 ZINC000037968435 187262328 /nfs/dbraw/zinc/26/23/28/187262328.db2.gz RYSMEMOTHLZEAX-AWEZNQCLSA-N 0 0 244.294 2.036 10 30 BEEERN c1nc2ccc(OC[C@H]3CO3)cc2s1 ZINC000045237676 343526612 /nfs/dbraw/zinc/52/66/12/343526612.db2.gz UOMGJBDFEXLNDQ-QMMMGPOBSA-N 0 0 207.254 2.074 10 30 BEEERN c1nc2ccc(OC[C@@H]3CO3)cc2s1 ZINC000045237675 343526797 /nfs/dbraw/zinc/52/67/97/343526797.db2.gz UOMGJBDFEXLNDQ-MRVPVSSYSA-N 0 0 207.254 2.074 10 30 BEEERN N#Cc1cccc(-n2ncc(-c3ccccn3)n2)c1 ZINC000013582339 343580734 /nfs/dbraw/zinc/58/07/34/343580734.db2.gz KVAVDXIKDLLDAN-UHFFFAOYSA-N 0 0 247.261 2.201 10 30 BEEERN C#CCN[C@@H](C#N)c1ccccc1C(F)(F)F ZINC000051962950 166191068 /nfs/dbraw/zinc/19/10/68/166191068.db2.gz OVTSRKGZDSIXPA-NSHDSACASA-N 0 0 238.212 2.493 10 30 BEEERN N#CCc1ccc(O)cc1OC(F)(F)F ZINC000083593241 187267816 /nfs/dbraw/zinc/26/78/16/187267816.db2.gz UQMDUFIYDCPXNP-UHFFFAOYSA-N 0 0 217.146 2.357 10 30 BEEERN COc1ccccc1[C@H](C)N[C@H](C)C#N ZINC000088162752 343709530 /nfs/dbraw/zinc/70/95/30/343709530.db2.gz YFZJKQILQPIFMN-ZJUUUORDSA-N 0 0 204.273 2.258 10 30 BEEERN CC(C)OCc1sccc1C#CCO ZINC000043682691 343700461 /nfs/dbraw/zinc/70/04/61/343700461.db2.gz KMQNQDSGHRUCHH-UHFFFAOYSA-N 0 0 210.298 2.017 10 30 BEEERN CSCc1cc(C#CCCO)cs1 ZINC000043699731 343703774 /nfs/dbraw/zinc/70/37/74/343703774.db2.gz OHTQATBXEUSNBI-UHFFFAOYSA-N 0 0 212.339 2.345 10 30 BEEERN CN(C)/C=C1/CCc2sccc2C1=O ZINC000082545876 537805770 /nfs/dbraw/zinc/80/57/70/537805770.db2.gz NACNWVIODNHIQA-FPLPWBNLSA-N 0 0 207.298 2.323 10 30 BEEERN CC(C)(C)[C@@H]1CCCC[C@]1(C#N)NCCO ZINC000053707693 187272461 /nfs/dbraw/zinc/27/24/61/187272461.db2.gz SGJXGKJWPOHJBN-WCQYABFASA-N 0 0 224.348 2.067 10 30 BEEERN CCC1CCC(C#N)(NC(=O)OC)CC1 ZINC000040361679 187272219 /nfs/dbraw/zinc/27/22/19/187272219.db2.gz YHPLPLGYIAPTEB-UHFFFAOYSA-N 0 0 210.277 2.205 10 30 BEEERN O=Cc1cccnc1C#Cc1ccccc1 ZINC000036437332 343779614 /nfs/dbraw/zinc/77/96/14/343779614.db2.gz IULKFNUYSZGMNW-UHFFFAOYSA-N 0 0 207.232 2.294 10 30 BEEERN C#CCn1cc(C#N)c(-c2ccccc2)n1 ZINC000409436855 343841273 /nfs/dbraw/zinc/84/12/73/343841273.db2.gz BMOFSJCUWCHOIS-UHFFFAOYSA-N 0 0 207.236 2.055 10 30 BEEERN C#CCn1nc(-c2ccncc2)cc1C1CC1 ZINC000409438258 343850238 /nfs/dbraw/zinc/85/02/38/343850238.db2.gz BUBMONZLKVBGGF-UHFFFAOYSA-N 0 0 223.279 2.456 10 30 BEEERN COCC#Cc1ncccc1C(F)(F)F ZINC000585145061 343880417 /nfs/dbraw/zinc/88/04/17/343880417.db2.gz CLYDIPFLARGXID-UHFFFAOYSA-N 0 0 215.174 2.098 10 30 BEEERN Cc1[nH]nc(-c2ccncc2)c1CCC#N ZINC000409441895 343861827 /nfs/dbraw/zinc/86/18/27/343861827.db2.gz UMFZAXFHALZXOG-UHFFFAOYSA-N 0 0 212.256 2.236 10 30 BEEERN C#CCn1nc(-c2cccs2)cc1C(=N)OC ZINC000409443861 343863386 /nfs/dbraw/zinc/86/33/86/343863386.db2.gz VOFWXJCMLARCFE-UHFFFAOYSA-N 0 0 245.307 2.217 10 30 BEEERN C#CCN(C)c1c(Cl)cccc1C=O ZINC000234252318 343901679 /nfs/dbraw/zinc/90/16/79/343901679.db2.gz SNHNEKMGHVABPP-UHFFFAOYSA-N 0 0 207.660 2.222 10 30 BEEERN OCC#Cc1ccc(Cl)c2cnccc12 ZINC000096839049 343905316 /nfs/dbraw/zinc/90/53/16/343905316.db2.gz RHMHHMABOKAPJK-UHFFFAOYSA-N 0 0 217.655 2.232 10 30 BEEERN CCN(C)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000335890818 344044640 /nfs/dbraw/zinc/04/46/40/344044640.db2.gz QMOYQAKVSFDNAY-ZYHUDNBSSA-N 0 0 223.320 2.120 10 30 BEEERN CN(C)c1ccc(Nc2nccc(C#N)n2)cc1 ZINC000082305203 187281643 /nfs/dbraw/zinc/28/16/43/187281643.db2.gz IKCVQLHPOCBENQ-UHFFFAOYSA-N 0 0 239.282 2.158 10 30 BEEERN Cn1cc(C#N)cc1-c1nc([C@H]2CC23CC3)no1 ZINC000335163869 343965912 /nfs/dbraw/zinc/96/59/12/343965912.db2.gz MDQFTJYCIGRGNW-SECBINFHSA-N 0 0 240.266 2.214 10 30 BEEERN C=C[C@@H](NC)c1ccoc1Br ZINC000234435216 343966917 /nfs/dbraw/zinc/96/69/17/343966917.db2.gz ODEUNWDEAJBRIX-SSDOTTSWSA-N 0 0 216.078 2.489 10 30 BEEERN C=C[C@H](NC)c1ccoc1Br ZINC000234432700 343967116 /nfs/dbraw/zinc/96/71/16/343967116.db2.gz ODEUNWDEAJBRIX-ZETCQYMHSA-N 0 0 216.078 2.489 10 30 BEEERN CN[C@H](C#N)c1ccc(F)cc1Br ZINC000234450402 343967186 /nfs/dbraw/zinc/96/71/86/343967186.db2.gz IUEQZNPSZKNMEH-SECBINFHSA-N 0 0 243.079 2.372 10 30 BEEERN Cc1cc(C#N)cc(C)c1O[C@H](C)[C@H](C)O ZINC000087130969 187286267 /nfs/dbraw/zinc/28/62/67/187286267.db2.gz ZYDVNTFVVFZQGE-WDEREUQCSA-N 0 0 219.284 2.323 10 30 BEEERN C[C@H](Nc1cnc(C#N)cn1)c1ccco1 ZINC000070581208 187358247 /nfs/dbraw/zinc/35/82/47/187358247.db2.gz SPCNSEZAICMTTR-QMMMGPOBSA-N 0 0 214.228 2.114 10 30 BEEERN N#CCCCn1cc2c(c1)C(=O)CCC2 ZINC000135403161 344258006 /nfs/dbraw/zinc/25/80/06/344258006.db2.gz JMLLJQGBMWPVAK-UHFFFAOYSA-N 0 0 202.257 2.311 10 30 BEEERN C#CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000034384128 344321948 /nfs/dbraw/zinc/32/19/48/344321948.db2.gz QIVNLQJFFRWWLE-UHFFFAOYSA-N 0 0 235.242 2.069 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061889077 344424524 /nfs/dbraw/zinc/42/45/24/344424524.db2.gz OYINKCOTAVORFZ-DTWKUNHWSA-N 0 0 210.277 2.203 10 30 BEEERN SC/C=C/Cn1cnc2c1CCCC2 ZINC000127429116 344375196 /nfs/dbraw/zinc/37/51/96/344375196.db2.gz COHNHEHPPOHQTE-ONEGZZNKSA-N 0 0 208.330 2.248 10 30 BEEERN CCOC(=O)C#CCSc1ccccc1 ZINC000145670496 344375507 /nfs/dbraw/zinc/37/55/07/344375507.db2.gz OTQDYIFICRMJLF-UHFFFAOYSA-N 0 0 220.293 2.345 10 30 BEEERN CC(C)c1n[nH]c(C2CCOCC2)c1C#N ZINC000409438802 344461228 /nfs/dbraw/zinc/46/12/28/344461228.db2.gz FZNHUKFHSUBAEK-UHFFFAOYSA-N 0 0 219.288 2.299 10 30 BEEERN N#Cc1cc(Cc2ccsc2)ncn1 ZINC000409436571 344463004 /nfs/dbraw/zinc/46/30/04/344463004.db2.gz JQHJXVNBSIHISI-UHFFFAOYSA-N 0 0 201.254 2.001 10 30 BEEERN Cc1nn2ccn(CC3CCC3)c2c1C#N ZINC000409437676 344463284 /nfs/dbraw/zinc/46/32/84/344463284.db2.gz IFCZWXCSQZCGLY-UHFFFAOYSA-N 0 0 214.272 2.116 10 30 BEEERN N#Cc1cc(C2CCOCC2)nc(C2CC2)n1 ZINC000409438318 344463383 /nfs/dbraw/zinc/46/33/83/344463383.db2.gz LRAWVXFNDFXVBT-UHFFFAOYSA-N 0 0 229.283 2.120 10 30 BEEERN CCc1ccc(CC(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000119720141 344469258 /nfs/dbraw/zinc/46/92/58/344469258.db2.gz ANCHCPWBGCLDOV-AWEZNQCLSA-N 0 0 242.322 2.210 10 30 BEEERN CCOc1ccc([C@@H](C)NCC#N)cc1 ZINC000120204844 347052479 /nfs/dbraw/zinc/05/24/79/347052479.db2.gz OXRZLZWYKUKLFL-SNVBAGLBSA-N 0 0 204.273 2.259 10 30 BEEERN CC(C)[C@H]1C[C@](Br)(C#N)CCO1 ZINC000127620711 344576268 /nfs/dbraw/zinc/57/62/68/344576268.db2.gz RSQJEYZFECUYBJ-BDAKNGLRSA-N 0 0 232.121 2.479 10 30 BEEERN C#C[C@@H](NN)c1cc(Cl)cc(Cl)c1 ZINC000158101042 344543935 /nfs/dbraw/zinc/54/39/35/344543935.db2.gz XOHRXFBRXWRRQP-SECBINFHSA-N 0 0 215.083 2.131 10 30 BEEERN CSC[C@@H](C)Nc1cccnc1C#N ZINC000127663889 344591703 /nfs/dbraw/zinc/59/17/03/344591703.db2.gz GJLPHFFPLUTIBK-MRVPVSSYSA-N 0 0 207.302 2.117 10 30 BEEERN N#Cc1c(N)ccc(OC(F)(F)F)c1F ZINC000396134503 344612646 /nfs/dbraw/zinc/61/26/46/344612646.db2.gz DUNFFKHMLNAAIN-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN N#Cc1cc(F)cc(OC(F)(F)F)c1N ZINC000396137746 344613922 /nfs/dbraw/zinc/61/39/22/344613922.db2.gz PPJJKQSBGGXQMG-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN N#CCc1cc(F)c(C(F)(F)F)cc1N ZINC000396093629 344600055 /nfs/dbraw/zinc/60/00/55/344600055.db2.gz IOJMSAFMIXLCHE-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN N#CCc1cc(C(F)(F)F)c(F)cc1N ZINC000396106666 344603301 /nfs/dbraw/zinc/60/33/01/344603301.db2.gz VMUVRRIQUAFURC-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN N#CCc1ccc(F)c(C(F)(F)F)c1N ZINC000396108024 344603904 /nfs/dbraw/zinc/60/39/04/344603904.db2.gz YNUMSNPAAFJNBX-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN N#CCc1cc([N+](=O)[O-])c(C(F)(F)F)cn1 ZINC000396121309 344608480 /nfs/dbraw/zinc/60/84/80/344608480.db2.gz PXHZYNSJVRQQCR-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C=C[C@@H](NN)c1sccc1Br ZINC000158442832 344655160 /nfs/dbraw/zinc/65/51/60/344655160.db2.gz FQEZUKGUDAROEN-ZCFIWIBFSA-N 0 0 233.134 2.201 10 30 BEEERN C[C@H](O)c1cc(Cl)ccc1OCC#N ZINC000050211142 344657588 /nfs/dbraw/zinc/65/75/88/344657588.db2.gz ORKQJOWVRGVWOH-ZETCQYMHSA-N 0 0 211.648 2.296 10 30 BEEERN C[C@@H](CS)C(=O)N1CCc2ccccc2C1 ZINC000029570877 344673571 /nfs/dbraw/zinc/67/35/71/344673571.db2.gz TYLXHTVATOWOEK-JTQLQIEISA-N 0 0 235.352 2.137 10 30 BEEERN C[C@H](CS)C(=O)N1CCc2ccccc2C1 ZINC000029570879 344673574 /nfs/dbraw/zinc/67/35/74/344673574.db2.gz TYLXHTVATOWOEK-SNVBAGLBSA-N 0 0 235.352 2.137 10 30 BEEERN CC(C)Cn1nc(-c2ccccn2)cc1C#N ZINC000259409366 344621874 /nfs/dbraw/zinc/62/18/74/344621874.db2.gz RHSPXZZPYCAGHO-UHFFFAOYSA-N 0 0 226.283 2.473 10 30 BEEERN Cc1ccc(N(C)c2ccc(C#N)cc2)nn1 ZINC000061957240 178701698 /nfs/dbraw/zinc/70/16/98/178701698.db2.gz DKIUJNALWXPJRO-UHFFFAOYSA-N 0 0 224.267 2.425 10 30 BEEERN C[C@H](C#N)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289361912 344709412 /nfs/dbraw/zinc/70/94/12/344709412.db2.gz AGZXTORGHDRPTC-TZMCWYRMSA-N 0 0 241.338 2.035 10 30 BEEERN CC1(C)CCC[C@@H](OS(C)(=O)=O)CC1 ZINC000166201564 344781388 /nfs/dbraw/zinc/78/13/88/344781388.db2.gz FCNZLWFXNWPDCD-SECBINFHSA-N 0 0 220.334 2.322 10 30 BEEERN Cc1ccc(NC(=O)C2CCC2)c(C#CCO)c1 ZINC000037549071 178721601 /nfs/dbraw/zinc/72/16/01/178721601.db2.gz NYCGQNBCOXZDIN-UHFFFAOYSA-N 0 0 243.306 2.077 10 30 BEEERN Cc1ccc(C)c([C@@H](C)OS(C)(=O)=O)c1 ZINC000166203968 344788435 /nfs/dbraw/zinc/78/84/35/344788435.db2.gz AACZMBKXRRRJIW-SNVBAGLBSA-N 0 0 228.313 2.341 10 30 BEEERN COC(=O)C[C@]1([C@@H]2CO2)CC[C@H](C)[C@H](C)C1 ZINC000675053231 537864500 /nfs/dbraw/zinc/86/45/00/537864500.db2.gz LZZVMCVPJCYUFX-NOHGZBONSA-N 0 0 226.316 2.391 10 30 BEEERN C#C[C@@H](C)Oc1nc(Cl)ncc1Cl ZINC000235232684 344852896 /nfs/dbraw/zinc/85/28/96/344852896.db2.gz OAVMAJYTSOTWBU-RXMQYKEDSA-N 0 0 217.055 2.184 10 30 BEEERN CCOC(=O)C[C@]1([C@H]2CO2)CC[C@H](C)C1 ZINC000675053273 537866289 /nfs/dbraw/zinc/86/62/89/537866289.db2.gz MCGARPKITWGZSL-UMNHJUIQSA-N 0 0 212.289 2.145 10 30 BEEERN CC(C)(C#N)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000042092298 534973327 /nfs/dbraw/zinc/97/33/27/534973327.db2.gz BUDQBGVHXNWPNO-LLVKDONJSA-N 0 0 244.294 2.176 10 30 BEEERN CC(C)(C#N)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000044410568 534975103 /nfs/dbraw/zinc/97/51/03/534975103.db2.gz PUYQRMALXVGCRS-RYUDHWBXSA-N 0 0 228.295 2.208 10 30 BEEERN Cc1cccc(F)c1NC(=O)[C@@H](C)S ZINC000235294320 344875574 /nfs/dbraw/zinc/87/55/74/344875574.db2.gz FMMDEJPRBHWGPH-SSDOTTSWSA-N 0 0 213.277 2.391 10 30 BEEERN C#CCCn1c(=O)cc(Cl)nc1C(C)C ZINC000166376027 344880097 /nfs/dbraw/zinc/88/00/97/344880097.db2.gz ZDJKRCVOHUQSBC-UHFFFAOYSA-N 0 0 224.691 2.043 10 30 BEEERN C[C@@H]1CCCCCN1C(=O)CCS ZINC000235378167 344897875 /nfs/dbraw/zinc/89/78/75/344897875.db2.gz JONVFGYXCNOFBL-SECBINFHSA-N 0 0 201.335 2.097 10 30 BEEERN Cc1cc(C#N)cc(C)c1OCc1ccn(C)n1 ZINC000211634566 187294999 /nfs/dbraw/zinc/29/49/99/187294999.db2.gz TYRKXLBNIGVHMJ-UHFFFAOYSA-N 0 0 241.294 2.488 10 30 BEEERN Cc1cnc([C@H](C)Nc2ccc(C#N)nc2)o1 ZINC000235517022 344928744 /nfs/dbraw/zinc/92/87/44/344928744.db2.gz PRRARDJYMZDERS-VIFPVBQESA-N 0 0 228.255 2.423 10 30 BEEERN N#C[C@@H](NCc1ccccc1)[C@@H]1CCSC1 ZINC000224560060 344944181 /nfs/dbraw/zinc/94/41/81/344944181.db2.gz ZXZKUWKYBICZIS-CHWSQXEVSA-N 0 0 232.352 2.421 10 30 BEEERN COc1cc(Br)cc(CC#N)c1N ZINC000238452818 345052187 /nfs/dbraw/zinc/05/21/87/345052187.db2.gz GKKYSVVHHJQLTH-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN N#CCc1cnccc1OC(F)(F)F ZINC000238539048 345072789 /nfs/dbraw/zinc/07/27/89/345072789.db2.gz QFDBPECFLPAGBO-UHFFFAOYSA-N 0 0 202.135 2.046 10 30 BEEERN Cc1ccc(O[C@H](C)C(=O)/C=C\N(C)C)cc1 ZINC000033916639 178819042 /nfs/dbraw/zinc/81/90/42/178819042.db2.gz JPRORLRLNDTXLH-ZWLSGLHFSA-N 0 0 233.311 2.407 10 30 BEEERN CCCSCC(=O)NC1(C#N)CCCC1 ZINC000124834662 345055024 /nfs/dbraw/zinc/05/50/24/345055024.db2.gz RPPWPUNGOQPBFJ-UHFFFAOYSA-N 0 0 226.345 2.082 10 30 BEEERN N#Cc1cccc(OC(F)(F)F)c1N ZINC000238591513 345088476 /nfs/dbraw/zinc/08/84/76/345088476.db2.gz ASESJAODYRLUSU-UHFFFAOYSA-N 0 0 202.135 2.039 10 30 BEEERN N#Cc1cc(CF)c(OC(F)(F)F)cn1 ZINC000238689199 345112852 /nfs/dbraw/zinc/11/28/52/345112852.db2.gz BKLMREGKJDFNAH-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN Cc1ccc([C@@H](C#N)NC[C@@H]2CCCO2)cc1 ZINC000037940044 178831354 /nfs/dbraw/zinc/83/13/54/178831354.db2.gz LTBBSMOVXCPJPI-UONOGXRCSA-N 0 0 230.311 2.328 10 30 BEEERN N#Cc1cnc(Cl)c(OC(F)F)c1 ZINC000307178651 345131561 /nfs/dbraw/zinc/13/15/61/345131561.db2.gz KOFWQLSFWRKOJQ-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN CC#CCC(=O)[C@@H]1SCCS[C@@H]1C ZINC000228079631 345295173 /nfs/dbraw/zinc/29/51/73/345295173.db2.gz ZRGHOADDWALQDU-PSASIEDQSA-N 0 0 214.355 2.206 10 30 BEEERN C#Cc1nc(-c2ccccc2)nc(Cl)c1N ZINC000139954892 345311789 /nfs/dbraw/zinc/31/17/89/345311789.db2.gz YITHLRIMZSNGCH-UHFFFAOYSA-N 0 0 229.670 2.361 10 30 BEEERN N#CC1(C(=O)N2C[C@H]3CCCCC[C@@H]32)CCC1 ZINC000378070782 345360424 /nfs/dbraw/zinc/36/04/24/345360424.db2.gz BGSKQHCTPHTWMU-NEPJUHHUSA-N 0 0 232.327 2.471 10 30 BEEERN C=C(Cl)CNc1cc(Br)ncn1 ZINC000229315069 345499823 /nfs/dbraw/zinc/49/98/23/345499823.db2.gz OFHWAYWZLZWBKB-UHFFFAOYSA-N 0 0 248.511 2.404 10 30 BEEERN O=C1C=C(C(F)(F)F)C(=O)C=C1C(F)(F)F ZINC000136728685 345540332 /nfs/dbraw/zinc/54/03/32/345540332.db2.gz VHJUTWTZOBGQHZ-UHFFFAOYSA-N 0 0 244.090 2.116 10 30 BEEERN N#Cc1ccc(F)c([N+](=O)[O-])c1Br ZINC000307390493 345512024 /nfs/dbraw/zinc/51/20/24/345512024.db2.gz SRJOQFMTMDAAOW-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN CC(C)(C#N)N1CC[C@]2(C1)OCc1ccccc12 ZINC000336136597 534998964 /nfs/dbraw/zinc/99/89/64/534998964.db2.gz BUFYHIJLCLVRSX-OAHLLOKOSA-N 0 0 242.322 2.420 10 30 BEEERN C/C=C/C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000137330044 345608195 /nfs/dbraw/zinc/60/81/95/345608195.db2.gz PSJZSYKVSCKDLS-AATRIKPKSA-N 0 0 236.267 2.471 10 30 BEEERN CCO/C=C1/CCc2cccnc2C1=O ZINC000716158520 537899272 /nfs/dbraw/zinc/89/92/72/537899272.db2.gz HPUIBZNCAKPMNW-NTMALXAHSA-N 0 0 203.241 2.131 10 30 BEEERN CC(C)(C)S(=O)(=O)/N=C/c1ccccc1 ZINC000215841047 349934542 /nfs/dbraw/zinc/93/45/42/349934542.db2.gz OBSJOLUBCZNVAD-FMIVXFBMSA-N 0 0 225.313 2.234 10 30 BEEERN N#Cc1cccnc1-n1cc(C(F)(F)F)cn1 ZINC000070466580 345738769 /nfs/dbraw/zinc/73/87/69/345738769.db2.gz BZYKJYYVXAMXMP-UHFFFAOYSA-N 0 0 238.172 2.158 10 30 BEEERN CC(=O)c1ccc(C#CCCCO)cc1 ZINC000139114257 345807708 /nfs/dbraw/zinc/80/77/08/345807708.db2.gz ZKGHSQCQLAVFIQ-UHFFFAOYSA-N 0 0 202.253 2.013 10 30 BEEERN N#Cc1cc2c(ccnc2-c2ccncc2)[nH]c1=O ZINC000034218745 345819633 /nfs/dbraw/zinc/81/96/33/345819633.db2.gz QEUIWTPIDFBRFS-UHFFFAOYSA-N 0 0 248.245 2.269 10 30 BEEERN CC[C@@H](Nc1cnc(C#N)cn1)C(C)C ZINC000070581304 345784024 /nfs/dbraw/zinc/78/40/24/345784024.db2.gz ZCDNIFYRFSXFQQ-SNVBAGLBSA-N 0 0 204.277 2.195 10 30 BEEERN Cc1cccc(F)c1NC(=O)CCS ZINC000235759799 345844831 /nfs/dbraw/zinc/84/48/31/345844831.db2.gz WRZOETXURXQUQR-UHFFFAOYSA-N 0 0 213.277 2.393 10 30 BEEERN CC(C)(CO)CC1=CC(=O)c2ccccc2C1=O ZINC000140432791 345854830 /nfs/dbraw/zinc/85/48/30/345854830.db2.gz BUHXHIJZKFSBHP-UHFFFAOYSA-N 0 0 244.290 2.401 10 30 BEEERN CCOc1cc([C@@H](N)C#N)ccc1OC(C)C ZINC000140878434 345858442 /nfs/dbraw/zinc/85/84/42/345858442.db2.gz XDMRJEUOKHVSBL-NSHDSACASA-N 0 0 234.299 2.396 10 30 BEEERN COc1ccc([C@H](O)C#Cc2cccnc2)cc1 ZINC000034409466 345827033 /nfs/dbraw/zinc/82/70/33/345827033.db2.gz BEGDHVSBKLVYDA-OAHLLOKOSA-N 0 0 239.274 2.175 10 30 BEEERN CC1(C)C(=O)c2ccc(C#N)cc2[C@H]2O[C@H]21 ZINC000034412574 345827685 /nfs/dbraw/zinc/82/76/85/345827685.db2.gz HUTDXSZZYGKSHK-ZYHUDNBSSA-N 0 0 213.236 2.221 10 30 BEEERN CC1(C)C(=O)c2ccc(C#N)cc2[C@@H]2O[C@@H]21 ZINC000034412573 345827786 /nfs/dbraw/zinc/82/77/86/345827786.db2.gz HUTDXSZZYGKSHK-JQWIXIFHSA-N 0 0 213.236 2.221 10 30 BEEERN CCCCC[C@@H](O)C#CBr ZINC000034546176 345831595 /nfs/dbraw/zinc/83/15/95/345831595.db2.gz CTUJNCGPJWAYDW-MRVPVSSYSA-N 0 0 205.095 2.283 10 30 BEEERN C[C@H](CO)CNc1ccc2c(C#N)nccc2c1 ZINC000143443336 345901561 /nfs/dbraw/zinc/90/15/61/345901561.db2.gz GFXUJYJYWLBARP-JTQLQIEISA-N 0 0 241.294 2.147 10 30 BEEERN N#C[C@]1(N)CCSC2(CCCCC2)C1 ZINC000082374005 187314713 /nfs/dbraw/zinc/31/47/13/187314713.db2.gz MKQLONLLKSHKFF-JTQLQIEISA-N 0 0 210.346 2.437 10 30 BEEERN N#C[C@@H](N)c1ccc(OC(F)(F)F)c(F)c1 ZINC000095667047 346080708 /nfs/dbraw/zinc/08/07/08/346080708.db2.gz LSJBYRRKBIAXLW-SSDOTTSWSA-N 0 0 234.152 2.248 10 30 BEEERN CCOC(=O)C[C@@H](C#N)c1ccccc1 ZINC000037624962 323107800 /nfs/dbraw/zinc/10/78/00/323107800.db2.gz HJKJXWMIISKYGB-NSHDSACASA-N 0 0 203.241 2.247 10 30 BEEERN COc1ccccc1Nc1ccc(N)c(C#N)n1 ZINC000034417344 346268020 /nfs/dbraw/zinc/26/80/20/346268020.db2.gz ZNXWAAGSWINHDE-UHFFFAOYSA-N 0 0 240.266 2.288 10 30 BEEERN Cc1nnc(S[C@H]2CCC[C@H]2C#N)o1 ZINC000051038098 346298518 /nfs/dbraw/zinc/29/85/18/346298518.db2.gz FGFYHFUJCFHFGG-YUMQZZPRSA-N 0 0 209.274 2.162 10 30 BEEERN N#CCCCc1nc(CC2CCC2)no1 ZINC000291151794 346289875 /nfs/dbraw/zinc/28/98/75/346289875.db2.gz ZOTCNSCLFRORDA-UHFFFAOYSA-N 0 0 205.261 2.258 10 30 BEEERN C=CC[C@@H](C)n1cc(Br)c(N)n1 ZINC000715024889 537968150 /nfs/dbraw/zinc/96/81/50/537968150.db2.gz VAEOSWRGXRJZDD-ZCFIWIBFSA-N 0 0 230.109 2.365 10 30 BEEERN N#Cc1c(F)c(F)ccc1OC(F)F ZINC000026522316 187320352 /nfs/dbraw/zinc/32/03/52/187320352.db2.gz JQYOTZFFEMCLFV-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN Cc1nc(C#N)sc1-c1cccnc1 ZINC000669379223 537976601 /nfs/dbraw/zinc/97/66/01/537976601.db2.gz AKECLUVNASVUEU-UHFFFAOYSA-N 0 0 201.254 2.385 10 30 BEEERN C[C@H](CC#N)N(C)C(=O)[C@H]1CCC[C@H]1C ZINC000300240763 346423929 /nfs/dbraw/zinc/42/39/29/346423929.db2.gz WKDOTHZPAIODSD-MXWKQRLJSA-N 0 0 208.305 2.183 10 30 BEEERN Cc1ccc(C(=O)C2=COCCC2)cn1 ZINC000161910230 346502706 /nfs/dbraw/zinc/50/27/06/346502706.db2.gz QGWJFYJMVBHGRJ-UHFFFAOYSA-N 0 0 203.241 2.267 10 30 BEEERN COC[C@@H](C)C(=O)N(CCC#N)CC(C)(C)C ZINC000104628270 346542346 /nfs/dbraw/zinc/54/23/46/346542346.db2.gz RLSARXLSASGSCL-LLVKDONJSA-N 0 0 240.347 2.057 10 30 BEEERN COC[C@H](C)C(=O)N(CCC#N)CC(C)(C)C ZINC000104628265 346542462 /nfs/dbraw/zinc/54/24/62/346542462.db2.gz RLSARXLSASGSCL-NSHDSACASA-N 0 0 240.347 2.057 10 30 BEEERN Cc1cccc(N2C[C@H](C#N)CC2=O)c1C ZINC000011894183 179123622 /nfs/dbraw/zinc/12/36/22/179123622.db2.gz HXJVTNSXGIDSHO-NSHDSACASA-N 0 0 214.268 2.180 10 30 BEEERN Cc1cccc(NC(=O)CN(C)C[C@@H](C)C#N)c1 ZINC000042324797 179127302 /nfs/dbraw/zinc/12/73/02/179127302.db2.gz XFIFBOWXJBYXBY-LBPRGKRZSA-N 0 0 245.326 2.025 10 30 BEEERN Cc1cccc(NC(=O)[C@H](C#N)C(C)C)n1 ZINC000044813004 179139865 /nfs/dbraw/zinc/13/98/65/179139865.db2.gz YZOAEFIEKAKMCL-SNVBAGLBSA-N 0 0 217.272 2.124 10 30 BEEERN Cc1cccc(N[C@@H](C#N)[C@@H]2CCOC2)c1 ZINC000037936721 179151212 /nfs/dbraw/zinc/15/12/12/179151212.db2.gz CZXZZZZVCWBVMB-YPMHNXCESA-N 0 0 216.284 2.336 10 30 BEEERN Cc1cnc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)o1 ZINC000309579442 347108496 /nfs/dbraw/zinc/10/84/96/347108496.db2.gz PYQVZESFLQRENQ-GARJFASQSA-N 0 0 219.288 2.326 10 30 BEEERN Cc1cncc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000309703622 347144852 /nfs/dbraw/zinc/14/48/52/347144852.db2.gz NOIKFRVKPNVDEY-CHWSQXEVSA-N 0 0 215.300 2.172 10 30 BEEERN CCOC(=O)c1ccc2c(cnn2CCC#N)c1 ZINC000034483810 347150006 /nfs/dbraw/zinc/15/00/06/347150006.db2.gz STLCCOUHPUXGDU-UHFFFAOYSA-N 0 0 243.266 2.127 10 30 BEEERN Cc1cccc(SC[C@](C)(N)C#N)c1 ZINC000045220418 179177476 /nfs/dbraw/zinc/17/74/76/179177476.db2.gz NUKGENZIPMCEOI-LLVKDONJSA-N 0 0 206.314 2.328 10 30 BEEERN COC(=O)[C@@H]1O[C@]1(C)c1cc(C)cc(C)c1 ZINC000148687298 537988005 /nfs/dbraw/zinc/98/80/05/537988005.db2.gz PAKYOIJVTZBVCS-WCQYABFASA-N 0 0 220.268 2.090 10 30 BEEERN Cc1cccc2c(=O)cc(C)n(CC#N)c12 ZINC000040174211 179208590 /nfs/dbraw/zinc/20/85/90/179208590.db2.gz FNQQVSPGAILNPO-UHFFFAOYSA-N 0 0 212.252 2.142 10 30 BEEERN N#CC1(NC(=O)CCC2CC2)CCCC1 ZINC000115370719 136731939 /nfs/dbraw/zinc/73/19/39/136731939.db2.gz YROBMUGWRYZKGW-UHFFFAOYSA-N 0 0 206.289 2.129 10 30 BEEERN CN(Cc1cccnc1)[C@H]1CCC[C@@H]1C#N ZINC000036771270 347456025 /nfs/dbraw/zinc/45/60/25/347456025.db2.gz BOAVRSSRJUBWBV-OLZOCXBDSA-N 0 0 215.300 2.206 10 30 BEEERN CC1CC(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000590885873 347580263 /nfs/dbraw/zinc/58/02/63/347580263.db2.gz MOWXWSIQOJHISO-UHFFFAOYSA-N 0 0 246.285 2.360 10 30 BEEERN Cc1ccccc1N[C@]1(C#N)CN2CCC1CC2 ZINC000037938078 179307479 /nfs/dbraw/zinc/30/74/79/179307479.db2.gz MORPGIVCPPBSNI-OAHLLOKOSA-N 0 0 241.338 2.395 10 30 BEEERN N#Cc1ccccc1-c1nc(-c2cccnc2)n[nH]1 ZINC000196381126 347870921 /nfs/dbraw/zinc/87/09/21/347870921.db2.gz JKZAAWOHLYDGQX-UHFFFAOYSA-N 0 0 247.261 2.405 10 30 BEEERN N#Cc1ccc2c(c1Br)CC[C@@H]2O ZINC000216130136 349981465 /nfs/dbraw/zinc/98/14/65/349981465.db2.gz ZTMNMYJKPHAESR-VIFPVBQESA-N 0 0 238.084 2.300 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NCc1cncc(F)c1 ZINC000595695590 348306418 /nfs/dbraw/zinc/30/64/18/348306418.db2.gz WRZSWKPTWZXVCV-AAEUAGOBSA-N 0 0 233.290 2.393 10 30 BEEERN C[C@@H]1CCc2ccccc2N1C[C@H]1CO1 ZINC000251640300 362893654 /nfs/dbraw/zinc/89/36/54/362893654.db2.gz JDFGEJBRFVPDOK-PWSUYJOCSA-N 0 0 203.285 2.227 10 30 BEEERN CSC(=NC#N)N1C[C@@H](C)CC[C@@H]1C ZINC000251788279 362918508 /nfs/dbraw/zinc/91/85/08/362918508.db2.gz LLLXTALGFWDVNN-IUCAKERBSA-N 0 0 211.334 2.307 10 30 BEEERN Cc1ccc(C)c(-c2cc(C(=O)NO)no2)c1 ZINC000205268290 348480442 /nfs/dbraw/zinc/48/04/42/348480442.db2.gz MDJUIEIINNNNIM-UHFFFAOYSA-N 0 0 232.239 2.077 10 30 BEEERN Cc1ccncc1NC(=O)[C@H](C#N)C(C)C ZINC000070959449 179492744 /nfs/dbraw/zinc/49/27/44/179492744.db2.gz BZSZXTCNEHRXSZ-SNVBAGLBSA-N 0 0 217.272 2.124 10 30 BEEERN N#Cc1ccc(Cl)cc1NC1CC(CO)C1 ZINC000596567588 348580910 /nfs/dbraw/zinc/58/09/10/348580910.db2.gz JIULMCQFKCVMST-UHFFFAOYSA-N 0 0 236.702 2.394 10 30 BEEERN CCCc1nccnc1N1CC[C@](C)(C#N)C1 ZINC000596531689 348569152 /nfs/dbraw/zinc/56/91/52/348569152.db2.gz NGRQQMVFZAMGGG-CYBMUJFWSA-N 0 0 230.315 2.169 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NCc1cnc2n1CCC2 ZINC000597195586 348672523 /nfs/dbraw/zinc/67/25/23/348672523.db2.gz KQRVBHYKIHGQJQ-AAEUAGOBSA-N 0 0 244.342 2.001 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NCc1cnc2n1CCC2 ZINC000597195587 348672374 /nfs/dbraw/zinc/67/23/74/348672374.db2.gz KQRVBHYKIHGQJQ-DGCLKSJQSA-N 0 0 244.342 2.001 10 30 BEEERN Cc1cnn(CCCCCn2ccnc2C#N)c1 ZINC000124048941 179730538 /nfs/dbraw/zinc/73/05/38/179730538.db2.gz HNZZPCPBSIYXJO-UHFFFAOYSA-N 0 0 243.314 2.130 10 30 BEEERN Cc1cnn(CCNc2ccc(C#N)cc2F)c1 ZINC000108948938 179740396 /nfs/dbraw/zinc/74/03/96/179740396.db2.gz JECCBNGNFWEYKY-UHFFFAOYSA-N 0 0 244.273 2.314 10 30 BEEERN C=C(C)C(=O)NCc1c(C)ccc(N)c1C ZINC000616572733 349062874 /nfs/dbraw/zinc/06/28/74/349062874.db2.gz OGOSCEUMNMRITM-UHFFFAOYSA-N 0 0 218.300 2.078 10 30 BEEERN Cn1ccc(COc2ccc(C#N)c(F)c2)n1 ZINC000213153715 362943396 /nfs/dbraw/zinc/94/33/96/362943396.db2.gz FPURSIIEEMQPKX-UHFFFAOYSA-N 0 0 231.230 2.010 10 30 BEEERN N#Cc1ccc(OC(F)(F)F)cc1C#N ZINC000616580714 349259040 /nfs/dbraw/zinc/25/90/40/349259040.db2.gz BTTHFVHHXUBZPU-UHFFFAOYSA-N 0 0 212.130 2.329 10 30 BEEERN O[C@@H](CC#Cc1ccsc1)C(F)(F)F ZINC000616581064 349260906 /nfs/dbraw/zinc/26/09/06/349260906.db2.gz CMTNIDUDVFERPB-QMMMGPOBSA-N 0 0 220.215 2.413 10 30 BEEERN O[C@@H](CC#Cc1cccs1)C(F)(F)F ZINC000616581311 349263483 /nfs/dbraw/zinc/26/34/83/349263483.db2.gz NCCRUVAUXGPVMR-QMMMGPOBSA-N 0 0 220.215 2.413 10 30 BEEERN Cc1noc(C)c1CN[C@@H]1CCCC[C@H]1C#N ZINC000092339552 362945550 /nfs/dbraw/zinc/94/55/50/362945550.db2.gz PKJWUFBFJLYCNU-WCQYABFASA-N 0 0 233.315 2.463 10 30 BEEERN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C#N ZINC000068592074 191002358 /nfs/dbraw/zinc/00/23/58/191002358.db2.gz DFZYOAIWAGMKET-BDAKNGLRSA-N 0 0 240.303 2.270 10 30 BEEERN O=CC[C@H](O)c1ccc(Br)s1 ZINC000159360455 350064438 /nfs/dbraw/zinc/06/44/38/350064438.db2.gz NOMHDLMCJYSWHO-YFKPBYRVSA-N 0 0 235.102 2.133 10 30 BEEERN CC(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000022203527 350086591 /nfs/dbraw/zinc/08/65/91/350086591.db2.gz GQZPEGIPCXWRKR-UHFFFAOYSA-N 0 0 202.253 2.012 10 30 BEEERN O=CCc1ccc(OCc2ccncc2)cc1 ZINC000038976227 350114051 /nfs/dbraw/zinc/11/40/51/350114051.db2.gz OZLWPLFECBFSCZ-UHFFFAOYSA-N 0 0 227.263 2.402 10 30 BEEERN N#CCCCCc1ncnc2[nH]ccc21 ZINC000089223831 191021131 /nfs/dbraw/zinc/02/11/31/191021131.db2.gz HRZCNSLREGJAPU-UHFFFAOYSA-N 0 0 200.245 2.194 10 30 BEEERN O=CC[C@H](O)c1sccc1Br ZINC000159416569 350126295 /nfs/dbraw/zinc/12/62/95/350126295.db2.gz SNLQLUOTVCOCGJ-LURJTMIESA-N 0 0 235.102 2.133 10 30 BEEERN COC1=CC(=C2Nc3ccccc3O2)C=CC1=O ZINC000139983024 350134055 /nfs/dbraw/zinc/13/40/55/350134055.db2.gz HUFRUTBVJIGDLI-NTEUORMPSA-N 0 0 241.246 2.372 10 30 BEEERN Cc1nc2ccc(Cl)cn2c1CC#N ZINC000031921843 180091896 /nfs/dbraw/zinc/09/18/96/180091896.db2.gz MSVMGJGWKFYVAR-UHFFFAOYSA-N 0 0 205.648 2.362 10 30 BEEERN Cc1nc2cccc(Cl)n2c1CC#N ZINC000074375380 180099836 /nfs/dbraw/zinc/09/98/36/180099836.db2.gz IHJHXQKFOKYUGF-UHFFFAOYSA-N 0 0 205.648 2.362 10 30 BEEERN CCOc1cc(C#N)ccc1O[C@@H](C)[C@@H](C)O ZINC000094654059 191049081 /nfs/dbraw/zinc/04/90/81/191049081.db2.gz OMAOYRYVFRODKS-ZJUUUORDSA-N 0 0 235.283 2.105 10 30 BEEERN Cc1csc2nc(C)c(CNCCC#N)n12 ZINC000037240195 180117536 /nfs/dbraw/zinc/11/75/36/180117536.db2.gz DWKKUGZJFHLHRZ-UHFFFAOYSA-N 0 0 234.328 2.016 10 30 BEEERN Cc1nc[nH]c1CNc1ccccc1C#N ZINC000054793796 180122175 /nfs/dbraw/zinc/12/21/75/180122175.db2.gz AFYMRXKXGKHPFB-UHFFFAOYSA-N 0 0 212.256 2.202 10 30 BEEERN Cc1ncc(CN[C@@H]2CCC[C@@H]2C#N)s1 ZINC000054826237 180155964 /nfs/dbraw/zinc/15/59/64/180155964.db2.gz KAENCNFYJAMKCJ-MWLCHTKSSA-N 0 0 221.329 2.233 10 30 BEEERN Cc1ncc(Cn2c(C)c(C)c(C#N)c2N)s1 ZINC000049534569 180161910 /nfs/dbraw/zinc/16/19/10/180161910.db2.gz BVUBKNXLUCVOGH-UHFFFAOYSA-N 0 0 246.339 2.372 10 30 BEEERN NC(Cc1c(F)ccc2ccccc21)=NO ZINC000309218682 350203050 /nfs/dbraw/zinc/20/30/50/350203050.db2.gz WRKGJKARLFSKIM-UHFFFAOYSA-N 0 0 218.231 2.268 10 30 BEEERN Cc1nc(C#N)sc1-c1nccs1 ZINC000148656463 538077636 /nfs/dbraw/zinc/07/76/36/538077636.db2.gz AUAWURWWIHJEOE-UHFFFAOYSA-N 0 0 207.283 2.447 10 30 BEEERN CCCOc1ccc(/C=C/C(=O)NO)cc1C ZINC000005298817 350254808 /nfs/dbraw/zinc/25/48/08/350254808.db2.gz PHNSAMVICKDQJR-FNORWQNLSA-N 0 0 235.283 2.302 10 30 BEEERN CC(C)(C)[S@@](=O)/N=C/c1ccc(C#N)cc1 ZINC000309290756 350256117 /nfs/dbraw/zinc/25/61/17/350256117.db2.gz OJTOIYQCINWNKT-SCZPIIQISA-N 0 0 234.324 2.439 10 30 BEEERN CSCC[C@@H](C#N)NCc1ccccc1 ZINC000037939496 350292851 /nfs/dbraw/zinc/29/28/51/350292851.db2.gz DIKVAIQLQPPZMH-LBPRGKRZSA-N 0 0 220.341 2.421 10 30 BEEERN Cc1nn(-c2ccc(C#N)cc2)c(N)c1Cl ZINC000043665002 180327440 /nfs/dbraw/zinc/32/74/40/180327440.db2.gz DHPKJZPTPUTZKJ-UHFFFAOYSA-N 0 0 232.674 2.288 10 30 BEEERN C=C[C@@H](N[C@@H](C)c1ccccc1C)C(=O)OC ZINC000304208941 350407181 /nfs/dbraw/zinc/40/71/81/350407181.db2.gz LMUIWYWBXCMPSN-WCQYABFASA-N 0 0 233.311 2.373 10 30 BEEERN Cc1nn(-c2ncccc2C#N)c(C)c1C ZINC000040729905 180332588 /nfs/dbraw/zinc/33/25/88/180332588.db2.gz DMIIMXMWKINDHY-UHFFFAOYSA-N 0 0 212.256 2.064 10 30 BEEERN C=C[C@H](N[C@@H](C)c1ccccc1C)C(=O)OC ZINC000304208936 350407275 /nfs/dbraw/zinc/40/72/75/350407275.db2.gz LMUIWYWBXCMPSN-AAEUAGOBSA-N 0 0 233.311 2.373 10 30 BEEERN Cc1nn(C)c(N(CC2CC2)C(C)C)c1C#N ZINC000104319200 180353468 /nfs/dbraw/zinc/35/34/68/180353468.db2.gz VJMDWTQAZAOERV-UHFFFAOYSA-N 0 0 232.331 2.225 10 30 BEEERN Cc1nn(C)c(Sc2ccccc2N)c1C#N ZINC000104321862 180361651 /nfs/dbraw/zinc/36/16/51/180361651.db2.gz OEIBRAIRUBMFGA-UHFFFAOYSA-N 0 0 244.323 2.334 10 30 BEEERN Cc1nn(C)c(Oc2ccccc2)c1C#N ZINC000000048694 180361076 /nfs/dbraw/zinc/36/10/76/180361076.db2.gz TUJIEKJXBCEFOX-UHFFFAOYSA-N 0 0 213.240 2.393 10 30 BEEERN N#CCc1cn(CC#N)nc1-c1ccccc1 ZINC000409437290 350480285 /nfs/dbraw/zinc/48/02/85/350480285.db2.gz FSRAEODISFTDFP-UHFFFAOYSA-N 0 0 222.251 2.140 10 30 BEEERN N#Cc1cnccc1N[C@H]1CCC[C@H]1C#N ZINC000309498853 350614248 /nfs/dbraw/zinc/61/42/48/350614248.db2.gz KZPLBGDISSRYKO-ONGXEEELSA-N 0 0 212.256 2.057 10 30 BEEERN C#CCN[C@H](C#N)c1ccc(Br)cc1 ZINC000051962846 350829362 /nfs/dbraw/zinc/82/93/62/350829362.db2.gz IWGABXPVGFXHOG-LLVKDONJSA-N 0 0 249.111 2.237 10 30 BEEERN C[C@H](C#N)CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247461943 350847442 /nfs/dbraw/zinc/84/74/42/350847442.db2.gz RBOBMUVXOKOZSA-KGYLQXTDSA-N 0 0 234.343 2.479 10 30 BEEERN C=C(c1ncnc(N)c1Cl)C(F)(F)F ZINC000306706622 350853967 /nfs/dbraw/zinc/85/39/67/350853967.db2.gz LYZWQWSRVQDBGG-UHFFFAOYSA-N 0 0 223.585 2.288 10 30 BEEERN C=C(Br)CNC(=O)Nc1ccco1 ZINC000306707221 350855321 /nfs/dbraw/zinc/85/53/21/350855321.db2.gz JNCWYEBKDUPHHE-UHFFFAOYSA-N 0 0 245.076 2.310 10 30 BEEERN N#CC#Cc1ccccc1Br ZINC000106885927 350855362 /nfs/dbraw/zinc/85/53/62/350855362.db2.gz POIGWCGICDBEMK-UHFFFAOYSA-N 0 0 206.042 2.324 10 30 BEEERN CCCCCCCC(C(=O)OC)C(=O)OC ZINC000002551657 168648460 /nfs/dbraw/zinc/64/84/60/168648460.db2.gz UPVFLKZRQSPLQQ-UHFFFAOYSA-N 0 0 230.304 2.309 10 30 BEEERN COC(=O)C#Cc1ccc(CSC)cc1 ZINC000306711604 350871871 /nfs/dbraw/zinc/87/18/71/350871871.db2.gz SGGUWWQUQDPFFJ-UHFFFAOYSA-N 0 0 220.293 2.074 10 30 BEEERN O=C[C@]1(Cc2nccs2)CCCS1 ZINC000306724144 350891822 /nfs/dbraw/zinc/89/18/22/350891822.db2.gz IDUPYGBPDSCMJJ-SECBINFHSA-N 0 0 213.327 2.150 10 30 BEEERN N#Cc1cc(N)c(C(F)(F)F)c(F)c1 ZINC000306724616 350893693 /nfs/dbraw/zinc/89/36/93/350893693.db2.gz VBJWMXJAQHTFOQ-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN COC(=O)c1c(C)cc(Cl)cc1C#N ZINC000306725336 350894974 /nfs/dbraw/zinc/89/49/74/350894974.db2.gz WZAPFAKADAXEHM-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C#Cc1nc2c(Br)cccn2c1C ZINC000159735774 350989703 /nfs/dbraw/zinc/98/97/03/350989703.db2.gz OARQXLPBZQHQCX-UHFFFAOYSA-N 0 0 235.084 2.387 10 30 BEEERN Cc1nc(CN[C@@H]2CCCC[C@@H]2C#N)oc1C ZINC000231654433 351035373 /nfs/dbraw/zinc/03/53/73/351035373.db2.gz NQJMIQXCDXKIRL-VXGBXAGGSA-N 0 0 233.315 2.463 10 30 BEEERN COC(=O)c1ccc(Cl)c(F)c1C#N ZINC000306792845 351043381 /nfs/dbraw/zinc/04/33/81/351043381.db2.gz AWIZXEVHROZXDK-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN CC(=O)N1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000616621533 351043629 /nfs/dbraw/zinc/04/36/29/351043629.db2.gz RLWPXAJHFMVYMT-AWEZNQCLSA-N 0 0 228.295 2.284 10 30 BEEERN C=CCSc1nc2cc(N)ccc2[nH]1 ZINC000159844558 351012975 /nfs/dbraw/zinc/01/29/75/351012975.db2.gz AIQCRBVAOACBJQ-UHFFFAOYSA-N 0 0 205.286 2.423 10 30 BEEERN CC(=O)N1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616634067 351116369 /nfs/dbraw/zinc/11/63/69/351116369.db2.gz PINCDRSWAZDIKP-CYBMUJFWSA-N 0 0 214.268 2.242 10 30 BEEERN C=C(Br)CN1CC[C@H](C)CC1=O ZINC000306820026 351090015 /nfs/dbraw/zinc/09/00/15/351090015.db2.gz IGERVPLBPMTODL-ZETCQYMHSA-N 0 0 232.121 2.154 10 30 BEEERN N#Cc1ccccc1[C@H]1CCCN(C(N)=O)CC1 ZINC000616628511 351098722 /nfs/dbraw/zinc/09/87/22/351098722.db2.gz MFIFDLJFHIUHDJ-NSHDSACASA-N 0 0 243.310 2.206 10 30 BEEERN C#CCON=c1nc(Cl)[nH]c2ccsc21 ZINC000306843484 351157325 /nfs/dbraw/zinc/15/73/25/351157325.db2.gz CXCIMXDMOQGLLO-UHFFFAOYSA-N 0 0 239.687 2.321 10 30 BEEERN CC(C)N1CCO[C@H](c2ccccc2C#N)C1 ZINC000616646455 351171460 /nfs/dbraw/zinc/17/14/60/351171460.db2.gz HCXMVIDVNACBCQ-AWEZNQCLSA-N 0 0 230.311 2.340 10 30 BEEERN C[C@@H](CC#N)N(C)c1ncccc1Cl ZINC000063096285 351139439 /nfs/dbraw/zinc/13/94/39/351139439.db2.gz MYBNLMXCMOFECO-QMMMGPOBSA-N 0 0 209.680 2.473 10 30 BEEERN C#CCN(CC)c1ccncc1Br ZINC000159965800 351144821 /nfs/dbraw/zinc/14/48/21/351144821.db2.gz BKOLEXBZWCNNRE-UHFFFAOYSA-N 0 0 239.116 2.304 10 30 BEEERN N#C[C@]1(Cc2ccncc2)CCCS1 ZINC000306864648 351243854 /nfs/dbraw/zinc/24/38/54/351243854.db2.gz KUFZZWGFYMNFSX-LLVKDONJSA-N 0 0 204.298 2.413 10 30 BEEERN C=C(Cl)CNc1ccc(Cl)nn1 ZINC000168020135 351261506 /nfs/dbraw/zinc/26/15/06/351261506.db2.gz ARJYXZKQUUKVRU-UHFFFAOYSA-N 0 0 204.060 2.294 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000231744843 351287952 /nfs/dbraw/zinc/28/79/52/351287952.db2.gz FNYCVVJYKVJSDL-JTQLQIEISA-N 0 0 249.314 2.490 10 30 BEEERN N#Cc1c(F)ccc(OC(F)F)c1F ZINC000306899575 351310480 /nfs/dbraw/zinc/31/04/80/351310480.db2.gz KCKBSBCYWGSOTO-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN CCn1ncc(C2=CCCCC2=O)c1F ZINC000307056222 351456538 /nfs/dbraw/zinc/45/65/38/351456538.db2.gz BRJYFJGCTIRLMI-UHFFFAOYSA-N 0 0 208.236 2.179 10 30 BEEERN C[C@H](C#N)C(=O)c1coc(Br)c1 ZINC000306998401 351412340 /nfs/dbraw/zinc/41/23/40/351412340.db2.gz YEDGNDPLORWMMI-RXMQYKEDSA-N 0 0 228.045 2.384 10 30 BEEERN Cc1nc(C)c([C@H](C#N)NC2CC2)s1 ZINC000307003333 351413863 /nfs/dbraw/zinc/41/38/63/351413863.db2.gz CYEAUIJVHAIGAT-VIFPVBQESA-N 0 0 207.302 2.077 10 30 BEEERN Cc1cccc(CC2CC(C#N)(CO)C2)c1 ZINC000606302087 351552508 /nfs/dbraw/zinc/55/25/08/351552508.db2.gz AVHHRCKLUODPMF-UHFFFAOYSA-N 0 0 215.296 2.450 10 30 BEEERN Cc1ncc([C@H]2OCCC[C@@H]2C#N)s1 ZINC000307198574 351599679 /nfs/dbraw/zinc/59/96/79/351599679.db2.gz VMOVGCHDYJCRAI-SCZZXKLOSA-N 0 0 208.286 2.443 10 30 BEEERN Cc1ccc(CN[C@H]2CCC[C@@H]2C#N)nc1 ZINC000088135420 351624733 /nfs/dbraw/zinc/62/47/33/351624733.db2.gz WPSPVOXUBUMMLE-YPMHNXCESA-N 0 0 215.300 2.172 10 30 BEEERN CSC(=NC#N)Nc1cncc(C)c1 ZINC000232078029 351664301 /nfs/dbraw/zinc/66/43/01/351664301.db2.gz ALPXORGZYNNEKF-UHFFFAOYSA-N 0 0 206.274 2.002 10 30 BEEERN Cn1cc(CC#N)c(-c2cccs2)n1 ZINC000031887354 180636373 /nfs/dbraw/zinc/63/63/73/180636373.db2.gz QHKHESBVYXHRRL-UHFFFAOYSA-N 0 0 203.270 2.215 10 30 BEEERN CN1CCN([C@H]2C=CCCCCC2)C[C@H]1C#N ZINC000606432935 351745177 /nfs/dbraw/zinc/74/51/77/351745177.db2.gz SMIOSJVGBJETND-UONOGXRCSA-N 0 0 233.359 2.015 10 30 BEEERN N#Cc1ccc(OC(F)F)nc1Br ZINC000307271333 351824011 /nfs/dbraw/zinc/82/40/11/351824011.db2.gz BRJYCUYKQSUYCH-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN Cn1cc(COc2cccc(F)c2C#N)cn1 ZINC000062614695 180653566 /nfs/dbraw/zinc/65/35/66/180653566.db2.gz MNROQELXCQCOAJ-UHFFFAOYSA-N 0 0 231.230 2.010 10 30 BEEERN CC[C@H](S)C(=O)N1CCS[C@@H](C)CC1 ZINC000307311554 351987439 /nfs/dbraw/zinc/98/74/39/351987439.db2.gz ALQKEOJQAPONMA-IUCAKERBSA-N 0 0 233.402 2.049 10 30 BEEERN Cn1cc([C@@H](C#N)Nc2ccccc2)cn1 ZINC000037935397 180664168 /nfs/dbraw/zinc/66/41/68/180664168.db2.gz CVKZSRVUNNPLOG-GFCCVEGCSA-N 0 0 212.256 2.097 10 30 BEEERN C=C=CC(=O)c1nscc1Br ZINC000404735039 351994754 /nfs/dbraw/zinc/99/47/54/351994754.db2.gz DWLAQLDPMSLGBG-UHFFFAOYSA-N 0 0 230.086 2.112 10 30 BEEERN COC(=O)c1cc(C#N)cc(F)c1Cl ZINC000307324208 352019986 /nfs/dbraw/zinc/01/99/86/352019986.db2.gz DLUQRBXYFJLELG-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN N#CCc1cnc2nc(Cl)sc2c1 ZINC000089229356 187626091 /nfs/dbraw/zinc/62/60/91/187626091.db2.gz LEKTXMKIYCMDKR-UHFFFAOYSA-N 0 0 209.661 2.411 10 30 BEEERN CC(C)C[C@@H](C)Nc1nccnc1C#N ZINC000054377240 187662908 /nfs/dbraw/zinc/66/29/08/187662908.db2.gz XKBHOKRQDLANOG-SECBINFHSA-N 0 0 204.277 2.195 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000044765708 352393138 /nfs/dbraw/zinc/39/31/38/352393138.db2.gz BRDSESPQYDBNRT-QWRGUYRKSA-N 0 0 238.331 2.000 10 30 BEEERN C[C@H](C#N)Nc1cnn(Cc2ccccc2)c1 ZINC000307371645 352469083 /nfs/dbraw/zinc/46/90/83/352469083.db2.gz QFTWVAADGHOIDN-LLVKDONJSA-N 0 0 226.283 2.255 10 30 BEEERN CCc1nccn1-c1nc(Cl)c(C#N)s1 ZINC000307410637 352587023 /nfs/dbraw/zinc/58/70/23/352587023.db2.gz QPNJRROSMYSGAZ-UHFFFAOYSA-N 0 0 238.703 2.416 10 30 BEEERN C[C@]1(c2ccccc2F)CC[C@H](C=O)O1 ZINC000307410715 352587129 /nfs/dbraw/zinc/58/71/29/352587129.db2.gz FPDYENQTORJGCU-BXKDBHETSA-N 0 0 208.232 2.419 10 30 BEEERN C[C@]1(c2ccccc2F)CC[C@@H](C=O)O1 ZINC000307410719 352587146 /nfs/dbraw/zinc/58/71/46/352587146.db2.gz FPDYENQTORJGCU-JOYOIKCWSA-N 0 0 208.232 2.419 10 30 BEEERN C[C@@]1(c2ccccc2F)CC[C@H](C=O)O1 ZINC000307410720 352587588 /nfs/dbraw/zinc/58/75/88/352587588.db2.gz FPDYENQTORJGCU-SKDRFNHKSA-N 0 0 208.232 2.419 10 30 BEEERN C#C[C@H](NC)c1cscc1Br ZINC000404833542 352588304 /nfs/dbraw/zinc/58/83/04/352588304.db2.gz YXQSHBRWODTEHQ-QMMMGPOBSA-N 0 0 230.130 2.404 10 30 BEEERN N#Cc1nc(Cl)ccc1OC(F)F ZINC000307418977 352592102 /nfs/dbraw/zinc/59/21/02/352592102.db2.gz MKPFKBDIHNQFGM-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN CC(C)=CC(=O)c1cnn(C)c1Br ZINC000307481206 352620836 /nfs/dbraw/zinc/62/08/36/352620836.db2.gz HJGRKGLHZIRMGL-UHFFFAOYSA-N 0 0 243.104 2.332 10 30 BEEERN N#C[C@]1(Br)COc2ccccc2C1 ZINC000307494195 352624960 /nfs/dbraw/zinc/62/49/60/352624960.db2.gz QZBNKJJEFAFXOO-JTQLQIEISA-N 0 0 238.084 2.279 10 30 BEEERN C=CC(=O)[C@H]1CCOC2(CCSCC2)C1 ZINC000232450855 352674238 /nfs/dbraw/zinc/67/42/38/352674238.db2.gz WDEHQIBDBRHKHW-JTQLQIEISA-N 0 0 226.341 2.434 10 30 BEEERN CC(C)OCCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000336745481 352731462 /nfs/dbraw/zinc/73/14/62/352731462.db2.gz BDCPWTMOZWEOBU-RYUDHWBXSA-N 0 0 210.321 2.083 10 30 BEEERN C=CC[C@@H](C)NC(=O)NCc1cccc(C)n1 ZINC000116946403 323892336 /nfs/dbraw/zinc/89/23/36/323892336.db2.gz NZOZVZWKLAEBFO-SNVBAGLBSA-N 0 0 233.315 2.154 10 30 BEEERN N#Cc1cc(Br)nc(OC(F)F)c1 ZINC000307652936 352742845 /nfs/dbraw/zinc/74/28/45/352742845.db2.gz ORCNQWLZPWCZSM-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN C[C@@]1(Cc2ccccc2)CC[C@H](C=O)O1 ZINC000307680635 352756552 /nfs/dbraw/zinc/75/65/52/352756552.db2.gz OTFWZHZVFRDELI-OLZOCXBDSA-N 0 0 204.269 2.366 10 30 BEEERN C#CCOc1nc(Cl)nc2ccccc21 ZINC000052811333 352986823 /nfs/dbraw/zinc/98/68/23/352986823.db2.gz CODOTOYOLQAVAJ-UHFFFAOYSA-N 0 0 218.643 2.295 10 30 BEEERN O=C(CS)N1CCCCCCCC1 ZINC000306466544 353016717 /nfs/dbraw/zinc/01/67/17/353016717.db2.gz GLXBSCPGWBEOLC-UHFFFAOYSA-N 0 0 201.335 2.099 10 30 BEEERN C#CC(C)(C)Nc1cc(Br)ncn1 ZINC000229303138 353034977 /nfs/dbraw/zinc/03/49/77/353034977.db2.gz XDLYHMAPTQMBIA-UHFFFAOYSA-N 0 0 240.104 2.063 10 30 BEEERN C=C(Cl)CNc1nccnc1Cl ZINC000229315932 353109804 /nfs/dbraw/zinc/10/98/04/353109804.db2.gz FMYCDUSUACDJEP-UHFFFAOYSA-N 0 0 204.060 2.294 10 30 BEEERN C#C[C@@H](O)c1ncc(Cl)cc1Cl ZINC000307726775 353113365 /nfs/dbraw/zinc/11/33/65/353113365.db2.gz DHPMUTDMDPMICA-SSDOTTSWSA-N 0 0 202.040 2.055 10 30 BEEERN N#Cc1cc(Cl)ccc1-n1ccnc1 ZINC000052859780 353117667 /nfs/dbraw/zinc/11/76/67/353117667.db2.gz OGGVOMBBWVYMDZ-UHFFFAOYSA-N 0 0 203.632 2.397 10 30 BEEERN COc1cc(CC#N)c(F)c(F)c1F ZINC000307526284 353080632 /nfs/dbraw/zinc/08/06/32/353080632.db2.gz HTCPWGIUIJLNAZ-UHFFFAOYSA-N 0 0 201.147 2.179 10 30 BEEERN CC[C@@H](S)C(=O)N1CCSC(C)(C)C1 ZINC000307705527 353086268 /nfs/dbraw/zinc/08/62/68/353086268.db2.gz YMJIMTVWFXBQHF-MRVPVSSYSA-N 0 0 233.402 2.049 10 30 BEEERN C#Cc1cnccc1NC(=O)OC(C)(C)C ZINC000038284008 188007095 /nfs/dbraw/zinc/00/70/95/188007095.db2.gz DQJITDXLDRKGAY-UHFFFAOYSA-N 0 0 218.256 2.410 10 30 BEEERN CSC[C@@H](C)N(C)c1ncccc1C#N ZINC000122470032 188009294 /nfs/dbraw/zinc/00/92/94/188009294.db2.gz ZPOTUKFPDMMJHY-SECBINFHSA-N 0 0 221.329 2.141 10 30 BEEERN C#CC[C@@H](C)Nc1nc(Cl)ncc1F ZINC000229327317 353120714 /nfs/dbraw/zinc/12/07/14/353120714.db2.gz MVNDHGOEFCPGNK-ZCFIWIBFSA-N 0 0 213.643 2.093 10 30 BEEERN C#CC[C@@H](C)Nc1nc(Cl)ncc1C ZINC000229328126 353121248 /nfs/dbraw/zinc/12/12/48/353121248.db2.gz KCFFOWCXCFEZDP-MRVPVSSYSA-N 0 0 209.680 2.262 10 30 BEEERN N#C[C@@]1(C[C@H](O)C(F)(F)F)CCCS1 ZINC000307732264 353121331 /nfs/dbraw/zinc/12/13/31/353121331.db2.gz PDAYPWALUNQXPU-BQBZGAKWSA-N 0 0 225.235 2.089 10 30 BEEERN C#CCn1c(C)[nH+]c(CCc2ccccc2)c1N ZINC000103730198 188051886 /nfs/dbraw/zinc/05/18/86/188051886.db2.gz HUUAJBCVTBWRKA-UHFFFAOYSA-N 0 0 239.322 2.192 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@]12C[C@@H](C)[C@@H]2C ZINC000309012366 538110089 /nfs/dbraw/zinc/11/00/89/538110089.db2.gz XSQRNXQUWJROSV-QCZKYFFMSA-N 0 0 212.289 2.143 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000329870241 538110169 /nfs/dbraw/zinc/11/01/69/538110169.db2.gz BHXMDVMGPUBBSQ-YWVKMMECSA-N 0 0 232.283 2.371 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCc1cnccn1 ZINC000330002364 538113122 /nfs/dbraw/zinc/11/31/22/538113122.db2.gz AYXCDESTBBVZJT-CMPLNLGQSA-N 0 0 244.298 2.058 10 30 BEEERN CC(C)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000015361574 188236712 /nfs/dbraw/zinc/23/67/12/188236712.db2.gz DIAFGFJHLPTEPU-NSHDSACASA-N 0 0 246.310 2.098 10 30 BEEERN C#CCOc1ccc(Cl)cc1C[NH2+]C ZINC000037703359 188255282 /nfs/dbraw/zinc/25/52/82/188255282.db2.gz UAHJQUUHMQPQLB-UHFFFAOYSA-N 0 0 209.676 2.071 10 30 BEEERN CC(C)C[C@@H](C)N=C(NC#N)Nc1ccncc1 ZINC000013232483 188269436 /nfs/dbraw/zinc/26/94/36/188269436.db2.gz NYKRJTFZRXSWQR-LLVKDONJSA-N 0 0 245.330 2.355 10 30 BEEERN C=CC[C@H](O)c1coc2ccccc2c1=O ZINC000034583682 188271017 /nfs/dbraw/zinc/27/10/17/188271017.db2.gz SCYQEBJWBDMFIM-NSHDSACASA-N 0 0 216.236 2.403 10 30 BEEERN N#Cc1cnc(N)nc1-c1c[nH]c2ccccc12 ZINC000028646080 188271286 /nfs/dbraw/zinc/27/12/86/188271286.db2.gz JTESHWHFRHLIFD-UHFFFAOYSA-N 0 0 235.250 2.079 10 30 BEEERN C/C(=N\O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000019506156 188280459 /nfs/dbraw/zinc/28/04/59/188280459.db2.gz QKUDBRHQPITISC-CIYKKQNSSA-N 0 0 232.283 2.479 10 30 BEEERN CC(C)(C)c1cccc(OC[C@H](N)C#N)c1 ZINC000019665839 188281487 /nfs/dbraw/zinc/28/14/87/188281487.db2.gz WVTDSNMVKXQTPH-LLVKDONJSA-N 0 0 218.300 2.214 10 30 BEEERN C=CC[C@@](C)(C#N)NC(=O)OC(C)(C)C ZINC000038252090 188291266 /nfs/dbraw/zinc/29/12/66/188291266.db2.gz VTWHSHARNYSENI-NSHDSACASA-N 0 0 210.277 2.369 10 30 BEEERN COc1ccc(C(=O)C[C@@H](C)C#N)c(OC)c1 ZINC000043368266 188295711 /nfs/dbraw/zinc/29/57/11/188295711.db2.gz DKPUJOBWMZGLAH-SECBINFHSA-N 0 0 233.267 2.436 10 30 BEEERN N#Cc1cc(Sc2ncccc2N)ccn1 ZINC000061812843 188302253 /nfs/dbraw/zinc/30/22/53/188302253.db2.gz CWSIKLFPWCSICC-UHFFFAOYSA-N 0 0 228.280 2.082 10 30 BEEERN CC(C)C1=CC=N[C@@H](C#N)[C@@H]1OC1CC1 ZINC000095721725 188320554 /nfs/dbraw/zinc/32/05/54/188320554.db2.gz WQQKEPVYEWUJEM-NWDGAFQWSA-N 0 0 204.273 2.093 10 30 BEEERN N#Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000091978934 188318580 /nfs/dbraw/zinc/31/85/80/188318580.db2.gz SQVCGWBYPWWOBA-KBPBESRZSA-N 0 0 246.310 2.295 10 30 BEEERN Cc1cc(Br)c(C#N)cc1N ZINC000117056547 188327949 /nfs/dbraw/zinc/32/79/49/188327949.db2.gz LAHISTKZZXMECZ-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN N#Cc1cnc(NCCCCC(F)(F)F)cn1 ZINC000149432313 188335297 /nfs/dbraw/zinc/33/52/97/188335297.db2.gz HPTSDYGTJUDAOJ-UHFFFAOYSA-N 0 0 244.220 2.493 10 30 BEEERN Cc1nccn1-c1ccc(F)cc1C#N ZINC000104190646 188336770 /nfs/dbraw/zinc/33/67/70/188336770.db2.gz GSFQIVKYSSZAHU-UHFFFAOYSA-N 0 0 201.204 2.192 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000131947076 353375394 /nfs/dbraw/zinc/37/53/94/353375394.db2.gz DAMYEUHVSJBTNE-NSHDSACASA-N 0 0 247.342 2.254 10 30 BEEERN CC(C)[C@@H]1OCC[C@H]1CNc1cccc(C#N)n1 ZINC000267235217 188372996 /nfs/dbraw/zinc/37/29/96/188372996.db2.gz QSQVDRMZQJKAOH-FZMZJTMJSA-N 0 0 245.326 2.426 10 30 BEEERN Cc1cccc(C#Cc2cccc(N)c2)n1 ZINC000028367362 188358519 /nfs/dbraw/zinc/35/85/19/188358519.db2.gz FGJHYEVFDNXSSV-UHFFFAOYSA-N 0 0 208.264 2.372 10 30 BEEERN N#Cc1cnc(N2CC[C@H]3CCCC[C@H]32)cn1 ZINC000227977564 188360689 /nfs/dbraw/zinc/36/06/89/188360689.db2.gz PUQQHTIDADTODI-ZYHUDNBSSA-N 0 0 228.299 2.117 10 30 BEEERN C=C(Cl)CNc1ncncc1Br ZINC000133029573 353401931 /nfs/dbraw/zinc/40/19/31/353401931.db2.gz MXEUNYFYQMSMCJ-UHFFFAOYSA-N 0 0 248.511 2.404 10 30 BEEERN C#Cc1cccc(NC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000191655637 353502166 /nfs/dbraw/zinc/50/21/66/353502166.db2.gz LBWWCQLUHUHFNT-FZMZJTMJSA-N 0 0 243.306 2.422 10 30 BEEERN N#CCOc1cc(Cl)c(Cl)cc1N ZINC000231637768 353634773 /nfs/dbraw/zinc/63/47/73/353634773.db2.gz MMDBMVXCQMTIIB-UHFFFAOYSA-N 0 0 217.055 2.478 10 30 BEEERN CCCCCN[C@H](C#N)c1ccncc1 ZINC000019986628 168720406 /nfs/dbraw/zinc/72/04/06/168720406.db2.gz JAXBAPCJAUICKD-GFCCVEGCSA-N 0 0 203.289 2.426 10 30 BEEERN Fc1ccccc1-c1nnc(CS)o1 ZINC000057939102 181009323 /nfs/dbraw/zinc/00/93/23/181009323.db2.gz CNBJXMZGTIRBIA-UHFFFAOYSA-N 0 0 210.233 2.306 10 30 BEEERN C#CCC(=O)Nc1cnc(Cl)cc1C ZINC000300987315 363260751 /nfs/dbraw/zinc/26/07/51/363260751.db2.gz UEPHIWKBVCHCQK-UHFFFAOYSA-N 0 0 208.648 2.005 10 30 BEEERN Cc1cccc(COC2CC(C=O)C2)c1 ZINC000606302082 353857942 /nfs/dbraw/zinc/85/79/42/353857942.db2.gz ALKPHUZINAZNGG-UHFFFAOYSA-N 0 0 204.269 2.489 10 30 BEEERN N#CC1(NC(=O)c2ccc(F)cc2)CCCC1 ZINC000040215042 181030366 /nfs/dbraw/zinc/03/03/66/181030366.db2.gz ZEKZAJDJTJPXIU-UHFFFAOYSA-N 0 0 232.258 2.392 10 30 BEEERN N#CC(Cl)(Cl)[C@H](O)c1ccco1 ZINC000104834217 181027975 /nfs/dbraw/zinc/02/79/75/181027975.db2.gz RDJZMVDZRXXBFV-ZCFIWIBFSA-N 0 0 206.028 2.010 10 30 BEEERN N#CC1(C(=O)N2CCCC2)CCCCCC1 ZINC000044764493 181028026 /nfs/dbraw/zinc/02/80/26/181028026.db2.gz QVZZIZKYUPGDRY-UHFFFAOYSA-N 0 0 220.316 2.473 10 30 BEEERN N#CC1(C2CC2)CCC2(CC1)OCCO2 ZINC000149383693 181028676 /nfs/dbraw/zinc/02/86/76/181028676.db2.gz RAVLYZBFUPCQDA-UHFFFAOYSA-N 0 0 207.273 2.223 10 30 BEEERN N#CCC(=O)Nc1cc(Cl)ccc1F ZINC000035284683 181033891 /nfs/dbraw/zinc/03/38/91/181033891.db2.gz BNIBDIOZSXCWRC-UHFFFAOYSA-N 0 0 212.611 2.331 10 30 BEEERN N#CCC(=O)Nc1c(F)cccc1Cl ZINC000083347170 181034136 /nfs/dbraw/zinc/03/41/36/181034136.db2.gz IVUNIPZSKSMBBS-UHFFFAOYSA-N 0 0 212.611 2.331 10 30 BEEERN N#CC[C@H]1NCCc2c(Cl)cccc21 ZINC000083667461 181047496 /nfs/dbraw/zinc/04/74/96/181047496.db2.gz UIWUHOCAADOQND-LLVKDONJSA-N 0 0 206.676 2.440 10 30 BEEERN N#CC[C@H]1NCCc2ccc(Cl)cc21 ZINC000083667128 181047206 /nfs/dbraw/zinc/04/72/06/181047206.db2.gz VGGZMDVUQQCMJM-LLVKDONJSA-N 0 0 206.676 2.440 10 30 BEEERN N#CCc1c[nH]c2c1cccc2[N+](=O)[O-] ZINC000035635648 181047431 /nfs/dbraw/zinc/04/74/31/181047431.db2.gz NJKPZSRGTAWZMP-UHFFFAOYSA-N 0 0 201.185 2.142 10 30 BEEERN N#CCc1nc2ccccc2n1C[C@H]1CCCO1 ZINC000104339764 181049830 /nfs/dbraw/zinc/04/98/30/181049830.db2.gz SZIDPFBYANAQLZ-LLVKDONJSA-N 0 0 241.294 2.281 10 30 BEEERN N#C[C@@H](CCO)c1ccc(Br)cc1 ZINC000049830011 181053972 /nfs/dbraw/zinc/05/39/72/181053972.db2.gz IUMYRHREVSVOBE-SECBINFHSA-N 0 0 240.100 2.439 10 30 BEEERN N#C[C@@H](C(=O)[C@@H]1CCCOC1)c1cccc(F)c1 ZINC000062235983 181053994 /nfs/dbraw/zinc/05/39/94/181053994.db2.gz GCDICTXDKLDVDY-DGCLKSJQSA-N 0 0 247.269 2.429 10 30 BEEERN N#C[C@@H](C(=O)[C@@H]1CCCOC1)c1ccccc1F ZINC000062236156 181054734 /nfs/dbraw/zinc/05/47/34/181054734.db2.gz CRQSPPGTRYYQBD-ZYHUDNBSSA-N 0 0 247.269 2.429 10 30 BEEERN N#C[C@@H](N)COc1c(Cl)cccc1Cl ZINC000019666052 181056326 /nfs/dbraw/zinc/05/63/26/181056326.db2.gz RIBBCTNHJDHPKX-ZCFIWIBFSA-N 0 0 231.082 2.223 10 30 BEEERN N#C[C@H](NCCO)c1cc(Cl)cc(Cl)c1 ZINC000053708077 181065565 /nfs/dbraw/zinc/06/55/65/181065565.db2.gz DMKUKABBBMCTSE-JTQLQIEISA-N 0 0 245.109 2.140 10 30 BEEERN N#C[C@H](NC1CCCC1)c1ccc(O)c(O)c1 ZINC000037968378 181065634 /nfs/dbraw/zinc/06/56/34/181065634.db2.gz VGUGVSDRIMSTHU-NSHDSACASA-N 0 0 232.283 2.195 10 30 BEEERN N#C[C@H](NC[C@@H]1CCCO1)c1ccccc1 ZINC000037855320 181065661 /nfs/dbraw/zinc/06/56/61/181065661.db2.gz PIIVHEIULAKQJI-STQMWFEESA-N 0 0 216.284 2.020 10 30 BEEERN N#C[C@H](NCC1CC1)c1cccc(F)c1 ZINC000037946711 181066013 /nfs/dbraw/zinc/06/60/13/181066013.db2.gz WFWOFGBLSKSMCQ-LBPRGKRZSA-N 0 0 204.248 2.390 10 30 BEEERN N#C[C@H](NCC(F)(F)F)c1ccsc1 ZINC000037970867 181066290 /nfs/dbraw/zinc/06/62/90/181066290.db2.gz JHTBBSKOGQUJCC-ZETCQYMHSA-N 0 0 220.219 2.465 10 30 BEEERN N#C[C@@H](c1ccc(O)cc1)N1CCCC1 ZINC000037355508 181057790 /nfs/dbraw/zinc/05/77/90/181057790.db2.gz MKHDDQOWGNNSTD-LBPRGKRZSA-N 0 0 202.257 2.053 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1Sc1nccc(=O)[nH]1 ZINC000037156306 181058798 /nfs/dbraw/zinc/05/87/98/181058798.db2.gz DBYVYFFILJMRHZ-DTWKUNHWSA-N 0 0 235.312 2.357 10 30 BEEERN N#C[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 ZINC000057524717 181059047 /nfs/dbraw/zinc/05/90/47/181059047.db2.gz MSKXJEPYMFZMKD-NSHDSACASA-N 0 0 234.686 2.468 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000054825512 181059771 /nfs/dbraw/zinc/05/97/71/181059771.db2.gz XWGXFAJJTQKKQI-AAEUAGOBSA-N 0 0 245.282 2.377 10 30 BEEERN N#C[C@@H]1CNc2ccc(Br)cc21 ZINC000071486935 181060867 /nfs/dbraw/zinc/06/08/67/181060867.db2.gz RDUIGOQTRYPCCI-ZCFIWIBFSA-N 0 0 223.073 2.482 10 30 BEEERN N#C[C@@H]1CNc2cc(C(F)(F)F)ccc2O1 ZINC000075883190 181061077 /nfs/dbraw/zinc/06/10/77/181061077.db2.gz JWWPMOAUQQNTSX-SSDOTTSWSA-N 0 0 228.173 2.402 10 30 BEEERN N#C[C@H](C(=O)CC1CC1)c1ccc2c(c1)OCO2 ZINC000049730721 181062475 /nfs/dbraw/zinc/06/24/75/181062475.db2.gz LZXFDHBTDQAFQC-NSHDSACASA-N 0 0 243.262 2.392 10 30 BEEERN N#C[C@@]1(NCc2cccs2)CCSC1 ZINC000037939551 181062741 /nfs/dbraw/zinc/06/27/41/181062741.db2.gz MZROZEBMNSZIJE-JTQLQIEISA-N 0 0 224.354 2.237 10 30 BEEERN N#C[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000061614194 181062866 /nfs/dbraw/zinc/06/28/66/181062866.db2.gz YFHNQSGMKRYMGU-ZDUSSCGKSA-N 0 0 228.295 2.306 10 30 BEEERN N#C[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 ZINC000057524716 181068491 /nfs/dbraw/zinc/06/84/91/181068491.db2.gz MSKXJEPYMFZMKD-LLVKDONJSA-N 0 0 234.686 2.468 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1F ZINC000061889264 181068522 /nfs/dbraw/zinc/06/85/22/181068522.db2.gz YEOHRPXXXQYERA-SKDRFNHKSA-N 0 0 232.258 2.248 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000054829754 181068619 /nfs/dbraw/zinc/06/86/19/181068619.db2.gz VOPXOSLUEGOMJH-YPMHNXCESA-N 0 0 245.282 2.377 10 30 BEEERN N#C[C@H]1CCCN1C(=O)CCc1ccccc1 ZINC000057517922 181069260 /nfs/dbraw/zinc/06/92/60/181069260.db2.gz MFJMSDXJHWKYJJ-CYBMUJFWSA-N 0 0 228.295 2.134 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1ccsc1 ZINC000061888759 181069995 /nfs/dbraw/zinc/06/99/95/181069995.db2.gz YHSSCMCHWCQIGD-GHMZBOCLSA-N 0 0 234.324 2.099 10 30 BEEERN N#Cc1c(F)cccc1N1CCCC[C@H](CO)C1 ZINC000371060594 181075176 /nfs/dbraw/zinc/07/51/76/181075176.db2.gz AZKKFBFTRUSUJI-NSHDSACASA-N 0 0 248.301 2.296 10 30 BEEERN N#Cc1cc(=O)[nH]c2c(Cl)cccc12 ZINC000077256108 181082157 /nfs/dbraw/zinc/08/21/57/181082157.db2.gz BSHXFFMUWDIQTI-UHFFFAOYSA-N 0 0 204.616 2.053 10 30 BEEERN N#Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000011956361 181094216 /nfs/dbraw/zinc/09/42/16/181094216.db2.gz YRRWLEBCMXRGMY-UHFFFAOYSA-N 0 0 204.616 2.053 10 30 BEEERN N#Cc1ccc(-c2cccc(C=O)c2)nc1 ZINC000098180745 181094915 /nfs/dbraw/zinc/09/49/15/181094915.db2.gz HBIQGGHUKFQTOM-UHFFFAOYSA-N 0 0 208.220 2.433 10 30 BEEERN N#Cc1ccc(-c2ccc(CO)cc2)cc1O ZINC000065341338 181095497 /nfs/dbraw/zinc/09/54/97/181095497.db2.gz IEMZBVRLTGDLDH-UHFFFAOYSA-N 0 0 225.247 2.423 10 30 BEEERN N#Cc1cc(N)ccc1NC1(CO)CCCCC1 ZINC000053113817 181088947 /nfs/dbraw/zinc/08/89/47/181088947.db2.gz SAVAFBLWYRQLMR-UHFFFAOYSA-N 0 0 245.326 2.248 10 30 BEEERN N#Cc1cc(N[C@H]2CCC[C@@H]2O)ccc1F ZINC000051636641 181091419 /nfs/dbraw/zinc/09/14/19/181091419.db2.gz NUTKAKDUZHIEIS-RYUDHWBXSA-N 0 0 220.247 2.023 10 30 BEEERN N#Cc1cc(OC2CC2)c(Br)cn1 ZINC000095736552 181091709 /nfs/dbraw/zinc/09/17/09/181091709.db2.gz MSEXZRGJZBAGBV-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1cc2c(cc1Br)OCCO2 ZINC000036182624 181093367 /nfs/dbraw/zinc/09/33/67/181093367.db2.gz IIQPGPVBEFHNAW-UHFFFAOYSA-N 0 0 240.056 2.092 10 30 BEEERN N#Cc1ccc(C(=O)N2CCCSCC2)cc1 ZINC000042294544 181098388 /nfs/dbraw/zinc/09/83/88/181098388.db2.gz LDLOINZCMIVRTA-UHFFFAOYSA-N 0 0 246.335 2.137 10 30 BEEERN N#Cc1ccc(C(=O)NC2CCCCC2)cn1 ZINC000114995157 181099398 /nfs/dbraw/zinc/09/93/98/181099398.db2.gz MITJUCQPWMPBRI-UHFFFAOYSA-N 0 0 229.283 2.016 10 30 BEEERN N#Cc1ccc(NCCc2ccco2)c(N)c1 ZINC000042587130 181121665 /nfs/dbraw/zinc/12/16/65/181121665.db2.gz HLFXBUKNHGSRBO-UHFFFAOYSA-N 0 0 227.267 2.388 10 30 BEEERN N#Cc1ccc(Cl)cc1S(=O)(=O)[N-][N+]#N ZINC000034669612 181111812 /nfs/dbraw/zinc/11/18/12/181111812.db2.gz ADGNKMMKUBSNGF-UHFFFAOYSA-N 0 0 242.647 2.211 10 30 BEEERN N#Cc1ccc(N2CCCC[C@@H](CO)C2)c(F)c1 ZINC000371063680 181115654 /nfs/dbraw/zinc/11/56/54/181115654.db2.gz MPHKZNDQHBVASV-GFCCVEGCSA-N 0 0 248.301 2.296 10 30 BEEERN N#Cc1ccc(N2CC[C@H]3CCCC[C@@H]32)nn1 ZINC000302001108 181116733 /nfs/dbraw/zinc/11/67/33/181116733.db2.gz QHVKQPZXPYFSQU-PWSUYJOCSA-N 0 0 228.299 2.117 10 30 BEEERN N#Cc1ccc(N2C[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000357539541 181117427 /nfs/dbraw/zinc/11/74/27/181117427.db2.gz SJFNJFJUPSYXLM-ZYHUDNBSSA-N 0 0 243.266 2.455 10 30 BEEERN N#Cc1ccc(NC(=O)c2ccc(N)cc2)cc1 ZINC000020193579 181119040 /nfs/dbraw/zinc/11/90/40/181119040.db2.gz KMZIHYXCTPUFKL-UHFFFAOYSA-N 0 0 237.262 2.393 10 30 BEEERN N#Cc1ccc(NC(=O)c2cccs2)cn1 ZINC000040879803 181119647 /nfs/dbraw/zinc/11/96/47/181119647.db2.gz DEBQURFJFYIPRH-UHFFFAOYSA-N 0 0 229.264 2.267 10 30 BEEERN N#Cc1ccc(N[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000052006805 181124254 /nfs/dbraw/zinc/12/42/54/181124254.db2.gz JQDUJHNORJFDEG-OLZOCXBDSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1ccc(N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000037691249 181124273 /nfs/dbraw/zinc/12/42/73/181124273.db2.gz WHYMHTWJKAYILC-OLZOCXBDSA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1ccc(NCc2ccncc2)cc1C#N ZINC000083360846 181124934 /nfs/dbraw/zinc/12/49/34/181124934.db2.gz IJBRUPKHMVGMEO-UHFFFAOYSA-N 0 0 234.262 2.437 10 30 BEEERN C[C@H]1SCC[C@@]1(O)c1ccc(C#N)cc1 ZINC000521401173 259455418 /nfs/dbraw/zinc/45/54/18/259455418.db2.gz GIHQSMBRHPRBIZ-SKDRFNHKSA-N 0 0 219.309 2.271 10 30 BEEERN NC(=NO)c1nccc2c(Cl)cc(F)cc21 ZINC000521400997 259455437 /nfs/dbraw/zinc/45/54/37/259455437.db2.gz ILENMPQOUVQPPL-UHFFFAOYSA-N 0 0 239.637 2.122 10 30 BEEERN N#Cc1cccc(-c2cnn(-c3ccccn3)n2)c1 ZINC000013582337 181133741 /nfs/dbraw/zinc/13/37/41/181133741.db2.gz SCQACYJRFBVXLW-UHFFFAOYSA-N 0 0 247.261 2.201 10 30 BEEERN N#Cc1ccc([C@H](C#N)NCC(F)(F)F)cc1 ZINC000037971018 181129641 /nfs/dbraw/zinc/12/96/41/181129641.db2.gz OTGUONYQMFJXJF-JTQLQIEISA-N 0 0 239.200 2.275 10 30 BEEERN N#Cc1ccc([C@H](O)c2cccnc2)cc1 ZINC000122019777 181130077 /nfs/dbraw/zinc/13/00/77/181130077.db2.gz QQNQNPRUJXZUBP-ZDUSSCGKSA-N 0 0 210.236 2.035 10 30 BEEERN N#Cc1ccc([C@@H](C#N)NCC2CC2)cc1 ZINC000037946835 181130255 /nfs/dbraw/zinc/13/02/55/181130255.db2.gz QGEAKNDFYZLALQ-CYBMUJFWSA-N 0 0 211.268 2.123 10 30 BEEERN N#Cc1ccc([C@@H](O)c2cccnc2)cc1 ZINC000122019573 181130575 /nfs/dbraw/zinc/13/05/75/181130575.db2.gz QQNQNPRUJXZUBP-CYBMUJFWSA-N 0 0 210.236 2.035 10 30 BEEERN N#Cc1ccc2c(c1)CN[C@H](C(F)(F)F)C2 ZINC000013686972 181132316 /nfs/dbraw/zinc/13/23/16/181132316.db2.gz FQMARIFLTAAEKA-JTQLQIEISA-N 0 0 226.201 2.135 10 30 BEEERN N#Cc1ccccc1NCC1CCOCC1 ZINC000051924402 181148109 /nfs/dbraw/zinc/14/81/09/181148109.db2.gz DMTYINBPORZOJO-UHFFFAOYSA-N 0 0 216.284 2.397 10 30 BEEERN N#Cc1ccccc1Nc1ccc(N)cn1 ZINC000020585518 181148925 /nfs/dbraw/zinc/14/89/25/181148925.db2.gz BCNNQBVQWDFFBK-UHFFFAOYSA-N 0 0 210.240 2.279 10 30 BEEERN C=CCNC(=S)N/N=C(\C)c1ccccc1 ZINC000036047572 166395875 /nfs/dbraw/zinc/39/58/75/166395875.db2.gz RIHATOSVGQGZKW-GXDHUFHOSA-N 0 0 233.340 2.061 10 30 BEEERN N#CC#Cc1ccc(F)cc1Br ZINC000161219750 363442309 /nfs/dbraw/zinc/44/23/09/363442309.db2.gz RQANKXKHBJLKJF-UHFFFAOYSA-N 0 0 224.032 2.463 10 30 BEEERN N#Cc1ccnc(OCCOc2ccccc2)c1 ZINC000019472554 181158298 /nfs/dbraw/zinc/15/82/98/181158298.db2.gz MBTLEQONZIIOSV-UHFFFAOYSA-N 0 0 240.262 2.411 10 30 BEEERN N#Cc1ccsc1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000335806686 181160873 /nfs/dbraw/zinc/16/08/73/181160873.db2.gz NBEVWLBSMOXGHI-ZJUUUORDSA-N 0 0 232.308 2.244 10 30 BEEERN N#Cc1cn2cc(F)cc(Br)c2n1 ZINC000082693960 181161050 /nfs/dbraw/zinc/16/10/50/181161050.db2.gz LTUNIUUVAMGHPX-UHFFFAOYSA-N 0 0 240.035 2.108 10 30 BEEERN N#Cc1cn2ccc(C(F)(F)F)cc2n1 ZINC000082695097 181161626 /nfs/dbraw/zinc/16/16/26/181161626.db2.gz RHTKCIAJNBDTRP-UHFFFAOYSA-N 0 0 211.146 2.225 10 30 BEEERN N#Cc1c[nH]c(-c2cccs2)cc1=O ZINC000077297247 181162153 /nfs/dbraw/zinc/16/21/53/181162153.db2.gz BLYJFCMEYWMHNT-UHFFFAOYSA-N 0 0 202.238 2.387 10 30 BEEERN N#Cc1nccc(OC2CC2)c1Br ZINC000095736606 181170528 /nfs/dbraw/zinc/17/05/28/181170528.db2.gz ZZCWPOXIPNMHFK-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1ncc(Br)cc1OC1CC1 ZINC000095736554 181170712 /nfs/dbraw/zinc/17/07/12/181170712.db2.gz YPAKBEOJXNBXCH-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1ncccc1COc1ccccc1N ZINC000061656297 181170987 /nfs/dbraw/zinc/17/09/87/181170987.db2.gz XFFCDUPLSLFVMS-UHFFFAOYSA-N 0 0 225.251 2.114 10 30 BEEERN N#Cc1nc(-c2ccccc2Cl)oc1N ZINC000034632957 181167166 /nfs/dbraw/zinc/16/71/66/181167166.db2.gz KOJZOLDGZBGFKP-UHFFFAOYSA-N 0 0 219.631 2.449 10 30 BEEERN N#Cc1nccnc1OCCc1cccs1 ZINC000054380331 181174911 /nfs/dbraw/zinc/17/49/11/181174911.db2.gz NBHJAJJNRZNYAD-UHFFFAOYSA-N 0 0 231.280 2.031 10 30 BEEERN N#Cc1nccnc1Sc1ccccc1N ZINC000054378891 181175384 /nfs/dbraw/zinc/17/53/84/181175384.db2.gz ULKLBTLINFDISK-UHFFFAOYSA-N 0 0 228.280 2.082 10 30 BEEERN CC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000020363669 355220207 /nfs/dbraw/zinc/22/02/07/355220207.db2.gz BUCAHNMCBBHVSE-MNOVXSKESA-N 0 0 246.310 2.240 10 30 BEEERN N=C(Nc1ccc(Cl)cc1)Nc1ncccn1 ZINC000072448712 181179503 /nfs/dbraw/zinc/17/95/03/181179503.db2.gz MQIAHSOVQWYJBP-UHFFFAOYSA-N 0 0 247.689 2.188 10 30 BEEERN N=C(NOC(=O)c1ccccc1)c1ccccc1 ZINC000031659714 181181385 /nfs/dbraw/zinc/18/13/85/181181385.db2.gz SSYOZOYJXGBBLS-UHFFFAOYSA-N 0 0 240.262 2.164 10 30 BEEERN N/C(=N\O)c1ccccc1Sc1ccccn1 ZINC000020077053 181180784 /nfs/dbraw/zinc/18/07/84/181180784.db2.gz WOZAJVJDIOCGDV-UHFFFAOYSA-N 0 0 245.307 2.327 10 30 BEEERN N/C(COc1cccc(Cl)c1Cl)=N\O ZINC000019474253 181183838 /nfs/dbraw/zinc/18/38/38/181183838.db2.gz QSAWKGKVZOVWMD-UHFFFAOYSA-N 0 0 235.070 2.119 10 30 BEEERN N/C(COc1cc(Cl)ccc1Cl)=N\O ZINC000019516970 181184464 /nfs/dbraw/zinc/18/44/64/181184464.db2.gz OIHPJNGVMAARDZ-UHFFFAOYSA-N 0 0 235.070 2.119 10 30 BEEERN N/C(=N\O)c1cccnc1Oc1ccccc1F ZINC000019429322 181181696 /nfs/dbraw/zinc/18/16/96/181181696.db2.gz FPRHENNKEZQHLC-UHFFFAOYSA-N 0 0 247.229 2.108 10 30 BEEERN N/C(CCCSCc1ccccc1)=N\O ZINC000019847727 181182504 /nfs/dbraw/zinc/18/25/04/181182504.db2.gz OHPJLHVVAJWQJS-UHFFFAOYSA-N 0 0 224.329 2.446 10 30 BEEERN N/C(CCOc1ccc2ccccc2c1)=N\O ZINC000019802730 181182611 /nfs/dbraw/zinc/18/26/11/181182611.db2.gz CNXMATRFSBXNSZ-UHFFFAOYSA-N 0 0 230.267 2.355 10 30 BEEERN N/C(CCCOc1cccc2cccnc21)=N\O ZINC000020297068 181182621 /nfs/dbraw/zinc/18/26/21/181182621.db2.gz SELZTJUPINIPQC-UHFFFAOYSA-N 0 0 245.282 2.140 10 30 BEEERN N#CCNC(=O)c1cccc2ccccc21 ZINC000034277362 355310465 /nfs/dbraw/zinc/31/04/65/355310465.db2.gz MPKUCJXELPSCEU-UHFFFAOYSA-N 0 0 210.236 2.093 10 30 BEEERN C=CCOc1cccc(NC(=O)[C@@H](C)COC)c1 ZINC000103385613 355364301 /nfs/dbraw/zinc/36/43/01/355364301.db2.gz UEPFLQGKBPIKPX-NSHDSACASA-N 0 0 249.310 2.472 10 30 BEEERN Nc1[nH]c(=O)sc1N=Nc1ccccc1 ZINC000038183343 181206163 /nfs/dbraw/zinc/20/61/63/181206163.db2.gz NZOPWUIVWDFAJY-JYRVWZFOSA-N 0 0 220.257 2.050 10 30 BEEERN N#CCCN1CCC(c2cccnc2)CC1 ZINC000057497451 355772341 /nfs/dbraw/zinc/77/23/41/355772341.db2.gz PQKMZJKHQXUVEB-UHFFFAOYSA-N 0 0 215.300 2.175 10 30 BEEERN CC1(NC(=O)N[C@H]2CCC[C@@H]2C#N)CCCC1 ZINC000336030681 134058152 /nfs/dbraw/zinc/05/81/52/134058152.db2.gz SZDNKNXQYKIBCC-MNOVXSKESA-N 0 0 235.331 2.311 10 30 BEEERN C=CCCNc1ncc(Br)cc1N ZINC000168447623 355830926 /nfs/dbraw/zinc/83/09/26/355830926.db2.gz DPMBBEBBBUVULP-UHFFFAOYSA-N 0 0 242.120 2.414 10 30 BEEERN Cc1cnccc1CC(=O)N[C@@H]1CCO[C@@H]1C ZINC000329245939 355907174 /nfs/dbraw/zinc/90/71/74/355907174.db2.gz VLFVIHAPUMTCDA-ZYHUDNBSSA-N 0 0 234.299 2.066 10 30 BEEERN Cc1cnc([C@@H](C)NC(=O)[C@H]2CCCO2)o1 ZINC000329254932 355908034 /nfs/dbraw/zinc/90/80/34/355908034.db2.gz XBMABABTAVGSGR-RKDXNWHRSA-N 0 0 224.260 2.180 10 30 BEEERN Cc1cnc([C@H](C)NC(=O)[C@H]2CCCO2)o1 ZINC000329254930 355908058 /nfs/dbraw/zinc/90/80/58/355908058.db2.gz XBMABABTAVGSGR-DTWKUNHWSA-N 0 0 224.260 2.180 10 30 BEEERN C#Cc1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000095761551 191911975 /nfs/dbraw/zinc/91/19/75/191911975.db2.gz VFWRVGNDDMFNCN-UHFFFAOYSA-N 0 0 218.256 2.410 10 30 BEEERN Cc1cnc([C@@H](C)NC(=O)[C@@H]2CCCO2)o1 ZINC000329468053 355923404 /nfs/dbraw/zinc/92/34/04/355923404.db2.gz XBMABABTAVGSGR-BDAKNGLRSA-N 0 0 224.260 2.180 10 30 BEEERN COc1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)cn1 ZINC000329471174 355924239 /nfs/dbraw/zinc/92/42/39/355924239.db2.gz YTUNJDAELCMEII-MWLCHTKSSA-N 0 0 247.298 2.120 10 30 BEEERN Cc1cnc(NC(=O)[C@@H]2CC[C@H](C)O2)o1 ZINC000330110816 356171755 /nfs/dbraw/zinc/17/17/55/356171755.db2.gz QTNZVGPTFKCRGF-XPUUQOCRSA-N 0 0 210.233 2.139 10 30 BEEERN N#Cc1cc(F)ccc1N1CCCC[C@@H](CO)C1 ZINC000374105134 192015528 /nfs/dbraw/zinc/01/55/28/192015528.db2.gz HIRLGKMVTFMTSZ-LLVKDONJSA-N 0 0 248.301 2.296 10 30 BEEERN Cc1nnc(SC(C)C)c(C#N)c1C ZINC000040291396 356416226 /nfs/dbraw/zinc/41/62/26/356416226.db2.gz SYBUDSMZANINAE-UHFFFAOYSA-N 0 0 207.302 2.466 10 30 BEEERN N#CCc1cc([N+](=O)[O-])ncc1C(F)(F)F ZINC000396122980 356455085 /nfs/dbraw/zinc/45/50/85/356455085.db2.gz VXQFNARLIYFDBK-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN Cc1nnsc1CN[C@@H]1CCCC[C@H]1C#N ZINC000384211374 356481390 /nfs/dbraw/zinc/48/13/90/356481390.db2.gz CNBLUKGCKNMDIQ-VHSXEESVSA-N 0 0 236.344 2.019 10 30 BEEERN C=C(Cl)CN1CCC(=O)[C@H](C)[C@@H]1C ZINC000167975630 356489010 /nfs/dbraw/zinc/48/90/10/356489010.db2.gz HINGPCBYMRNUAF-BDAKNGLRSA-N 0 0 201.697 2.038 10 30 BEEERN COc1ccc(OC)c(C#CSC)c1 ZINC000207450057 356498414 /nfs/dbraw/zinc/49/84/14/356498414.db2.gz ZAJQPLNHSVOFKU-UHFFFAOYSA-N 0 0 208.282 2.376 10 30 BEEERN C[C@H]1CN(CC2(C#N)CCC2)CC(C)(C)O1 ZINC000336192158 134123803 /nfs/dbraw/zinc/12/38/03/134123803.db2.gz ALUKSKGRNAMMNC-NSHDSACASA-N 0 0 222.332 2.180 10 30 BEEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)c1ccncc1 ZINC000088169974 356573892 /nfs/dbraw/zinc/57/38/92/356573892.db2.gz UMIQZBPBIXHREY-WCFLWFBJSA-N 0 0 215.300 2.424 10 30 BEEERN C#CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000675050318 538472189 /nfs/dbraw/zinc/47/21/89/538472189.db2.gz PWGPSOVVKGDKSN-UHFFFAOYSA-N 0 0 207.273 2.019 10 30 BEEERN C[C@@H]1Cc2cnc(N)c(C#N)c2[C@@H](C)C1 ZINC000675063887 538490839 /nfs/dbraw/zinc/49/08/39/538490839.db2.gz RSTJBELHCXBMPR-YUMQZZPRSA-N 0 0 201.273 2.221 10 30 BEEERN N#Cc1cc2c(F)c(F)cc(F)c2[nH]c1=O ZINC000675067315 538493800 /nfs/dbraw/zinc/49/38/00/538493800.db2.gz FUQQKHIPMOJTKE-UHFFFAOYSA-N 0 0 224.141 2.229 10 30 BEEERN N#Cc1ccc(N)c(C#CC(F)(F)F)c1 ZINC000675078896 538515988 /nfs/dbraw/zinc/51/59/88/538515988.db2.gz NCXHNQTVIWGZIQ-UHFFFAOYSA-N 0 0 210.158 2.054 10 30 BEEERN C#Cc1ccccc1NC(=O)NC(C)C ZINC000675079178 538517236 /nfs/dbraw/zinc/51/72/36/538517236.db2.gz QXXQPURRMFFEHW-UHFFFAOYSA-N 0 0 202.257 2.198 10 30 BEEERN N#C[C@H]1CCOC12CCC(F)(F)CC2 ZINC000675079318 538517520 /nfs/dbraw/zinc/51/75/20/538517520.db2.gz CGWUAVCGZJVLSX-MRVPVSSYSA-N 0 0 201.216 2.495 10 30 BEEERN C=CCCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113894208 134161675 /nfs/dbraw/zinc/16/16/75/134161675.db2.gz SBOYZUGUQLMPJF-LBPRGKRZSA-N 0 0 233.315 2.430 10 30 BEEERN C#Cc1ccc(NS(=O)(=O)CCCC)cc1 ZINC000675079787 538518730 /nfs/dbraw/zinc/51/87/30/538518730.db2.gz XVXIPBLCHKHPGA-UHFFFAOYSA-N 0 0 237.324 2.210 10 30 BEEERN C=C(Br)CNc1cc(C)c(C)nn1 ZINC000302788487 134158082 /nfs/dbraw/zinc/15/80/82/134158082.db2.gz CLZWAKSGYTYSPM-UHFFFAOYSA-N 0 0 242.120 2.414 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1ccc(N)c(F)c1 ZINC000675077264 538512263 /nfs/dbraw/zinc/51/22/63/538512263.db2.gz BSGHNHLSLWBDRI-UHFFFAOYSA-N 0 0 235.258 2.101 10 30 BEEERN CCOC(=O)[C@@H]1O[C@]1(C)CCC(C)C ZINC000084324581 538531111 /nfs/dbraw/zinc/53/11/11/538531111.db2.gz DPNRKFSCXPAGDB-GXSJLCMTSA-N 0 0 200.278 2.143 10 30 BEEERN CCCCCC[C@]1(C)O[C@H]1C(=O)OC ZINC000084324245 538531367 /nfs/dbraw/zinc/53/13/67/538531367.db2.gz ANRPIHXMTGIZNX-ONGXEEELSA-N 0 0 200.278 2.287 10 30 BEEERN COC(=O)[C@@H]1O[C@@]1(C)c1ccc(F)cc1Cl ZINC000085657639 538544359 /nfs/dbraw/zinc/54/43/59/538544359.db2.gz MICFZQLAJXVRAA-ONGXEEELSA-N 0 0 244.649 2.266 10 30 BEEERN C=CCOc1nc(Cl)ncc1Cl ZINC000034568869 356702477 /nfs/dbraw/zinc/70/24/77/356702477.db2.gz HODJLWPDHNORFS-UHFFFAOYSA-N 0 0 205.044 2.348 10 30 BEEERN CC[C@H](C)[C@]1(C)O[C@@]1(C(=O)OC)C(C)C ZINC000086182461 538550304 /nfs/dbraw/zinc/55/03/04/538550304.db2.gz LWDLMQLNCWMTLN-ZMLRMANQSA-N 0 0 214.305 2.389 10 30 BEEERN COC(=O)[C@@]1(C(C)C)O[C@]1(C)C(C)(C)C ZINC000086182591 538552869 /nfs/dbraw/zinc/55/28/69/538552869.db2.gz GJRQKWPXWMYEMQ-VXGBXAGGSA-N 0 0 214.305 2.389 10 30 BEEERN COC(=O)[C@]1(C(C)C)O[C@@]1(C)CC(C)C ZINC000086182683 538552882 /nfs/dbraw/zinc/55/28/82/538552882.db2.gz ABDZCMMYFTYHAQ-RYUDHWBXSA-N 0 0 214.305 2.389 10 30 BEEERN COC(=O)[C@@H]1O[C@]12CCCC21CCCCC1 ZINC000312996154 538571769 /nfs/dbraw/zinc/57/17/69/538571769.db2.gz RSLJORHLYKLZMC-GXFFZTMASA-N 0 0 224.300 2.431 10 30 BEEERN N#Cc1cccn1-c1nc(Cl)cs1 ZINC000160462320 356984623 /nfs/dbraw/zinc/98/46/23/356984623.db2.gz XJQLHQNXHQGIRU-UHFFFAOYSA-N 0 0 209.661 2.459 10 30 BEEERN C[C@H](C#N)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190980682 357735636 /nfs/dbraw/zinc/73/56/36/357735636.db2.gz FKOIZQLNGDDFRN-LLVKDONJSA-N 0 0 222.332 2.322 10 30 BEEERN CC[C@@H](C#N)NC(=O)C(C)(C)c1cccs1 ZINC000123570945 535389696 /nfs/dbraw/zinc/38/96/96/535389696.db2.gz AFHOFTUZRFQHQO-VIFPVBQESA-N 0 0 236.340 2.444 10 30 BEEERN C=CCSCCNc1ccncc1[N+](=O)[O-] ZINC000218041962 134251025 /nfs/dbraw/zinc/25/10/25/134251025.db2.gz BBGFPXPSSRXXLF-UHFFFAOYSA-N 0 0 239.300 2.321 10 30 BEEERN CC(C)[C@@H](C)NC(=O)c1sccc1C#N ZINC000052028275 358138017 /nfs/dbraw/zinc/13/80/17/358138017.db2.gz ZTLCDXPLRHIAFW-MRVPVSSYSA-N 0 0 222.313 2.394 10 30 BEEERN C#CCOc1cnc2c(Cl)nccc2c1 ZINC000584616064 358280888 /nfs/dbraw/zinc/28/08/88/358280888.db2.gz YOIOZRACOAFNBO-UHFFFAOYSA-N 0 0 218.643 2.295 10 30 BEEERN N#Cc1cccc(N2C(=O)CC[C@H]2CF)c1 ZINC000584613466 358277306 /nfs/dbraw/zinc/27/73/06/358277306.db2.gz INSQCXLNRQUNTN-NSHDSACASA-N 0 0 218.231 2.023 10 30 BEEERN C[C@@H](C#N)NC(=O)N(C)c1ccc(Cl)cc1 ZINC000584613419 358277451 /nfs/dbraw/zinc/27/74/51/358277451.db2.gz OVKYLIMTCKLDIN-QMMMGPOBSA-N 0 0 237.690 2.398 10 30 BEEERN C=C(C)c1ccc(C(=O)OC)cc1C(=O)OC ZINC000584614895 358279617 /nfs/dbraw/zinc/27/96/17/358279617.db2.gz AWDDQLVNGDWRHS-UHFFFAOYSA-N 0 0 234.251 2.293 10 30 BEEERN CCOC(=O)[C@@](C#N)(CC)c1cccc(OC)c1 ZINC000584595638 358253155 /nfs/dbraw/zinc/25/31/55/358253155.db2.gz UXURFHUGPXKDQG-CQSZACIVSA-N 0 0 247.294 2.430 10 30 BEEERN C#C[C@](O)(C1CCCC1)C1(C#N)CCC1 ZINC000584600414 358257097 /nfs/dbraw/zinc/25/70/97/358257097.db2.gz LRLKFDZHJMAANH-ZDUSSCGKSA-N 0 0 203.285 2.235 10 30 BEEERN C#C[C@](O)(c1ccccc1)[C@@]1(C#N)C[C@@H]1C ZINC000584603472 358261952 /nfs/dbraw/zinc/26/19/52/358261952.db2.gz YBSBWQOHQHITTE-YUTCNCBUSA-N 0 0 211.264 2.057 10 30 BEEERN C=CC[C@@H]1C(Cl)=CCC(=O)N1CC=C ZINC000584607599 358267923 /nfs/dbraw/zinc/26/79/23/358267923.db2.gz RSDOXVXWOUZWJD-SNVBAGLBSA-N 0 0 211.692 2.472 10 30 BEEERN C=CC[C@H]1CCCN1[S@](=O)C(C)(C)C ZINC000584608713 358269234 /nfs/dbraw/zinc/26/92/34/358269234.db2.gz MBAFYTPAMAKQRM-IINYFYTJSA-N 0 0 215.362 2.489 10 30 BEEERN C=C[C@@]1(c2ccccc2OC)COCO1 ZINC000584610413 358272977 /nfs/dbraw/zinc/27/29/77/358272977.db2.gz YYJFGLBGIGWVIH-LBPRGKRZSA-N 0 0 206.241 2.081 10 30 BEEERN COc1ccc(/C=C/C(=O)C(=O)SC)cc1 ZINC000584610401 358273280 /nfs/dbraw/zinc/27/32/80/358273280.db2.gz VGLDKXXFBDHOHI-VMPITWQZSA-N 0 0 236.292 2.167 10 30 BEEERN C=C[C@@]1(c2c(F)cccc2F)COCO1 ZINC000584610614 358273766 /nfs/dbraw/zinc/27/37/66/358273766.db2.gz SSTXBKYTQNONTO-NSHDSACASA-N 0 0 212.195 2.350 10 30 BEEERN C/C(=N\O)[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000584624547 358292316 /nfs/dbraw/zinc/29/23/16/358292316.db2.gz UEWBNEXGTDMRQK-MLJWKTOOSA-N 0 0 247.342 2.047 10 30 BEEERN CC(C)(C)S(=O)(=O)N=C1CCCC1 ZINC000584650937 358305667 /nfs/dbraw/zinc/30/56/67/358305667.db2.gz XTIXJHFIHZPIFZ-UHFFFAOYSA-N 0 0 203.307 2.130 10 30 BEEERN C#CCN1CCN(c2cccc(Cl)c2C)CC1 ZINC000584651809 358307129 /nfs/dbraw/zinc/30/71/29/358307129.db2.gz OLCXSLOMNHSTGB-UHFFFAOYSA-N 0 0 248.757 2.404 10 30 BEEERN C=C(OC(C)=O)C(=O)c1ccc(C)cc1 ZINC000584631590 358314124 /nfs/dbraw/zinc/31/41/24/358314124.db2.gz AECZSIBDUKTSLF-UHFFFAOYSA-N 0 0 204.225 2.255 10 30 BEEERN C=CCN(C)c1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC000584617636 358283095 /nfs/dbraw/zinc/28/30/95/358283095.db2.gz DITPGBXWBLRYJQ-UHFFFAOYSA-N 0 0 232.243 2.093 10 30 BEEERN CCOC(=O)[C@@H](C#N)[C@H]1CCc2ccccc21 ZINC000584618843 358284701 /nfs/dbraw/zinc/28/47/01/358284701.db2.gz XTJOHRNGGGGAIK-STQMWFEESA-N 0 0 229.279 2.419 10 30 BEEERN C/C=C/C=N/NC(=S)NCc1ccccc1 ZINC000584644081 358329215 /nfs/dbraw/zinc/32/92/15/358329215.db2.gz NNSWZGYLQHOOKF-DEAVOCJISA-N 0 0 233.340 2.213 10 30 BEEERN C#CCCCNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000172925668 134270966 /nfs/dbraw/zinc/27/09/66/134270966.db2.gz KRRZOXFAWCBCFD-FZMZJTMJSA-N 0 0 243.306 2.081 10 30 BEEERN C=C[C@@]1(c2ccccc2OC)COC(=O)O1 ZINC000584633423 358316949 /nfs/dbraw/zinc/31/69/49/358316949.db2.gz DMDBTBYDKKTVEV-LBPRGKRZSA-N 0 0 220.224 2.243 10 30 BEEERN C=C[C@]1(Cc2ccccc2)COC(=O)O1 ZINC000584635479 358319643 /nfs/dbraw/zinc/31/96/43/358319643.db2.gz GYLBYDUGIXXCLV-LBPRGKRZSA-N 0 0 204.225 2.321 10 30 BEEERN CO/N=C1\CC(C)(C)Oc2cc(O)ccc21 ZINC000584636025 358320490 /nfs/dbraw/zinc/32/04/90/358320490.db2.gz CZYUMKBVTFOHGW-JLHYYAGUSA-N 0 0 221.256 2.304 10 30 BEEERN N#Cc1ccc(C(=O)Oc2ccccn2)cc1 ZINC000584643077 358327981 /nfs/dbraw/zinc/32/79/81/358327981.db2.gz NWLRTSCDBVTODF-UHFFFAOYSA-N 0 0 224.219 2.172 10 30 BEEERN CCC[C@H]1C[C@H]1NC(=O)C1(C#N)CC(C)C1 ZINC000229623553 358405685 /nfs/dbraw/zinc/40/56/85/358405685.db2.gz CZYUTIJDCDYUFG-PCQVFGIUSA-N 0 0 220.316 2.231 10 30 BEEERN CC(C)C(=O)N[C@H](C#N)c1ccccc1 ZINC000044289594 358406820 /nfs/dbraw/zinc/40/68/20/358406820.db2.gz RCZRJKFBJGIKEF-LLVKDONJSA-N 0 0 202.257 2.023 10 30 BEEERN C[C@@H](C#N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000044824270 358555881 /nfs/dbraw/zinc/55/58/81/358555881.db2.gz HTBLAWYKWWLUQE-VIFPVBQESA-N 0 0 236.702 2.458 10 30 BEEERN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)CCS)C1 ZINC000300224801 358569426 /nfs/dbraw/zinc/56/94/26/358569426.db2.gz BQTSXLZPNTYDIP-BBBLOLIVSA-N 0 0 215.362 2.199 10 30 BEEERN C[C@H](C#N)CN(C)C(=O)NC1CCCCC1 ZINC000042863830 358531525 /nfs/dbraw/zinc/53/15/25/358531525.db2.gz RBWACTFNQQOPHK-SNVBAGLBSA-N 0 0 223.320 2.120 10 30 BEEERN C#CCN(C)c1ccc(C#N)cc1Cl ZINC000130181272 358695681 /nfs/dbraw/zinc/69/56/81/358695681.db2.gz WCOZQAWIVPGOCL-UHFFFAOYSA-N 0 0 204.660 2.281 10 30 BEEERN CCc1cnc(CN[C@@H]2CCC[C@@H]2C#N)s1 ZINC000132443548 358723100 /nfs/dbraw/zinc/72/31/00/358723100.db2.gz AKBIMBBVDFWJGD-MWLCHTKSSA-N 0 0 235.356 2.487 10 30 BEEERN CC[C@H](C#N)NC(=O)CCc1ccc(C)cc1 ZINC000052945857 358802363 /nfs/dbraw/zinc/80/23/63/358802363.db2.gz PQZHROAYYAIQFZ-CYBMUJFWSA-N 0 0 230.311 2.346 10 30 BEEERN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000054825629 358876104 /nfs/dbraw/zinc/87/61/04/358876104.db2.gz NEOPADFFDRQYKI-ZIAGYGMSSA-N 0 0 225.295 2.340 10 30 BEEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 ZINC000054823504 358876428 /nfs/dbraw/zinc/87/64/28/358876428.db2.gz NHSICOLCZGCFLE-JSGCOSHPSA-N 0 0 230.311 2.477 10 30 BEEERN CC[C@@H]1CC[C@@H](C)N1c1cnc(C#N)cn1 ZINC000136153216 325443367 /nfs/dbraw/zinc/44/33/67/325443367.db2.gz YIOXZSPYJSMAOP-MWLCHTKSSA-N 0 0 216.288 2.116 10 30 BEEERN Cc1cccnc1CN[C@@H]1CCC[C@@H]1C#N ZINC000070908707 359064939 /nfs/dbraw/zinc/06/49/39/359064939.db2.gz HVYOSIHDHVDDIM-VXGBXAGGSA-N 0 0 215.300 2.172 10 30 BEEERN C=CCNC(=O)[C@H](C)N1CCC[C@H]1c1ccco1 ZINC000247557432 359233872 /nfs/dbraw/zinc/23/38/72/359233872.db2.gz UFLAGPSKIUEBKV-RYUDHWBXSA-N 0 0 248.326 2.107 10 30 BEEERN Cc1ncc([C@H]2CC[C@](C)(C=O)O2)s1 ZINC000306205827 359294670 /nfs/dbraw/zinc/29/46/70/359294670.db2.gz PDHWNRCDTGXRQZ-PSASIEDQSA-N 0 0 211.286 2.261 10 30 BEEERN CO[C@H](C=O)c1sccc1Br ZINC000306227812 359364063 /nfs/dbraw/zinc/36/40/63/359364063.db2.gz DUZRSKISWANUBJ-ZCFIWIBFSA-N 0 0 235.102 2.397 10 30 BEEERN C#C[C@@H](NC)c1ccc(F)cc1Br ZINC000130309627 359341119 /nfs/dbraw/zinc/34/11/19/359341119.db2.gz CNEONIQUMUZIBJ-SNVBAGLBSA-N 0 0 242.091 2.482 10 30 BEEERN O=C(CCCS)Nc1ccccc1F ZINC000306245337 359428926 /nfs/dbraw/zinc/42/89/26/359428926.db2.gz NOYPODREUUVFPH-UHFFFAOYSA-N 0 0 213.277 2.474 10 30 BEEERN Cc1cc(C#N)ccc1S[C@H](C)CO ZINC000306249858 359450102 /nfs/dbraw/zinc/45/01/02/359450102.db2.gz YGDIUDBUZUGZST-SECBINFHSA-N 0 0 207.298 2.340 10 30 BEEERN CC1(C)COC[C@@]1(C#N)NCc1ccccc1 ZINC000306259767 359477854 /nfs/dbraw/zinc/47/78/54/359477854.db2.gz SMPPOVPMEBWWJG-CQSZACIVSA-N 0 0 230.311 2.095 10 30 BEEERN N#Cc1c(Br)cncc1OC(F)F ZINC000306286365 359519367 /nfs/dbraw/zinc/51/93/67/359519367.db2.gz WWRPXQCOSVHFQS-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN O=C[C@H]1CC[C@@H](c2ccc(Br)o2)O1 ZINC000306317933 359597104 /nfs/dbraw/zinc/59/71/04/359597104.db2.gz ZPTXMHHGBIBVQQ-RQJHMYQMSA-N 0 0 245.072 2.461 10 30 BEEERN CCO[C@@H](C)C(=O)C#Cc1ccccc1 ZINC000306344271 359663170 /nfs/dbraw/zinc/66/31/70/359663170.db2.gz NEBXDUWRNDKLNN-NSHDSACASA-N 0 0 202.253 2.032 10 30 BEEERN OCCC#Cc1cc(F)c(F)cc1Cl ZINC000231299927 359705994 /nfs/dbraw/zinc/70/59/94/359705994.db2.gz ICMXYLCRYQWXKN-UHFFFAOYSA-N 0 0 216.614 2.352 10 30 BEEERN N#C[C@H](CO)Cc1cccc(Cl)c1F ZINC000228318562 359718035 /nfs/dbraw/zinc/71/80/35/359718035.db2.gz BWIVYXGUEBVBSD-SSDOTTSWSA-N 0 0 213.639 2.154 10 30 BEEERN Cc1cc(C#N)cc(N[C@@H]2CCCC[C@H]2CO)n1 ZINC000231318853 359754314 /nfs/dbraw/zinc/75/43/14/359754314.db2.gz QTLYJYVNJOFHIF-QWHCGFSZSA-N 0 0 245.326 2.225 10 30 BEEERN Cc1cc(C#N)cc(N[C@H]2CCCC[C@H]2CO)n1 ZINC000231318857 359754371 /nfs/dbraw/zinc/75/43/71/359754371.db2.gz QTLYJYVNJOFHIF-STQMWFEESA-N 0 0 245.326 2.225 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1n[nH]c2ccccc12 ZINC000612586175 359899376 /nfs/dbraw/zinc/89/93/76/359899376.db2.gz OZZSOCCHSMBACU-PWSUYJOCSA-N 0 0 240.310 2.345 10 30 BEEERN CC(C)(C#N)CCCN1CCn2ccnc2C1 ZINC000087608716 359921137 /nfs/dbraw/zinc/92/11/37/359921137.db2.gz XUCOTXZMULUFIZ-UHFFFAOYSA-N 0 0 232.331 2.029 10 30 BEEERN C=C(C(F)(F)F)[C@]1(O)CSC[C@@H]1C ZINC000306456742 360047497 /nfs/dbraw/zinc/04/74/97/360047497.db2.gz VKYZEOJGMZVLRX-FSPLSTOPSA-N 0 0 212.236 2.219 10 30 BEEERN C=C(C(F)(F)F)[C@]1(O)CSC[C@H]1C ZINC000306456745 360047590 /nfs/dbraw/zinc/04/75/90/360047590.db2.gz VKYZEOJGMZVLRX-VDTYLAMSSA-N 0 0 212.236 2.219 10 30 BEEERN C[C@H]1CCN(C[C@@H]2CO2)c2ccccc21 ZINC000306459842 360056947 /nfs/dbraw/zinc/05/69/47/360056947.db2.gz BSDQYXAPDDJBIY-WDEREUQCSA-N 0 0 203.285 2.399 10 30 BEEERN C[C@]1(c2ncc(C#N)c(Cl)n2)CCCO1 ZINC000306459912 360057287 /nfs/dbraw/zinc/05/72/87/360057287.db2.gz DZRVFKBJXOIIEC-SNVBAGLBSA-N 0 0 223.663 2.027 10 30 BEEERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000091973408 360138988 /nfs/dbraw/zinc/13/89/88/360138988.db2.gz WYPJNFWAUIMDGB-IJLUTSLNSA-N 0 0 235.331 2.120 10 30 BEEERN Cc1cscc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000094239594 360301272 /nfs/dbraw/zinc/30/12/72/360301272.db2.gz PIVYHBSPXHYSRL-MWLCHTKSSA-N 0 0 234.324 2.479 10 30 BEEERN CC#C[C@H](O)c1ccc(Br)o1 ZINC000306508011 360310145 /nfs/dbraw/zinc/31/01/45/360310145.db2.gz AADAMSLJZKONJK-LURJTMIESA-N 0 0 215.046 2.099 10 30 BEEERN CCC[C@H](OC)[C@@H](C#N)NCc1ccccc1 ZINC000306561025 360437852 /nfs/dbraw/zinc/43/78/52/360437852.db2.gz SLNJACDHOGUXJV-KGLIPLIRSA-N 0 0 232.327 2.483 10 30 BEEERN C[C@@H]1CCN(C2=CC(=O)CC2)CCS1 ZINC000306566004 360444781 /nfs/dbraw/zinc/44/47/81/360444781.db2.gz YHMFISLNSBRVDH-SECBINFHSA-N 0 0 211.330 2.061 10 30 BEEERN c1nn(Cc2ccccc2)cc1[C@H]1CO1 ZINC000306565794 360445022 /nfs/dbraw/zinc/44/50/22/360445022.db2.gz RSGDBBCNDQMSGI-GFCCVEGCSA-N 0 0 200.241 2.003 10 30 BEEERN C[C@H]1C[C@@H](C(=O)CC#CC(C)(C)C)CO1 ZINC000300739098 360423380 /nfs/dbraw/zinc/42/33/80/360423380.db2.gz HZLYDRZHVWAKIZ-WDEREUQCSA-N 0 0 208.301 2.420 10 30 BEEERN CC(C)(C)C#CCC(=O)C1CCOCC1 ZINC000300730223 360423595 /nfs/dbraw/zinc/42/35/95/360423595.db2.gz FKPYETLKJRHXAE-UHFFFAOYSA-N 0 0 208.301 2.422 10 30 BEEERN Cc1ccc(NC2(C#N)CSC2)cc1 ZINC000306584566 360483340 /nfs/dbraw/zinc/48/33/40/360483340.db2.gz 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N#CCc1ccc(F)c(OC(F)(F)F)n1 ZINC000238629307 361167652 /nfs/dbraw/zinc/16/76/52/361167652.db2.gz KWYRHUVKDYQFDH-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#Cc1cc(CF)ncc1OC(F)(F)F ZINC000238688973 361178724 /nfs/dbraw/zinc/17/87/24/361178724.db2.gz ZENNHQHHFXAHQA-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1cncc(OC(F)(F)F)c1CF ZINC000238688394 361178909 /nfs/dbraw/zinc/17/89/09/361178909.db2.gz OQGCNCFFPPDBMD-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1ccc(CF)nc1OC(F)(F)F ZINC000238692012 361180549 /nfs/dbraw/zinc/18/05/49/361180549.db2.gz PFBKIFYTYMVQQZ-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#CCc1ncc(OC(F)(F)F)cc1F ZINC000238612197 361165812 /nfs/dbraw/zinc/16/58/12/361165812.db2.gz SPFXUWHTADAAJO-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN C=CCN(C)c1cc(C)nc(C)c1C#N ZINC000162383988 361348595 /nfs/dbraw/zinc/34/85/95/361348595.db2.gz QXKSHGVCRXNGLH-UHFFFAOYSA-N 0 0 201.273 2.192 10 30 BEEERN N#Cc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000435198410 201256095 /nfs/dbraw/zinc/25/60/95/201256095.db2.gz YHFUREAASMGSQR-ZFWWWQNUSA-N 0 0 242.322 2.421 10 30 BEEERN N#Cc1cc(Cl)nc(OCC(F)F)c1 ZINC000215366036 370705851 /nfs/dbraw/zinc/70/58/51/370705851.db2.gz RAZPDKGITVNCMT-UHFFFAOYSA-N 0 0 218.590 2.251 10 30 BEEERN CCC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C=O ZINC000725269773 541339246 /nfs/dbraw/zinc/33/92/46/541339246.db2.gz QIASKDCOAFWBKE-QWRGUYRKSA-N 0 0 241.331 2.469 10 30 BEEERN CN(Cc1ccccc1)c1nccc(C#N)c1N ZINC000214936577 364349006 /nfs/dbraw/zinc/34/90/06/364349006.db2.gz BACSCIBDKXSLHW-UHFFFAOYSA-N 0 0 238.294 2.172 10 30 BEEERN CC[C@H](NC(=O)[C@@](C)(C#N)CC)C(C)C ZINC000136208036 364466529 /nfs/dbraw/zinc/46/65/29/364466529.db2.gz XDAQHSUADZELLH-CMPLNLGQSA-N 0 0 210.321 2.477 10 30 BEEERN C=C(Br)Cn1nc(C)c(C=O)c1C ZINC000037681915 364514697 /nfs/dbraw/zinc/51/46/97/364514697.db2.gz CGBAIRQMMSEPMC-UHFFFAOYSA-N 0 0 243.104 2.221 10 30 BEEERN C[C@@H](NCc1nccn1C)c1ccc(C#N)cc1 ZINC000037749556 364572338 /nfs/dbraw/zinc/57/23/38/364572338.db2.gz DGWBNHMEKCKEOF-LLVKDONJSA-N 0 0 240.310 2.143 10 30 BEEERN C=CCNC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000022242764 367981484 /nfs/dbraw/zinc/98/14/84/367981484.db2.gz IJKHUTMTUGBVHX-UHFFFAOYSA-N 0 0 245.282 2.262 10 30 BEEERN CN(C)/C=C1/Cc2c(cccc2F)C1=O ZINC000215063467 368302479 /nfs/dbraw/zinc/30/24/79/368302479.db2.gz DYSIYQSFOHHFMN-FPLPWBNLSA-N 0 0 205.232 2.010 10 30 BEEERN O=C1OCc2c1ccc([C@H]1CO1)c2C1CC1 ZINC000113484634 368342087 /nfs/dbraw/zinc/34/20/87/368342087.db2.gz QCAFQNFWAOSVLK-LLVKDONJSA-N 0 0 216.236 2.306 10 30 BEEERN C=C(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000115988926 368343662 /nfs/dbraw/zinc/34/36/62/368343662.db2.gz JZKAVZNTHQRRMS-UHFFFAOYSA-N 0 0 241.268 2.031 10 30 BEEERN CCCc1c2c(ccc1CC=O)C(=O)OC2 ZINC000145915124 368413197 /nfs/dbraw/zinc/41/31/97/368413197.db2.gz INYWPTCIEPYRIX-UHFFFAOYSA-N 0 0 218.252 2.051 10 30 BEEERN C#C[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 ZINC000226072498 368417780 /nfs/dbraw/zinc/41/77/80/368417780.db2.gz BOPXAKHOTACLSF-JTQLQIEISA-N 0 0 239.315 2.034 10 30 BEEERN N#C[C@]1(N)CC[C@@H]2Cc3ccccc3C[C@H]2C1 ZINC000039041625 368407340 /nfs/dbraw/zinc/40/73/40/368407340.db2.gz IPHLCVOSOIZCRN-ILXRZTDVSA-N 0 0 226.323 2.423 10 30 BEEERN CC1(C)OC(=O)[C@H](C#N)[C@H]1c1ccccc1 ZINC000001701128 368685074 /nfs/dbraw/zinc/68/50/74/368685074.db2.gz ZYAXOYUQIOBZSM-GHMZBOCLSA-N 0 0 215.252 2.245 10 30 BEEERN COc1cc(C)c([C@H](C#N)C(C)=O)cc1OC ZINC000084517688 368857041 /nfs/dbraw/zinc/85/70/41/368857041.db2.gz ABBYQJJYMRVQSO-LLVKDONJSA-N 0 0 233.267 2.208 10 30 BEEERN N#Cc1ccc2c(c1)nc(N)c1ncccc21 ZINC000115145438 368975980 /nfs/dbraw/zinc/97/59/80/368975980.db2.gz RXFKRYHTJAYUOE-UHFFFAOYSA-N 0 0 220.235 2.237 10 30 BEEERN C=CC[C@@](O)(C(=O)OCC)c1ccccc1 ZINC000137338737 368993683 /nfs/dbraw/zinc/99/36/83/368993683.db2.gz PQYGGCKREBOITO-ZDUSSCGKSA-N 0 0 220.268 2.013 10 30 BEEERN Cc1nc(Sc2cnc(C#N)cn2)oc1C ZINC000106463776 369117865 /nfs/dbraw/zinc/11/78/65/369117865.db2.gz OFJXEZWDGBBRCM-UHFFFAOYSA-N 0 0 232.268 2.104 10 30 BEEERN O=CCCc1ccc(Br)o1 ZINC000107192410 369335145 /nfs/dbraw/zinc/33/51/45/369335145.db2.gz POZABHCVXMEQKJ-UHFFFAOYSA-N 0 0 203.035 2.174 10 30 BEEERN CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1C#N ZINC000259943590 370957978 /nfs/dbraw/zinc/95/79/78/370957978.db2.gz KVRMCCRLAFHROK-UWVGGRQHSA-N 0 0 208.305 2.231 10 30 BEEERN Cc1cc(C#N)cc(N2C[C@@H]3CCC[C@H]32)n1 ZINC000601120894 369593293 /nfs/dbraw/zinc/59/32/93/369593293.db2.gz LPWHNLIDNVDWCH-NWDGAFQWSA-N 0 0 213.284 2.250 10 30 BEEERN C[C@@H]1CCO[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000601709103 369661907 /nfs/dbraw/zinc/66/19/07/369661907.db2.gz AEQWRUJZESNUNI-PELKAZGASA-N 0 0 248.257 2.061 10 30 BEEERN N#Cc1ncc(-c2ccc(F)c(F)c2)o1 ZINC000409427167 369975419 /nfs/dbraw/zinc/97/54/19/369975419.db2.gz HTJPBLWTHKSECV-UHFFFAOYSA-N 0 0 206.151 2.491 10 30 BEEERN N#Cc1c(F)cccc1N[C@H]1CCC[C@@H](O)C1 ZINC000603865741 369996562 /nfs/dbraw/zinc/99/65/62/369996562.db2.gz OFZTXCZHITXOKG-VHSXEESVSA-N 0 0 234.274 2.413 10 30 BEEERN COc1cc(C#N)c(Br)cc1F ZINC000206886112 370209356 /nfs/dbraw/zinc/20/93/56/370209356.db2.gz WENXFQWHQDBNGL-UHFFFAOYSA-N 0 0 230.036 2.468 10 30 BEEERN Cc1nc(C)c(CN[C@H]2CCCC[C@H]2C#N)o1 ZINC000311831162 370440460 /nfs/dbraw/zinc/44/04/60/370440460.db2.gz LNOZWRNEUZKARE-RYUDHWBXSA-N 0 0 233.315 2.463 10 30 BEEERN ON=Cc1cc(F)ccc1Br ZINC000256080815 370644379 /nfs/dbraw/zinc/64/43/79/370644379.db2.gz SOXOEIXMKVKWQH-UHFFFAOYSA-N 0 0 218.025 2.396 10 30 BEEERN Cc1nnc(CN[C@H]2CCCC[C@H]2C#N)s1 ZINC000391957690 371353845 /nfs/dbraw/zinc/35/38/45/371353845.db2.gz JQDMPHYQGCWDFU-UWVGGRQHSA-N 0 0 236.344 2.019 10 30 BEEERN N#CC1([C@@H](O)c2cncs2)CCCC1 ZINC000161757987 371559953 /nfs/dbraw/zinc/55/99/53/371559953.db2.gz CVKNVELTBCZJHP-VIFPVBQESA-N 0 0 208.286 2.260 10 30 BEEERN C[C@H]1C[C@H]1Nc1cc(C#N)cc(Cl)n1 ZINC000215568196 371581934 /nfs/dbraw/zinc/58/19/34/371581934.db2.gz SRCWFZHRBNZPAS-POYBYMJQSA-N 0 0 207.664 2.427 10 30 BEEERN C=C[C@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C ZINC000299817473 371582534 /nfs/dbraw/zinc/58/25/34/371582534.db2.gz DVAGTAGGEQOKJU-HYFYGGESSA-N 0 0 248.322 2.233 10 30 biogenic BEEERN C#CCN[C@@H](C)c1ccc(Br)o1 ZINC000131602287 371631450 /nfs/dbraw/zinc/63/14/50/371631450.db2.gz VSXNGBKIWJDTLY-ZETCQYMHSA-N 0 0 228.089 2.326 10 30 BEEERN C#C[C@@H](CC)Nc1cc(Br)ncn1 ZINC000230020346 371637307 /nfs/dbraw/zinc/63/73/07/371637307.db2.gz LSZYDBKASRRTMS-ZETCQYMHSA-N 0 0 240.104 2.063 10 30 BEEERN CCOc1cc(CC#N)c(OC)cc1OC ZINC000216146245 371706850 /nfs/dbraw/zinc/70/68/50/371706850.db2.gz VADRYRAGCTYLJQ-UHFFFAOYSA-N 0 0 221.256 2.169 10 30 BEEERN N#Cc1cccc(CC(F)(F)F)c1N ZINC000131869907 371699851 /nfs/dbraw/zinc/69/98/51/371699851.db2.gz NXYPPDXRRLKDTI-UHFFFAOYSA-N 0 0 200.163 2.245 10 30 BEEERN C[C@@H](S[C@@H]1CCC[C@@H](C)C1)/C(N)=N\O ZINC000226969447 371762920 /nfs/dbraw/zinc/76/29/20/371762920.db2.gz WIHYKKZPYNFNEC-IWSPIJDZSA-N 0 0 216.350 2.433 10 30 BEEERN C=C(Cl)CNC(=O)C(C)(C)Br ZINC000162862655 371871769 /nfs/dbraw/zinc/87/17/69/371871769.db2.gz ATYCMMWLEVJHNM-UHFFFAOYSA-N 0 0 240.528 2.029 10 30 BEEERN C[C@@H](CO)Sc1cc(F)cc(C#N)c1 ZINC000227639716 371911078 /nfs/dbraw/zinc/91/10/78/371911078.db2.gz UOMLWXSOCVNICV-ZETCQYMHSA-N 0 0 211.261 2.170 10 30 BEEERN N#C[C@]1(c2cccc(Cl)c2)C[C@H]1CO ZINC000132779951 371921896 /nfs/dbraw/zinc/92/18/96/371921896.db2.gz KBVXJBGNIHRAAH-ONGXEEELSA-N 0 0 207.660 2.114 10 30 BEEERN N#C[C@@]1(Sc2ccccc2)C[C@H]1CO ZINC000132798518 371923716 /nfs/dbraw/zinc/92/37/16/371923716.db2.gz GCWZGYRIXDYNOM-ONGXEEELSA-N 0 0 205.282 2.053 10 30 BEEERN N#Cc1cc(OC(F)F)ncc1Br ZINC000306155557 371992975 /nfs/dbraw/zinc/99/29/75/371992975.db2.gz AGHQOLUEKGLEAO-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN C#CCCNc1ncc(Br)s1 ZINC000306436466 372020360 /nfs/dbraw/zinc/02/03/60/372020360.db2.gz DFZGVDOEMJDIIY-UHFFFAOYSA-N 0 0 231.118 2.341 10 30 BEEERN N#CCc1ccc(O)c(F)c1Br ZINC000306269604 372004768 /nfs/dbraw/zinc/00/47/68/372004768.db2.gz MNVLJPJPFPHMBJ-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN C=CC(=O)c1ccc(Br)cn1 ZINC000163558512 372012838 /nfs/dbraw/zinc/01/28/38/372012838.db2.gz LUEXPWZPFFCAHH-UHFFFAOYSA-N 0 0 212.046 2.213 10 30 BEEERN Cc1cnc([C@H](C)Nc2cccnc2C#N)o1 ZINC000231745086 372074202 /nfs/dbraw/zinc/07/42/02/372074202.db2.gz ZYFQSVXQXFKAQC-VIFPVBQESA-N 0 0 228.255 2.423 10 30 BEEERN C#CC[C@H](C)Nc1nccc(SC)n1 ZINC000306883839 372074269 /nfs/dbraw/zinc/07/42/69/372074269.db2.gz PLUURFWJMYUCEQ-QMMMGPOBSA-N 0 0 207.302 2.022 10 30 BEEERN N#Cc1cc(F)c(F)c(OC(F)F)c1 ZINC000306902655 372077595 /nfs/dbraw/zinc/07/75/95/372077595.db2.gz RBWCHECAJOJBFB-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN CC(C)Oc1ccc(NN=C(C#N)C#N)cc1 ZINC000606302993 372092247 /nfs/dbraw/zinc/09/22/47/372092247.db2.gz LZPTVYYPIKEBPF-UHFFFAOYSA-N 0 0 228.255 2.289 10 30 BEEERN C=C(Br)Cn1ccc(Cl)n1 ZINC000307180375 372094957 /nfs/dbraw/zinc/09/49/57/372094957.db2.gz ODUHFPAEBAOXAV-UHFFFAOYSA-N 0 0 221.485 2.445 10 30 BEEERN C=C[C@@H](C)Nc1nc(C)nc(Cl)c1C=O ZINC000229319234 372140988 /nfs/dbraw/zinc/14/09/88/372140988.db2.gz XPYNGEBADWXMOI-ZCFIWIBFSA-N 0 0 225.679 2.237 10 30 BEEERN CCCC(=NNC(N)=S)c1ccccc1 ZINC000004066429 372128670 /nfs/dbraw/zinc/12/86/70/372128670.db2.gz XLFMAYGTDUEOFM-UHFFFAOYSA-N 0 0 221.329 2.024 10 30 BEEERN Brc1ccc(C[C@@H]2CO2)cc1 ZINC000038235108 372523831 /nfs/dbraw/zinc/52/38/31/372523831.db2.gz OWSUCIGLIXNPJE-SECBINFHSA-N 0 0 213.074 2.390 10 30 BEEERN Brc1ccc(C[C@H]2CO2)cc1 ZINC000038235110 372524114 /nfs/dbraw/zinc/52/41/14/372524114.db2.gz OWSUCIGLIXNPJE-VIFPVBQESA-N 0 0 213.074 2.390 10 30 BEEERN CC(C)[C@H]1C[C@]2(CCO1)CC(=O)C=CO2 ZINC000069900105 373973421 /nfs/dbraw/zinc/97/34/21/373973421.db2.gz CLVNEBYPXFDVOA-NEPJUHHUSA-N 0 0 210.273 2.063 10 30 BEEERN CCC[C@H]1C[C@@]2(CCO1)CC(=O)C=CO2 ZINC000069900163 373973541 /nfs/dbraw/zinc/97/35/41/373973541.db2.gz SRRSSVGQQGANGO-NWDGAFQWSA-N 0 0 210.273 2.207 10 30 BEEERN CCC[C@@H]1C[C@]2(CCO1)CC(=O)C=CO2 ZINC000069900169 373973934 /nfs/dbraw/zinc/97/39/34/373973934.db2.gz SRRSSVGQQGANGO-NEPJUHHUSA-N 0 0 210.273 2.207 10 30 BEEERN Nc1ccc(C(=O)C2=CCCC2)c(N)c1 ZINC000070671454 374171999 /nfs/dbraw/zinc/17/19/99/374171999.db2.gz GGVAXZDXZJDIDS-UHFFFAOYSA-N 0 0 202.257 2.144 10 30 BEEERN C=CC1CCN(Cc2nnc(C)n2CC)CC1 ZINC000171953485 206004344 /nfs/dbraw/zinc/00/43/44/206004344.db2.gz UIMIJWOPUYNYDM-UHFFFAOYSA-N 0 0 234.347 2.004 10 30 BEEERN O=C1CCc2cc(CCS)ccc2N1 ZINC000071510581 182756197 /nfs/dbraw/zinc/75/61/97/182756197.db2.gz TURXAGKJTARMPV-UHFFFAOYSA-N 0 0 207.298 2.044 10 30 BEEERN CCCCOCCOc1ccc(C#N)cn1 ZINC000020513972 168904723 /nfs/dbraw/zinc/90/47/23/168904723.db2.gz IUGIPBDHCSVFFN-UHFFFAOYSA-N 0 0 220.272 2.149 10 30 BEEERN O=CCCOc1ccc(Br)cc1 ZINC000019776806 182850148 /nfs/dbraw/zinc/85/01/48/182850148.db2.gz BNIGLJVIARKJBN-UHFFFAOYSA-N 0 0 229.073 2.417 10 30 BEEERN OCCC#Cc1cc(F)ccc1OCC1CC1 ZINC000037544430 183040921 /nfs/dbraw/zinc/04/09/21/183040921.db2.gz DKYRZDMISFMTLK-UHFFFAOYSA-N 0 0 234.270 2.348 10 30 BEEERN OCCC#Cc1cccc(COC2CCC2)c1 ZINC000050521164 183042939 /nfs/dbraw/zinc/04/29/39/183042939.db2.gz FNPQWRIKBSSYCW-UHFFFAOYSA-N 0 0 230.307 2.490 10 30 BEEERN OCC#Cc1ccc(COCC2CC2)c(F)c1 ZINC000049621317 183032601 /nfs/dbraw/zinc/03/26/01/183032601.db2.gz RCEGGYSOPVCWAO-UHFFFAOYSA-N 0 0 234.270 2.096 10 30 BEEERN O[C@H](C(F)(F)F)C(F)(F)C(F)(F)F ZINC000100095687 183218151 /nfs/dbraw/zinc/21/81/51/183218151.db2.gz ZVXAXABPTOPGDK-SFOWXEAESA-N 0 0 218.043 2.107 10 30 BEEERN CCCN(CC)c1ccc(C#N)cc1N ZINC000035674678 169133048 /nfs/dbraw/zinc/13/30/48/169133048.db2.gz SAUKDMGXAGQJCU-UHFFFAOYSA-N 0 0 203.289 2.377 10 30 BEEERN SCc1csc(Br)n1 ZINC000095078990 183315859 /nfs/dbraw/zinc/31/58/59/183315859.db2.gz RARSMDFEZQPGMA-UHFFFAOYSA-N 0 0 210.121 2.335 10 30 BEEERN c1c[nH]c(-c2ccccc2OC[C@@H]2CO2)c1 ZINC000034143581 183323510 /nfs/dbraw/zinc/32/35/10/183323510.db2.gz SSABLTSPOQCSNJ-JTQLQIEISA-N 0 0 215.252 2.459 10 30 BEEERN CCCNC(=O)CSCc1ccccc1C#N ZINC000058240433 169231440 /nfs/dbraw/zinc/23/14/40/169231440.db2.gz FRVOWDOKJBKQGY-UHFFFAOYSA-N 0 0 248.351 2.318 10 30 BEEERN c1nc2cccc(OC[C@H]3CO3)c2s1 ZINC000045236995 183358441 /nfs/dbraw/zinc/35/84/41/183358441.db2.gz BNEGKKSHTBJBKC-SSDOTTSWSA-N 0 0 207.254 2.074 10 30 BEEERN CCCNC(=O)[C@H](C)Nc1cc(C#N)ccc1C ZINC000050430318 169247702 /nfs/dbraw/zinc/24/77/02/169247702.db2.gz WFURPPSIMNKEGK-NSHDSACASA-N 0 0 245.326 2.193 10 30 BEEERN CCCN[C@H](C#N)c1ccc(OC)c(OC)c1 ZINC000020175466 169284289 /nfs/dbraw/zinc/28/42/89/169284289.db2.gz GMUTXPZMEYYHQY-LLVKDONJSA-N 0 0 234.299 2.268 10 30 BEEERN CCCN[C@@H](C#N)c1ccc(OC)cc1OC ZINC000020175969 169274006 /nfs/dbraw/zinc/27/40/06/169274006.db2.gz VTHVGAMOLONRKJ-LBPRGKRZSA-N 0 0 234.299 2.268 10 30 BEEERN CCCN[C@@H](C#N)c1cnn(-c2ccccc2)c1 ZINC000020380275 169274007 /nfs/dbraw/zinc/27/40/07/169274007.db2.gz FPIJFZYSMFQADO-AWEZNQCLSA-N 0 0 240.310 2.437 10 30 BEEERN CCCN[C@H](C#N)c1cccc(OC)c1OC ZINC000020176881 169283618 /nfs/dbraw/zinc/28/36/18/169283618.db2.gz BJONCXUFJXRZSL-LLVKDONJSA-N 0 0 234.299 2.268 10 30 BEEERN CCCN[C@H](C#N)c1ccc(OC)cc1 ZINC000020173442 169283660 /nfs/dbraw/zinc/28/36/60/169283660.db2.gz YHIWWKGTLPUFOV-GFCCVEGCSA-N 0 0 204.273 2.259 10 30 BEEERN CCCOCCOc1cccc(C#CCCO)c1 ZINC000049621817 169310115 /nfs/dbraw/zinc/31/01/15/169310115.db2.gz BPHGXVLCYQAZLP-UHFFFAOYSA-N 0 0 248.322 2.226 10 30 BEEERN CCCN[C@](C)(C#N)Cn1ncc2ccccc21 ZINC000050527847 169292860 /nfs/dbraw/zinc/29/28/60/169292860.db2.gz PGHHJISHJWMFJL-CQSZACIVSA-N 0 0 242.326 2.318 10 30 BEEERN CCCSc1ccc(/C(N)=N/O)cc1 ZINC000019870286 169340989 /nfs/dbraw/zinc/34/09/89/169340989.db2.gz FMRMHAAHRJAOLH-UHFFFAOYSA-N 0 0 210.302 2.283 10 30 BEEERN CCCOc1ccc(OC[C@H]2CO2)cc1 ZINC000034957293 169320804 /nfs/dbraw/zinc/32/08/04/169320804.db2.gz GUZXNTWZQHTMJJ-LBPRGKRZSA-N 0 0 208.257 2.253 10 30 BEEERN CCCOc1cccc([C@@H](C#N)NCCOC)c1 ZINC000020176663 169325878 /nfs/dbraw/zinc/32/58/78/169325878.db2.gz BITKNJTWXLEUEY-CQSZACIVSA-N 0 0 248.326 2.276 10 30 BEEERN CCCOc1ccccc1OCC[C@H](N)C#N ZINC000062443584 169327734 /nfs/dbraw/zinc/32/77/34/169327734.db2.gz ITKOWZXJUNNUGT-NSHDSACASA-N 0 0 234.299 2.095 10 30 BEEERN CCC[C@H]1C[C@@H]1Nc1nc(C)cc(C#N)n1 ZINC000233444744 169534431 /nfs/dbraw/zinc/53/44/31/169534431.db2.gz VJUREKSLVHMZMT-ONGXEEELSA-N 0 0 216.288 2.257 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)o1 ZINC000225121387 134351084 /nfs/dbraw/zinc/35/10/84/134351084.db2.gz KHEUUJMZDIPGSQ-YUMQZZPRSA-N 0 0 238.674 2.355 10 30 BEEERN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C#N ZINC000068592081 384003374 /nfs/dbraw/zinc/00/33/74/384003374.db2.gz DFZYOAIWAGMKET-DTWKUNHWSA-N 0 0 240.303 2.270 10 30 BEEERN COC[C@@H](C)C(=O)Nc1cccc(C#N)c1C ZINC000178625544 384104746 /nfs/dbraw/zinc/10/47/46/384104746.db2.gz MXKQPUDVCRFVDL-SECBINFHSA-N 0 0 232.283 2.088 10 30 BEEERN COC(=O)c1cnc(C#C[Si](C)(C)C)s1 ZINC000222953686 384140009 /nfs/dbraw/zinc/14/00/09/384140009.db2.gz HADLQMKCGSCMEH-UHFFFAOYSA-N 0 0 239.372 2.159 10 30 BEEERN O=C(CCS)Nc1cccc(F)c1F ZINC000236170584 384200996 /nfs/dbraw/zinc/20/09/96/384200996.db2.gz KJJCCJZXRUHFSQ-UHFFFAOYSA-N 0 0 217.240 2.223 10 30 BEEERN CCC[C@@H]1C[C@H]1Nc1ccc(C#N)c(C)n1 ZINC000336671270 384248380 /nfs/dbraw/zinc/24/83/80/384248380.db2.gz SDTMTOWTIJVFHR-ZYHUDNBSSA-N 0 0 215.300 2.284 10 30 BEEERN CCC[C@@H]1C[C@@H]1Nc1ccc(C#N)c(C)n1 ZINC000336671268 384251677 /nfs/dbraw/zinc/25/16/77/384251677.db2.gz SDTMTOWTIJVFHR-PWSUYJOCSA-N 0 0 215.300 2.284 10 30 BEEERN CC(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408241399 384317578 /nfs/dbraw/zinc/31/75/78/384317578.db2.gz WFUUOPCTXSQFGP-SDDRHHMPSA-N 0 0 222.332 2.477 10 30 BEEERN CC[C@H](C#N)Sc1nnnn1-c1ccccc1 ZINC000043557572 384284183 /nfs/dbraw/zinc/28/41/83/384284183.db2.gz WVVREPOQRORWFE-SNVBAGLBSA-N 0 0 245.311 2.057 10 30 BEEERN C[C@H](C#N)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC000335450008 384284433 /nfs/dbraw/zinc/28/44/33/384284433.db2.gz LPSYMJIWYIRFNN-BDAKNGLRSA-N 0 0 230.258 2.182 10 30 BEEERN O/N=C\c1c(F)c(F)c(F)c(F)c1F ZINC000100237442 384296941 /nfs/dbraw/zinc/29/69/41/384296941.db2.gz BLPMMKRVLZHPJP-ATVWYZQASA-N 0 0 211.089 2.190 10 30 BEEERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(CC#N)cc1 ZINC000076033697 384353652 /nfs/dbraw/zinc/35/36/52/384353652.db2.gz BHSODCUVRAKAOR-JOYOIKCWSA-N 0 0 229.283 2.283 10 30 BEEERN CC(C)(C)OC(=O)N1CC(CCS)C1 ZINC000095083020 384360381 /nfs/dbraw/zinc/36/03/81/384360381.db2.gz NSCOXZAMCRKDFX-UHFFFAOYSA-N 0 0 217.334 2.173 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1sccc1F ZINC000335570619 384333840 /nfs/dbraw/zinc/33/38/40/384333840.db2.gz VQHGSKUOKXSMLN-IONNQARKSA-N 0 0 238.287 2.309 10 30 BEEERN N#CCc1c(F)c([N+](=O)[O-])ccc1OC(F)F ZINC000575661414 384415798 /nfs/dbraw/zinc/41/57/98/384415798.db2.gz JYWFTSREJXCYTO-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN Cc1cc(C=O)c(CC#N)c(OC(F)F)c1 ZINC000575661452 384418978 /nfs/dbraw/zinc/41/89/78/384418978.db2.gz KNRYNEUXCVTIET-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN COc1cc(CC#N)c(O)cc1OC(F)F ZINC000575662749 384423451 /nfs/dbraw/zinc/42/34/51/384423451.db2.gz GQDSTRGTGKVHTC-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN CC(C)[C@H](C)CC(=O)Nc1ccn(CCC#N)n1 ZINC000117712694 384376198 /nfs/dbraw/zinc/37/61/98/384376198.db2.gz BHOZJXWQGYCMIP-LLVKDONJSA-N 0 0 248.330 2.417 10 30 BEEERN C[C@H](C#N)N1CC[C@H](c2ccccc2)C1 ZINC000050599284 384387219 /nfs/dbraw/zinc/38/72/19/384387219.db2.gz KHTCOYXDROKQHV-YPMHNXCESA-N 0 0 200.285 2.388 10 30 BEEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)C1CC1 ZINC000235540384 384431814 /nfs/dbraw/zinc/43/18/14/384431814.db2.gz WIGKVYRXQGERFL-ZETCQYMHSA-N 0 0 232.243 2.072 10 30 BEEERN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)C1CCC1 ZINC000235540402 384433550 /nfs/dbraw/zinc/43/35/50/384433550.db2.gz YXKQLFGAWDVZRL-QMMMGPOBSA-N 0 0 246.270 2.462 10 30 BEEERN C#CCCCCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000236409713 384457130 /nfs/dbraw/zinc/45/71/30/384457130.db2.gz DTMJJUQJCPVYRD-UHFFFAOYSA-N 0 0 244.254 2.077 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235612923 384476224 /nfs/dbraw/zinc/47/62/24/384476224.db2.gz UQJXSILASPSPAL-PHDIDXHHSA-N 0 0 243.719 2.257 10 30 BEEERN Cc1c([N+](=O)[O-])cc(C#N)c(Cl)c1[N+](=O)[O-] ZINC000098177614 384498857 /nfs/dbraw/zinc/49/88/57/384498857.db2.gz BCGOKFIDBIDPKZ-UHFFFAOYSA-N 0 0 241.590 2.337 10 30 BEEERN CCN(CC)c1c(C)c(C)c(C#N)nc1C#N ZINC000098178446 384502263 /nfs/dbraw/zinc/50/22/63/384502263.db2.gz PLUJIDKQUPLJCJ-UHFFFAOYSA-N 0 0 228.299 2.288 10 30 BEEERN C=CCC(CC=C)C(=O)NCCn1cc(C)cn1 ZINC000150728461 384503284 /nfs/dbraw/zinc/50/32/84/384503284.db2.gz GFXXROOYRYTBQI-UHFFFAOYSA-N 0 0 247.342 2.076 10 30 BEEERN CCOc1cc2c(cc1/C=N\O)O[C@H](C)C2 ZINC000100220129 384623993 /nfs/dbraw/zinc/62/39/93/384623993.db2.gz IVJSJHXRGCWOBV-CWWTZMIASA-N 0 0 221.256 2.217 10 30 BEEERN C[C@H]1CSC[C@@]1(O)c1cccc(C#N)c1 ZINC000521401849 384629263 /nfs/dbraw/zinc/62/92/63/384629263.db2.gz RKFMWIDPXFEFDD-CABZTGNLSA-N 0 0 219.309 2.129 10 30 BEEERN CCOc1cc(OC)cc(CC#N)c1OC ZINC000575696302 384668815 /nfs/dbraw/zinc/66/88/15/384668815.db2.gz NCWAHRNRZQQFQK-UHFFFAOYSA-N 0 0 221.256 2.169 10 30 BEEERN O/N=C\c1cc(Br)ccc1F ZINC000100474388 384643562 /nfs/dbraw/zinc/64/35/62/384643562.db2.gz JXINJMATTXHEET-WMZJFQQLSA-N 0 0 218.025 2.396 10 30 BEEERN COc1c(O)ccc(CC#N)c1Br ZINC000575693326 384653230 /nfs/dbraw/zinc/65/32/30/384653230.db2.gz YKGFEIUHTPAFAT-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN CCOC[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000044726008 384662103 /nfs/dbraw/zinc/66/21/03/384662103.db2.gz HDACUWNCLHBDFT-VIFPVBQESA-N 0 0 249.270 2.303 10 30 BEEERN CCOc1cc([N+](=O)[O-])cc(F)c1CC#N ZINC000575697945 384687986 /nfs/dbraw/zinc/68/79/86/384687986.db2.gz TYBVKJISMFHMBC-UHFFFAOYSA-N 0 0 224.191 2.199 10 30 BEEERN CCOc1cc([N+](=O)[O-])cc(CC#N)c1C ZINC000575698755 384709692 /nfs/dbraw/zinc/70/96/92/384709692.db2.gz INVDBULZOJRSQK-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN N#Cc1ccc(NCC2CC(O)C2)cc1Cl ZINC000084448835 384712466 /nfs/dbraw/zinc/71/24/66/384712466.db2.gz DHSBQNQGQSHETE-UHFFFAOYSA-N 0 0 236.702 2.394 10 30 BEEERN N#CCc1cc(F)cc(N)c1OC(F)F ZINC000575716942 384880343 /nfs/dbraw/zinc/88/03/43/384880343.db2.gz YSRRRRQERQIIFH-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN COC(=O)c1cccc2c(C#N)c(Cl)[nH]c21 ZINC000071973925 384887799 /nfs/dbraw/zinc/88/77/99/384887799.db2.gz VLUWOGUCOVJSDH-UHFFFAOYSA-N 0 0 234.642 2.480 10 30 BEEERN CCOc1ccc2c(c1)c(=O)ccn2CCC#N ZINC000072237258 384841300 /nfs/dbraw/zinc/84/13/00/384841300.db2.gz GBZJLYIGTQSEEC-UHFFFAOYSA-N 0 0 242.278 2.314 10 30 BEEERN N#Cc1cccc(C[N@H+]2CCCC[C@@H](CO)C2)c1 ZINC000363357555 384842577 /nfs/dbraw/zinc/84/25/77/384842577.db2.gz ZVQQTVMKFZGGIK-OAHLLOKOSA-N 0 0 244.338 2.153 10 30 BEEERN Cc1ccc2c(ncc(C#N)c2OCCO)c1C ZINC000072237029 384843091 /nfs/dbraw/zinc/84/30/91/384843091.db2.gz LQFWTMLFJOGUQY-UHFFFAOYSA-N 0 0 242.278 2.094 10 30 BEEERN CC[C@H](CCO)Nc1cc(C)nc(C)c1C#N ZINC000158082966 384845692 /nfs/dbraw/zinc/84/56/92/384845692.db2.gz ABGIOYHKSHYVLA-LLVKDONJSA-N 0 0 233.315 2.143 10 30 BEEERN N#Cc1ccc(NCCC2=CCOCC2)nc1 ZINC000158084372 384853840 /nfs/dbraw/zinc/85/38/40/384853840.db2.gz UEMPSLVYCNTCLK-UHFFFAOYSA-N 0 0 229.283 2.102 10 30 BEEERN N#CCc1cc(F)cc(N)c1Br ZINC000575713804 384857172 /nfs/dbraw/zinc/85/71/72/384857172.db2.gz DIHOQQQKOWOIPB-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN COc1ccc(CC#N)c(N)c1Br ZINC000575714131 384863457 /nfs/dbraw/zinc/86/34/57/384863457.db2.gz CDEWZQNUMNUVDQ-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN CCCc1nnc(NC[C@H](C)C#N)s1 ZINC000302059291 384960135 /nfs/dbraw/zinc/96/01/35/384960135.db2.gz SBFAROIHVKYPSY-SSDOTTSWSA-N 0 0 210.306 2.062 10 30 BEEERN CCN(Cc1ccccc1)C(=O)C1(C#N)CC1 ZINC000156841717 384965748 /nfs/dbraw/zinc/96/57/48/384965748.db2.gz CNFGTDGQJRRHBP-UHFFFAOYSA-N 0 0 228.295 2.339 10 30 BEEERN Cc1cc(C#N)cc(N[C@H]2CCO[C@@H]2C2CC2)n1 ZINC000235970821 385002307 /nfs/dbraw/zinc/00/23/07/385002307.db2.gz BQGYHHMRXOGGAQ-GXTWGEPZSA-N 0 0 243.310 2.241 10 30 BEEERN CCOC[C@H](C)Nc1ccc(C#N)cc1 ZINC000044726122 385224803 /nfs/dbraw/zinc/22/48/03/385224803.db2.gz RWZUNPKPCVIBDF-JTQLQIEISA-N 0 0 204.273 2.395 10 30 BEEERN CCOC[C@@H](C)Nc1ccc(C#N)cc1 ZINC000044726121 385225269 /nfs/dbraw/zinc/22/52/69/385225269.db2.gz RWZUNPKPCVIBDF-SNVBAGLBSA-N 0 0 204.273 2.395 10 30 BEEERN CC(C)c1csc(NC(=O)[C@@H](C)C#N)n1 ZINC000044825423 385229121 /nfs/dbraw/zinc/22/91/21/385229121.db2.gz JPZXGQCAJBDMOU-ZETCQYMHSA-N 0 0 223.301 2.365 10 30 BEEERN CCn1nc(C)c(CN[C@@H]2CCC[C@H]2C#N)c1C ZINC000307970603 385368093 /nfs/dbraw/zinc/36/80/93/385368093.db2.gz HCYJAFJQKLMPOH-GXTWGEPZSA-N 0 0 246.358 2.302 10 30 BEEERN Cc1occc1CN[C@H]1CCC[C@H]1C#N ZINC000309074927 385405192 /nfs/dbraw/zinc/40/51/92/385405192.db2.gz JAMPZQBJPJYEAR-JQWIXIFHSA-N 0 0 204.273 2.370 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181505341 385414202 /nfs/dbraw/zinc/41/42/02/385414202.db2.gz FUHUAPIQUPGQQJ-MFKMUULPSA-N 0 0 240.306 2.380 10 30 BEEERN Cc1cnc([C@@H](C)Nc2cnc(C#N)cn2)s1 ZINC000128491950 385571473 /nfs/dbraw/zinc/57/14/73/385571473.db2.gz XJOAHDQVVIAIPB-MRVPVSSYSA-N 0 0 245.311 2.286 10 30 BEEERN CCc1cc(N[C@H]2CCC[C@@H]2C#N)nc(C)n1 ZINC000408173028 385605689 /nfs/dbraw/zinc/60/56/89/385605689.db2.gz DPWMAWKOGRDCDX-PWSUYJOCSA-N 0 0 230.315 2.452 10 30 BEEERN Cc1nc(CN[C@H]2CCC[C@H]2C#N)cs1 ZINC000054826252 385664602 /nfs/dbraw/zinc/66/46/02/385664602.db2.gz RMEVRALEXIFYOG-ONGXEEELSA-N 0 0 221.329 2.233 10 30 BEEERN O=C1C=C(c2ccoc2)N2CCC[C@H]2C1 ZINC000061948151 385753035 /nfs/dbraw/zinc/75/30/35/385753035.db2.gz HATAHJMAFIEQGW-JTQLQIEISA-N 0 0 203.241 2.058 10 30 BEEERN CCC1CCC(NC(=O)NC[C@H](C)C#N)CC1 ZINC000182592568 385878576 /nfs/dbraw/zinc/87/85/76/385878576.db2.gz ZVDCRYLDMAEPNE-VOMCLLRMSA-N 0 0 237.347 2.414 10 30 BEEERN CC(C)(NC(=O)C#CBr)C1CCC1 ZINC000307132073 385937876 /nfs/dbraw/zinc/93/78/76/385937876.db2.gz HHZHRYBNNIAETL-UHFFFAOYSA-N 0 0 244.132 2.037 10 30 BEEERN CCOC(=O)c1cc(C#N)c(C)cc1C ZINC000261261784 386017746 /nfs/dbraw/zinc/01/77/46/386017746.db2.gz FNOVTHDBTATOTI-UHFFFAOYSA-N 0 0 203.241 2.352 10 30 BEEERN CCOC(=O)c1cc(C)c(C)c(C#N)c1 ZINC000261312324 386019441 /nfs/dbraw/zinc/01/94/41/386019441.db2.gz XQKCAGOZUILVPL-UHFFFAOYSA-N 0 0 203.241 2.352 10 30 BEEERN CSC1([C@@H](C#N)N2CCCC2)CCC1 ZINC000307713786 386068384 /nfs/dbraw/zinc/06/83/84/386068384.db2.gz CKMYJOARJLKANE-SNVBAGLBSA-N 0 0 210.346 2.260 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1Cl ZINC000334465879 386126319 /nfs/dbraw/zinc/12/63/19/386126319.db2.gz CWFNNARUMMUINR-WPRPVWTQSA-N 0 0 249.701 2.157 10 30 BEEERN CCC1CCC(NC(=O)NCCC#N)CC1 ZINC000408369257 386427840 /nfs/dbraw/zinc/42/78/40/386427840.db2.gz UMPUHIXDZGKMPJ-UHFFFAOYSA-N 0 0 223.320 2.168 10 30 BEEERN Cc1ccc(CN[C@@H]2CCC[C@H]2C#N)cn1 ZINC000062053076 386491522 /nfs/dbraw/zinc/49/15/22/386491522.db2.gz JJVYVPMVPMHTTA-QWHCGFSZSA-N 0 0 215.300 2.172 10 30 BEEERN NC(=NO)c1nccc2c(F)c(Cl)ccc21 ZINC000521401344 386457225 /nfs/dbraw/zinc/45/72/25/386457225.db2.gz NQIBUQTZIHNURX-UHFFFAOYSA-N 0 0 239.637 2.122 10 30 BEEERN CCOc1cc(CC#N)c(C#N)c(OC)c1 ZINC000575644292 386585196 /nfs/dbraw/zinc/58/51/96/386585196.db2.gz BRNZLGAMHRMMIT-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN N#CCc1c(F)cncc1C(F)(F)F ZINC000307408211 386635736 /nfs/dbraw/zinc/63/57/36/386635736.db2.gz OMMUJUOKNRULEE-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000328972579 386665259 /nfs/dbraw/zinc/66/52/59/386665259.db2.gz PDNHTCINZPQZLA-KKZNHRDASA-N 0 0 248.330 2.055 10 30 BEEERN COC(=O)c1ccc(C#N)c(OC)c1C(F)F ZINC000575343552 386690647 /nfs/dbraw/zinc/69/06/47/386690647.db2.gz HTSCNNYPQBYOEG-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1c(C#N)cc(C(F)F)cc1OC ZINC000575343503 386690756 /nfs/dbraw/zinc/69/07/56/386690756.db2.gz AJYCBKQMFKVUCF-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1c(C#N)ccc(OC)c1C(F)F ZINC000575343617 386690956 /nfs/dbraw/zinc/69/09/56/386690956.db2.gz QNGSUSZHENRNQI-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN CCOC(=O)Cc1cc(F)c(C#N)cc1CC ZINC000575344423 386691267 /nfs/dbraw/zinc/69/12/67/386691267.db2.gz AYBVWIRUCPCVNN-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN COC(=O)Cc1cc(C#N)cc(C(F)(F)F)c1 ZINC000575345375 386712178 /nfs/dbraw/zinc/71/21/78/386712178.db2.gz YJOHXFDJFJKHOW-UHFFFAOYSA-N 0 0 243.184 2.293 10 30 BEEERN CN[C@@H](C#N)c1cscc1Br ZINC000307570593 386732870 /nfs/dbraw/zinc/73/28/70/386732870.db2.gz DNCZBHLDYBOWOR-ZETCQYMHSA-N 0 0 231.118 2.295 10 30 BEEERN COC(=O)CCCC(=O)c1cccc(C#N)c1 ZINC000575361882 386766074 /nfs/dbraw/zinc/76/60/74/386766074.db2.gz PTFHNTZZHXMUDV-UHFFFAOYSA-N 0 0 231.251 2.084 10 30 BEEERN COC(=O)CCCCC(=O)C#Cc1ccccc1 ZINC000575362676 386772311 /nfs/dbraw/zinc/77/23/11/386772311.db2.gz XWEPQANCOBAEFW-UHFFFAOYSA-N 0 0 244.290 2.341 10 30 BEEERN C=CCOc1ccc(N)cc1C(=O)NCC(C)C ZINC000003627178 386777211 /nfs/dbraw/zinc/77/72/11/386777211.db2.gz KGFLENIUFAVWPP-UHFFFAOYSA-N 0 0 248.326 2.219 10 30 BEEERN COC(=O)c1c(F)ccc(OC(F)F)c1C#N ZINC000575385778 386947879 /nfs/dbraw/zinc/94/78/79/386947879.db2.gz KSUDLKMKPUIGCI-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)c1cc(C#N)cc(C(F)F)c1C=O ZINC000575389335 386952755 /nfs/dbraw/zinc/95/27/55/386952755.db2.gz AACPDJUYNZNBRU-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN CCOC(=O)c1c([N+](=O)[O-])ccc(C#N)c1CC ZINC000575388806 386952763 /nfs/dbraw/zinc/95/27/63/386952763.db2.gz GRBNJTJUBPNSKA-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOC(=O)c1ccc([N+](=O)[O-])c(C#N)c1CC ZINC000575389071 386952991 /nfs/dbraw/zinc/95/29/91/386952991.db2.gz VTIDFERSIZOETC-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOC(=O)c1cc(CC)c(C#N)c([N+](=O)[O-])c1 ZINC000575388883 386953338 /nfs/dbraw/zinc/95/33/38/386953338.db2.gz HPIKAKZSCLUOIU-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN COC(=O)Cc1c(C#N)cc(F)cc1C(F)F ZINC000575389931 386954103 /nfs/dbraw/zinc/95/41/03/386954103.db2.gz UZTBEQSDDJUZIA-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN COC(=O)Cc1c(F)ccc(C#N)c1C(F)F ZINC000575389888 386954484 /nfs/dbraw/zinc/95/44/84/386954484.db2.gz SLERBJFKSZFDBQ-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN COC(=O)c1c(C=O)ccc(C#N)c1C(F)F ZINC000575389768 386954692 /nfs/dbraw/zinc/95/46/92/386954692.db2.gz QTBZMXYKJZACEE-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN COC(=O)c1cc(C(F)F)c(C=O)cc1C#N ZINC000575389695 386955178 /nfs/dbraw/zinc/95/51/78/386955178.db2.gz JXMICRGULUOYKA-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN COC(=O)c1cc(C(F)F)c(C#N)cc1C=O ZINC000575389975 386955382 /nfs/dbraw/zinc/95/53/82/386955382.db2.gz XSDRWHPXAKGLSV-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN CCOC(=O)Cc1cc(C#N)c(C=O)cc1CC ZINC000575387772 386956427 /nfs/dbraw/zinc/95/64/27/386956427.db2.gz SUQOANQWQBIDQQ-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)c1cc(O)cc(C#N)c1C(F)F ZINC000575387860 386956822 /nfs/dbraw/zinc/95/68/22/386956822.db2.gz QEBZKJOTNAEIAS-UHFFFAOYSA-N 0 0 241.193 2.378 10 30 BEEERN CCOC(=O)c1c(CC)cc(C#N)cc1OC ZINC000575388008 386958541 /nfs/dbraw/zinc/95/85/41/386958541.db2.gz KYMXSPJTZISFPD-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CCOC(=O)c1c(O)cc(C(F)F)cc1C#N ZINC000575388135 386958610 /nfs/dbraw/zinc/95/86/10/386958610.db2.gz YKPKWDWTPSXJOA-UHFFFAOYSA-N 0 0 241.193 2.378 10 30 BEEERN CCOC(=O)Cc1c(CC)ccc(OC)c1C#N ZINC000575388042 386959109 /nfs/dbraw/zinc/95/91/09/386959109.db2.gz OVBBPLKXYZPCDZ-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN COC(=O)c1c(O)cc(C(F)(F)F)cc1C#N ZINC000575392333 386964667 /nfs/dbraw/zinc/96/46/67/386964667.db2.gz TTZGKMCBQUSKEC-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN CCOC(=O)c1c(C#N)cc(CC)cc1C=O ZINC000575387560 386948739 /nfs/dbraw/zinc/94/87/39/386948739.db2.gz FUUQEPWINJHBQR-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN CCOC(=O)c1ccc(C#N)c(C(F)F)c1O ZINC000575387430 386948758 /nfs/dbraw/zinc/94/87/58/386948758.db2.gz FSTGGWBHHXCXKC-UHFFFAOYSA-N 0 0 241.193 2.378 10 30 BEEERN CCOC(=O)c1ccc(C=O)c(C#N)c1CC ZINC000575387520 386949588 /nfs/dbraw/zinc/94/95/88/386949588.db2.gz ATXDYRWGEFCXQO-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN CCOC(=O)Cc1c(C#N)c(C=O)ccc1CC ZINC000575387702 386950862 /nfs/dbraw/zinc/95/08/62/386950862.db2.gz ONZAKDVCUHTWIY-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN COC(=O)c1cc(OC(F)F)c(C#N)cc1C ZINC000575388467 386951085 /nfs/dbraw/zinc/95/10/85/386951085.db2.gz JOMHECAROFZAKH-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN CCOC(=O)c1c(CC)ccc(C#N)c1[N+](=O)[O-] ZINC000575388770 386951102 /nfs/dbraw/zinc/95/11/02/386951102.db2.gz DONREGJQEYFNET-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN COC(=O)c1c(C)c(C#N)ccc1OC(F)F ZINC000575388367 386951673 /nfs/dbraw/zinc/95/16/73/386951673.db2.gz GEHCNUHRTXOGTC-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN CCOC(=O)c1c(CC)cc(C#N)cc1[N+](=O)[O-] ZINC000575388730 386951678 /nfs/dbraw/zinc/95/16/78/386951678.db2.gz AVHAZDHWTNIAIV-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOC(=O)c1c(C#N)c(CC)ccc1[N+](=O)[O-] ZINC000575388778 386951955 /nfs/dbraw/zinc/95/19/55/386951955.db2.gz FCCGLDFVAJHMAH-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOc1c(O)cc(CC#N)cc1OC(F)F ZINC000575655413 387039074 /nfs/dbraw/zinc/03/90/74/387039074.db2.gz FAOBGGNJBUFZEX-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN CCOc1cc(OC(F)F)cc(C#N)c1O ZINC000575655422 387040019 /nfs/dbraw/zinc/04/00/19/387040019.db2.gz FNDLNNDIWODTLF-UHFFFAOYSA-N 0 0 229.182 2.264 10 30 BEEERN N#Cc1cc(F)cc(O)c1OC(F)F ZINC000575658344 387045163 /nfs/dbraw/zinc/04/51/63/387045163.db2.gz GAXAGCRRZLEELY-UHFFFAOYSA-N 0 0 203.119 2.004 10 30 BEEERN N#Cc1cc(O)c(OC(F)F)cc1F ZINC000575658236 387046078 /nfs/dbraw/zinc/04/60/78/387046078.db2.gz DUYRZWFRZAHINO-UHFFFAOYSA-N 0 0 203.119 2.004 10 30 BEEERN CCOc1c(CC#N)cc(O)cc1OC(F)F ZINC000575657896 387046431 /nfs/dbraw/zinc/04/64/31/387046431.db2.gz XKQXDCLDBJKGIH-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN Cc1c(CC#N)cc(C=O)cc1OC(F)F ZINC000575660925 387051647 /nfs/dbraw/zinc/05/16/47/387051647.db2.gz BYIKLNZWRWXMMA-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN C[C@H](CC#N)C(=O)Nc1ccc(C#N)cc1 ZINC000049815327 387080654 /nfs/dbraw/zinc/08/06/54/387080654.db2.gz PGLZDVVQWJELIP-SECBINFHSA-N 0 0 213.240 2.047 10 30 BEEERN CC[C@@H](CCO)CNc1cc(C)nc(C)c1C#N ZINC000127356315 387100430 /nfs/dbraw/zinc/10/04/30/387100430.db2.gz VMFOJSQOCBYLAE-LBPRGKRZSA-N 0 0 247.342 2.391 10 30 BEEERN COCOc1c(Br)cccc1C#N ZINC000575436213 387100849 /nfs/dbraw/zinc/10/08/49/387100849.db2.gz LTYYNDPBWWHMNN-UHFFFAOYSA-N 0 0 242.072 2.303 10 30 BEEERN Cc1ccc2ncc(C#N)c(N(C)C)c2c1 ZINC000053994981 387118933 /nfs/dbraw/zinc/11/89/33/387118933.db2.gz SLGMSPHRLJZNQQ-UHFFFAOYSA-N 0 0 211.268 2.481 10 30 BEEERN COc1c(O)cc(CC#N)cc1OC(F)F ZINC000575662801 387192794 /nfs/dbraw/zinc/19/27/94/387192794.db2.gz JBTLYJCCQFPXEA-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN N#CCc1c(OC(F)F)cc(F)cc1[N+](=O)[O-] ZINC000575661913 387153891 /nfs/dbraw/zinc/15/38/91/387153891.db2.gz UQVFJIZFKXQZGI-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN Cc1cc(OC(F)F)cc(CC#N)c1C=O ZINC000575662029 387162247 /nfs/dbraw/zinc/16/22/47/387162247.db2.gz VFWOKHXIERTWIM-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN CC(C)=CC(=O)c1nn(C)cc1Br ZINC000575482124 387181886 /nfs/dbraw/zinc/18/18/86/387181886.db2.gz JKRSODVWVJPROC-UHFFFAOYSA-N 0 0 243.104 2.332 10 30 BEEERN NC(=S)NN=Cc1c(F)cccc1Cl ZINC000001905592 387182161 /nfs/dbraw/zinc/18/21/61/387182161.db2.gz BPQDBWYSKJBEOP-UHFFFAOYSA-N 0 0 231.683 2.267 10 30 BEEERN C=CCCCN(C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000187831833 387216525 /nfs/dbraw/zinc/21/65/25/387216525.db2.gz NKKPVDKKWBNJQI-VXGBXAGGSA-N 0 0 225.332 2.226 10 30 BEEERN Cc1cc(C#N)c([N+](=O)[O-])cc1OC(F)F ZINC000575665161 387314204 /nfs/dbraw/zinc/31/42/04/387314204.db2.gz BKFGNAXHJXQZNW-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN C=C[C@H](O)c1cc(N)ccc1Br ZINC000575502718 387355811 /nfs/dbraw/zinc/35/58/11/387355811.db2.gz YNPBXMVGNATYKV-VIFPVBQESA-N 0 0 228.089 2.251 10 30 BEEERN C[C@@H]1C[C@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000103085106 387362390 /nfs/dbraw/zinc/36/23/90/387362390.db2.gz OJWJRBYGVZVXOZ-BXKDBHETSA-N 0 0 246.335 2.175 10 30 BEEERN CN(Cc1ccc(F)cc1C#N)C[C@H]1CCCO1 ZINC000103142386 387370191 /nfs/dbraw/zinc/37/01/91/387370191.db2.gz GYHVHSWZSLMXEI-CQSZACIVSA-N 0 0 248.301 2.308 10 30 BEEERN O=C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)CC[C@@H]21 ZINC000575602506 387371391 /nfs/dbraw/zinc/37/13/91/387371391.db2.gz PXJCKOZUSDEFJE-FNCVBFRFSA-N 0 0 222.206 2.179 10 30 BEEERN COc1c(Br)cc(O)cc1CC#N ZINC000575692734 387379172 /nfs/dbraw/zinc/37/91/72/387379172.db2.gz LIDOLPOZOJMAHV-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN Cc1c(OC(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575668012 387323960 /nfs/dbraw/zinc/32/39/60/387323960.db2.gz PSTHUXXZCJOUKM-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN Cc1ccc(OC(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575668975 387325297 /nfs/dbraw/zinc/32/52/97/387325297.db2.gz WGUMYOQHKAQKCX-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN Cc1c(C#N)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575668336 387325787 /nfs/dbraw/zinc/32/57/87/387325787.db2.gz VFHORYYAGFNWJU-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN CCOc1ccc(C#N)c([N+](=O)[O-])c1F ZINC000575670341 387331195 /nfs/dbraw/zinc/33/11/95/387331195.db2.gz KAEJSXPDBUYOQB-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN CCOc1ccc(C#N)c(C)c1[N+](=O)[O-] ZINC000575669967 387332672 /nfs/dbraw/zinc/33/26/72/387332672.db2.gz AVMCVOJXVKNIHF-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CCOc1cc(CC)c(C#N)cc1[N+](=O)[O-] ZINC000575669920 387332940 /nfs/dbraw/zinc/33/29/40/387332940.db2.gz BETVHLVGDJMKAQ-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN C[C@@H]1C[C@@](C#N)(NC(=O)OC(C)(C)C)[C@@H]1C ZINC000575496523 387335063 /nfs/dbraw/zinc/33/50/63/387335063.db2.gz NXXRIHNBYVMXEL-LNLATYFQSA-N 0 0 224.304 2.449 10 30 BEEERN CCOc1cc([N+](=O)[O-])cc(C#N)c1CC ZINC000575671023 387336899 /nfs/dbraw/zinc/33/68/99/387336899.db2.gz RYNXANXXWFTESU-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN COc1cc(C#N)c(OC(F)F)cc1OC ZINC000575671641 387336973 /nfs/dbraw/zinc/33/69/73/387336973.db2.gz NRLZGKYKJZVNGQ-UHFFFAOYSA-N 0 0 229.182 2.177 10 30 BEEERN CCOc1c(C#N)ccc(CC)c1[N+](=O)[O-] ZINC000575671115 387337306 /nfs/dbraw/zinc/33/73/06/387337306.db2.gz URPXFZHNVCBPNJ-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN CCOc1c(C)ccc(C#N)c1[N+](=O)[O-] ZINC000575671726 387338084 /nfs/dbraw/zinc/33/80/84/387338084.db2.gz VSZLWAMWWZVDIU-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CC(C)[C@H]1OCC[C@@H]1CNc1cccc(C#N)n1 ZINC000267235216 387347497 /nfs/dbraw/zinc/34/74/97/387347497.db2.gz QSQVDRMZQJKAOH-BXUZGUMPSA-N 0 0 245.326 2.426 10 30 BEEERN N#CCc1cc(N)cc(O)c1C(F)(F)F ZINC000575718571 387425787 /nfs/dbraw/zinc/42/57/87/387425787.db2.gz GLEFMLDOKPADNR-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN Cc1ccc(CC#N)c(N)c1Br ZINC000575714736 387428841 /nfs/dbraw/zinc/42/88/41/387428841.db2.gz MYRVINJIQOQMPC-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN CCc1cc(OC(F)F)cc(N)c1CC#N ZINC000575715946 387430581 /nfs/dbraw/zinc/43/05/81/387430581.db2.gz AJWODFBUAWEFDI-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN N#CCc1cc(N)cc(F)c1OC(F)F ZINC000575716028 387430693 /nfs/dbraw/zinc/43/06/93/387430693.db2.gz GEMJXZKPAYTQDK-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN CCOc1cc(N)cc(OC(F)F)c1CC#N ZINC000575715975 387430890 /nfs/dbraw/zinc/43/08/90/387430890.db2.gz BRPUNARUUUBYIU-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN N#CCc1cc(N)c(O)c(C(F)(F)F)c1 ZINC000575718990 387433328 /nfs/dbraw/zinc/43/33/28/387433328.db2.gz MHSJWKMPLOGXRZ-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN COc1cc(C(F)(F)F)c(CC#N)cc1N ZINC000575717145 387434495 /nfs/dbraw/zinc/43/44/95/387434495.db2.gz RSMLYMWFACRSDQ-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN COc1cc(CC#N)c(N)c(C(F)(F)F)c1 ZINC000575717764 387436097 /nfs/dbraw/zinc/43/60/97/387436097.db2.gz ZBNLKGXSNYLPJL-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN Cc1cc(N)c(CC#N)c(OC(F)F)c1 ZINC000575717543 387436288 /nfs/dbraw/zinc/43/62/88/387436288.db2.gz SDTZQIJFNVBAEF-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN N#CCc1cc([N+](=O)[O-])cc(N)c1C(F)(F)F ZINC000575719451 387436919 /nfs/dbraw/zinc/43/69/19/387436919.db2.gz CRTOQDZGVZKPSN-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN N#CCc1ccc([N+](=O)[O-])c(C(F)(F)F)c1N ZINC000575719551 387440594 /nfs/dbraw/zinc/44/05/94/387440594.db2.gz FTKNMBZRQXUXRU-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000191370524 387387917 /nfs/dbraw/zinc/38/79/17/387387917.db2.gz QUPURVVCVAWAIG-ZWNOBZJWSA-N 0 0 244.294 2.312 10 30 BEEERN CCOc1cc([N+](=O)[O-])cc(C)c1CC#N ZINC000575698737 387391887 /nfs/dbraw/zinc/39/18/87/387391887.db2.gz HTGHRTJLFXQOBJ-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN N#CCc1c(F)ccc(OC(F)(F)F)c1O ZINC000575704201 387400554 /nfs/dbraw/zinc/40/05/54/387400554.db2.gz MDPDQIAVDLSHMV-UHFFFAOYSA-N 0 0 235.136 2.496 10 30 BEEERN CCOc1cc([N+](=O)[O-])c(CC#N)cc1C ZINC000575698943 387401809 /nfs/dbraw/zinc/40/18/09/387401809.db2.gz ODMUAMSELMUCRB-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN N#CCc1cc(N)c(Br)cc1F ZINC000575713824 387409407 /nfs/dbraw/zinc/40/94/07/387409407.db2.gz FNNSPWLCZXYDNG-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#CCc1c(N)ccc(F)c1Br ZINC000575714449 387411220 /nfs/dbraw/zinc/41/12/20/387411220.db2.gz OKZIVYRNUWWRRC-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#CCc1cc(Br)c(N)cc1F ZINC000575713738 387418035 /nfs/dbraw/zinc/41/80/35/387418035.db2.gz BKMLLFSNBIWNAF-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN CN(C)c1nc(C(F)(F)F)ccc1C#N ZINC000094334875 387616130 /nfs/dbraw/zinc/61/61/30/387616130.db2.gz GVVVSFXIBCARIU-UHFFFAOYSA-N 0 0 215.178 2.038 10 30 BEEERN CC=CC(=O)[C@@H]1SCCS[C@H]1C ZINC000575550399 387643020 /nfs/dbraw/zinc/64/30/20/387643020.db2.gz RKODBOYSVQTHOI-NBUMFNHOSA-N 0 0 202.344 2.369 10 30 BEEERN N#CCc1cc(O)cc(Br)c1F ZINC000306353246 387731069 /nfs/dbraw/zinc/73/10/69/387731069.db2.gz GAKSMDWTXXKKCR-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN CC(C)(C)n1cc(C#N)c(Br)n1 ZINC000575625174 387821104 /nfs/dbraw/zinc/82/11/04/387821104.db2.gz ZWVUFEBJNDRHIX-UHFFFAOYSA-N 0 0 228.093 2.272 10 30 BEEERN N#CCc1cc(OC(F)F)cc(F)c1C#N ZINC000575639733 387838321 /nfs/dbraw/zinc/83/83/21/387838321.db2.gz JKIYHXRYPWXRKS-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN COc1cc(OC(F)F)c(CC#N)cc1C#N ZINC000575640218 387838623 /nfs/dbraw/zinc/83/86/23/387838623.db2.gz GLWMJAIDFMKLGP-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN CCc1cc(C#N)c([N+](=O)[O-])cc1CC#N ZINC000575645140 387874263 /nfs/dbraw/zinc/87/42/63/387874263.db2.gz CYPPVDQDGVZVFQ-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN N#CCc1cc(O)c(C#N)cc1C(F)F ZINC000575643424 387864753 /nfs/dbraw/zinc/86/47/53/387864753.db2.gz QCAJBPFPWNQJBY-UHFFFAOYSA-N 0 0 208.167 2.268 10 30 BEEERN N#CCc1cc(C(F)F)cc(O)c1C#N ZINC000575643079 387866117 /nfs/dbraw/zinc/86/61/17/387866117.db2.gz MKINDRUGLGHWNB-UHFFFAOYSA-N 0 0 208.167 2.268 10 30 BEEERN CCOc1cc(F)c(C#N)c(CC#N)c1 ZINC000575642950 387866266 /nfs/dbraw/zinc/86/62/66/387866266.db2.gz ANISWZBVYPAEHA-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCOc1cc(F)c(CC#N)cc1C#N ZINC000575642963 387866476 /nfs/dbraw/zinc/86/64/76/387866476.db2.gz BEKWBUKYJPHDJY-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCOc1cc(CC#N)cc(F)c1C#N ZINC000575644153 387869562 /nfs/dbraw/zinc/86/95/62/387869562.db2.gz KXUCMOORJFEHOU-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCc1cc(CC#N)cc(C#N)c1[N+](=O)[O-] ZINC000575650037 387890174 /nfs/dbraw/zinc/89/01/74/387890174.db2.gz VJBIDEUEKSIVCX-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN CCc1cc(C#N)c(CC#N)cc1[N+](=O)[O-] ZINC000575648091 387892601 /nfs/dbraw/zinc/89/26/01/387892601.db2.gz PNKLSZGGIWBEJR-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN CCc1c(O)cc(C#N)cc1OC(F)F ZINC000575654274 387897193 /nfs/dbraw/zinc/89/71/93/387897193.db2.gz XVTYJXNUKKSEOY-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCOc1cc(CC#N)c(C#N)cc1F ZINC000575645839 387876896 /nfs/dbraw/zinc/87/68/96/387876896.db2.gz SWURJJNYSGPJEP-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCc1c(C#N)ccc(CC#N)c1[N+](=O)[O-] ZINC000575644775 387876956 /nfs/dbraw/zinc/87/69/56/387876956.db2.gz AYTFMVYDGVBXRT-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN CCOc1cc(OC)c(CC#N)cc1C#N ZINC000575647689 387883906 /nfs/dbraw/zinc/88/39/06/387883906.db2.gz LPAOGXVAHHAXSY-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN C#C[C@@H](C)Nc1cc(C)nc(C(C)C)n1 ZINC000164859113 388249397 /nfs/dbraw/zinc/24/93/97/388249397.db2.gz YASCXKGFEWXZLJ-SECBINFHSA-N 0 0 203.289 2.342 10 30 BEEERN C#C[C@@H](NC(=O)C1CC(C)C1)C(C)(C)C ZINC000491231818 388278463 /nfs/dbraw/zinc/27/84/63/388278463.db2.gz WHUSXDRJMJRSKF-VQXHTEKXSA-N 0 0 207.317 2.197 10 30 BEEERN O=C(/C=C/Cl)c1ncncc1Br ZINC000575520950 388357047 /nfs/dbraw/zinc/35/70/47/388357047.db2.gz KDVWEGBREZZPJU-OWOJBTEDSA-N 0 0 247.479 2.174 10 30 BEEERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)/C=C/Cl ZINC000575521448 388358245 /nfs/dbraw/zinc/35/82/45/388358245.db2.gz WAMVIKRWLNXRGO-RRZMENGKSA-N 0 0 202.681 2.368 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1snc(Cl)c1C#N ZINC000270802385 388366422 /nfs/dbraw/zinc/36/64/22/388366422.db2.gz UPMKCRBBDBFJLW-VDTYLAMSSA-N 0 0 243.719 2.257 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000270797519 388367301 /nfs/dbraw/zinc/36/73/01/388367301.db2.gz SYLXCNQEWNMLGO-CBAPKCEASA-N 0 0 237.690 2.196 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1ncc(C#N)cc1Cl ZINC000153234066 388393481 /nfs/dbraw/zinc/39/34/81/388393481.db2.gz QGHZBEJACGIMEJ-XCBNKYQSSA-N 0 0 237.690 2.196 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1cccc(F)c1C#N ZINC000134382348 388398895 /nfs/dbraw/zinc/39/88/95/388398895.db2.gz AUPVVEAMBCYKNY-GZMMTYOYSA-N 0 0 220.247 2.287 10 30 BEEERN C=C(Br)CNc1cc(C)n(C)n1 ZINC000300869343 388457565 /nfs/dbraw/zinc/45/75/65/388457565.db2.gz KMEWMNLRLIJYIZ-UHFFFAOYSA-N 0 0 230.109 2.049 10 30 BEEERN COC(=O)c1c(C#N)ccc(OC(F)F)c1F ZINC000575386012 388458342 /nfs/dbraw/zinc/45/83/42/388458342.db2.gz UKDOPNDCBDUVLU-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN CCS[C@@H]1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC000301991675 388617869 /nfs/dbraw/zinc/61/78/69/388617869.db2.gz MUKBURDNYGYBQP-GXSJLCMTSA-N 0 0 248.355 2.434 10 30 BEEERN Cc1nnc([C@H](C)Nc2ccc(C#N)nc2)s1 ZINC000273505744 388608439 /nfs/dbraw/zinc/60/84/39/388608439.db2.gz PELSYBOBMWBKJX-ZETCQYMHSA-N 0 0 245.311 2.286 10 30 BEEERN Cc1csc(CN(C)c2ncccc2C#N)n1 ZINC000301283111 388611131 /nfs/dbraw/zinc/61/11/31/388611131.db2.gz LKUQIUMQTFCVKR-UHFFFAOYSA-N 0 0 244.323 2.355 10 30 BEEERN CC1CC(C(=O)NCC(C)(C)CC#N)C1 ZINC000521203516 388564226 /nfs/dbraw/zinc/56/42/26/388564226.db2.gz ISLFVDRCXVMJSC-UHFFFAOYSA-N 0 0 208.305 2.089 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000075981699 388663248 /nfs/dbraw/zinc/66/32/48/388663248.db2.gz QXXUGQXNZRNRJA-MFKMUULPSA-N 0 0 243.310 2.108 10 30 BEEERN C[C@H](C=NO)Cc1ccc2c(c1)OCO2 ZINC000254407342 388744103 /nfs/dbraw/zinc/74/41/03/388744103.db2.gz ISLHQWBNLXYVQG-QMMMGPOBSA-N 0 0 207.229 2.054 10 30 BEEERN C=C[C@@H](NN)c1ccsc1Br ZINC000575452224 388748363 /nfs/dbraw/zinc/74/83/63/388748363.db2.gz MDYRMJNOAWVHGF-ZCFIWIBFSA-N 0 0 233.134 2.201 10 30 BEEERN CS[C@H]1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC000124966275 388764316 /nfs/dbraw/zinc/76/43/16/388764316.db2.gz ZSVODJSGAIIQRU-KOLCDFICSA-N 0 0 248.355 2.434 10 30 BEEERN Cn1ncc(N=[N+]=[N-])c1Br ZINC000575456976 388789757 /nfs/dbraw/zinc/78/97/57/388789757.db2.gz VQKWYXXGTJGGEK-UHFFFAOYSA-N 0 0 202.015 2.124 10 30 BEEERN N#Cc1csc(C(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000334142854 388823119 /nfs/dbraw/zinc/82/31/19/388823119.db2.gz OXKJHJVMVKIPPG-ZJUUUORDSA-N 0 0 232.308 2.244 10 30 BEEERN N#Cc1cc(F)c(Br)c(F)c1N ZINC000575484110 388866646 /nfs/dbraw/zinc/86/66/46/388866646.db2.gz HWZFACWCFFJCIH-UHFFFAOYSA-N 0 0 233.015 2.181 10 30 BEEERN C[C@@H]1SCCN(c2ccc(C#N)nc2)[C@H]1C ZINC000135503519 132240349 /nfs/dbraw/zinc/24/03/49/132240349.db2.gz KTYQQSIZLXNBNR-UWVGGRQHSA-N 0 0 233.340 2.283 10 30 BEEERN C=C1CN(c2c(N)cccc2Br)C1 ZINC000575500692 388990573 /nfs/dbraw/zinc/99/05/73/388990573.db2.gz HFLQPNCDMPMYLD-UHFFFAOYSA-N 0 0 239.116 2.408 10 30 BEEERN C[C@@H]1[C@H](C)SCCN1c1ccc(C#N)nc1 ZINC000135503496 132240575 /nfs/dbraw/zinc/24/05/75/132240575.db2.gz KTYQQSIZLXNBNR-ZJUUUORDSA-N 0 0 233.340 2.283 10 30 BEEERN C[C@H]1SCCN(c2ccc(C#N)nc2)[C@H]1C ZINC000135503556 132240688 /nfs/dbraw/zinc/24/06/88/132240688.db2.gz KTYQQSIZLXNBNR-VHSXEESVSA-N 0 0 233.340 2.283 10 30 BEEERN N#Cc1cccc(N2CCO[C@H]3CCCC[C@H]32)n1 ZINC000227168302 132292065 /nfs/dbraw/zinc/29/20/65/132292065.db2.gz KSCAARBHDLDRBN-OLZOCXBDSA-N 0 0 243.310 2.101 10 30 BEEERN C[C@H]1[C@H](O)CCCN1c1cccc(F)c1C#N ZINC000295090891 132308050 /nfs/dbraw/zinc/30/80/50/132308050.db2.gz ZEULMYWQMYNMLW-TVQRCGJNSA-N 0 0 234.274 2.047 10 30 BEEERN C[C@H]1CCCCN1c1ccc(/C(N)=N/O)cc1 ZINC000019865646 132327991 /nfs/dbraw/zinc/32/79/91/132327991.db2.gz BDBYWIHECSWRLC-JTQLQIEISA-N 0 0 233.315 2.160 10 30 BEEERN C[C@@H](C#N)CN1CCN(c2ccc(F)cc2)CC1 ZINC000031945823 132334664 /nfs/dbraw/zinc/33/46/64/132334664.db2.gz MUGSFSHJHBWNOL-LBPRGKRZSA-N 0 0 247.317 2.107 10 30 BEEERN C[C@H](C#N)CN1CCN(c2ccccc2F)CC1 ZINC000031945929 132334721 /nfs/dbraw/zinc/33/47/21/132334721.db2.gz CMHXJGUJCWTKPA-GFCCVEGCSA-N 0 0 247.317 2.107 10 30 BEEERN CCO[C@H]1CCCN(c2ccc(C#N)cc2N)C1 ZINC000042421387 132351506 /nfs/dbraw/zinc/35/15/06/132351506.db2.gz PYJQNJXXJZTKEM-LBPRGKRZSA-N 0 0 245.326 2.146 10 30 BEEERN CC(=O)c1ccc(N2CCC(C=O)CC2)cc1 ZINC000054268531 132363758 /nfs/dbraw/zinc/36/37/58/132363758.db2.gz CQZUZVISQGIDNH-UHFFFAOYSA-N 0 0 231.295 2.305 10 30 BEEERN N#Cc1nccnc1N1CCCc2ccccc21 ZINC000054379124 132364680 /nfs/dbraw/zinc/36/46/80/132364680.db2.gz SUICPQYZMTXAPL-UHFFFAOYSA-N 0 0 236.278 2.433 10 30 BEEERN CC(C)[C@@H]1CCCCN1c1cnc(C#N)cn1 ZINC000124960112 132398513 /nfs/dbraw/zinc/39/85/13/132398513.db2.gz QRNTZHLDMJGHAM-LBPRGKRZSA-N 0 0 230.315 2.363 10 30 BEEERN CC[C@]1(C)CCCN(c2cnc(C#N)cn2)C1 ZINC000125878686 132439951 /nfs/dbraw/zinc/43/99/51/132439951.db2.gz PGCWGYCIJIHHOK-CYBMUJFWSA-N 0 0 230.315 2.365 10 30 BEEERN C=CCN(CC=C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000190311395 133664020 /nfs/dbraw/zinc/66/40/20/133664020.db2.gz HDPXJEQOWYSCPT-NEPJUHHUSA-N 0 0 223.316 2.002 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330229967 133998975 /nfs/dbraw/zinc/99/89/75/133998975.db2.gz WGEHBOLWDJJWJI-VWYCJHECSA-N 0 0 238.331 2.000 10 30 BEEERN C[C@H](C#N)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000336005652 134048933 /nfs/dbraw/zinc/04/89/33/134048933.db2.gz HHCHCMYUNKYDMJ-IUODEOHRSA-N 0 0 242.322 2.368 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)C1(C#N)CCCCC1 ZINC000336080276 134075448 /nfs/dbraw/zinc/07/54/48/134075448.db2.gz FXZHHVMPUOQZFB-VXGBXAGGSA-N 0 0 245.326 2.269 10 30 BEEERN Cc1cccc(NC[C@H]2CCCN2CCC#N)n1 ZINC000369901034 134223284 /nfs/dbraw/zinc/22/32/84/134223284.db2.gz SDVBPCJITSHAIE-CYBMUJFWSA-N 0 0 244.342 2.180 10 30 BEEERN CC#CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000120906698 134230632 /nfs/dbraw/zinc/23/06/32/134230632.db2.gz DGLULUAWTLDKTF-CHWSQXEVSA-N 0 0 219.328 2.342 10 30 BEEERN C=C(C)CN(CC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000121360054 134233052 /nfs/dbraw/zinc/23/30/52/134233052.db2.gz AVSBIJZQQCNRTP-NEPJUHHUSA-N 0 0 240.347 2.162 10 30 BEEERN CCCCSCCC(=O)N[C@H](C#N)C1CC1 ZINC000121830601 134235719 /nfs/dbraw/zinc/23/57/19/134235719.db2.gz XZFFUEZXQAXBSP-LLVKDONJSA-N 0 0 240.372 2.328 10 30 BEEERN Cc1cc(NCCOC(C)C)c(C#N)c(C)n1 ZINC000168650669 134238888 /nfs/dbraw/zinc/23/88/88/134238888.db2.gz YXTRPQNTYNGWHI-UHFFFAOYSA-N 0 0 233.315 2.407 10 30 BEEERN Cc1c(C#N)cccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000178372458 134309107 /nfs/dbraw/zinc/30/91/07/134309107.db2.gz SWGANIAAIXYAAB-NOZJJQNGSA-N 0 0 244.294 2.373 10 30 BEEERN C=C(C)CN(C)C(=O)N[C@H]1COc2ccccc21 ZINC000180857863 134331716 /nfs/dbraw/zinc/33/17/16/134331716.db2.gz UEODVHKQOKGBIR-LBPRGKRZSA-N 0 0 246.310 2.338 10 30 BEEERN C[C@H](C#N)N1CCO[C@H](c2ccsc2)C1 ZINC000182000056 134341190 /nfs/dbraw/zinc/34/11/90/134341190.db2.gz GXBMFWRRBQVPTM-KOLCDFICSA-N 0 0 222.313 2.033 10 30 BEEERN Cc1cnc([C@H](C)Nc2ncccc2C#N)o1 ZINC000226546917 134366169 /nfs/dbraw/zinc/36/61/69/134366169.db2.gz GEOCNWFVZBINIR-VIFPVBQESA-N 0 0 228.255 2.423 10 30 BEEERN Cc1cnc([C@@H](C)Nc2ccc(C#N)cn2)o1 ZINC000226547940 134366230 /nfs/dbraw/zinc/36/62/30/134366230.db2.gz RWYYQHNRWRZBHP-SECBINFHSA-N 0 0 228.255 2.423 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCCS1 ZINC000226989248 134371213 /nfs/dbraw/zinc/37/12/13/134371213.db2.gz YKQTVHKRZNXOLY-AXFHLTTASA-N 0 0 238.356 2.081 10 30 BEEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)ccc1O ZINC000227038008 134373688 /nfs/dbraw/zinc/37/36/88/134373688.db2.gz DVFQYIMLYKGQOS-VXGBXAGGSA-N 0 0 244.294 2.123 10 30 BEEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)ccc1O ZINC000227038012 134373706 /nfs/dbraw/zinc/37/37/06/134373706.db2.gz DVFQYIMLYKGQOS-NEPJUHHUSA-N 0 0 244.294 2.123 10 30 BEEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1cccnc1 ZINC000054825113 134389136 /nfs/dbraw/zinc/38/91/36/134389136.db2.gz LZRWXSRKVQRFBA-DMDPSCGWSA-N 0 0 215.300 2.424 10 30 BEEERN Cc1ccc(C#N)c(N[C@H]2CCC[C@@H]2C#N)n1 ZINC000408109633 134394476 /nfs/dbraw/zinc/39/44/76/134394476.db2.gz YYLLEHJYKAGUDE-PWSUYJOCSA-N 0 0 226.283 2.366 10 30 BEEERN Cc1cc(C#N)cc(N2CCO[C@H]3CCC[C@H]32)n1 ZINC000228791979 134425552 /nfs/dbraw/zinc/42/55/52/134425552.db2.gz ZQWFIXZUQXCCIF-OLZOCXBDSA-N 0 0 243.310 2.019 10 30 BEEERN Cc1cnc([C@@H](C)NCc2ccc(C#N)o2)o1 ZINC000231531966 134540855 /nfs/dbraw/zinc/54/08/55/134540855.db2.gz PPDXZYANWUDUNB-SECBINFHSA-N 0 0 231.255 2.299 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1O ZINC000061889217 134803925 /nfs/dbraw/zinc/80/39/25/134803925.db2.gz YPJRGQUASDLTHS-NWDGAFQWSA-N 0 0 244.294 2.123 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cncc(Cl)c1 ZINC000307953719 134875409 /nfs/dbraw/zinc/87/54/09/134875409.db2.gz KHBLSHOKLSRYMW-KCJUWKMLSA-N 0 0 249.701 2.157 10 30 BEEERN N#C[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000336677681 134898242 /nfs/dbraw/zinc/89/82/42/134898242.db2.gz MDEUFGAKYBRBIR-RQJHMYQMSA-N 0 0 238.272 2.155 10 30 BEEERN Cc1cnc(CN[C@H]2CCC[C@@H]2C#N)s1 ZINC000334508885 134972071 /nfs/dbraw/zinc/97/20/71/134972071.db2.gz LDQREVXODRJMSV-ZJUUUORDSA-N 0 0 221.329 2.233 10 30 BEEERN Cc1cc([C@@H]2CN([C@H](C)C#N)CCO2)ccc1F ZINC000248439543 135009126 /nfs/dbraw/zinc/00/91/26/135009126.db2.gz CNHRNTDXOGUJBH-RISCZKNCSA-N 0 0 248.301 2.420 10 30 BEEERN COc1ccc([C@H]2C[C@@H](C)N(CC#N)C2)cc1 ZINC000076390299 135033394 /nfs/dbraw/zinc/03/33/94/135033394.db2.gz VHJQFFJQUFPYEY-YPMHNXCESA-N 0 0 230.311 2.397 10 30 BEEERN COc1ccc([C@H]2C[C@H](C)N(CC#N)C2)cc1 ZINC000076390302 135033497 /nfs/dbraw/zinc/03/34/97/135033497.db2.gz VHJQFFJQUFPYEY-AAEUAGOBSA-N 0 0 230.311 2.397 10 30 BEEERN Cc1csc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000259662149 135144089 /nfs/dbraw/zinc/14/40/89/135144089.db2.gz AMIHDXUPODWFPH-ZJUUUORDSA-N 0 0 234.324 2.479 10 30 BEEERN CC#CCNC(=O)C(C)(C)c1ccccc1F ZINC000121680781 135225596 /nfs/dbraw/zinc/22/55/96/135225596.db2.gz VISFDXDBCQKQHE-UHFFFAOYSA-N 0 0 233.286 2.243 10 30 BEEERN N#CC1(NC(=O)c2cc(Cl)ccn2)CCCC1 ZINC000122020589 135225998 /nfs/dbraw/zinc/22/59/98/135225998.db2.gz WPUJNEHGWXYRRE-UHFFFAOYSA-N 0 0 249.701 2.301 10 30 BEEERN C=CCNC(=O)c1ccc(C)c(OCC)c1 ZINC000113140539 135229713 /nfs/dbraw/zinc/22/97/13/135229713.db2.gz CRAYTYLYPVRKDO-UHFFFAOYSA-N 0 0 219.284 2.310 10 30 BEEERN N#Cc1ccnc(N[C@H]2COc3ccccc32)c1 ZINC000078802705 135243289 /nfs/dbraw/zinc/24/32/89/135243289.db2.gz HXLZWUYPBCNGKD-LBPRGKRZSA-N 0 0 237.262 2.499 10 30 BEEERN N#Cc1ccnc(N[C@@H]2COc3ccccc32)c1 ZINC000078802703 135243520 /nfs/dbraw/zinc/24/35/20/135243520.db2.gz HXLZWUYPBCNGKD-GFCCVEGCSA-N 0 0 237.262 2.499 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1CCOC1 ZINC000330202873 135393302 /nfs/dbraw/zinc/39/33/02/135393302.db2.gz ZWYFMTSTLUETDM-OUAUKWLOSA-N 0 0 222.288 2.062 10 30 BEEERN COc1ccccc1[C@@H](C)N[C@@H](C)C#N ZINC000088162777 135517046 /nfs/dbraw/zinc/51/70/46/135517046.db2.gz YFZJKQILQPIFMN-VHSXEESVSA-N 0 0 204.273 2.258 10 30 BEEERN C=CCC1(C(=O)NCCn2cc(C)cn2)CCC1 ZINC000191892858 135548071 /nfs/dbraw/zinc/54/80/71/135548071.db2.gz QITITPXZVKVTKG-UHFFFAOYSA-N 0 0 247.342 2.054 10 30 BEEERN CC1=CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000335156402 135914044 /nfs/dbraw/zinc/91/40/44/135914044.db2.gz QPLYNBAIFAKATR-NEPJUHHUSA-N 0 0 233.315 2.040 10 30 BEEERN C[Si](C)(CCCC#N)c1ccccn1 ZINC000195892966 397904449 /nfs/dbraw/zinc/90/44/49/397904449.db2.gz RKMYTVQQSDCDDD-UHFFFAOYSA-N 0 0 204.349 2.301 10 30 BEEERN COC(=O)C#CC(C1CCC1)C1CCC1 ZINC000307175654 398004910 /nfs/dbraw/zinc/00/49/10/398004910.db2.gz GDCCRSZGTNKJPS-UHFFFAOYSA-N 0 0 206.285 2.379 10 30 BEEERN CNC(=O)c1ccccc1C#C[Si](C)(C)C ZINC000169932791 398032925 /nfs/dbraw/zinc/03/29/25/398032925.db2.gz XCUJCAOPSQBGOQ-UHFFFAOYSA-N 0 0 231.371 2.275 10 30 BEEERN COCc1ccc2c(c1)CC[C@H](C=O)C2 ZINC000584626019 398079508 /nfs/dbraw/zinc/07/95/08/398079508.db2.gz BQWJGWPNZJYQKQ-JTQLQIEISA-N 0 0 204.269 2.137 10 30 BEEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1O ZINC000061891088 398108042 /nfs/dbraw/zinc/10/80/42/398108042.db2.gz IRMLBABOBVKWDT-NEPJUHHUSA-N 0 0 246.310 2.183 10 30 BEEERN CCOC(=O)Cc1cc(OC)c(C#N)cc1CC ZINC000575387976 398132817 /nfs/dbraw/zinc/13/28/17/398132817.db2.gz DSEMXFLXBQOGHJ-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN CC(C)N(CCC#N)C(=O)c1ccc(F)cc1N ZINC000062822493 1172783379 /nfs/dbraw/zinc/78/33/79/1172783379.db2.gz VGWFSGGEVRQTHW-UHFFFAOYSA-N 0 0 249.289 2.172 10 30 BEEERN C#CCCOS(=O)(=O)c1ccc(Cl)cc1 ZINC000015021212 166148850 /nfs/dbraw/zinc/14/88/50/166148850.db2.gz MXZMYISRJWSFBF-UHFFFAOYSA-N 0 0 244.699 2.069 10 30 BEEERN Cc1cnc([C@@H](C)Nc2ccnc(C#N)c2)o1 ZINC000231745071 487614968 /nfs/dbraw/zinc/61/49/68/487614968.db2.gz KVYNKFLBWJFIOU-SECBINFHSA-N 0 0 228.255 2.423 10 30 BEEERN C#CC[NH2+][C@@]1(C(=O)[O-])CCCC[C@H]1C(C)(C)C ZINC000041730612 166191248 /nfs/dbraw/zinc/19/12/48/166191248.db2.gz YZLXNNNZIXSCAJ-FZMZJTMJSA-N 0 0 237.343 2.269 10 30 BEEERN C=CCCO[C@@H](C)C(=O)N[C@@H](C)C(C)C ZINC000125082578 166272450 /nfs/dbraw/zinc/27/24/50/166272450.db2.gz CYLRIAWPSFYQEQ-QWRGUYRKSA-N 0 0 213.321 2.128 10 30 BEEERN C=CCCSc1ncnc2n[nH]cc21 ZINC000028894848 166293413 /nfs/dbraw/zinc/29/34/13/166293413.db2.gz JEZOXVBOIDIVPU-UHFFFAOYSA-N 0 0 206.274 2.021 10 30 BEEERN C=CCNC(=S)N=NCc1cccc(F)c1 ZINC000001969359 166348429 /nfs/dbraw/zinc/34/84/29/166348429.db2.gz GMFZUMGJPCYVND-RIYZIHGNSA-N 0 0 237.303 2.221 10 30 BEEERN C=CCNC(=O)[C@@H](C)Nc1ccccc1Cl ZINC000020311809 166385323 /nfs/dbraw/zinc/38/53/23/166385323.db2.gz NNARJGJDLLZTPS-SECBINFHSA-N 0 0 238.718 2.443 10 30 BEEERN C=CCN[C@@H](C#N)c1cc(F)ccc1F ZINC000051960228 166403601 /nfs/dbraw/zinc/40/36/01/166403601.db2.gz SMRJWRNIDXMMPJ-NSHDSACASA-N 0 0 208.211 2.305 10 30 BEEERN CC(C)(C#N)S(=O)(=O)c1ccccc1Cl ZINC000037934617 166502079 /nfs/dbraw/zinc/50/20/79/166502079.db2.gz DRVVUNSNPYXJSF-UHFFFAOYSA-N 0 0 243.715 2.416 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H](C#N)c1ccncc1 ZINC000049822812 166663988 /nfs/dbraw/zinc/66/39/88/166663988.db2.gz HHSNUBBYMOIYCO-JTQLQIEISA-N 0 0 233.271 2.171 10 30 BEEERN CC(C)CCOc1ccc(C/C(N)=N/O)cc1 ZINC000019476375 166884403 /nfs/dbraw/zinc/88/44/03/166884403.db2.gz CDYSKWRKOVLCLR-UHFFFAOYSA-N 0 0 236.315 2.400 10 30 BEEERN CC(C)CNC(=O)[C@@H](C)Nc1ccccc1C#N ZINC000020314764 166993368 /nfs/dbraw/zinc/99/33/68/166993368.db2.gz APINALASBSEMCK-LLVKDONJSA-N 0 0 245.326 2.131 10 30 BEEERN CC(C)CN[C@H](C#N)c1ccc(C#N)cc1 ZINC000037939198 167014113 /nfs/dbraw/zinc/01/41/13/167014113.db2.gz DOYGVZDJNLNHFE-CYBMUJFWSA-N 0 0 213.284 2.369 10 30 BEEERN CC(C)CN[C@]1(C#N)CCOc2ccccc21 ZINC000037939246 167014598 /nfs/dbraw/zinc/01/45/98/167014598.db2.gz QRDNXSBPORJJRD-AWEZNQCLSA-N 0 0 230.311 2.434 10 30 BEEERN CC(C)N[C@@H](C#N)c1cnn(-c2ccccc2)c1 ZINC000034973831 167129892 /nfs/dbraw/zinc/12/98/92/167129892.db2.gz GXLWBSQFDRKXEY-AWEZNQCLSA-N 0 0 240.310 2.435 10 30 BEEERN CC(C)N[C@H](C#N)c1ccc(N(C)C)cc1 ZINC000020174585 167135859 /nfs/dbraw/zinc/13/58/59/167135859.db2.gz BBNIOWAAOHOYQJ-CYBMUJFWSA-N 0 0 217.316 2.315 10 30 BEEERN CC(C)N[C@H](C#N)c1cnn(-c2ccccc2)c1 ZINC000034973832 167136080 /nfs/dbraw/zinc/13/60/80/167136080.db2.gz GXLWBSQFDRKXEY-CQSZACIVSA-N 0 0 240.310 2.435 10 30 BEEERN CC(C)N[C@]1(C#N)CCc2ccccc21 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/nfs/dbraw/zinc/19/69/91/168196991.db2.gz JPLLHQWSHVVQLW-ZRDIBKRKSA-N 0 0 243.310 2.216 10 30 BEEERN CCC(=O)[C@@H](C#N)c1cccc(OC)c1 ZINC000040907835 168250912 /nfs/dbraw/zinc/25/09/12/168250912.db2.gz IQXQXVPFBOHKEH-NSHDSACASA-N 0 0 203.241 2.281 10 30 BEEERN CCC(C)(C)OCc1ccc(/C(N)=N/O)cc1 ZINC000020516443 168304264 /nfs/dbraw/zinc/30/42/64/168304264.db2.gz DBAWATFHLCXZBN-UHFFFAOYSA-N 0 0 236.315 2.486 10 30 BEEERN CCC(C)(CC)N=C(NC#N)Nc1ccncc1 ZINC000013232574 168307158 /nfs/dbraw/zinc/30/71/58/168307158.db2.gz WZIXTNXCUNIILL-UHFFFAOYSA-N 0 0 245.330 2.499 10 30 BEEERN CCN(C[C@@H](C)C#N)c1ccc(CO)cc1F ZINC000042447597 169878887 /nfs/dbraw/zinc/87/88/87/169878887.db2.gz OKWBJXDWKIWTGQ-JTQLQIEISA-N 0 0 236.290 2.304 10 30 BEEERN CCN(C[C@H](C)C#N)c1ccc(C#N)cc1N ZINC000042448110 169889435 /nfs/dbraw/zinc/88/94/35/169889435.db2.gz SBINIPYPTHGZMH-SNVBAGLBSA-N 0 0 228.299 2.126 10 30 BEEERN N#Cc1ccc(NC(=O)Cc2ccccc2)nc1 ZINC000051953123 411450578 /nfs/dbraw/zinc/45/05/78/411450578.db2.gz 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CCOC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000097054082 170244508 /nfs/dbraw/zinc/24/45/08/170244508.db2.gz CZZKRHOLRJNATP-GFCCVEGCSA-N 0 0 217.268 2.322 10 30 BEEERN CCOC(=O)[C@H](C#N)c1ccc(OCC)cc1 ZINC000049822749 170263988 /nfs/dbraw/zinc/26/39/88/170263988.db2.gz QUFAXMCOGFPHCI-GFCCVEGCSA-N 0 0 233.267 2.256 10 30 BEEERN CCOC(=O)c1ccc(NCCC#N)cc1 ZINC000033433444 170296715 /nfs/dbraw/zinc/29/67/15/170296715.db2.gz VFJXAIGNJXXWCW-UHFFFAOYSA-N 0 0 218.256 2.189 10 30 BEEERN CCOCCC(=O)[C@@H](C#N)c1ccccc1F ZINC000049671704 170363839 /nfs/dbraw/zinc/36/38/39/170363839.db2.gz QIWLAMBFLYIRFF-NSHDSACASA-N 0 0 235.258 2.429 10 30 BEEERN CCOc1ccc([C@H](C#N)C(=O)CCOC)cc1 ZINC000037347617 170561913 /nfs/dbraw/zinc/56/19/13/170561913.db2.gz FXHGXWSSAABABO-ZDUSSCGKSA-N 0 0 247.294 2.298 10 30 BEEERN C=CCCOCCNc1nccnc1CCC ZINC000663750247 411737428 /nfs/dbraw/zinc/73/74/28/411737428.db2.gz KMOIHVCRVLTOAZ-UHFFFAOYSA-N 0 0 235.331 2.434 10 30 BEEERN CC[C@@H](C#N)C(=O)N[C@@H](C)Cc1ccc(F)cc1 ZINC000062034113 170659598 /nfs/dbraw/zinc/65/95/98/170659598.db2.gz GLCOHGAGGDAQBG-JQWIXIFHSA-N 0 0 248.301 2.423 10 30 BEEERN C=CCS(=O)(=O)N(C)CCC(C)(C)CC ZINC000664029822 411813174 /nfs/dbraw/zinc/81/31/74/411813174.db2.gz NKXDDWVIERKSRS-UHFFFAOYSA-N 0 0 233.377 2.260 10 30 BEEERN CC[C@@H]1CC[C@H](C#N)[C@H](n2cnc(C#N)n2)C1 ZINC000061842190 171046364 /nfs/dbraw/zinc/04/63/64/171046364.db2.gz BEHYBWVQLNXCQQ-GMTAPVOTSA-N 0 0 229.287 2.041 10 30 BEEERN CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(C=O)(CC)CC ZINC000051179442 171112806 /nfs/dbraw/zinc/11/28/06/171112806.db2.gz HCEFHCRVOBLJJF-CHWSQXEVSA-N 0 0 241.375 2.491 10 30 BEEERN CC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233918596 171124078 /nfs/dbraw/zinc/12/40/78/171124078.db2.gz FWCIGMVIHHIEQU-SFYZADRCSA-N 0 0 232.243 2.072 10 30 BEEERN CC[C@@H]1S/C(=N\c2cccc(O)c2)NC1=O ZINC000011638036 171153512 /nfs/dbraw/zinc/15/35/12/171153512.db2.gz ATDGFBYUCLKHBN-VIFPVBQESA-N 0 0 236.296 2.021 10 30 BEEERN CC[C@@](C#N)(NCC(F)(F)F)C(C)C ZINC000037970799 171161975 /nfs/dbraw/zinc/16/19/75/171161975.db2.gz FWDOIFOFKYPMSI-QMMMGPOBSA-N 0 0 208.227 2.467 10 30 BEEERN CC[C@H](C#N)C(=O)Nc1c(F)cccc1F ZINC000044814245 171218557 /nfs/dbraw/zinc/21/85/57/171218557.db2.gz QUWNMJSUVRSWDY-SSDOTTSWSA-N 0 0 224.210 2.453 10 30 BEEERN CC[C@H](C#N)Nc1ccc(F)c(C#N)c1 ZINC000051636480 171219340 /nfs/dbraw/zinc/21/93/40/171219340.db2.gz RGTJALAZIATOKY-SECBINFHSA-N 0 0 203.220 2.411 10 30 BEEERN CC[C@H](C)N(CC)c1ncc(N)cc1C#N ZINC000037759053 171311569 /nfs/dbraw/zinc/31/15/69/171311569.db2.gz TWTYFDCCPWPQFP-VIFPVBQESA-N 0 0 218.304 2.160 10 30 BEEERN CC[C@H](C)N(CC/C(N)=N/O)c1ccccc1 ZINC000020217396 171311689 /nfs/dbraw/zinc/31/16/89/171311689.db2.gz KCHLJPXVPLQGMX-NSHDSACASA-N 0 0 235.331 2.428 10 30 BEEERN CC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000020363667 171331981 /nfs/dbraw/zinc/33/19/81/171331981.db2.gz BUCAHNMCBBHVSE-WDEREUQCSA-N 0 0 246.310 2.240 10 30 BEEERN CC[C@H](C)N[C@H](C#N)c1ccc(OC)c(O)c1 ZINC000038064263 171346865 /nfs/dbraw/zinc/34/68/65/171346865.db2.gz UOKRTXGBWAYXES-GXSJLCMTSA-N 0 0 234.299 2.354 10 30 BEEERN CC[C@H](C)N[C@H](C#N)c1ccc(O)c(OC)c1 ZINC000038064715 171346891 /nfs/dbraw/zinc/34/68/91/171346891.db2.gz CLEBYQVUCWSMPZ-GXSJLCMTSA-N 0 0 234.299 2.354 10 30 BEEERN CC[C@H](C)N[C@H](C#N)c1ccc(O)c(O)c1 ZINC000038064215 171346953 /nfs/dbraw/zinc/34/69/53/171346953.db2.gz NDVBMDVCMKUZAZ-WCBMZHEXSA-N 0 0 220.272 2.051 10 30 BEEERN CC[C@H]1CCCCN1C(=O)c1ccc(C#N)nc1 ZINC000114995054 171605330 /nfs/dbraw/zinc/60/53/30/171605330.db2.gz XNPCHLQVBSQESS-ZDUSSCGKSA-N 0 0 243.310 2.358 10 30 BEEERN CC[C@H]1CCc2c(C#N)c(=O)[nH]c(C)c2C1 ZINC000027103055 171648584 /nfs/dbraw/zinc/64/85/84/171648584.db2.gz RMIIDEJYCXJXKA-VIFPVBQESA-N 0 0 216.284 2.070 10 30 BEEERN CC[C@H]1CCc2nc(N)c(C#N)cc2C1 ZINC000050871204 171648726 /nfs/dbraw/zinc/64/87/26/171648726.db2.gz IQRJKCPTYVSVAN-QMMMGPOBSA-N 0 0 201.273 2.050 10 30 BEEERN CCn1ccnc1COc1cc(F)cc(C#N)c1 ZINC000336792104 172226851 /nfs/dbraw/zinc/22/68/51/172226851.db2.gz QPJBTYNGIUTJTD-UHFFFAOYSA-N 0 0 245.257 2.493 10 30 BEEERN CN(C)/C=C\C(=O)/C=C\c1ccccc1 ZINC000033337195 172350449 /nfs/dbraw/zinc/35/04/49/172350449.db2.gz CPAPAUUVHVLWMO-XESWYYRISA-N 0 0 201.269 2.344 10 30 BEEERN CN(C)/C=C\C(=O)/C=C/c1ccccc1 ZINC000033337197 172350804 /nfs/dbraw/zinc/35/08/04/172350804.db2.gz CPAPAUUVHVLWMO-OCBXPSTGSA-N 0 0 201.269 2.344 10 30 BEEERN CN(C)C(=O)N1C=Cc2ccccc2[C@@H]1C#N ZINC000034077427 172376394 /nfs/dbraw/zinc/37/63/94/172376394.db2.gz DIHBQISMUSBLTK-LBPRGKRZSA-N 0 0 227.267 2.219 10 30 BEEERN CN(C[C@@H]1CCCOC1)c1ccccc1C#N ZINC000104192729 172814843 /nfs/dbraw/zinc/81/48/43/172814843.db2.gz UTLJMSAPVQYPJV-LBPRGKRZSA-N 0 0 230.311 2.421 10 30 BEEERN CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)C(C)(C)C#N ZINC000104242171 172835350 /nfs/dbraw/zinc/83/53/50/172835350.db2.gz CMFDLZQTFPQNGL-QJPTWQEYSA-N 0 0 234.343 2.431 10 30 BEEERN CN(c1ccccc1)c1nnccc1C#N ZINC000075619368 172949918 /nfs/dbraw/zinc/94/99/18/172949918.db2.gz 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174302994 /nfs/dbraw/zinc/30/29/94/174302994.db2.gz QFTVRFZJQWDKCP-LBPRGKRZSA-N 0 0 248.326 2.046 10 30 BEEERN COCCN[C@@H](C#N)c1ccc(OC(C)C)cc1 ZINC000020176540 174336862 /nfs/dbraw/zinc/33/68/62/174336862.db2.gz YIWGZULBHWMQPI-AWEZNQCLSA-N 0 0 248.326 2.274 10 30 BEEERN COCCN[C@H](C#N)c1ccc(Cl)cc1 ZINC000020174171 174339525 /nfs/dbraw/zinc/33/95/25/174339525.db2.gz PFBHMEDXFOXEQN-LLVKDONJSA-N 0 0 224.691 2.141 10 30 BEEERN COc1cc(Cl)c(/C(N)=N/O)cc1Cl ZINC000082606201 174987826 /nfs/dbraw/zinc/98/78/26/174987826.db2.gz UVNFXOZVKNSJEP-UHFFFAOYSA-N 0 0 235.070 2.097 10 30 BEEERN COc1cc(OC)cc(OCCCS)c1 ZINC000041249960 175010490 /nfs/dbraw/zinc/01/04/90/175010490.db2.gz GGZNJUIOMSNYML-UHFFFAOYSA-N 0 0 228.313 2.403 10 30 BEEERN COc1ccc(-c2c[nH]c(N)c2C#N)cc1OC ZINC000071610365 175029619 /nfs/dbraw/zinc/02/96/19/175029619.db2.gz IOLFBGIMWOXQJO-UHFFFAOYSA-N 0 0 243.266 2.153 10 30 BEEERN COc1ccc(/C=N/Cc2cccnc2)cc1O ZINC000018007828 175049001 /nfs/dbraw/zinc/04/90/01/175049001.db2.gz LCTLUOCGXFTQPV-LZYBPNLTSA-N 0 0 242.278 2.415 10 30 BEEERN COc1ccc(C(=O)[C@@H](C)CC#N)cc1 ZINC000033426639 175064969 /nfs/dbraw/zinc/06/49/69/175064969.db2.gz DJKYCQKSSQQOGI-VIFPVBQESA-N 0 0 203.241 2.428 10 30 BEEERN COc1ccc(Cl)c2ncc(C#N)c(N)c12 ZINC000050842974 175119803 /nfs/dbraw/zinc/11/98/03/175119803.db2.gz QNUMBNVYTQGZBN-UHFFFAOYSA-N 0 0 233.658 2.351 10 30 BEEERN COc1ccc(Oc2ncc(N)cc2C#N)cc1 ZINC000037759273 175173489 /nfs/dbraw/zinc/17/34/89/175173489.db2.gz BOCOAGLBTQYIRK-UHFFFAOYSA-N 0 0 241.250 2.336 10 30 BEEERN COc1ccc(SCCC=O)c(OC)c1 ZINC000019686175 175175305 /nfs/dbraw/zinc/17/53/05/175175305.db2.gz DUZUUBOITPEDLJ-UHFFFAOYSA-N 0 0 226.297 2.385 10 30 BEEERN COc1ccc2c(c1C#N)CCCC2=O ZINC000039386059 175220274 /nfs/dbraw/zinc/22/02/74/175220274.db2.gz LWLTXEMZCOYFNE-UHFFFAOYSA-N 0 0 201.225 2.086 10 30 BEEERN COc1ccc2snc(CC#N)c2c1 ZINC000075604693 175231965 /nfs/dbraw/zinc/23/19/65/175231965.db2.gz QXXNOWRLNBLOFU-UHFFFAOYSA-N 0 0 204.254 2.371 10 30 BEEERN COc1cccc(C(=O)N(CCC#N)C2CC2)c1 ZINC000042359503 175243497 /nfs/dbraw/zinc/24/34/97/175243497.db2.gz VGAZZUFFNZHQHK-UHFFFAOYSA-N 0 0 244.294 2.213 10 30 BEEERN COc1cccc(C2=CC(=O)CCC2)n1 ZINC000045495060 175248952 /nfs/dbraw/zinc/24/89/52/175248952.db2.gz IOGYBJGPCFGCSS-UHFFFAOYSA-N 0 0 203.241 2.227 10 30 BEEERN COc1cccc(N(C)C[C@@H](C)C#N)c1 ZINC000049812934 175275236 /nfs/dbraw/zinc/27/52/36/175275236.db2.gz QYZLOOJHQNEUGI-JTQLQIEISA-N 0 0 204.273 2.291 10 30 BEEERN COc1cccc(N[C@H](C#N)[C@@H]2CCOC2)c1 ZINC000037937734 175279927 /nfs/dbraw/zinc/27/99/27/175279927.db2.gz ZDQLHAISFUOKGV-ZWNOBZJWSA-N 0 0 232.283 2.036 10 30 BEEERN COc1cccc(OC)c1OCCCC#N ZINC000019430968 175281763 /nfs/dbraw/zinc/28/17/63/175281763.db2.gz FAOQGOXCUWGOJE-UHFFFAOYSA-N 0 0 221.256 2.386 10 30 BEEERN COc1cccc([C@H](C#N)NC2CC2)c1OC ZINC000020176886 175291648 /nfs/dbraw/zinc/29/16/48/175291648.db2.gz KYFDQYSEUPVCTF-NSHDSACASA-N 0 0 232.283 2.020 10 30 BEEERN COc1ccccc1C(=O)NC1(C#N)CCCC1 ZINC000040216301 175317547 /nfs/dbraw/zinc/31/75/47/175317547.db2.gz YKKRCYWORQCFOM-UHFFFAOYSA-N 0 0 244.294 2.261 10 30 BEEERN COc1ccccc1C(=O)[C@@H](C)CC#N ZINC000033426635 175319308 /nfs/dbraw/zinc/31/93/08/175319308.db2.gz RWWTYYXKROIBTG-VIFPVBQESA-N 0 0 203.241 2.428 10 30 BEEERN COc1ccccc1[C@@H](C#N)NC[C@@H]1CCCO1 ZINC000037940018 175343721 /nfs/dbraw/zinc/34/37/21/175343721.db2.gz HSPYKZIHFRWFHI-WCQYABFASA-N 0 0 246.310 2.028 10 30 BEEERN CS[C@@H]1CCC[C@H](Nc2cnc(C#N)cn2)C1 ZINC000124965722 175549144 /nfs/dbraw/zinc/54/91/44/175549144.db2.gz ZSVODJSGAIIQRU-GXSJLCMTSA-N 0 0 248.355 2.434 10 30 BEEERN C[C@@H](C#N)CC(=O)c1ccc2c(c1)OCO2 ZINC000043368330 175595691 /nfs/dbraw/zinc/59/56/91/175595691.db2.gz USGITYNSSYCGNS-MRVPVSSYSA-N 0 0 217.224 2.148 10 30 BEEERN C[C@@H](C#N)CN(C)c1c(N)ccc(F)c1F ZINC000053166973 175596168 /nfs/dbraw/zinc/59/61/68/175596168.db2.gz WBFIZRUOXNNTKW-ZETCQYMHSA-N 0 0 225.242 2.143 10 30 BEEERN C[C@@H](C#N)CS(=O)(=O)c1cccc(Cl)c1 ZINC000020223411 175596901 /nfs/dbraw/zinc/59/69/01/175596901.db2.gz JVRKYGPEFQMWHL-QMMMGPOBSA-N 0 0 243.715 2.273 10 30 BEEERN C[C@@H](C#N)CS(=O)(=O)c1ccc(Cl)s1 ZINC000020223381 175597437 /nfs/dbraw/zinc/59/74/37/175597437.db2.gz KWMPUNUFCATMLN-LURJTMIESA-N 0 0 249.744 2.335 10 30 BEEERN C[C@@H](Oc1cccc2ccccc21)/C(N)=N/O ZINC000004213940 176005622 /nfs/dbraw/zinc/00/56/22/176005622.db2.gz KLWGWDOTUDKLKT-SECBINFHSA-N 0 0 230.267 2.354 10 30 in-man BEEERN C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000135259843 176191216 /nfs/dbraw/zinc/19/12/16/176191216.db2.gz USEJKLKFGFEYQS-PELKAZGASA-N 0 0 248.257 2.061 10 30 BEEERN C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000160282308 176191587 /nfs/dbraw/zinc/19/15/87/176191587.db2.gz BPSKRHAZIZPINB-PELKAZGASA-N 0 0 248.257 2.061 10 30 BEEERN C[C@@H]1CN(c2ccccc2C#N)CCCO1 ZINC000061932231 176319843 /nfs/dbraw/zinc/31/98/43/176319843.db2.gz NNYYXXXNPCPMJU-LLVKDONJSA-N 0 0 216.284 2.173 10 30 BEEERN C[C@@H]1C[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1 ZINC000040215227 176386787 /nfs/dbraw/zinc/38/67/87/176386787.db2.gz UDMRHQQVHBOKKX-USWWRNFRSA-N 0 0 214.268 2.023 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000103085102 176399361 /nfs/dbraw/zinc/39/93/61/176399361.db2.gz OJWJRBYGVZVXOZ-SKDRFNHKSA-N 0 0 246.335 2.175 10 30 BEEERN C[C@@H]1O[C@H]1Oc1ccc2ncsc2c1 ZINC000045237597 176485342 /nfs/dbraw/zinc/48/53/42/176485342.db2.gz GUYYYXDUVWQCID-WKEGUHRASA-N 0 0 207.254 2.420 10 30 BEEERN C[C@@]1(O)CC(=O)C=C(c2cccc(F)c2)C1 ZINC000040174990 176540098 /nfs/dbraw/zinc/54/00/98/176540098.db2.gz CCGUUEXPANUGTI-ZDUSSCGKSA-N 0 0 220.243 2.323 10 30 BEEERN C[C@H](C#N)N[C@@H]1CCOc2ccccc21 ZINC000051986889 176555150 /nfs/dbraw/zinc/55/51/50/176555150.db2.gz JADALTCOIAPEDN-MWLCHTKSSA-N 0 0 202.257 2.012 10 30 BEEERN C[C@H](C=O)c1ccc2c(c1)OCCCO2 ZINC000036157883 176595824 /nfs/dbraw/zinc/59/58/24/176595824.db2.gz ZFMCRGQSZXENOB-SECBINFHSA-N 0 0 206.241 2.150 10 30 BEEERN C[C@H](c1ccccc1)[C@@H](C#N)NC1CC1 ZINC000041046397 177039966 /nfs/dbraw/zinc/03/99/66/177039966.db2.gz PNPOCFZHPJDMMM-ZWNOBZJWSA-N 0 0 200.285 2.434 10 30 BEEERN C[C@H](c1ncncc1C#N)C(F)(F)F ZINC000095643284 177053915 /nfs/dbraw/zinc/05/39/15/177053915.db2.gz CEMXVTAYHFCOBU-RXMQYKEDSA-N 0 0 201.151 2.014 10 30 BEEERN C[C@H]1CCCC[C@@H]1N(C)c1nccc(C#N)n1 ZINC000231899288 177082079 /nfs/dbraw/zinc/08/20/79/177082079.db2.gz MIFZJZSCYZCFFG-JQWIXIFHSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@H]1CCCC[C@@H]1Oc1ncc(N)cc1C#N ZINC000037759306 177084182 /nfs/dbraw/zinc/08/41/82/177084182.db2.gz WVPSORDVZXODRL-CABZTGNLSA-N 0 0 231.299 2.493 10 30 BEEERN C[C@@H]1CC[C@H](C)c2cc(C#N)c(=O)[nH]c21 ZINC000049812453 177187127 /nfs/dbraw/zinc/18/71/27/177187127.db2.gz YMLGKRXKDKNGFJ-JGVFFNPUSA-N 0 0 202.257 2.247 10 30 BEEERN C[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2)O1 ZINC000124836099 177197096 /nfs/dbraw/zinc/19/70/96/177197096.db2.gz RQXHGNOJVINRNM-JOYOIKCWSA-N 0 0 230.267 2.064 10 30 BEEERN C[C@H]1CN(c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000019867439 177276550 /nfs/dbraw/zinc/27/65/50/177276550.db2.gz CCBDDYXYZGBRMN-QWRGUYRKSA-N 0 0 216.284 2.172 10 30 BEEERN C[C@@H]1COC[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000151493710 177297816 /nfs/dbraw/zinc/29/78/16/177297816.db2.gz FZDNRPHRNJAQCM-BETUJISGSA-N 0 0 247.313 2.286 10 30 BEEERN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(C#N)nc2)C1 ZINC000115315158 177357768 /nfs/dbraw/zinc/35/77/68/177357768.db2.gz VPLHUAWLCWKWBB-QWRGUYRKSA-N 0 0 243.310 2.071 10 30 BEEERN C[C@]1(O)CC(=O)C=C(c2cccc(F)c2)C1 ZINC000040174992 177471299 /nfs/dbraw/zinc/47/12/99/177471299.db2.gz CCGUUEXPANUGTI-CYBMUJFWSA-N 0 0 220.243 2.323 10 30 BEEERN N#CC[C@@H]1OC(=O)c2ccc(Cl)cc21 ZINC000238529819 487666973 /nfs/dbraw/zinc/66/69/73/487666973.db2.gz ZXYQQVXXQDOQJR-VIFPVBQESA-N 0 0 207.616 2.465 10 30 BEEERN CC(C)(C)C(=O)[C@@H](C#N)c1ccncc1 ZINC000087618569 487672679 /nfs/dbraw/zinc/67/26/79/487672679.db2.gz PTGXVZNDPCLSRZ-JTQLQIEISA-N 0 0 202.257 2.304 10 30 BEEERN C[C@H]1CSC[C@@]1(O)c1ccc(C#N)cc1 ZINC000521401499 267895700 /nfs/dbraw/zinc/89/57/00/267895700.db2.gz INJGUVONGVAMMP-CABZTGNLSA-N 0 0 219.309 2.129 10 30 BEEERN CC(C)N(CCC#N)C(=O)C1CC(C)C1 ZINC000531000648 322958272 /nfs/dbraw/zinc/95/82/72/322958272.db2.gz HTYCEGGKKGWDGI-UHFFFAOYSA-N 0 0 208.305 2.183 10 30 BEEERN C[C@H]1CC[C@H](CO)CN1c1cccc(F)c1C#N ZINC000119403185 487920261 /nfs/dbraw/zinc/92/02/61/487920261.db2.gz ZNRSNEYHOZYAEL-QWRGUYRKSA-N 0 0 248.301 2.295 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235304311 487941109 /nfs/dbraw/zinc/94/11/09/487941109.db2.gz ASSLJCLUUKQUGS-UHNVWZDZSA-N 0 0 213.693 2.488 10 30 BEEERN CSCCCC(=O)N[C@@](C)(C#N)C(C)C ZINC000134737552 323025492 /nfs/dbraw/zinc/02/54/92/323025492.db2.gz JOZMYEOIFPOQBB-NSHDSACASA-N 0 0 228.361 2.184 10 30 BEEERN CC[C@H]1CC[C@@H](C)N1c1cnc(C#N)cn1 ZINC000136153255 323031045 /nfs/dbraw/zinc/03/10/45/323031045.db2.gz YIOXZSPYJSMAOP-KOLCDFICSA-N 0 0 216.288 2.116 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)Nc2sccc2C#N)O1 ZINC000153261344 323050596 /nfs/dbraw/zinc/05/05/96/323050596.db2.gz AYDLUUPBLJRNQT-CBAPKCEASA-N 0 0 236.296 2.126 10 30 BEEERN C=CCNC(=O)c1cc2c(cc1O)CCCC2 ZINC000049179967 323158569 /nfs/dbraw/zinc/15/85/69/323158569.db2.gz GYHVFVGEBUSLHQ-UHFFFAOYSA-N 0 0 231.295 2.187 10 30 BEEERN C[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000112010219 323164700 /nfs/dbraw/zinc/16/47/00/323164700.db2.gz IFOIHRKHQKFGSU-RTXFEEFZSA-N 0 0 228.295 2.208 10 30 BEEERN CC[C@]1(C#N)COc2c(F)ccc(F)c2O1 ZINC000536952679 323958994 /nfs/dbraw/zinc/95/89/94/323958994.db2.gz DOLQLHPVRJUYTG-NSHDSACASA-N 0 0 225.194 2.408 10 30 BEEERN N#Cc1ccccc1[C@H]1CNC(=O)C12CCCC2 ZINC000536954686 323963230 /nfs/dbraw/zinc/96/32/30/323963230.db2.gz SBAXOZJIZVIFKB-CYBMUJFWSA-N 0 0 240.306 2.332 10 30 BEEERN C[C@]1(C#N)COc2c(F)ccc(F)c2O1 ZINC000536955307 323965196 /nfs/dbraw/zinc/96/51/96/323965196.db2.gz OTJXNSPMZZWFTF-JTQLQIEISA-N 0 0 211.167 2.018 10 30 BEEERN N#Cc1cccc(N=S2(=O)CCCC2)c1 ZINC000536957264 323967926 /nfs/dbraw/zinc/96/79/26/323967926.db2.gz HMNIKQYXTCZZTP-UHFFFAOYSA-N 0 0 220.297 2.452 10 30 BEEERN C=CCN(C)Cc1ccsc1C(=O)OC ZINC000121396681 324010264 /nfs/dbraw/zinc/01/02/64/324010264.db2.gz CELYIGCASIACAT-UHFFFAOYSA-N 0 0 225.313 2.153 10 30 BEEERN C[C@@H]1CC[C@@H](CC(=O)N[C@@H](C#N)C2CC2)C1 ZINC000129285563 324934245 /nfs/dbraw/zinc/93/42/45/324934245.db2.gz ZPBTUDSHKHCYCS-FOGDFJRCSA-N 0 0 220.316 2.231 10 30 BEEERN C=CCNC(=O)Cc1cccc(CC)c1 ZINC000131332681 325137868 /nfs/dbraw/zinc/13/78/68/325137868.db2.gz FFPAJEUUZYDKCI-UHFFFAOYSA-N 0 0 203.285 2.094 10 30 BEEERN C=CCCCN(C)C(=O)NCc1cncc(C)c1 ZINC000134542867 325364934 /nfs/dbraw/zinc/36/49/34/325364934.db2.gz LKSGRDMVVIERSY-UHFFFAOYSA-N 0 0 247.342 2.498 10 30 BEEERN C=C[C@@](C)(CC)C(=O)NCc1cscn1 ZINC000134995827 325387238 /nfs/dbraw/zinc/38/72/38/325387238.db2.gz GLUGHYJPEYDILK-NSHDSACASA-N 0 0 224.329 2.362 10 30 BEEERN Cc1c([C@H](C)NCc2ccc(C#N)o2)cnn1C ZINC000135147486 325397123 /nfs/dbraw/zinc/39/71/23/325397123.db2.gz CJYDAESUDLGKCZ-VIFPVBQESA-N 0 0 244.298 2.044 10 30 BEEERN C[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2C#N)O1 ZINC000135185912 325399566 /nfs/dbraw/zinc/39/95/66/325399566.db2.gz PFPJDXYCGIDAPK-QPUJVOFHSA-N 0 0 248.257 2.203 10 30 BEEERN C=CC[C@H](C)[C@@H](CC1CCC1)S(N)(=O)=O ZINC000584600278 488018325 /nfs/dbraw/zinc/01/83/25/488018325.db2.gz FQGUIFDAZPUIDZ-GXSJLCMTSA-N 0 0 231.361 2.046 10 30 BEEERN CO[C@H]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000301758064 488025185 /nfs/dbraw/zinc/02/51/85/488025185.db2.gz FDVCGNZINIWIBB-NEPJUHHUSA-N 0 0 231.299 2.323 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)CC1CCCC1 ZINC000061889155 488066271 /nfs/dbraw/zinc/06/62/71/488066271.db2.gz OBJXLDMOURCOCM-VXGBXAGGSA-N 0 0 220.316 2.375 10 30 BEEERN C=C[C@H](C(=O)[O-])[N@@H+]1CCC2(C1)CCCCC2 ZINC000380866074 487489197 /nfs/dbraw/zinc/48/91/97/487489197.db2.gz WAVVBZGGJVKTMY-LLVKDONJSA-N 0 0 223.316 2.282 10 30 BEEERN C=CCN(c1ccc(C)cc1)S(=O)(=O)C=C ZINC000584646512 490183513 /nfs/dbraw/zinc/18/35/13/490183513.db2.gz KYAWSTRHPFCCJZ-UHFFFAOYSA-N 0 0 237.324 2.461 10 30 BEEERN C=C[C@H](C)NC(=S)NCCCCC ZINC000757132592 582508015 /nfs/dbraw/zinc/50/80/15/582508015.db2.gz COKREAQTHHLTJH-VIFPVBQESA-N 0 0 200.351 2.215 10 30 BEEERN OCC#CCNc1cccc2ccsc21 ZINC000757133052 582509146 /nfs/dbraw/zinc/50/91/46/582509146.db2.gz SQHOUJKAAGRJAJ-UHFFFAOYSA-N 0 0 217.293 2.309 10 30 BEEERN O=C1Nc2cccc(Br)c2[C@@H]1S ZINC000757162841 582545445 /nfs/dbraw/zinc/54/54/45/582545445.db2.gz JGSJUWQMTSEUEK-ZETCQYMHSA-N 0 0 244.113 2.372 10 30 BEEERN CCc1ccc(CS[C@H](C)[C@H](N)C#N)o1 ZINC000757163958 582545792 /nfs/dbraw/zinc/54/57/92/582545792.db2.gz FYSOKNMDDOIWQK-LDYMZIIASA-N 0 0 224.329 2.315 10 30 BEEERN CCc1ccc(CS[C@H](C)[C@@H](N)C#N)o1 ZINC000757163955 582545956 /nfs/dbraw/zinc/54/59/56/582545956.db2.gz FYSOKNMDDOIWQK-KCJUWKMLSA-N 0 0 224.329 2.315 10 30 BEEERN C[C@H](CC(F)(F)F)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000402541007 533739544 /nfs/dbraw/zinc/73/95/44/533739544.db2.gz BSUFROXKBQPLDQ-VGMNWLOBSA-N 0 0 248.248 2.383 10 30 BEEERN C=CC[C@H](C)NC(=O)c1cccc(NC(C)=O)c1 ZINC000116856240 534347661 /nfs/dbraw/zinc/34/76/61/534347661.db2.gz JIBBIBMXFIWOOW-JTQLQIEISA-N 0 0 246.310 2.339 10 30 BEEERN CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C=O ZINC000114814071 518798678 /nfs/dbraw/zinc/79/86/78/518798678.db2.gz YAOIGHGUUSCYRF-VIFPVBQESA-N 0 0 227.304 2.221 10 30 BEEERN C=CCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000116159226 518965049 /nfs/dbraw/zinc/96/50/49/518965049.db2.gz LLHKBNDOUKNECU-UHFFFAOYSA-N 0 0 213.624 2.241 10 30 BEEERN CC1=CC(=O)C[C@H](C)[C@H]1C(=O)OC(C)C ZINC000117783235 520849435 /nfs/dbraw/zinc/84/94/35/520849435.db2.gz TWLBIJCLHLNTLZ-ONGXEEELSA-N 0 0 210.273 2.109 10 30 BEEERN C=CCCC(=O)N(C)CCc1ncc(C)s1 ZINC000124038529 534602740 /nfs/dbraw/zinc/60/27/40/534602740.db2.gz PFUJPDFLTLLAEJ-UHFFFAOYSA-N 0 0 238.356 2.419 10 30 BEEERN C=C[C@H](C)c1noc([C@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC000333648029 534672340 /nfs/dbraw/zinc/67/23/40/534672340.db2.gz JJBDRQCNLQMGSO-QEYWKRMJSA-N 0 0 232.283 2.442 10 30 BEEERN C=CCCCN(C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000076946559 534701754 /nfs/dbraw/zinc/70/17/54/534701754.db2.gz KSWRSUVRJNXNCE-NWDGAFQWSA-N 0 0 240.347 2.162 10 30 BEEERN C=CCCCN(C)C(=O)NCCOCC(=C)C ZINC000135028722 534701783 /nfs/dbraw/zinc/70/17/83/534701783.db2.gz FZJBICBKUDTPMF-UHFFFAOYSA-N 0 0 240.347 2.187 10 30 BEEERN CC#CCNC(=O)c1ccc(C)c(OCC)c1 ZINC000121427827 534715168 /nfs/dbraw/zinc/71/51/68/534715168.db2.gz UKRWSRRPJIQJJS-UHFFFAOYSA-N 0 0 231.295 2.147 10 30 BEEERN CC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)CO1 ZINC000072207794 523745639 /nfs/dbraw/zinc/74/56/39/523745639.db2.gz BADMUOAKNHPPGE-KCJUWKMLSA-N 0 0 215.293 2.079 10 30 BEEERN CC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)CO1 ZINC000072207796 523746307 /nfs/dbraw/zinc/74/63/07/523746307.db2.gz BADMUOAKNHPPGE-KWQFWETISA-N 0 0 215.293 2.079 10 30 BEEERN C=CCCOCC[NH2+]Cc1cccc(F)c1[O-] ZINC000226618065 534776275 /nfs/dbraw/zinc/77/62/75/534776275.db2.gz REVSDTKEBNCJKR-UHFFFAOYSA-N 0 0 239.290 2.214 10 30 BEEERN C[C@H]1C[C@H](C=O)CCN1C(=O)OC(C)(C)C ZINC000138412228 524893868 /nfs/dbraw/zinc/89/38/68/524893868.db2.gz LTVKOAXXMXYLCK-VHSXEESVSA-N 0 0 227.304 2.221 10 30 BEEERN ON=Cc1sccc1Br ZINC000254624804 527643323 /nfs/dbraw/zinc/64/33/23/527643323.db2.gz SBOXMASGXILSPY-UHFFFAOYSA-N 0 0 206.064 2.319 10 30 BEEERN CC[C@@H](C#N)N1CCCc2ccc(N)cc21 ZINC000051296874 535390472 /nfs/dbraw/zinc/39/04/72/535390472.db2.gz KEQVAERFSUFQOM-LBPRGKRZSA-N 0 0 215.300 2.324 10 30 BEEERN CCc1cccc(CC(=O)N[C@@H](C#N)CC)c1 ZINC000121033414 535874462 /nfs/dbraw/zinc/87/44/62/535874462.db2.gz IBWBSHXEQPJYMF-CYBMUJFWSA-N 0 0 230.311 2.210 10 30 BEEERN SCc1noc2c1CCc1cnccc1-2 ZINC000725253021 538035114 /nfs/dbraw/zinc/03/51/14/538035114.db2.gz SDJTWNYOBKANAL-UHFFFAOYSA-N 0 0 218.281 2.265 10 30 BEEERN CCCC1(CCC)O[C@]1(Cl)C(=O)OC ZINC000232916468 566491769 /nfs/dbraw/zinc/49/17/69/566491769.db2.gz MROGTWIIBINLOB-SNVBAGLBSA-N 0 0 220.696 2.464 10 30 BEEERN COc1ccc2ccc(=O)oc2c1/C=C\C(C)=O ZINC000095914080 560056129 /nfs/dbraw/zinc/05/61/29/560056129.db2.gz FNFVAKUIMOKUQL-UTCJRWHESA-N 0 0 244.246 2.404 10 30 biogenic,in-vitro BEEERN C=C(C)[C@H]1Cc2cc(C(C)=O)c(O)cc2O1 ZINC000004097771 560195001 /nfs/dbraw/zinc/19/50/01/560195001.db2.gz FHJSLVLVJPGFRY-GFCCVEGCSA-N 0 0 218.252 2.474 10 30 biogenic,in-vitro BEEERN COC(=O)[C@@]1(Cl)O[C@]1(C)CCC(C)C ZINC000234588464 582460297 /nfs/dbraw/zinc/46/02/97/582460297.db2.gz WRHQKICCAPBUJE-NXEZZACHSA-N 0 0 220.696 2.320 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@@]1(C)c1cccc(C)c1 ZINC000234593215 582461039 /nfs/dbraw/zinc/46/10/39/582461039.db2.gz DKBQJAODWBEHBA-RYUDHWBXSA-N 0 0 240.686 2.349 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@]1(C)c1cccc(C)c1 ZINC000234598695 582461878 /nfs/dbraw/zinc/46/18/78/582461878.db2.gz DKBQJAODWBEHBA-NEPJUHHUSA-N 0 0 240.686 2.349 10 30 BEEERN C=C[C@H](C)NC(=S)Nc1ccccc1O ZINC000757135986 582514687 /nfs/dbraw/zinc/51/46/87/582514687.db2.gz XIMNBRDYPZTUMD-QMMMGPOBSA-N 0 0 222.313 2.253 10 30 BEEERN C=C[C@@H](C)NC(=S)Nc1ccccc1O ZINC000757135983 582515031 /nfs/dbraw/zinc/51/50/31/582515031.db2.gz XIMNBRDYPZTUMD-MRVPVSSYSA-N 0 0 222.313 2.253 10 30 BEEERN CN[C@@](C)(C#N)CSCc1occc1C ZINC000757162755 582545672 /nfs/dbraw/zinc/54/56/72/582545672.db2.gz ATZSAJLJTPFQIQ-NSHDSACASA-N 0 0 224.329 2.323 10 30 BEEERN CN[C@@H](C#N)CSCc1ccc(Cl)o1 ZINC000757169831 582550001 /nfs/dbraw/zinc/55/00/01/582550001.db2.gz MMGZMWMXXYEGEA-ZETCQYMHSA-N 0 0 230.720 2.278 10 30 BEEERN CN(C)/C=C/C(=O)c1cccc(F)c1F ZINC000234259702 582607922 /nfs/dbraw/zinc/60/79/22/582607922.db2.gz QZALCYDTEAHSAX-VOTSOKGWSA-N 0 0 211.211 2.223 10 30 BEEERN CC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000104418397 582666428 /nfs/dbraw/zinc/66/64/28/582666428.db2.gz MPQPMXGMOUUMOT-CYBMUJFWSA-N 0 0 243.310 2.067 10 30 BEEERN C[C@@H](OC(=O)[C@H]1CCCCO1)C(C)(C)C#N ZINC000130545561 582866425 /nfs/dbraw/zinc/86/64/25/582866425.db2.gz OYAIMJMEYMWQMK-NXEZZACHSA-N 0 0 225.288 2.037 10 30 BEEERN C#CCNC(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000115642752 588911651 /nfs/dbraw/zinc/91/16/51/588911651.db2.gz LGWBHFSWUWYLHM-NEPJUHHUSA-N 0 0 222.332 2.135 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@]1(C)c1ccccc1F ZINC000234599112 583939189 /nfs/dbraw/zinc/93/91/89/583939189.db2.gz PRDHTHXVWMZBLV-MNOVXSKESA-N 0 0 244.649 2.179 10 30 BEEERN C[C@@H]1C[C@H](S)CN1C(=O)OC(C)(C)C ZINC000200474144 588980260 /nfs/dbraw/zinc/98/02/60/588980260.db2.gz HBKAPPHVTBDWEM-SFYZADRCSA-N 0 0 217.334 2.314 10 30 BEEERN C#CCNC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000103247188 585081693 /nfs/dbraw/zinc/08/16/93/585081693.db2.gz MSWFLJKLMMIMGE-NEPJUHHUSA-N 0 0 222.332 2.134 10 30 BEEERN CS[C@H](C)C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000103329175 585098056 /nfs/dbraw/zinc/09/80/56/585098056.db2.gz OFGZIMRWFKSKLE-HTQZYQBOSA-N 0 0 240.353 2.379 10 30 BEEERN CCO[C@@H](C)C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000103635716 586168829 /nfs/dbraw/zinc/16/88/29/586168829.db2.gz JFLPBRCJKNVXML-IUCAKERBSA-N 0 0 238.312 2.053 10 30 BEEERN C=CCCOC(=O)[C@H](C)Oc1ccccc1C#N ZINC000103649626 586261019 /nfs/dbraw/zinc/26/10/19/586261019.db2.gz IJRPEUSEHOTPPM-NSHDSACASA-N 0 0 245.278 2.445 10 30 BEEERN C[C@@H](CS)CNC(=O)OC(C)(C)C ZINC000757162105 586431516 /nfs/dbraw/zinc/43/15/16/586431516.db2.gz BSGWGKLMYVMUNC-SSDOTTSWSA-N 0 0 205.323 2.077 10 30 BEEERN C=CCn1nc(Cl)c(N)c1C(F)(F)F ZINC000757567621 586461781 /nfs/dbraw/zinc/46/17/81/586461781.db2.gz JUAOJAWKNHIPPE-UHFFFAOYSA-N 0 0 225.601 2.324 10 30 BEEERN C#CC[C@@H](OC(=O)CCSC)c1ccccn1 ZINC000105549487 588199819 /nfs/dbraw/zinc/19/98/19/588199819.db2.gz CCSJFMXCUVNIMH-GFCCVEGCSA-N 0 0 249.335 2.442 10 30 BEEERN C#CC[C@H](OC(=O)[C@@H](C)SC)c1ccccn1 ZINC000105549597 588199949 /nfs/dbraw/zinc/19/99/49/588199949.db2.gz KKWMJAHUSXTQGH-PWSUYJOCSA-N 0 0 249.335 2.441 10 30 BEEERN C#CCOc1cccc(COC(=O)C(C)C)c1 ZINC000107021002 588322907 /nfs/dbraw/zinc/32/29/07/588322907.db2.gz VNOLPWIMVMOZKK-UHFFFAOYSA-N 0 0 232.279 2.398 10 30 BEEERN C#CCOc1ccccc1OC(=O)C1CC1 ZINC000107192543 588337481 /nfs/dbraw/zinc/33/74/81/588337481.db2.gz ALPUCSCJGJXKJK-UHFFFAOYSA-N 0 0 216.236 2.014 10 30 BEEERN C#CCOc1ccccc1OC(=O)[C@H]1C[C@@H]1C ZINC000107192212 588337855 /nfs/dbraw/zinc/33/78/55/588337855.db2.gz UWQQDCPQFBZKSF-QWRGUYRKSA-N 0 0 230.263 2.260 10 30 BEEERN C#CCOc1ccccc1OC(=O)[C@@H]1C[C@H]1C ZINC000107192216 588337889 /nfs/dbraw/zinc/33/78/89/588337889.db2.gz UWQQDCPQFBZKSF-GHMZBOCLSA-N 0 0 230.263 2.260 10 30 BEEERN CCCCCCC(=O)N[C@H](C#N)C1CC1 ZINC000108839949 588489429 /nfs/dbraw/zinc/48/94/29/588489429.db2.gz WLIXERDHPCEFPJ-LLVKDONJSA-N 0 0 208.305 2.375 10 30 BEEERN C=CCCCOC(=O)c1ccc(C#N)nc1 ZINC000117995686 589146436 /nfs/dbraw/zinc/14/64/36/589146436.db2.gz WJHFXFZVALVFMC-UHFFFAOYSA-N 0 0 216.240 2.076 10 30 BEEERN COc1cccc(C#CCOC(=O)C2(C)CC2)c1 ZINC000121189129 589512802 /nfs/dbraw/zinc/51/28/02/589512802.db2.gz VWBAKCDSKICEOM-UHFFFAOYSA-N 0 0 244.290 2.390 10 30 BEEERN C#CC[C@H](OC(=O)C[C@H]1CCCCO1)C1CC1 ZINC000122094201 589553863 /nfs/dbraw/zinc/55/38/63/589553863.db2.gz SDTGGWGFAYOJQY-OLZOCXBDSA-N 0 0 236.311 2.291 10 30 BEEERN COCCC1(C(=O)[C@@H](C#N)c2ccccn2)CC1 ZINC000122397252 589585388 /nfs/dbraw/zinc/58/53/88/589585388.db2.gz RLUNENYWALYZSC-NSHDSACASA-N 0 0 244.294 2.075 10 30 BEEERN C=C(Br)CNCc1ccoc1 ZINC000122705264 589620479 /nfs/dbraw/zinc/62/04/79/589620479.db2.gz FHUGFJNLDUNLPH-UHFFFAOYSA-N 0 0 216.078 2.278 10 30 BEEERN C#C[C@@H](C)OC(=O)c1cnc(C(C)C)s1 ZINC000124467249 590017039 /nfs/dbraw/zinc/01/70/39/590017039.db2.gz PDAAMYKBPMIPBO-MRVPVSSYSA-N 0 0 223.297 2.445 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)OCc2ccc(C#N)cc2)O1 ZINC000124592125 590060374 /nfs/dbraw/zinc/06/03/74/590060374.db2.gz SLKGIBLHTQKUQM-ZWNOBZJWSA-N 0 0 245.278 2.169 10 30 BEEERN C#Cc1cccc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000126197177 590247265 /nfs/dbraw/zinc/24/72/65/590247265.db2.gz MTCOUFKPWKEOTA-ZWNOBZJWSA-N 0 0 229.279 2.174 10 30 BEEERN C[C@H](OC(=O)Cc1ccoc1)C(C)(C)C#N ZINC000127174677 590588275 /nfs/dbraw/zinc/58/82/75/590588275.db2.gz FSCOLIUVRDKSLR-VIFPVBQESA-N 0 0 221.256 2.304 10 30 BEEERN C#CCC(C)(C)COC(=O)c1ccnn1CC ZINC000127558035 590705693 /nfs/dbraw/zinc/70/56/93/590705693.db2.gz AOUJFBNIEBHTOW-UHFFFAOYSA-N 0 0 234.299 2.109 10 30 BEEERN C#CCC(C)(C)COC(=O)c1coc(CC)n1 ZINC000127558333 590706709 /nfs/dbraw/zinc/70/67/09/590706709.db2.gz ZHCHVWKHSFNXIJ-UHFFFAOYSA-N 0 0 235.283 2.443 10 30 BEEERN C#CC[C@H](OC(=O)c1ccc(C)cn1)C1CC1 ZINC000127713426 590758909 /nfs/dbraw/zinc/75/89/09/590758909.db2.gz MUOVOGIKNGTGGE-ZDUSSCGKSA-N 0 0 229.279 2.349 10 30 BEEERN C#C[C@@H](C)OC(=O)c1oc(CC)cc1C ZINC000129343863 591281783 /nfs/dbraw/zinc/28/17/83/591281783.db2.gz OXKJIIOLXYTXCG-SECBINFHSA-N 0 0 206.241 2.329 10 30 BEEERN CCOCCCC(=O)O[C@H](C)C(C)(C)C#N ZINC000130460520 591473729 /nfs/dbraw/zinc/47/37/29/591473729.db2.gz AXBFZRAPUKANPB-SNVBAGLBSA-N 0 0 227.304 2.285 10 30 BEEERN C[C@@H](OCC1CC1)C(=O)O[C@H](C)C(C)(C)C#N ZINC000130600583 591486885 /nfs/dbraw/zinc/48/68/85/591486885.db2.gz SZAPNVSUUITATH-NXEZZACHSA-N 0 0 239.315 2.283 10 30 BEEERN C[C@@H](OC(=O)c1cscn1)C(C)(C)C#N ZINC000130778170 591519108 /nfs/dbraw/zinc/51/91/08/591519108.db2.gz PDRJKPLCLIBGAA-SSDOTTSWSA-N 0 0 224.285 2.238 10 30 BEEERN C=CCCO[C@@H](C)C(=O)O[C@H](C)C(C)(C)C#N ZINC000131136484 591558059 /nfs/dbraw/zinc/55/80/59/591558059.db2.gz PWHNHOBFPILJKZ-WDEREUQCSA-N 0 0 239.315 2.449 10 30 BEEERN C#CC[C@@H](OC(=O)CCc1ccccn1)C1CC1 ZINC000132619860 591724298 /nfs/dbraw/zinc/72/42/98/591724298.db2.gz AIUBPTNXQPMSQQ-CQSZACIVSA-N 0 0 243.306 2.359 10 30 BEEERN C#CCCCCNC(=O)Nc1ccnn1CCC ZINC000132899281 591746673 /nfs/dbraw/zinc/74/66/73/591746673.db2.gz QJXYPDGPTQRKGL-UHFFFAOYSA-N 0 0 248.330 2.218 10 30 BEEERN C#C[C@@H](OC(=O)CC1CCSCC1)C1CC1 ZINC000134030006 591875313 /nfs/dbraw/zinc/87/53/13/591875313.db2.gz JNYHPEOSENGUEO-GFCCVEGCSA-N 0 0 238.352 2.475 10 30 BEEERN C#C[C@@H](OC(=O)/C=C/c1ccco1)C1CC1 ZINC000134096694 591886845 /nfs/dbraw/zinc/88/68/45/591886845.db2.gz FKTOAXGTHHMTHT-ABZNLYFFSA-N 0 0 216.236 2.248 10 30 BEEERN C#C[C@H](OC(=O)c1ccnn1C(C)C)C1CC1 ZINC000134116047 591888062 /nfs/dbraw/zinc/88/80/62/591888062.db2.gz BWLZYPNRQHJIMZ-LBPRGKRZSA-N 0 0 232.283 2.033 10 30 BEEERN C#C[C@@H](OC(=O)Cc1ccsc1)C1CC1 ZINC000134189233 591899704 /nfs/dbraw/zinc/89/97/04/591899704.db2.gz CKARFLIDCDNLCG-LLVKDONJSA-N 0 0 220.293 2.246 10 30 BEEERN C[C@@H]1C=C(I)C(=O)CC1 ZINC000217040720 592094791 /nfs/dbraw/zinc/09/47/91/592094791.db2.gz QDQYFPNEGXJLOC-YFKPBYRVSA-N 0 0 236.052 2.304 10 30 BEEERN CCCCCCCCC(=O)NC1COC1 ZINC000122173264 592711441 /nfs/dbraw/zinc/71/14/41/592711441.db2.gz YPYQOUVCHZRUFJ-UHFFFAOYSA-N 0 0 213.321 2.252 10 30 BEEERN Cc1nc(C#N)cc(N[C@@H](C)C(C)C)n1 ZINC000308406191 631324675 /nfs/dbraw/zinc/32/46/75/631324675.db2.gz JUIKVOCKUKMBFZ-QMMMGPOBSA-N 0 0 204.277 2.113 10 30 BEEERN C=CCNC(=S)N[C@H](CC)C(C)C ZINC000308489432 631401001 /nfs/dbraw/zinc/40/10/01/631401001.db2.gz QLEHXANQYXBCQE-SECBINFHSA-N 0 0 200.351 2.071 10 30 BEEERN Cc1nc([C@@H](C)NCCO[C@H](C)C#N)cs1 ZINC000309459263 632098721 /nfs/dbraw/zinc/09/87/21/632098721.db2.gz OJHLUOQBGGCUGE-RKDXNWHRSA-N 0 0 239.344 2.031 10 30 BEEERN C=C(C)COC(=O)c1c[nH]nc1C(C)C ZINC000061238741 632586920 /nfs/dbraw/zinc/58/69/20/632586920.db2.gz WSPUVBMSQCZXBV-UHFFFAOYSA-N 0 0 208.261 2.266 10 30 BEEERN Cc1ccc(O)cc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000311129925 634222549 /nfs/dbraw/zinc/22/25/49/634222549.db2.gz QPUVOAUBNORZHR-MFKMUULPSA-N 0 0 244.294 2.123 10 30 BEEERN COC[C@@H](C)C(=O)OCC(C)(C)CCC#N ZINC000195039938 634347510 /nfs/dbraw/zinc/34/75/10/634347510.db2.gz FLRVNINEBRZXBL-SNVBAGLBSA-N 0 0 227.304 2.142 10 30 BEEERN COc1ccc(C#CC(=O)OC(C)(C)C)cc1 ZINC000143243717 636253088 /nfs/dbraw/zinc/25/30/88/636253088.db2.gz HZRMFMIDQXKGHF-UHFFFAOYSA-N 0 0 232.279 2.388 10 30 BEEERN CSCCC(=O)OCc1ccc(C#N)cc1 ZINC000058034612 640663277 /nfs/dbraw/zinc/66/32/77/640663277.db2.gz JGBRNALLJXHKLN-UHFFFAOYSA-N 0 0 235.308 2.355 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccnc1Cl ZINC000061890250 641004439 /nfs/dbraw/zinc/00/44/39/641004439.db2.gz HLUQSHGQAQLONV-PSASIEDQSA-N 0 0 249.701 2.157 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)nc1 ZINC000061890264 641005161 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BEEERN Cc1cc(CN[C@H]2CCCC[C@@H]2C#N)on1 ZINC000054828012 178039821 /nfs/dbraw/zinc/03/98/21/178039821.db2.gz RNXJFTRHJDUHLB-PWSUYJOCSA-N 0 0 219.288 2.155 10 30 BEEERN Cc1cc(Cl)ccc1OCC/C(N)=N/O ZINC000019428423 178068485 /nfs/dbraw/zinc/06/84/85/178068485.db2.gz XZUFKQZFDWDNKQ-UHFFFAOYSA-N 0 0 228.679 2.164 10 30 BEEERN Cc1cc(F)ccc1[C@@H](C#N)NC1CC1 ZINC000050579387 178091742 /nfs/dbraw/zinc/09/17/42/178091742.db2.gz ONCIUBZTWMASIA-GFCCVEGCSA-N 0 0 204.248 2.451 10 30 BEEERN CC(C)C[C@H]1CCCN1c1cnc(C#N)cn1 ZINC000123075841 187326076 /nfs/dbraw/zinc/32/60/76/187326076.db2.gz YKOQMUFJUOOJQK-GFCCVEGCSA-N 0 0 230.315 2.363 10 30 BEEERN CC(C)[S@@](=O)[C@H]1C[C@H](C)CC[C@@H]1C#N ZINC000252115434 398185461 /nfs/dbraw/zinc/18/54/61/398185461.db2.gz KDOINKFUTCJKQB-NJBDSQKTSA-N 0 0 213.346 2.472 10 30 BEEERN C=CCNC(=O)N1CCC[C@H](OCCC)CC1 ZINC000108536893 136219995 /nfs/dbraw/zinc/21/99/95/136219995.db2.gz GKEQMYFPCATIQQ-LBPRGKRZSA-N 0 0 240.347 2.163 10 30 BEEERN N#Cc1cc(C(F)(F)F)ccc1NO ZINC000306825679 398213970 /nfs/dbraw/zinc/21/39/70/398213970.db2.gz XWNMZAOMANXWNF-UHFFFAOYSA-N 0 0 202.135 2.378 10 30 BEEERN C[C@H]1[C@H](O)CCCN1Cc1ccc(F)cc1C#N ZINC000335597228 398215604 /nfs/dbraw/zinc/21/56/04/398215604.db2.gz QTAXDYRWXCWVMI-IINYFYTJSA-N 0 0 248.301 2.043 10 30 BEEERN N#CCc1cnc(F)c(Br)c1 ZINC000238595707 187329123 /nfs/dbraw/zinc/32/91/23/187329123.db2.gz XPEIKSGOKDHVDP-UHFFFAOYSA-N 0 0 215.025 2.049 10 30 BEEERN Cc1cc(N[C@H]2C[C@@H](O)C2(C)C)c(C#N)c(C)n1 ZINC000128767380 178192545 /nfs/dbraw/zinc/19/25/45/178192545.db2.gz HNBKRAFUQMQIOG-QWHCGFSZSA-N 0 0 245.326 2.141 10 30 BEEERN Cc1cc([C@@H](C#N)NC2CC2)ccc1F ZINC000050558765 178219822 /nfs/dbraw/zinc/21/98/22/178219822.db2.gz YSMBNESOFLKSDA-GFCCVEGCSA-N 0 0 204.248 2.451 10 30 BEEERN COC(=O)C#CCc1c(F)cccc1Cl ZINC000070835349 361780454 /nfs/dbraw/zinc/78/04/54/361780454.db2.gz UYDHEYDAAXIOPC-UHFFFAOYSA-N 0 0 226.634 2.198 10 30 BEEERN COC(=O)[C@H]1O[C@@]1(C)CCCC(F)(F)F ZINC000166774838 538939386 /nfs/dbraw/zinc/93/93/86/538939386.db2.gz WKDHYPAOBBESMI-SVRRBLITSA-N 0 0 226.194 2.050 10 30 BEEERN Cc1cc2c(c(C#N)c1C)NC(=O)N[C@H]2C ZINC000027869243 178282329 /nfs/dbraw/zinc/28/23/29/178282329.db2.gz NFZTVWQIRWVEOX-QMMMGPOBSA-N 0 0 215.256 2.371 10 30 BEEERN Cc1cc2nc(CO)n(CCC#N)c2cc1C ZINC000040308851 178301209 /nfs/dbraw/zinc/30/12/09/178301209.db2.gz JTTWKSJSWCGQQE-UHFFFAOYSA-N 0 0 229.283 2.059 10 30 BEEERN CC(C)(Br)C(=O)/C=C/Cl ZINC000575450614 398251743 /nfs/dbraw/zinc/25/17/43/398251743.db2.gz IPKOIHTVDAFFNC-ONEGZZNKSA-N 0 0 211.486 2.482 10 30 BEEERN Cc1ccc(-c2nc(CC#N)no2)cc1C ZINC000071518703 178334325 /nfs/dbraw/zinc/33/43/25/178334325.db2.gz KGUVDJUGOJBYIP-UHFFFAOYSA-N 0 0 213.240 2.420 10 30 BEEERN CCC(CC)N(C)c1ncc(N)cc1C#N ZINC000037759138 168369658 /nfs/dbraw/zinc/36/96/58/168369658.db2.gz CLJHSQVLYKSXHR-UHFFFAOYSA-N 0 0 218.304 2.160 10 30 BEEERN Cc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000129529765 178367655 /nfs/dbraw/zinc/36/76/55/178367655.db2.gz DSWFKVNVWAUPKC-ZWNOBZJWSA-N 0 0 244.294 2.373 10 30 BEEERN Cc1ccc(C#N)c(N(C)Cc2nccn2C)c1 ZINC000062255549 178363473 /nfs/dbraw/zinc/36/34/73/178363473.db2.gz IRHVWQWZCDVNRP-UHFFFAOYSA-N 0 0 240.310 2.237 10 30 BEEERN C[C@H]1CCCCCN1C(=O)CCS ZINC000235548050 343997731 /nfs/dbraw/zinc/99/77/31/343997731.db2.gz JONVFGYXCNOFBL-VIFPVBQESA-N 0 0 201.335 2.097 10 30 BEEERN Cc1ccc(C#N)c(N[C@H](C)C2CC2)n1 ZINC000044419446 178365634 /nfs/dbraw/zinc/36/56/34/178365634.db2.gz OBNAVAABVDFDTE-SECBINFHSA-N 0 0 201.273 2.472 10 30 BEEERN Cc1ccc(/C(N)=N/O)c(N2CCCC2(C)C)c1 ZINC000063067340 178352012 /nfs/dbraw/zinc/35/20/12/178352012.db2.gz NVPLNUAINPRAQD-UHFFFAOYSA-N 0 0 247.342 2.468 10 30 BEEERN Cc1ccc(C(=O)N2CCC(=NO)CC2)cc1 ZINC000019518215 178383541 /nfs/dbraw/zinc/38/35/41/178383541.db2.gz CAYCASDDYHRUHZ-UHFFFAOYSA-N 0 0 232.283 2.061 10 30 BEEERN C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)C(C)(C)C ZINC000399071667 398267496 /nfs/dbraw/zinc/26/74/96/398267496.db2.gz OPHFPCNTGWBMRO-GMTAPVOTSA-N 0 0 222.332 2.477 10 30 BEEERN C=CC(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC000405558341 538960270 /nfs/dbraw/zinc/96/02/70/538960270.db2.gz CQKHSZXSJBINAN-UHFFFAOYSA-N 0 0 225.288 2.189 10 30 BEEERN CC#CCC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000405723625 538960948 /nfs/dbraw/zinc/96/09/48/538960948.db2.gz QMOMRZDYMYYUIJ-UHFFFAOYSA-N 0 0 237.299 2.026 10 30 BEEERN C=CC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406063098 538962646 /nfs/dbraw/zinc/96/26/46/538962646.db2.gz LNWMZHYPMNNRKL-NSHDSACASA-N 0 0 239.315 2.435 10 30 BEEERN O=C1c2ccncc2C(=O)C(Cl)=C1Cl ZINC000006119156 342773750 /nfs/dbraw/zinc/77/37/50/342773750.db2.gz CGKGCWPTZATNNR-UHFFFAOYSA-N 0 0 228.034 2.150 10 30 BEEERN C=C[C@@H](O)C#CC#C[C@@H](O)/C=C\CCCCC ZINC000014638897 342787054 /nfs/dbraw/zinc/78/70/54/342787054.db2.gz KZRIUXSFFOWKRO-DHDOUQCBSA-N 0 0 232.323 2.038 10 30 BEEERN CO[C@H]1CCC[C@H](Nc2ccc(C#N)nc2)C1 ZINC000301770014 398290490 /nfs/dbraw/zinc/29/04/90/398290490.db2.gz JFPNWPSQJSEGFD-GWCFXTLKSA-N 0 0 231.299 2.323 10 30 BEEERN N#CCSc1nc2cc(N)ccc2o1 ZINC000042142964 361960671 /nfs/dbraw/zinc/96/06/71/361960671.db2.gz GASDPKWAMQCBPA-UHFFFAOYSA-N 0 0 205.242 2.026 10 30 BEEERN OCC[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000051916418 539011781 /nfs/dbraw/zinc/01/17/81/539011781.db2.gz FHJXOTMDFKDARW-INIZCTEOSA-N 0 0 243.350 2.133 10 30 BEEERN C=CCSCC(=O)c1ccc(O)cc1O ZINC000389419227 539016673 /nfs/dbraw/zinc/01/66/73/539016673.db2.gz XOFMISZYBIPRQW-UHFFFAOYSA-N 0 0 224.281 2.200 10 30 BEEERN Cn1c2cccc(C#N)c2nc1C(F)(F)F ZINC000076213559 398303908 /nfs/dbraw/zinc/30/39/08/398303908.db2.gz COZQUMOYOHVMAA-UHFFFAOYSA-N 0 0 225.173 2.464 10 30 BEEERN COc1ccc(/C=C(\C)C(C)=O)cc1O ZINC000308774517 342870619 /nfs/dbraw/zinc/87/06/19/342870619.db2.gz PASKXNKSLNZYLD-SOFGYWHQSA-N 0 0 206.241 2.393 10 30 BEEERN N#C[C@@H]1CNc2cc(Cl)c(F)cc2O1 ZINC000134474178 342857543 /nfs/dbraw/zinc/85/75/43/342857543.db2.gz UXEJTPHOQMCKCM-RXMQYKEDSA-N 0 0 212.611 2.176 10 30 BEEERN C#C[C@H](N)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000407126189 342894800 /nfs/dbraw/zinc/89/48/00/342894800.db2.gz AFOBBFJZFDFQPG-VIFPVBQESA-N 0 0 247.298 2.062 10 30 BEEERN N#CCc1cccc([N+](=O)[O-])c1Br ZINC000060174317 342920393 /nfs/dbraw/zinc/92/03/93/342920393.db2.gz NSUVAGHOTIBVCO-UHFFFAOYSA-N 0 0 241.044 2.423 10 30 BEEERN Cc1cscc1CNC1=CC(=O)CC1 ZINC000160373061 398326304 /nfs/dbraw/zinc/32/63/04/398326304.db2.gz HLLUAEHRMCAGRK-UHFFFAOYSA-N 0 0 207.298 2.393 10 30 BEEERN C#CCC(=O)[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000235684747 398339561 /nfs/dbraw/zinc/33/95/61/398339561.db2.gz ACCGTDSDEQAZIH-MRTMQBJTSA-N 0 0 214.355 2.204 10 30 BEEERN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCCO1 ZINC000042250753 398331034 /nfs/dbraw/zinc/33/10/34/398331034.db2.gz ZUDSRMUNFQBTJK-ZDUSSCGKSA-N 0 0 248.301 2.308 10 30 BEEERN C#CCNCc1ccccc1Br ZINC000019875693 187205978 /nfs/dbraw/zinc/20/59/78/187205978.db2.gz VJCYRELKATYXBL-UHFFFAOYSA-N 0 0 224.101 2.172 10 30 BEEERN O=C(N[C@@H]1CCCNC1=O)[C@H]1CCCSC1 ZINC000329729777 136256257 /nfs/dbraw/zinc/25/62/57/136256257.db2.gz CZPCGHDFSABKCK-DTWKUNHWSA-N 0 0 242.344 2.205 10 30 BEEERN COCCC[C@]1(CC#N)Cc2ccncc2C1=O ZINC000036421678 342995171 /nfs/dbraw/zinc/99/51/71/342995171.db2.gz AUYGGWBTYRDXQK-AWEZNQCLSA-N 0 0 244.294 2.147 10 30 BEEERN COc1cc(CC#N)ncc1OC(F)(F)F ZINC000309281380 343027722 /nfs/dbraw/zinc/02/77/22/343027722.db2.gz GRKUNFSQJOMVHF-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN O=C(N[C@@H]1CCC(=O)NC1)[C@H]1CCCSC1 ZINC000329793726 136263217 /nfs/dbraw/zinc/26/32/17/136263217.db2.gz VSHXLELLXUJVHM-DTWKUNHWSA-N 0 0 242.344 2.205 10 30 BEEERN C[C@@H](N=C(NC#N)Nc1cccnc1)C(C)(C)C ZINC000013600751 343096591 /nfs/dbraw/zinc/09/65/91/343096591.db2.gz YJCUMRGFIIKHFP-SNVBAGLBSA-N 0 0 245.330 2.355 10 30 BEEERN C[C@@H](C#N)NCc1cc2c(s1)CCC2 ZINC000043515273 343115068 /nfs/dbraw/zinc/11/50/68/343115068.db2.gz QSJDMMBVRYONLB-QMMMGPOBSA-N 0 0 206.314 2.238 10 30 BEEERN C#CCN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000120455070 343123947 /nfs/dbraw/zinc/12/39/47/343123947.db2.gz AIRJVKSNYHDOIA-UHFFFAOYSA-N 0 0 248.757 2.404 10 30 BEEERN CC[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)S)C1 ZINC000233914006 343128679 /nfs/dbraw/zinc/12/86/79/343128679.db2.gz PCGHFXOXTHLZNE-OPRDCNLKSA-N 0 0 215.362 2.390 10 30 BEEERN CCCCS[C@@H](C)C(=O)N[C@H](C#N)C1CC1 ZINC000108834421 136275386 /nfs/dbraw/zinc/27/53/86/136275386.db2.gz UNGLKOAVGLBXJW-GXSJLCMTSA-N 0 0 240.372 2.327 10 30 BEEERN CCN=Nc1nc2ccc(C)cc2s1 ZINC000034090275 343264206 /nfs/dbraw/zinc/26/42/06/343264206.db2.gz ZIPVXJOPNIKXOS-QDEBKDIKSA-N 0 0 205.286 2.444 10 30 BEEERN C/C(=N\O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000019504066 187252857 /nfs/dbraw/zinc/25/28/57/187252857.db2.gz IRRNQCBIHAGQTD-JAFATYBOSA-N 0 0 232.283 2.479 10 30 BEEERN COc1cc(CC#N)cc(OC(F)(F)F)n1 ZINC000309327021 343271064 /nfs/dbraw/zinc/27/10/64/343271064.db2.gz RIQFEHHYGZZBDA-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN ON=C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019425442 187251530 /nfs/dbraw/zinc/25/15/30/187251530.db2.gz BYPUCGWQKRSYOR-UHFFFAOYSA-N 0 0 222.263 2.252 10 30 BEEERN N#CC1(c2ccc(F)nc2)CCC(=O)CC1 ZINC000217347206 343277519 /nfs/dbraw/zinc/27/75/19/343277519.db2.gz OFMHJYKLFFRNFH-UHFFFAOYSA-N 0 0 218.231 2.125 10 30 BEEERN N#C[C@@H](NCC(F)(F)F)c1ccsc1 ZINC000037970866 187253985 /nfs/dbraw/zinc/25/39/85/187253985.db2.gz JHTBBSKOGQUJCC-SSDOTTSWSA-N 0 0 220.219 2.465 10 30 BEEERN C[C@H](CC#N)NCc1csc([N+](=O)[O-])c1 ZINC000134970676 343325487 /nfs/dbraw/zinc/32/54/87/343325487.db2.gz CCJHCKXBTSVDBU-SSDOTTSWSA-N 0 0 225.273 2.048 10 30 BEEERN C/C(=N\OC[C@@H](C)O)[C@H]1Cc2ccccc21 ZINC000038802250 343379452 /nfs/dbraw/zinc/37/94/52/343379452.db2.gz VKFNGVQUSMHREJ-HSPSTDAASA-N 0 0 219.284 2.100 10 30 BEEERN N#Cc1ccc(-c2cc(N)cc(CO)c2)cc1 ZINC000201218950 343373850 /nfs/dbraw/zinc/37/38/50/343373850.db2.gz QAQOXAYNLUTYOF-UHFFFAOYSA-N 0 0 224.263 2.300 10 30 BEEERN CC(C)[C@H]1CCN(c2cccc(C#N)n2)C1 ZINC000134988633 343351263 /nfs/dbraw/zinc/35/12/63/343351263.db2.gz JHNHHTGLKNDTIH-NSHDSACASA-N 0 0 215.300 2.436 10 30 BEEERN Cc1n[nH]c(=S)n1N=Cc1ccc(C)cc1 ZINC000035569137 187258085 /nfs/dbraw/zinc/25/80/85/187258085.db2.gz WRGIMVVTCGUIPD-GHXNOFRVSA-N 0 0 232.312 2.440 10 30 BEEERN C[C@@H]1CCC[C@@H](CC(=O)NCCC#N)C1 ZINC000408370682 133478335 /nfs/dbraw/zinc/47/83/35/133478335.db2.gz OINQKUAQQLCJKH-GHMZBOCLSA-N 0 0 208.305 2.233 10 30 BEEERN CN(C)c1cc(C#N)nn1Cc1ccccc1F ZINC000147992941 343386529 /nfs/dbraw/zinc/38/65/29/343386529.db2.gz BVFIEVOKYONNIT-UHFFFAOYSA-N 0 0 244.273 2.008 10 30 BEEERN Cc1cc(C(=O)NC2(C#N)CCCC2)c(C)o1 ZINC000040216331 343398539 /nfs/dbraw/zinc/39/85/39/343398539.db2.gz NLWPBEFAWRPTSG-UHFFFAOYSA-N 0 0 232.283 2.463 10 30 BEEERN CC(C)n1cccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000335737428 136350999 /nfs/dbraw/zinc/35/09/99/136350999.db2.gz DUZIJLFUWAULJB-RYUDHWBXSA-N 0 0 245.326 2.491 10 30 BEEERN C=CCN(Cc1ccccc1)C(=O)[C@H](C)COC ZINC000103373841 136332434 /nfs/dbraw/zinc/33/24/34/136332434.db2.gz VKHJPQSNKDVXOC-CYBMUJFWSA-N 0 0 247.338 2.484 10 30 BEEERN C#C[C@@H](C)Oc1cc(Cl)nc(CC)n1 ZINC000234139844 343447889 /nfs/dbraw/zinc/44/78/89/343447889.db2.gz YLMSLUXDSAVGRN-SSDOTTSWSA-N 0 0 210.664 2.093 10 30 BEEERN COc1ccc([C@H](C#N)NCC2CC2)c(OC)c1 ZINC000037946838 187261676 /nfs/dbraw/zinc/26/16/76/187261676.db2.gz AFITUHFQGQPYOJ-ZDUSSCGKSA-N 0 0 246.310 2.268 10 30 BEEERN COc1ccc([C@@H](C#N)NC[C@@H]2CCCO2)cc1 ZINC000037940142 187261741 /nfs/dbraw/zinc/26/17/41/187261741.db2.gz FLECDRRJULASFF-UONOGXRCSA-N 0 0 246.310 2.028 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000054828661 136373090 /nfs/dbraw/zinc/37/30/90/136373090.db2.gz OWZIPAVHVVZYRO-JQWIXIFHSA-N 0 0 245.282 2.377 10 30 BEEERN COc1ccnc(CC#N)c1OC(F)(F)F ZINC000309433607 343443291 /nfs/dbraw/zinc/44/32/91/343443291.db2.gz JZAQDKYBOCOULM-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN c1nc2cc(OC[C@H]3CO3)ccc2s1 ZINC000045237663 343526726 /nfs/dbraw/zinc/52/67/26/343526726.db2.gz ATVXMTAUFAKSFA-QMMMGPOBSA-N 0 0 207.254 2.074 10 30 BEEERN COc1cc(OC(F)(F)F)ncc1CC#N ZINC000309510380 343643352 /nfs/dbraw/zinc/64/33/52/343643352.db2.gz PCMHMATZNYUWAY-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN Cc1ccc([C@H](C)Nc2cnc(C#N)cn2)o1 ZINC000071177885 343625433 /nfs/dbraw/zinc/62/54/33/343625433.db2.gz VWWMWUKLPRHGEZ-VIFPVBQESA-N 0 0 228.255 2.423 10 30 BEEERN CC[C@@H](C#N)C(=O)N(C)Cc1ccc(C)o1 ZINC000044822829 187268863 /nfs/dbraw/zinc/26/88/63/187268863.db2.gz ASSIQODQAZDXMK-JTQLQIEISA-N 0 0 220.272 2.096 10 30 BEEERN COc1cc(OC(F)(F)F)cnc1CC#N ZINC000309517163 343662267 /nfs/dbraw/zinc/66/22/67/343662267.db2.gz VTKAPGAUVJUPLL-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN C[C@H](S[C@@H]1CCC[C@@H](C)C1)/C(N)=N/O ZINC000054691366 343690971 /nfs/dbraw/zinc/69/09/71/343690971.db2.gz WIHYKKZPYNFNEC-HRDYMLBCSA-N 0 0 216.350 2.433 10 30 BEEERN Cc1nc(C#N)cc(Cc2ccccc2)n1 ZINC000114194127 343786236 /nfs/dbraw/zinc/78/62/36/343786236.db2.gz CCKNJRYASWWSIB-UHFFFAOYSA-N 0 0 209.252 2.248 10 30 BEEERN CCOC(=O)C#Cc1cncc2ccccc12 ZINC000157732268 343791125 /nfs/dbraw/zinc/79/11/25/343791125.db2.gz NQLGWHKQGUYIJT-UHFFFAOYSA-N 0 0 225.247 2.149 10 30 BEEERN N#Cc1ccc(-c2ccc(C=O)s2)nc1 ZINC000238691431 343796016 /nfs/dbraw/zinc/79/60/16/343796016.db2.gz JPJPUFJCISNYCD-UHFFFAOYSA-N 0 0 214.249 2.494 10 30 BEEERN O=CC1(COc2cccc(C(F)(F)F)n2)CC1 ZINC000409432914 343827971 /nfs/dbraw/zinc/82/79/71/343827971.db2.gz PQMXZTWALUYOQI-UHFFFAOYSA-N 0 0 245.200 2.458 10 30 BEEERN COc1ccc(C[C@](C)(C#N)NC2CC2)cc1 ZINC000071169449 187275596 /nfs/dbraw/zinc/27/55/96/187275596.db2.gz GZGLFQYAODEXTQ-CQSZACIVSA-N 0 0 230.311 2.272 10 30 BEEERN CC=C=CC(=O)c1snnc1C(C)(C)C ZINC000159038085 346985573 /nfs/dbraw/zinc/98/55/73/346985573.db2.gz NLSYWQKKTMTHRT-UHFFFAOYSA-N 0 0 222.313 2.432 10 30 BEEERN N#CCn1nc(-c2ccccn2)cc1C1CC1 ZINC000409440558 343852922 /nfs/dbraw/zinc/85/29/22/343852922.db2.gz NGLXSMONPYGYBS-UHFFFAOYSA-N 0 0 224.267 2.346 10 30 BEEERN C#CCn1nc(C(F)(F)F)c2c1CCSC2 ZINC000409441146 343855310 /nfs/dbraw/zinc/85/53/10/343855310.db2.gz WUBHHSBQGVAYBW-UHFFFAOYSA-N 0 0 246.257 2.324 10 30 BEEERN CC(C)[C@@H]1N(c2nccc(C#N)n2)CC12CCC2 ZINC000295749997 187351868 /nfs/dbraw/zinc/35/18/68/187351868.db2.gz ZXBQWKHDFMYRPF-LBPRGKRZSA-N 0 0 242.326 2.363 10 30 BEEERN Cc1[nH]nc(-c2ccco2)c1CCC#N ZINC000409441967 343856795 /nfs/dbraw/zinc/85/67/95/343856795.db2.gz VTQKSJRNPSSNQZ-UHFFFAOYSA-N 0 0 201.229 2.434 10 30 BEEERN C#CCn1nc(-c2cnccn2)cc1C(C)C ZINC000409441963 343856931 /nfs/dbraw/zinc/85/69/31/343856931.db2.gz VSABUMYDHBVJKO-UHFFFAOYSA-N 0 0 226.283 2.097 10 30 BEEERN O=CCc1cn(CCF)nc1-c1ccccc1 ZINC000409439744 343848483 /nfs/dbraw/zinc/84/84/83/343848483.db2.gz QNLKFJNSFHMFTR-UHFFFAOYSA-N 0 0 232.258 2.261 10 30 BEEERN N#Cc1ccnc(C#Cc2ccccc2)c1 ZINC000309208853 346992313 /nfs/dbraw/zinc/99/23/13/346992313.db2.gz RFYWTFBQFRMFTE-UHFFFAOYSA-N 0 0 204.232 2.353 10 30 BEEERN CC(=O)c1ccc(C#CCn2ccnc2)s1 ZINC000585145049 343880410 /nfs/dbraw/zinc/88/04/10/343880410.db2.gz CDOZOQVYJAVJFO-UHFFFAOYSA-N 0 0 230.292 2.199 10 30 BEEERN CC1CCN(c2ccc([C@H](N)C#N)o2)CC1 ZINC000409442445 343858337 /nfs/dbraw/zinc/85/83/37/343858337.db2.gz VDDPJHZAWITODS-SNVBAGLBSA-N 0 0 219.288 2.039 10 30 BEEERN C#CCOc1ccc([C@@H](C)O)cc1Cl ZINC000127169011 343885077 /nfs/dbraw/zinc/88/50/77/343885077.db2.gz QLKFTAVMMUXCEJ-MRVPVSSYSA-N 0 0 210.660 2.405 10 30 BEEERN C#CCCCCC(=O)N1CCS[C@@H](C)C1 ZINC000180046720 347010693 /nfs/dbraw/zinc/01/06/93/347010693.db2.gz OXMKPBFQHNGQOP-NSHDSACASA-N 0 0 225.357 2.144 10 30 BEEERN C=CCCn1cc(C(N)=O)c(-c2ccccc2)n1 ZINC000128835060 343924167 /nfs/dbraw/zinc/92/41/67/343924167.db2.gz VRFABJLJHAZESX-UHFFFAOYSA-N 0 0 241.294 2.225 10 30 BEEERN CC[C@H](C#N)n1cc(C(F)(F)F)cn1 ZINC000070018913 343946652 /nfs/dbraw/zinc/94/66/52/343946652.db2.gz BUCBPKRLSMUGHX-SSDOTTSWSA-N 0 0 203.167 2.377 10 30 BEEERN C[C@@H](CC#N)n1cc(C(F)(F)F)cn1 ZINC000070018892 343946888 /nfs/dbraw/zinc/94/68/88/343946888.db2.gz PGMYNDMGCTYBLT-LURJTMIESA-N 0 0 203.167 2.377 10 30 BEEERN C=C[C@H](N[C@H]1CCCc2ccccc21)C(=O)OC ZINC000305971966 343930570 /nfs/dbraw/zinc/93/05/70/343930570.db2.gz GVMMABBNWQKAGO-KBPBESRZSA-N 0 0 245.322 2.381 10 30 BEEERN C=CCSc1nc(Cl)nnc1Cl ZINC000307452756 343936011 /nfs/dbraw/zinc/93/60/11/343936011.db2.gz WXAYWUGHBSQEFE-UHFFFAOYSA-N 0 0 222.100 2.457 10 30 BEEERN C[C@H]1CC=C(C(=O)c2nccn2C)CC1 ZINC000235295975 343949640 /nfs/dbraw/zinc/94/96/40/343949640.db2.gz XZEHZMUPNJXXIS-VIFPVBQESA-N 0 0 204.273 2.349 10 30 BEEERN CC(C)COCc1ccc(F)c(C#CCO)c1 ZINC000049620946 187357318 /nfs/dbraw/zinc/35/73/18/187357318.db2.gz FRBKOYDJQCVISL-UHFFFAOYSA-N 0 0 236.286 2.342 10 30 BEEERN CSc1cc(Cl)ccc1/C(N)=N/O ZINC000062789759 347022960 /nfs/dbraw/zinc/02/29/60/347022960.db2.gz AYNPWKPZYFPBDG-UHFFFAOYSA-N 0 0 216.693 2.156 10 30 BEEERN N#Cc1cnc(Br)c(OC2CC2)c1 ZINC000095736336 187288150 /nfs/dbraw/zinc/28/81/50/187288150.db2.gz XZKFDFNPZHBKCT-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN C#Cc1cnn(CCCc2ccccc2)c1 ZINC000585142987 344175929 /nfs/dbraw/zinc/17/59/29/344175929.db2.gz LVLTYBICPDYDKN-UHFFFAOYSA-N 0 0 210.280 2.497 10 30 BEEERN Cc1cc(F)ccc1NC(=O)CCS ZINC000235776101 344130171 /nfs/dbraw/zinc/13/01/71/344130171.db2.gz HLOIJFRTGNWLPP-UHFFFAOYSA-N 0 0 213.277 2.393 10 30 BEEERN N#Cc1nc(NCc2ccco2)ccc1[N+](=O)[O-] ZINC000236422618 187288785 /nfs/dbraw/zinc/28/87/85/187288785.db2.gz QQHYBYKWQGCYPF-UHFFFAOYSA-N 0 0 244.210 2.067 10 30 BEEERN CC(C)(C)n1cc(C#N)c2cc(N)cnc21 ZINC000095937214 187288931 /nfs/dbraw/zinc/28/89/31/187288931.db2.gz ORAFSSXNHZXZSK-UHFFFAOYSA-N 0 0 214.272 2.245 10 30 BEEERN CC(C)(C)C#Cc1cc2c(nn1)CCC2 ZINC000585143857 344179279 /nfs/dbraw/zinc/17/92/79/344179279.db2.gz QKPZXGQSJXRUIM-UHFFFAOYSA-N 0 0 200.285 2.363 10 30 BEEERN Cc1ccc(NC(=O)[C@H](C)S)cc1F ZINC000220317264 344186568 /nfs/dbraw/zinc/18/65/68/344186568.db2.gz DHXOFFFBSYMYOB-ZETCQYMHSA-N 0 0 213.277 2.391 10 30 BEEERN CO[C@H]1CCC[C@](Br)(C#N)C1 ZINC000234767419 344247339 /nfs/dbraw/zinc/24/73/39/344247339.db2.gz XFFYJCKXHXBSQJ-JGVFFNPUSA-N 0 0 218.094 2.233 10 30 BEEERN C=C(C)C(=O)C1(c2ccc(N)cc2)CC1 ZINC000135436335 344275112 /nfs/dbraw/zinc/27/51/12/344275112.db2.gz HSRGFKAYGGGHKJ-UHFFFAOYSA-N 0 0 201.269 2.446 10 30 BEEERN CC(C)[C@H](C#N)NC(=O)OCc1ccccc1 ZINC000098091944 187290281 /nfs/dbraw/zinc/29/02/81/187290281.db2.gz NJLYXYMHKYRDQH-LBPRGKRZSA-N 0 0 232.283 2.461 10 30 BEEERN C#CCCCOc1ccc(F)cc1CO ZINC000144999942 344328772 /nfs/dbraw/zinc/32/87/72/344328772.db2.gz AIWWSQIDTRGATB-UHFFFAOYSA-N 0 0 208.232 2.110 10 30 BEEERN C=C(Cl)CNc1ncc(N)cc1Cl ZINC000236367606 344357542 /nfs/dbraw/zinc/35/75/42/344357542.db2.gz WHNBCKUMNSZWRH-UHFFFAOYSA-N 0 0 218.087 2.482 10 30 BEEERN Cc1cc(Cc2ccccc2)[nH]c(=O)c1C#N ZINC000139541493 344373450 /nfs/dbraw/zinc/37/34/50/344373450.db2.gz UYHPDQWMHHFPDG-UHFFFAOYSA-N 0 0 224.263 2.146 10 30 BEEERN CC[S@](=O)Nc1ccc(C#N)cc1Cl ZINC000306807630 344442833 /nfs/dbraw/zinc/44/28/33/344442833.db2.gz MWTAXJQJUZPVKE-AWEZNQCLSA-N 0 0 228.704 2.307 10 30 BEEERN N#Cc1cc(CCC2CCCC2)ncn1 ZINC000409436639 344463387 /nfs/dbraw/zinc/46/33/87/344463387.db2.gz OTQOZKAWAPYGFK-UHFFFAOYSA-N 0 0 201.273 2.471 10 30 BEEERN N#Cc1cc(-c2ccco2)nc(C2CC2)n1 ZINC000409437019 344463412 /nfs/dbraw/zinc/46/34/12/344463412.db2.gz BHPFHTZRMVHYBN-UHFFFAOYSA-N 0 0 211.224 2.486 10 30 BEEERN N#Cc1cc(-c2ccsc2)nn1CCF ZINC000409443975 344467260 /nfs/dbraw/zinc/46/72/60/344467260.db2.gz XSFVSTIXYBKWHI-UHFFFAOYSA-N 0 0 221.260 2.453 10 30 BEEERN CCCCOCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054826133 344471698 /nfs/dbraw/zinc/47/16/98/344471698.db2.gz CMZYTALPSGVGEW-CHWSQXEVSA-N 0 0 224.348 2.475 10 30 BEEERN C#C[C@H](NN)c1cc(Cl)ccc1Cl ZINC000158085193 344475090 /nfs/dbraw/zinc/47/50/90/344475090.db2.gz RVPGABCJVDTQMU-VIFPVBQESA-N 0 0 215.083 2.131 10 30 BEEERN N#C[C@]1(N)CCc2cc(Br)ccc21 ZINC000127567612 344564651 /nfs/dbraw/zinc/56/46/51/344564651.db2.gz FPFWBQICAUNCBH-SNVBAGLBSA-N 0 0 237.100 2.073 10 30 BEEERN C#CCC(=O)[C@@H]1Cc2ccccc2S1 ZINC000158220007 344565919 /nfs/dbraw/zinc/56/59/19/344565919.db2.gz KYOUGWAEJHIHAH-LBPRGKRZSA-N 0 0 202.278 2.296 10 30 BEEERN N#CCc1ccc(C(F)(F)F)c(F)c1N ZINC000396081719 344597562 /nfs/dbraw/zinc/59/75/62/344597562.db2.gz AYIOPITXJDIQIQ-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN N#CCc1cc(F)c(N)cc1C(F)(F)F ZINC000396042142 344585537 /nfs/dbraw/zinc/58/55/37/344585537.db2.gz QYINXPVXEFJVQW-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN N#CCc1ccnc(C(F)(F)F)c1[N+](=O)[O-] ZINC000396123889 344609420 /nfs/dbraw/zinc/60/94/20/344609420.db2.gz XLVPWUXEEFJXIB-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN N#Cc1cc(F)c(N)cc1OC(F)(F)F ZINC000396140864 344615470 /nfs/dbraw/zinc/61/54/70/344615470.db2.gz CEBSAIPJECOFMI-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN O=CCOc1ccc(Br)cc1F ZINC000050161143 344649927 /nfs/dbraw/zinc/64/99/27/344649927.db2.gz LUPWNBULCVOLMU-UHFFFAOYSA-N 0 0 233.036 2.166 10 30 BEEERN N#Cc1ccc(N2CCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000400418468 344655007 /nfs/dbraw/zinc/65/50/07/344655007.db2.gz WYJDHXINRJQANQ-UHFFFAOYSA-N 0 0 243.266 2.457 10 30 BEEERN N#CCc1cc(N)ccc1OC(F)(F)F ZINC000238609029 344671962 /nfs/dbraw/zinc/67/19/62/344671962.db2.gz UJPUKKRMUPDDPO-UHFFFAOYSA-N 0 0 216.162 2.233 10 30 BEEERN CC1(C)Cc2nc(CC#N)sc2C(=O)C1 ZINC000050330986 344674225 /nfs/dbraw/zinc/67/42/25/344674225.db2.gz YGZYFQGNRUYADU-UHFFFAOYSA-N 0 0 220.297 2.364 10 30 BEEERN CC(=O)CCCn1c(CC#N)nc2ccccc21 ZINC000104339786 187292298 /nfs/dbraw/zinc/29/22/98/187292298.db2.gz YBTVISREXMVSBF-UHFFFAOYSA-N 0 0 241.294 2.472 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)c(F)n1 ZINC000238591464 344644126 /nfs/dbraw/zinc/64/41/26/344644126.db2.gz ILTPLSUTZRACIP-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN CC(C)N(CCC#N)c1cccc(N)c1 ZINC000042528889 187292104 /nfs/dbraw/zinc/29/21/04/187292104.db2.gz PONHPWZNFXLSDT-UHFFFAOYSA-N 0 0 203.289 2.397 10 30 BEEERN Cc1ccc(N(C)c2nccnc2C#N)cc1 ZINC000054379452 178701973 /nfs/dbraw/zinc/70/19/73/178701973.db2.gz NKBPKIHFKRLCFE-UHFFFAOYSA-N 0 0 224.267 2.425 10 30 BEEERN N#Cc1ccc(-c2nc(Cl)no2)cc1 ZINC000158585501 344684651 /nfs/dbraw/zinc/68/46/51/344684651.db2.gz AHXGPYBSHZCRDE-UHFFFAOYSA-N 0 0 205.604 2.262 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NC(=O)c1ccco1 ZINC000260002387 344703548 /nfs/dbraw/zinc/70/35/48/344703548.db2.gz NNBBUILRINGNED-UWVGGRQHSA-N 0 0 218.256 2.092 10 30 BEEERN Cc1ccc(C#N)c(N2CCC3(CC3)C2)n1 ZINC000400456719 344716416 /nfs/dbraw/zinc/71/64/16/344716416.db2.gz PTXAYILZVJKSAY-UHFFFAOYSA-N 0 0 213.284 2.252 10 30 BEEERN C[C@@H](C#N)C(=O)c1ccoc1Br ZINC000235072728 344762990 /nfs/dbraw/zinc/76/29/90/344762990.db2.gz RKJHQIPFDSFFRF-YFKPBYRVSA-N 0 0 228.045 2.384 10 30 BEEERN Cc1ccc(N)cc1Oc1nccnc1C#N ZINC000054378473 178709677 /nfs/dbraw/zinc/70/96/77/178709677.db2.gz FIDDSVPNDBGBDV-UHFFFAOYSA-N 0 0 226.239 2.031 10 30 BEEERN Cc1ccccc1[C@H](C)OS(C)(=O)=O ZINC000166203350 344787848 /nfs/dbraw/zinc/78/78/48/344787848.db2.gz XAJLQWIFZNUHLG-VIFPVBQESA-N 0 0 214.286 2.032 10 30 BEEERN C[C@@H](OS(C)(=O)=O)c1cccc(Cl)c1 ZINC000166233193 344810143 /nfs/dbraw/zinc/81/01/43/344810143.db2.gz PZKOKTYCTXJQIF-SSDOTTSWSA-N 0 0 234.704 2.377 10 30 BEEERN CC(C)(C#N)C(=O)NCC1CCCCC1 ZINC000044318132 534971142 /nfs/dbraw/zinc/97/11/42/534971142.db2.gz QCYPMDTUVUCXPZ-UHFFFAOYSA-N 0 0 208.305 2.233 10 30 BEEERN CCOC(=O)C[C@]1([C@@H]2CO2)CC[C@H](C)C1 ZINC000675053266 537865665 /nfs/dbraw/zinc/86/56/65/537865665.db2.gz MCGARPKITWGZSL-NHCYSSNCSA-N 0 0 212.289 2.145 10 30 BEEERN C#C[C@@H](C)Oc1cccc(Br)n1 ZINC000235239645 344853552 /nfs/dbraw/zinc/85/35/52/344853552.db2.gz BAFJWNSGBCDHMB-SSDOTTSWSA-N 0 0 226.073 2.245 10 30 BEEERN CCOC(=O)C[C@]1([C@H]2CO2)CC[C@@H](C)C1 ZINC000675053265 537866553 /nfs/dbraw/zinc/86/65/53/537866553.db2.gz MCGARPKITWGZSL-FOGDFJRCSA-N 0 0 212.289 2.145 10 30 BEEERN COC(=O)C[C@]1([C@@H]2CO2)CC[C@@H](C)[C@H](C)C1 ZINC000675053227 537866619 /nfs/dbraw/zinc/86/66/19/537866619.db2.gz LZZVMCVPJCYUFX-DCQANWLSSA-N 0 0 226.316 2.391 10 30 BEEERN C[C@@H](S)C(=O)NCc1ccc(Cl)cc1 ZINC000235281277 344872652 /nfs/dbraw/zinc/87/26/52/344872652.db2.gz MYGPFKYYRIZJLL-SSDOTTSWSA-N 0 0 229.732 2.275 10 30 BEEERN C[C@@H]1CN[C@H](c2ccccc2C#N)S1 ZINC000235376505 344897464 /nfs/dbraw/zinc/89/74/64/344897464.db2.gz GVEPJXJDBXEPHE-KCJUWKMLSA-N 0 0 204.298 2.282 10 30 BEEERN N#C[C@@]1(Cc2cscn2)CCCS1 ZINC000166476632 344904745 /nfs/dbraw/zinc/90/47/45/344904745.db2.gz LZZYTXPYYBMMCE-VIFPVBQESA-N 0 0 210.327 2.475 10 30 BEEERN C#C[C@H](C)Oc1cc(C#N)cc(Cl)n1 ZINC000235547623 344937826 /nfs/dbraw/zinc/93/78/26/344937826.db2.gz RJTCIVQEMQRURV-ZETCQYMHSA-N 0 0 206.632 2.007 10 30 BEEERN N#Cc1ccc(OC(F)F)nc1Cl ZINC000307103948 344927070 /nfs/dbraw/zinc/92/70/70/344927070.db2.gz HLIVWTQXQFSLJS-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN COC(=O)c1c(F)c(Cl)ccc1C#N ZINC000307116084 344928565 /nfs/dbraw/zinc/92/85/65/344928565.db2.gz XNGPNHNDJZPYBB-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN C#C[C@H](C)Oc1nc(C)c(C)nc1Cl ZINC000235534133 344934368 /nfs/dbraw/zinc/93/43/68/344934368.db2.gz DDOGAWNFVDRXGG-LURJTMIESA-N 0 0 210.664 2.147 10 30 BEEERN C[C@H](S)C(=O)N1CCCCC[C@@H]1C ZINC000235548250 344937551 /nfs/dbraw/zinc/93/75/51/344937551.db2.gz XLQQUISVOPUKCS-IUCAKERBSA-N 0 0 201.335 2.096 10 30 BEEERN N#CCc1cc(Br)cc(C#N)c1 ZINC000238054567 344957591 /nfs/dbraw/zinc/95/75/91/344957591.db2.gz RPHSRTBYTXYABT-UHFFFAOYSA-N 0 0 221.057 2.387 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1S ZINC000238105281 344969821 /nfs/dbraw/zinc/96/98/21/344969821.db2.gz HYNWLTCHEVLKRL-HTQZYQBOSA-N 0 0 217.334 2.362 10 30 BEEERN N#CC1(NC(=O)c2cccnc2Cl)CCCC1 ZINC000121947247 344944972 /nfs/dbraw/zinc/94/49/72/344944972.db2.gz YZTAEKPUBVKYAO-UHFFFAOYSA-N 0 0 249.701 2.301 10 30 BEEERN N#CCc1c(O)cccc1OC(F)(F)F ZINC000238725346 344992787 /nfs/dbraw/zinc/99/27/87/344992787.db2.gz PXPDQNFLNULIRO-UHFFFAOYSA-N 0 0 217.146 2.357 10 30 BEEERN COC(=O)C#Cc1ccc(Cl)cc1F ZINC000070835401 537882525 /nfs/dbraw/zinc/88/25/25/537882525.db2.gz XGXCYVRMMHLRQP-UHFFFAOYSA-N 0 0 212.607 2.004 10 30 BEEERN COC(=O)c1cc(Cl)c(C#N)c(OC)c1 ZINC000238357058 345029142 /nfs/dbraw/zinc/02/91/42/345029142.db2.gz DYWFRGOIZHYBPD-UHFFFAOYSA-N 0 0 225.631 2.007 10 30 BEEERN C=C[C@H](C)[N@@H+]1CCc2sccc2[C@@H]1C(=O)[O-] ZINC000052143737 187299723 /nfs/dbraw/zinc/29/97/23/187299723.db2.gz BHXPBLRARBBYRN-GZMMTYOYSA-N 0 0 237.324 2.306 10 30 BEEERN CCOc1cc(C#N)cc(CC#N)c1OCC ZINC000044369489 345041992 /nfs/dbraw/zinc/04/19/92/345041992.db2.gz AAUMJXOICWCYQU-UHFFFAOYSA-N 0 0 230.267 2.422 10 30 BEEERN N#CCc1ccnc(OC(F)(F)F)c1 ZINC000238528125 345068455 /nfs/dbraw/zinc/06/84/55/345068455.db2.gz MJCPBCRQHVWBTH-UHFFFAOYSA-N 0 0 202.135 2.046 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)nc1 ZINC000238534363 345071774 /nfs/dbraw/zinc/07/17/74/345071774.db2.gz VLBHGABLMLGRJT-UHFFFAOYSA-N 0 0 202.135 2.046 10 30 BEEERN Cc1ccc(Oc2ncccc2/C(N)=N/O)cc1 ZINC000019508846 178822697 /nfs/dbraw/zinc/82/26/97/178822697.db2.gz AQRKOCAQGVQPRQ-UHFFFAOYSA-N 0 0 243.266 2.277 10 30 BEEERN N#CCc1ccc(N)cc1OC(F)(F)F ZINC000238585093 345082751 /nfs/dbraw/zinc/08/27/51/345082751.db2.gz SGCVSQHAEILTRK-UHFFFAOYSA-N 0 0 216.162 2.233 10 30 BEEERN Cc1ccc(S(=O)(=O)C[C@@H](C)C#N)c(C)c1 ZINC000020223337 178823620 /nfs/dbraw/zinc/82/36/20/178823620.db2.gz NMWNRVVLHUEIME-JTQLQIEISA-N 0 0 237.324 2.237 10 30 BEEERN C=CCCCN(C)C(=O)NCCCSC ZINC000125862135 345097529 /nfs/dbraw/zinc/09/75/29/345097529.db2.gz PVUZBWHMOPXBLL-UHFFFAOYSA-N 0 0 230.377 2.347 10 30 BEEERN COc1ccc(OC(F)(F)F)c(CC#N)n1 ZINC000390242695 345310494 /nfs/dbraw/zinc/31/04/94/345310494.db2.gz IDNPDGPCDMYMDH-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN N#CCCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002392876 187302075 /nfs/dbraw/zinc/30/20/75/187302075.db2.gz WHPDVPWKADWQRQ-UHFFFAOYSA-N 0 0 204.185 2.081 10 30 BEEERN C#C[C@H](C)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000248507948 345407752 /nfs/dbraw/zinc/40/77/52/345407752.db2.gz ZFAZXSCDIIYWAJ-DRZSPHRISA-N 0 0 219.328 2.341 10 30 BEEERN CC(C)(C)OC(=O)Cc1ccccc1C#N ZINC000136280371 345495607 /nfs/dbraw/zinc/49/56/07/345495607.db2.gz AMGLMYVCNUOVDX-UHFFFAOYSA-N 0 0 217.268 2.442 10 30 BEEERN OC[C@H](N=C(CF)CF)c1ccccc1 ZINC000135909208 345464797 /nfs/dbraw/zinc/46/47/97/345464797.db2.gz XRDPRGCECWMQAS-NSHDSACASA-N 0 0 213.227 2.100 10 30 BEEERN CC[C@@](C)(C#N)C(=O)NCCc1ccsc1 ZINC000136208835 345487906 /nfs/dbraw/zinc/48/79/06/345487906.db2.gz BWFCYGFAGCSMMB-LBPRGKRZSA-N 0 0 236.340 2.347 10 30 BEEERN C[C@H](c1ccc(C#N)c(F)c1)n1cncc1C=O ZINC000136926285 345562977 /nfs/dbraw/zinc/56/29/77/345562977.db2.gz VYRLAQXYNGHTCM-SECBINFHSA-N 0 0 243.241 2.316 10 30 BEEERN CCC[C@H](CC(=O)OC)Nc1ccc(C#N)cn1 ZINC000092946698 345649040 /nfs/dbraw/zinc/64/90/40/345649040.db2.gz VDYFBEMSCHVDTL-LLVKDONJSA-N 0 0 247.298 2.097 10 30 BEEERN COc1ccc(C(=O)[C@@H](C)C#N)cc1F ZINC000061669108 345808754 /nfs/dbraw/zinc/80/87/54/345808754.db2.gz WCIFHEDESXFETL-ZETCQYMHSA-N 0 0 207.204 2.177 10 30 BEEERN COC(=O)c1cc(F)c(C#N)cc1Cl ZINC000166768171 345785232 /nfs/dbraw/zinc/78/52/32/345785232.db2.gz RSPMBEOIJZIVPH-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN CN(C#N)c1ccc(-c2ccc(C#N)n2C)cc1 ZINC000034875196 345843595 /nfs/dbraw/zinc/84/35/95/345843595.db2.gz ZSRGEFLNIGHAPU-UHFFFAOYSA-N 0 0 236.278 2.481 10 30 BEEERN C=CC[C@](O)(C(=O)OCC)c1ccccc1 ZINC000137338669 345844749 /nfs/dbraw/zinc/84/47/49/345844749.db2.gz PQYGGCKREBOITO-CYBMUJFWSA-N 0 0 220.268 2.013 10 30 BEEERN CC(=O)OC(C)=CC(=O)c1ccccc1 ZINC000137698023 345848035 /nfs/dbraw/zinc/84/80/35/345848035.db2.gz URLKTMLHFHSQQU-CMDGGOBGSA-N 0 0 204.225 2.336 10 30 BEEERN C#CCNc1cnc(Br)c(C)c1 ZINC000235764049 345851954 /nfs/dbraw/zinc/85/19/54/345851954.db2.gz XFOZTUJOGFPQOC-UHFFFAOYSA-N 0 0 225.089 2.198 10 30 BEEERN C[C@@H](c1ccc(C#N)c(F)c1)n1cncc1C=O ZINC000136926235 345829661 /nfs/dbraw/zinc/82/96/61/345829661.db2.gz VYRLAQXYNGHTCM-VIFPVBQESA-N 0 0 243.241 2.316 10 30 BEEERN COc1ccc(C(=O)C#Cc2cccnc2)cc1 ZINC000034584125 345834100 /nfs/dbraw/zinc/83/41/00/345834100.db2.gz BBYJLLFWQCWCES-UHFFFAOYSA-N 0 0 237.258 2.325 10 30 BEEERN C=C[C@@H]1CC(=O)C=CN1C(=O)OC(C)(C)C ZINC000143250789 345865205 /nfs/dbraw/zinc/86/52/05/345865205.db2.gz MHDOIMODFMOZRP-SECBINFHSA-N 0 0 223.272 2.265 10 30 BEEERN CC#CC#CC#Cc1cc(Cl)ccc1O ZINC000095486300 290763186 /nfs/dbraw/zinc/76/31/86/290763186.db2.gz MCEZMEUDXFRABM-UHFFFAOYSA-N 0 0 214.651 2.424 10 30 biogenic,in-vitro BEEERN C#CCC(=O)Nc1ccc(Cl)nc1C ZINC000235792633 345904670 /nfs/dbraw/zinc/90/46/70/345904670.db2.gz YRYJPJNDHSVSDZ-UHFFFAOYSA-N 0 0 208.648 2.005 10 30 BEEERN CC(C)(C)[C@H](O)COc1ccc(C#N)cc1F ZINC000283074911 187361259 /nfs/dbraw/zinc/36/12/59/187361259.db2.gz PNQUQNHNEJVGRT-GFCCVEGCSA-N 0 0 237.274 2.483 10 30 BEEERN COc1ccc(Nc2ccc(N)c(C#N)n2)cc1 ZINC000039170999 345951775 /nfs/dbraw/zinc/95/17/75/345951775.db2.gz JUZCPZOLDDNTIA-UHFFFAOYSA-N 0 0 240.266 2.288 10 30 BEEERN C#Cc1csc(CNC(=O)OC(C)(C)C)n1 ZINC000095643216 187362063 /nfs/dbraw/zinc/36/20/63/187362063.db2.gz FLDYYEFRSRRHDW-UHFFFAOYSA-N 0 0 238.312 2.149 10 30 BEEERN N#Cc1ccc(-n2nnc(-c3ccccc3)n2)cc1 ZINC000019867821 187314455 /nfs/dbraw/zinc/31/44/55/187314455.db2.gz VMBRZEMXYJICFQ-UHFFFAOYSA-N 0 0 247.261 2.201 10 30 BEEERN N#Cc1cnc(C[N@@H+]2CCC[C@@H]2C2CCC2)nc1 ZINC000333132930 187365985 /nfs/dbraw/zinc/36/59/85/187365985.db2.gz BDHDJURAZYEUDV-CYBMUJFWSA-N 0 0 242.326 2.113 10 30 BEEERN C[C@@H](CC=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000150238496 346169153 /nfs/dbraw/zinc/16/91/53/346169153.db2.gz PXGYNKVJFCXVNR-JTQLQIEISA-N 0 0 230.267 2.112 10 30 BEEERN C#CC(=O)c1cccc(Br)c1F ZINC000236213513 346211474 /nfs/dbraw/zinc/21/14/74/346211474.db2.gz VTMFYVIENFNVNY-UHFFFAOYSA-N 0 0 227.032 2.404 10 30 BEEERN C=CC(=O)Nc1ccc(C#N)cc1Cl ZINC000236026510 346182883 /nfs/dbraw/zinc/18/28/83/346182883.db2.gz IIPLJJDKCRZRIW-UHFFFAOYSA-N 0 0 206.632 2.336 10 30 BEEERN Cc1cccc(=O)n1Cc1ccccc1C#N ZINC000037670240 179003617 /nfs/dbraw/zinc/00/36/17/179003617.db2.gz RYIZEXSJBHGWLP-UHFFFAOYSA-N 0 0 224.263 2.077 10 30 BEEERN Cc1cccc(C(=O)N2CCC[C@H]2C#N)c1 ZINC000057497081 179008424 /nfs/dbraw/zinc/00/84/24/179008424.db2.gz JHVYZKALWWKBTO-LBPRGKRZSA-N 0 0 214.268 2.123 10 30 BEEERN CSc1nc(N)c(C#N)c(-c2ccccc2)n1 ZINC000034206762 346224162 /nfs/dbraw/zinc/22/41/62/346224162.db2.gz SPXIONFGJMSKIQ-UHFFFAOYSA-N 0 0 242.307 2.319 10 30 BEEERN C#CC[C@H](O)Cc1c(F)cccc1Cl ZINC000062351994 346242625 /nfs/dbraw/zinc/24/26/25/346242625.db2.gz CNZMNCNNTJBWOU-QMMMGPOBSA-N 0 0 212.651 2.406 10 30 BEEERN N#C[C@@H](CO)Cc1ccc(Cl)c(F)c1 ZINC000236503808 346245305 /nfs/dbraw/zinc/24/53/05/346245305.db2.gz WIXZRFDFJNHYSJ-QMMMGPOBSA-N 0 0 213.639 2.154 10 30 BEEERN Cc1ccc2c(c1)CCCN2CCC=O ZINC000062537802 346269876 /nfs/dbraw/zinc/26/98/76/346269876.db2.gz YAOSRFSKLWIKNF-UHFFFAOYSA-N 0 0 203.285 2.337 10 30 BEEERN CC1=C(C(=O)N[C@H]2CCC[C@@H]2C#N)CCC1 ZINC000332688540 537964219 /nfs/dbraw/zinc/96/42/19/537964219.db2.gz PZMOPQNKEZXPRS-PWSUYJOCSA-N 0 0 218.300 2.295 10 30 BEEERN O=CCCSc1ccccc1[N+](=O)[O-] ZINC000062546504 346278894 /nfs/dbraw/zinc/27/88/94/346278894.db2.gz MZLPSIGEFBNINE-UHFFFAOYSA-N 0 0 211.242 2.276 10 30 BEEERN CCNC(=O)c1ccc(Cl)c(C#N)c1F ZINC000669378320 537968497 /nfs/dbraw/zinc/96/84/97/537968497.db2.gz FBSAHZRWIHDLAV-UHFFFAOYSA-N 0 0 226.638 2.100 10 30 BEEERN Cc1cccc(C)c1OCCC/C(N)=N/O ZINC000019476605 179046759 /nfs/dbraw/zinc/04/67/59/179046759.db2.gz KUAHWWMYJJSKQH-UHFFFAOYSA-N 0 0 222.288 2.209 10 30 BEEERN Cc1cccc(C2=CC(=O)C[C@](C)(O)C2)c1 ZINC000040174976 179050904 /nfs/dbraw/zinc/05/09/04/179050904.db2.gz ROJDPVUUBHMCBP-CQSZACIVSA-N 0 0 216.280 2.492 10 30 BEEERN CCCC(=O)N[C@@H](C#N)c1ccccc1 ZINC000041041754 168553603 /nfs/dbraw/zinc/55/36/03/168553603.db2.gz JSLKGEIUFKSYSV-NSHDSACASA-N 0 0 202.257 2.168 10 30 BEEERN C=CCCSc1n[nH]c(=O)n1CCC ZINC000128635662 349970185 /nfs/dbraw/zinc/97/01/85/349970185.db2.gz ZBLBDDIEYQFFAH-UHFFFAOYSA-N 0 0 213.306 2.062 10 30 BEEERN C#CC(C)(C)NC(=O)OCc1ccccc1 ZINC000147339090 346496173 /nfs/dbraw/zinc/49/61/73/346496173.db2.gz JPGJBWDZXJKROY-UHFFFAOYSA-N 0 0 217.268 2.325 10 30 BEEERN Cc1cc2c(c(C)c1)C(=O)O[C@H]2CC#N ZINC000199805391 346603981 /nfs/dbraw/zinc/60/39/81/346603981.db2.gz SRJYIVDWYXLALR-JTQLQIEISA-N 0 0 201.225 2.429 10 30 BEEERN CCOC(=O)COCCCCC1=CCCC1=O ZINC000165569701 346654884 /nfs/dbraw/zinc/65/48/84/346654884.db2.gz JFNYLACZZRWLJV-UHFFFAOYSA-N 0 0 240.299 2.026 10 30 BEEERN Cc1cccc(NC(=O)N2CCC(=NO)CC2)c1 ZINC000019474215 179131115 /nfs/dbraw/zinc/13/11/15/179131115.db2.gz XQOGYAQEXNQXPI-UHFFFAOYSA-N 0 0 247.298 2.453 10 30 BEEERN N#Cc1cnccc1N1CC[C@H](C(F)F)C1 ZINC000588040695 346627807 /nfs/dbraw/zinc/62/78/07/346627807.db2.gz KPMZPOOIIZHUDN-QMMMGPOBSA-N 0 0 223.226 2.045 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1cncc(F)c1 ZINC000309575147 347107686 /nfs/dbraw/zinc/10/76/86/347107686.db2.gz ONUOBWAEWUHPDF-JQWIXIFHSA-N 0 0 219.263 2.003 10 30 BEEERN N#Cc1cnc(NCc2ccccc2)c(N)c1 ZINC000221819867 347112576 /nfs/dbraw/zinc/11/25/76/347112576.db2.gz CKGBBQLMQACTEE-UHFFFAOYSA-N 0 0 224.267 2.148 10 30 BEEERN C#C/C=C/COC(=O)CCc1ccccc1 ZINC000032177614 347134724 /nfs/dbraw/zinc/13/47/24/347134724.db2.gz YFHXFLJONGJWOS-XVNBXDOJSA-N 0 0 214.264 2.352 10 30 BEEERN N#Cc1ccc2c(c1)C(=O)c1cccn1CC2 ZINC000039406762 347190673 /nfs/dbraw/zinc/19/06/73/347190673.db2.gz MGJXCBHTYYKMAT-UHFFFAOYSA-N 0 0 222.247 2.147 10 30 BEEERN N#C[C@H](NC(=O)c1cc2ccccc2[nH]1)C1CC1 ZINC000108843039 347208353 /nfs/dbraw/zinc/20/83/53/347208353.db2.gz ZUTYGVHCRVVQMI-ZDUSSCGKSA-N 0 0 239.278 2.200 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)nc1C ZINC000318818096 347213618 /nfs/dbraw/zinc/21/36/18/347213618.db2.gz VLHUJXMYAXQKCY-NEPJUHHUSA-N 0 0 243.310 2.121 10 30 BEEERN COC(=O)[C@H]1O[C@@]1(C)c1cc(C)cc(C)c1 ZINC000148687973 537988559 /nfs/dbraw/zinc/98/85/59/537988559.db2.gz PAKYOIJVTZBVCS-YPMHNXCESA-N 0 0 220.268 2.090 10 30 BEEERN COC(=O)[C@H]1O[C@]1(C)c1cc(C)cc(C)c1 ZINC000148687742 537988303 /nfs/dbraw/zinc/98/83/03/537988303.db2.gz PAKYOIJVTZBVCS-DGCLKSJQSA-N 0 0 220.268 2.090 10 30 BEEERN CC(C)=CC(=O)c1cc2c(cc1O)OCO2 ZINC000196085555 347482727 /nfs/dbraw/zinc/48/27/27/347482727.db2.gz DIFLKLREVAHVOH-UHFFFAOYSA-N 0 0 220.224 2.270 10 30 BEEERN CN(Cc1ccccn1)[C@H]1CCC[C@@H]1C#N ZINC000036777529 347463631 /nfs/dbraw/zinc/46/36/31/347463631.db2.gz RJJIATQOFDYGNA-YPMHNXCESA-N 0 0 215.300 2.206 10 30 BEEERN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]1C#N ZINC000036777528 347463962 /nfs/dbraw/zinc/46/39/62/347463962.db2.gz RJJIATQOFDYGNA-DGCLKSJQSA-N 0 0 215.300 2.206 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H](CC#N)C(F)F ZINC000261339226 537990336 /nfs/dbraw/zinc/99/03/36/537990336.db2.gz FYCQFWJAWQFTSA-LURJTMIESA-N 0 0 220.219 2.058 10 30 BEEERN Cc1ccccc1C(=O)N1CCC(=NO)CC1 ZINC000019439698 179247719 /nfs/dbraw/zinc/24/77/19/179247719.db2.gz HLWFBQHQFVQTDT-UHFFFAOYSA-N 0 0 232.283 2.061 10 30 BEEERN Cc1nc(N[C@@H]2CCC[C@H]3C[C@H]32)ccc1C#N ZINC000591991939 347721427 /nfs/dbraw/zinc/72/14/27/347721427.db2.gz XAMKELMQVUTHMP-CYZMBNFOSA-N 0 0 227.311 2.284 10 30 BEEERN Cc1ccccc1Cc1noc(CC#N)n1 ZINC000073641221 179293449 /nfs/dbraw/zinc/29/34/49/179293449.db2.gz GIFZDJCWUCMBLD-UHFFFAOYSA-N 0 0 213.240 2.035 10 30 BEEERN CC(C)(C)OC(=O)N1C[Si](C)(C)C[C@H]1C=O ZINC000202082411 347963122 /nfs/dbraw/zinc/96/31/22/347963122.db2.gz SPUYLKOUQWUMPA-SECBINFHSA-N 0 0 243.379 2.052 10 30 BEEERN CN(CCc1ccccn1)[C@@H]1CCC[C@@H]1C#N ZINC000037146637 348023508 /nfs/dbraw/zinc/02/35/08/348023508.db2.gz ASYCVSOHOGOXSW-TZMCWYRMSA-N 0 0 229.327 2.248 10 30 BEEERN COc1cncc(CN[C@H]2CCCC[C@@H]2C#N)c1 ZINC000595687711 348313066 /nfs/dbraw/zinc/31/30/66/348313066.db2.gz DCRVQJSHCVXQQB-OCCSQVGLSA-N 0 0 245.326 2.262 10 30 BEEERN CCn1cc(CN[C@@H]2CCCC[C@@H]2C#N)cn1 ZINC000595690335 348315686 /nfs/dbraw/zinc/31/56/86/348315686.db2.gz QLHDFARRURQOJF-CHWSQXEVSA-N 0 0 232.331 2.075 10 30 BEEERN CC[C@H]1CC[C@H](C)N1C(=NC#N)SC ZINC000251573832 362887011 /nfs/dbraw/zinc/88/70/11/362887011.db2.gz JDQIXNBVJHNPIB-IUCAKERBSA-N 0 0 211.334 2.449 10 30 BEEERN C/C=C1/CN(Cc2ccccc2)CCC1=O ZINC000725246011 538005164 /nfs/dbraw/zinc/00/51/64/538005164.db2.gz PSXIUHRHTLEIJB-SILLCRNTSA-N 0 0 215.296 2.408 10 30 BEEERN CC(C)(C)[C@@H]1CN(C(C)(C)C#N)CCO1 ZINC000336132598 535083283 /nfs/dbraw/zinc/08/32/83/535083283.db2.gz VOEOPHFJSGPZSZ-JTQLQIEISA-N 0 0 210.321 2.035 10 30 BEEERN C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598416676 348970533 /nfs/dbraw/zinc/97/05/33/348970533.db2.gz CTORRMKOTINTFA-WZRBSPASSA-N 0 0 220.316 2.185 10 30 BEEERN Cc1cnn(CCNc2ccc(C#N)cc2)c1 ZINC000105793977 179740583 /nfs/dbraw/zinc/74/05/83/179740583.db2.gz GCBONEITSBICKY-UHFFFAOYSA-N 0 0 226.283 2.175 10 30 BEEERN N#CCc1cc(OC(F)(F)F)ccc1C=O ZINC000616575804 349094523 /nfs/dbraw/zinc/09/45/23/349094523.db2.gz FURPWSPWJVVARW-UHFFFAOYSA-N 0 0 229.157 2.464 10 30 BEEERN N#CCc1cc(C=O)cc(OC(F)(F)F)c1 ZINC000616577207 349121492 /nfs/dbraw/zinc/12/14/92/349121492.db2.gz XTQJNINEERNYFZ-UHFFFAOYSA-N 0 0 229.157 2.464 10 30 BEEERN C=CCN(C(=O)OC(C)(C)C)[C@H](CO)C(C)C ZINC000616578992 349127929 /nfs/dbraw/zinc/12/79/29/349127929.db2.gz NYMPNBVCTBHOSV-LLVKDONJSA-N 0 0 243.347 2.426 10 30 BEEERN C=CC[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000059255692 349212032 /nfs/dbraw/zinc/21/20/32/349212032.db2.gz SISDYNVDFJAPLB-SNVBAGLBSA-N 0 0 238.283 2.322 10 30 BEEERN C[C@H](CC(=O)N[C@H]1CCC[C@@H]1C#N)C(F)(F)F ZINC000599629682 349227990 /nfs/dbraw/zinc/22/79/90/349227990.db2.gz KQZAPPCWTUHBIV-HLTSFMKQSA-N 0 0 248.248 2.383 10 30 BEEERN Fc1cncc(-c2cc(CS)no2)c1 ZINC000725253192 538036314 /nfs/dbraw/zinc/03/63/14/538036314.db2.gz YNJCJEONPSXYTN-UHFFFAOYSA-N 0 0 210.233 2.306 10 30 BEEERN Cc1noc(C)c1CN[C@H]1CCCC[C@H]1C#N ZINC000092339553 362945503 /nfs/dbraw/zinc/94/55/03/362945503.db2.gz PKJWUFBFJLYCNU-AAEUAGOBSA-N 0 0 233.315 2.463 10 30 BEEERN O=C(C=CNCO)c1ccc2ccccc2c1 ZINC000212172393 349304608 /nfs/dbraw/zinc/30/46/08/349304608.db2.gz MKZVVECOLCPMHQ-FPLPWBNLSA-N 0 0 227.263 2.076 10 30 BEEERN Cc1nc(N)c(C#N)c(-c2ccc[nH]2)c1C ZINC000035283501 179997288 /nfs/dbraw/zinc/99/72/88/179997288.db2.gz JYXAZKFKUCYVFC-UHFFFAOYSA-N 0 0 212.256 2.147 10 30 BEEERN N#CCc1n[nH]c2cccc(Br)c21 ZINC000089195787 191020675 /nfs/dbraw/zinc/02/06/75/191020675.db2.gz DJJVRJFOFYCVHT-UHFFFAOYSA-N 0 0 236.072 2.391 10 30 BEEERN CC(C)n1nc(-c2ccnn2C)c(C#N)c1Cl ZINC000725257451 538062538 /nfs/dbraw/zinc/06/25/38/538062538.db2.gz QBAXLTOSZWVFQU-UHFFFAOYSA-N 0 0 249.705 2.390 10 30 BEEERN Cc1ncc(CN[C@@H]2CCC[C@H]2C#N)s1 ZINC000054826239 180156934 /nfs/dbraw/zinc/15/69/34/180156934.db2.gz KAENCNFYJAMKCJ-GXSJLCMTSA-N 0 0 221.329 2.233 10 30 BEEERN Cc1ncsc1CCOc1cc(C#N)ccn1 ZINC000019422491 180311509 /nfs/dbraw/zinc/31/15/09/180311509.db2.gz RCSVZRFSYGBZSE-UHFFFAOYSA-N 0 0 245.307 2.340 10 30 BEEERN Cc1ccc(Br)cc1CC=O ZINC000224972879 350346649 /nfs/dbraw/zinc/34/66/49/350346649.db2.gz MPAHSVHDTYYVJR-UHFFFAOYSA-N 0 0 213.074 2.499 10 30 BEEERN C[C@@H](C#N)C(=O)c1cc(F)c(F)c(F)c1 ZINC000063007258 350379707 /nfs/dbraw/zinc/37/97/07/350379707.db2.gz RATKYDRHWUCBPT-YFKPBYRVSA-N 0 0 213.158 2.446 10 30 BEEERN Cc1nn(C)c(C)c1[C@H](C#N)N1CCCCCC1 ZINC000038086286 180348958 /nfs/dbraw/zinc/34/89/58/180348958.db2.gz VYGCEPFLAGOAOF-ZDUSSCGKSA-N 0 0 246.358 2.478 10 30 BEEERN C=C(C)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000034539385 350471140 /nfs/dbraw/zinc/47/11/40/350471140.db2.gz UTISFCFKPMKVKR-UHFFFAOYSA-N 0 0 207.185 2.076 10 30 BEEERN C=C(C)C(=O)Oc1ccccc1[N+](=O)[O-] ZINC000034539384 350471160 /nfs/dbraw/zinc/47/11/60/350471160.db2.gz OBSKPJKNWVTXJQ-UHFFFAOYSA-N 0 0 207.185 2.076 10 30 BEEERN Cc1nn(Cc2ccc(C#N)cc2)c(C)c1N ZINC000019869443 180391509 /nfs/dbraw/zinc/39/15/09/180391509.db2.gz VHCQKOGQLCEHLB-UHFFFAOYSA-N 0 0 226.283 2.002 10 30 BEEERN C=CCN(CC=C)C(=O)Cc1ccc(N)cc1 ZINC000019478928 166327964 /nfs/dbraw/zinc/32/79/64/166327964.db2.gz QDEMIULYOIRXRZ-UHFFFAOYSA-N 0 0 230.311 2.012 10 30 BEEERN Cc1nnc(NC(C)(C)C)c(C#N)c1C ZINC000040290698 180432542 /nfs/dbraw/zinc/43/25/42/180432542.db2.gz UMWDKCYSUPEASM-UHFFFAOYSA-N 0 0 204.277 2.176 10 30 BEEERN Cc1cnc(CN[C@@H]2CCC[C@@H]2C#N)s1 ZINC000334508879 350674732 /nfs/dbraw/zinc/67/47/32/350674732.db2.gz LDQREVXODRJMSV-NXEZZACHSA-N 0 0 221.329 2.233 10 30 BEEERN CN[C@H](C#N)c1cc(F)ccc1Br ZINC000234450070 350697926 /nfs/dbraw/zinc/69/79/26/350697926.db2.gz PRJSWQNFKDNHQB-SECBINFHSA-N 0 0 243.079 2.372 10 30 BEEERN C#CCN[C@H](C#N)c1cccc(Br)c1 ZINC000051962849 350829390 /nfs/dbraw/zinc/82/93/90/350829390.db2.gz BMXQAOSVSZWYSW-LLVKDONJSA-N 0 0 249.111 2.237 10 30 BEEERN N#Cc1cnn(CCc2ccsc2)c1 ZINC000306700615 350849569 /nfs/dbraw/zinc/84/95/69/350849569.db2.gz FXGQHDCFIOBEND-UHFFFAOYSA-N 0 0 203.270 2.059 10 30 BEEERN N#CC#Cc1ccc(Br)cc1 ZINC000106885925 350855181 /nfs/dbraw/zinc/85/51/81/350855181.db2.gz HIIBJXYUSDJOOS-UHFFFAOYSA-N 0 0 206.042 2.324 10 30 BEEERN C[Si](C)(C)C[C@]1(C=O)CCCOC1 ZINC000306734312 350904986 /nfs/dbraw/zinc/90/49/86/350904986.db2.gz URTHMLYMGQSPAD-JTQLQIEISA-N 0 0 200.354 2.320 10 30 BEEERN N#Cc1c(F)ccc(Br)c1[N+](=O)[O-] ZINC000306716455 350877492 /nfs/dbraw/zinc/87/74/92/350877492.db2.gz GFRFUKGQPBZVTM-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN N#Cc1cc(Cl)nc(OC(F)F)c1 ZINC000306720296 350879056 /nfs/dbraw/zinc/87/90/56/350879056.db2.gz MWODFZHGINYSKY-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN CC#CCCC(=O)c1cc(N)ccc1F ZINC000306725754 350896249 /nfs/dbraw/zinc/89/62/49/350896249.db2.gz LCHLBQWFNPUFEX-UHFFFAOYSA-N 0 0 205.232 2.394 10 30 BEEERN C[C@@H]1CCCC[C@@]1(C)NC(=O)CS ZINC000306757710 350970545 /nfs/dbraw/zinc/97/05/45/350970545.db2.gz SQGUHEKLTABXJN-PSASIEDQSA-N 0 0 201.335 2.001 10 30 BEEERN C=C(CS)Cn1cnc2c1CCCC2 ZINC000231635542 350985003 /nfs/dbraw/zinc/98/50/03/350985003.db2.gz LMMCWYQAQLVAOA-UHFFFAOYSA-N 0 0 208.330 2.248 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)N(CC#N)c2ccccc2)O1 ZINC000177694504 366019802 /nfs/dbraw/zinc/01/98/02/366019802.db2.gz DUDZMUPJPSPAEM-YPMHNXCESA-N 0 0 244.294 2.111 10 30 BEEERN N#C[C@@H](CO)Cc1ccc(Br)s1 ZINC000063064094 351045541 /nfs/dbraw/zinc/04/55/41/351045541.db2.gz XKQCMBNWCYCNCT-LURJTMIESA-N 0 0 246.129 2.185 10 30 BEEERN COc1cccc(C(=O)C2=COCC2)c1 ZINC000306809906 351064004 /nfs/dbraw/zinc/06/40/04/351064004.db2.gz SQSJKFRBYLGKGU-UHFFFAOYSA-N 0 0 204.225 2.182 10 30 BEEERN N#Cc1ccc([C@@H]2CCCCN(C(N)=O)C2)cc1 ZINC000616630988 351104594 /nfs/dbraw/zinc/10/45/94/351104594.db2.gz WSQBQKZLLLTHAU-CYBMUJFWSA-N 0 0 243.310 2.206 10 30 BEEERN CCCCCCCC[C@H](F)[C@H](O)CO ZINC000100835462 168654430 /nfs/dbraw/zinc/65/44/30/168654430.db2.gz GFBONKCHWOVHKQ-WDEREUQCSA-N 0 0 206.301 2.428 10 30 BEEERN CCCCCCCCOC[C@H](O)COC ZINC000073258263 168653995 /nfs/dbraw/zinc/65/39/95/168653995.db2.gz WBQFDIOPTGUCHC-GFCCVEGCSA-N 0 0 218.337 2.371 10 30 BEEERN COC(=O)c1c(Cl)cc(C)cc1C#N ZINC000306847367 351158717 /nfs/dbraw/zinc/15/87/17/351158717.db2.gz LEVDJIUSXCDEFH-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN Cc1cc(N(C)[C@H](C)CC#N)nc(Cl)n1 ZINC000063097679 351140767 /nfs/dbraw/zinc/14/07/67/351140767.db2.gz ALWMKNSTCQQLJY-MRVPVSSYSA-N 0 0 224.695 2.177 10 30 BEEERN S[C@@H]1CCOC2(CCSCC2)C1 ZINC000306861812 351244222 /nfs/dbraw/zinc/24/42/22/351244222.db2.gz GPZJHYHOSRUFRT-MRVPVSSYSA-N 0 0 204.360 2.361 10 30 BEEERN C/C(=C/N(C)C)C(=O)c1ccccc1F ZINC000168124002 351306829 /nfs/dbraw/zinc/30/68/29/351306829.db2.gz JKDZSQMLXQPRLZ-HJWRWDBZSA-N 0 0 207.248 2.474 10 30 BEEERN C=C(Cl)CNc1ccc(C#N)c(C)n1 ZINC000306913525 351325023 /nfs/dbraw/zinc/32/50/23/351325023.db2.gz PKIQGSHOWNXSPY-UHFFFAOYSA-N 0 0 207.664 2.426 10 30 BEEERN CN(O)C(=O)c1cccc(Br)c1F ZINC000306872337 351268088 /nfs/dbraw/zinc/26/80/88/351268088.db2.gz UWMLJHGXQFDOLJ-UHFFFAOYSA-N 0 0 248.051 2.049 10 30 BEEERN Cc1cnc([C@@H](C)Nc2cccnc2C#N)o1 ZINC000231745083 351278116 /nfs/dbraw/zinc/27/81/16/351278116.db2.gz ZYFQSVXQXFKAQC-SECBINFHSA-N 0 0 228.255 2.423 10 30 BEEERN Cc1cnc([C@H](C)Nc2cc(C#N)ccn2)o1 ZINC000231745015 351278919 /nfs/dbraw/zinc/27/89/19/351278919.db2.gz GWBBXMVQJOTFLR-VIFPVBQESA-N 0 0 228.255 2.423 10 30 BEEERN C=C[C@H](O)c1cc(Br)ccc1N ZINC000306881499 351279020 /nfs/dbraw/zinc/27/90/20/351279020.db2.gz LXZLYVPIAAGGIT-VIFPVBQESA-N 0 0 228.089 2.251 10 30 BEEERN C=C(Br)CN1CCC(=O)[C@@H](C)[C@@H]1C ZINC000168319251 351375899 /nfs/dbraw/zinc/37/58/99/351375899.db2.gz RQLJJAGYMGOYHU-IUCAKERBSA-N 0 0 246.148 2.194 10 30 BEEERN C#C[C@@H](O)c1ccc(OC)cc1Br ZINC000306990440 351406589 /nfs/dbraw/zinc/40/65/89/351406589.db2.gz TYJRPOZYVIRNQD-SNVBAGLBSA-N 0 0 241.084 2.124 10 30 BEEERN C=C(C)[C@H](O)c1ccncc1Br ZINC000307033177 351432458 /nfs/dbraw/zinc/43/24/58/351432458.db2.gz RCGMPFZVVIKXFJ-VIFPVBQESA-N 0 0 228.089 2.454 10 30 BEEERN C[C@H](CC#N)[NH2+][C@@H](C)COCc1ccccc1 ZINC000307032285 351432467 /nfs/dbraw/zinc/43/24/67/351432467.db2.gz PZKJZDCLWYEZCQ-OLZOCXBDSA-N 0 0 232.327 2.483 10 30 BEEERN COC(=O)c1cc(C)c(Cl)cc1C#N ZINC000307043630 351444685 /nfs/dbraw/zinc/44/46/85/351444685.db2.gz UZDBBTZPNVZCHK-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C=C([C@@H](O)c1ccccn1)C(F)(F)F ZINC000307066066 351462430 /nfs/dbraw/zinc/46/24/30/351462430.db2.gz UYADFRXKBNXHMK-MRVPVSSYSA-N 0 0 203.163 2.234 10 30 BEEERN C#CC[C@@H](NN)c1cc(F)ccc1Cl ZINC000307136494 351494444 /nfs/dbraw/zinc/49/44/44/351494444.db2.gz UWCRFZTVMPNBPA-SNVBAGLBSA-N 0 0 212.655 2.007 10 30 BEEERN O=C[C@@]1(C[C@@H]2CCCO2)CCCS1 ZINC000307145850 351498838 /nfs/dbraw/zinc/49/88/38/351498838.db2.gz JTUNQAXHGZISGF-UWVGGRQHSA-N 0 0 200.303 2.020 10 30 BEEERN CC[C@@H]1CCC[C@@H]1NC(=O)C#CBr ZINC000307126593 351491394 /nfs/dbraw/zinc/49/13/94/351491394.db2.gz IHYUDGXQMGRQLR-BDAKNGLRSA-N 0 0 244.132 2.037 10 30 BEEERN C[C@@H]1C[C@H]1Nc1c(Cl)nsc1C#N ZINC000307167180 351537201 /nfs/dbraw/zinc/53/72/01/351537201.db2.gz QVWITDHECAALKE-RFZPGFLSSA-N 0 0 213.693 2.488 10 30 BEEERN O=C[C@H]1CC[C@H](c2ncc(Cl)s2)O1 ZINC000307167224 351537295 /nfs/dbraw/zinc/53/72/95/351537295.db2.gz QZYKPYMIZUIYJL-PHDIDXHHSA-N 0 0 217.677 2.216 10 30 BEEERN C=C[C@H](NN)c1cc(Br)cs1 ZINC000228942419 351548207 /nfs/dbraw/zinc/54/82/07/351548207.db2.gz WZCLMBLBOKNZCY-LURJTMIESA-N 0 0 233.134 2.201 10 30 BEEERN N#CC1(C[C@@H](O)COCc2ccccc2)CC1 ZINC000307179214 351565554 /nfs/dbraw/zinc/56/55/54/351565554.db2.gz KBSGSWKJOGPAGN-CYBMUJFWSA-N 0 0 231.295 2.258 10 30 BEEERN CC1(C)C[C@](C#N)(NCc2ccccc2)CO1 ZINC000307206465 351608187 /nfs/dbraw/zinc/60/81/87/351608187.db2.gz ILXZFRYHNMOJRE-CQSZACIVSA-N 0 0 230.311 2.237 10 30 BEEERN C[C@@]1(C=O)CC[C@@]2(CCOC(C)(C)C2)O1 ZINC000307228358 351675829 /nfs/dbraw/zinc/67/58/29/351675829.db2.gz HWLRJPUGHMLOSI-RYUDHWBXSA-N 0 0 212.289 2.082 10 30 BEEERN CC(C)[C@@H](C)NC=C1C(=O)CC(C)(C)CC1=O ZINC000121020994 535166989 /nfs/dbraw/zinc/16/69/89/535166989.db2.gz FQYZXCUVNGFBTH-SNVBAGLBSA-N 0 0 237.343 2.463 10 30 BEEERN N#CCCNc1ncc(Br)s1 ZINC000307300652 351920413 /nfs/dbraw/zinc/92/04/13/351920413.db2.gz SNFKOMNTPZPJTF-UHFFFAOYSA-N 0 0 232.106 2.231 10 30 BEEERN C#C[C@H](C)NC(=S)Nc1ccsc1 ZINC000307292553 351903021 /nfs/dbraw/zinc/90/30/21/351903021.db2.gz BRJCUHXNKGURED-ZETCQYMHSA-N 0 0 210.327 2.056 10 30 BEEERN Cn1cc([C@H](C#N)Nc2ccc(F)cc2)cn1 ZINC000037935909 180667961 /nfs/dbraw/zinc/66/79/61/180667961.db2.gz MDHAICCGBDBHKZ-LBPRGKRZSA-N 0 0 230.246 2.236 10 30 BEEERN COc1ccc(C(=O)C[C@H](C)C#N)cc1OC ZINC000033426730 187593432 /nfs/dbraw/zinc/59/34/32/187593432.db2.gz SYZNTCHKCVNXHB-VIFPVBQESA-N 0 0 233.267 2.436 10 30 BEEERN Cc1cnc([C@@H](C)NCc2ccnc(C#N)c2)o1 ZINC000230645684 352196521 /nfs/dbraw/zinc/19/65/21/352196521.db2.gz OJMZZOIYRKRIMK-SNVBAGLBSA-N 0 0 242.282 2.101 10 30 BEEERN C=C[C@]1(O)CCCc2nc(OCC)ccc21 ZINC000039100529 187665559 /nfs/dbraw/zinc/66/55/59/187665559.db2.gz ILUBZOUODSRQBN-ZDUSSCGKSA-N 0 0 219.284 2.190 10 30 BEEERN N#Cc1cccc2[nH]c(-c3cc[nH]n3)cc21 ZINC000034408864 187668476 /nfs/dbraw/zinc/66/84/76/187668476.db2.gz KLTQVBNAKAMYNB-UHFFFAOYSA-N 0 0 208.224 2.430 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@H](C)C(C)C ZINC000044765423 352392568 /nfs/dbraw/zinc/39/25/68/352392568.db2.gz ZNFCGWJSHXSYQQ-SNVBAGLBSA-N 0 0 210.321 2.477 10 30 BEEERN CC(C)[C@@H]1N(c2nccc(C#N)n2)CC1(C)C ZINC000295748409 187699669 /nfs/dbraw/zinc/69/96/69/187699669.db2.gz ZMLVTJNEWAWOLF-NSHDSACASA-N 0 0 230.315 2.219 10 30 BEEERN C=CCN1c2cc(C)cc(C)c2C(=O)C1=O ZINC000042101128 166350053 /nfs/dbraw/zinc/35/00/53/166350053.db2.gz XUSJUMAJMUFIFN-UHFFFAOYSA-N 0 0 215.252 2.019 10 30 BEEERN C=CC(=O)[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300032461 352553135 /nfs/dbraw/zinc/55/31/35/352553135.db2.gz VNCXKYHESMVFRD-FJXKBIBVSA-N 0 0 202.344 2.367 10 30 BEEERN C=C[C@H](O)c1cncc(Br)c1 ZINC000164009863 352555720 /nfs/dbraw/zinc/55/57/20/352555720.db2.gz MLWWXYYKQUNDES-QMMMGPOBSA-N 0 0 214.062 2.064 10 30 BEEERN CO[C@@H](C=O)c1cscc1Br ZINC000307410730 352587201 /nfs/dbraw/zinc/58/72/01/352587201.db2.gz QXPCIIHPFZKZHG-ZETCQYMHSA-N 0 0 235.102 2.397 10 30 BEEERN O=C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000307475343 352619017 /nfs/dbraw/zinc/61/90/17/352619017.db2.gz XTLPUFNIDDJQJW-MRVPVSSYSA-N 0 0 205.040 2.226 10 30 BEEERN COC(=O)c1cc(C#N)cc(C)c1Cl ZINC000307464950 352615458 /nfs/dbraw/zinc/61/54/58/352615458.db2.gz LVEOLNCTWQEFOE-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN CN[C@H](C#N)c1cccc(Br)c1F ZINC000307554480 352648609 /nfs/dbraw/zinc/64/86/09/352648609.db2.gz WXPNWYYQSPUGLZ-MRVPVSSYSA-N 0 0 243.079 2.372 10 30 BEEERN C[C@@H]1C[C@@](C#N)(NCc2ccccc2)[C@H](C)O1 ZINC000307551697 352648657 /nfs/dbraw/zinc/64/86/57/352648657.db2.gz ZHKSXFZRNQWLGU-DYEKYZERSA-N 0 0 230.311 2.236 10 30 BEEERN C[C@@H]1CC=C(C(=O)Cc2csnn2)CC1 ZINC000307606739 352668380 /nfs/dbraw/zinc/66/83/80/352668380.db2.gz BQIBMKKKVPZENO-MRVPVSSYSA-N 0 0 222.313 2.396 10 30 BEEERN CCc1nc([C@H]2OCC[C@H]2C#N)cs1 ZINC000307514980 352631734 /nfs/dbraw/zinc/63/17/34/352631734.db2.gz PCYHHJFUMYQSCX-XVKPBYJWSA-N 0 0 208.286 2.307 10 30 BEEERN CCc1nn(C)cc1C1=CCCCC1=O ZINC000307615083 352675278 /nfs/dbraw/zinc/67/52/78/352675278.db2.gz PLUYSDZFECHFSE-UHFFFAOYSA-N 0 0 204.273 2.119 10 30 BEEERN CCC[C@H](C#N)NC(=O)c1ccc(C)nc1C ZINC000055330890 323896024 /nfs/dbraw/zinc/89/60/24/323896024.db2.gz URFYTDSHQMWYCK-LLVKDONJSA-N 0 0 231.299 2.121 10 30 BEEERN C=C(C(=O)OCC)[C@H](O)c1ccc(C)cc1 ZINC000019836275 187883577 /nfs/dbraw/zinc/88/35/77/187883577.db2.gz AQIAXXFWXZRINF-LBPRGKRZSA-N 0 0 220.268 2.148 10 30 BEEERN CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1CO1 ZINC000034557671 187923614 /nfs/dbraw/zinc/92/36/14/187923614.db2.gz JPQROVHYTNFLRP-VHSXEESVSA-N 0 0 229.320 2.325 10 30 BEEERN N#CC(C#N)=NNc1ccc(Br)cc1 ZINC000003083178 187927205 /nfs/dbraw/zinc/92/72/05/187927205.db2.gz JJDIGWXKILXPDT-UHFFFAOYSA-N 0 0 249.071 2.264 10 30 BEEERN C=C(Br)CN1CC(C)(C)C1 ZINC000306622097 353030313 /nfs/dbraw/zinc/03/03/13/353030313.db2.gz CLFASEPKYYVSHZ-UHFFFAOYSA-N 0 0 204.111 2.237 10 30 BEEERN CC(C)N(CCC#N)c1ccc(C#N)cc1N ZINC000042528869 187947428 /nfs/dbraw/zinc/94/74/28/187947428.db2.gz ZDIJQUFZSHSKLG-UHFFFAOYSA-N 0 0 228.299 2.269 10 30 BEEERN C#CC(C)(C)Nc1nc(Cl)c(C#N)s1 ZINC000232538042 353113912 /nfs/dbraw/zinc/11/39/12/353113912.db2.gz MDUUIUAOLJYUCU-UHFFFAOYSA-N 0 0 225.704 2.492 10 30 BEEERN CC(=O)c1ccc(C#N)c(NCC(F)F)c1 ZINC000302096615 187989619 /nfs/dbraw/zinc/98/96/19/187989619.db2.gz JKIWJYYALFAXRR-UHFFFAOYSA-N 0 0 224.210 2.438 10 30 BEEERN CC(C)(C)OC(=O)N=C(N)c1cccc(F)c1 ZINC000082549132 188007532 /nfs/dbraw/zinc/00/75/32/188007532.db2.gz OQFCYOGTCGEIDA-UHFFFAOYSA-N 0 0 238.262 2.466 10 30 BEEERN CC#CCNc1nc(CC)nc(Cl)c1C ZINC000229322171 353120801 /nfs/dbraw/zinc/12/08/01/353120801.db2.gz BUEDRAMONVUFMQ-UHFFFAOYSA-N 0 0 223.707 2.436 10 30 BEEERN C=C(C)COc1cc(CO)ccc1OC ZINC000020032231 188004115 /nfs/dbraw/zinc/00/41/15/188004115.db2.gz IAHOPYOEZBTKID-UHFFFAOYSA-N 0 0 208.257 2.142 10 30 BEEERN C=CCn1c(N)c(C2CCOCC2)[nH+]c1CC ZINC000103545036 188052169 /nfs/dbraw/zinc/05/21/69/188052169.db2.gz WDIRRCJNATZMQM-UHFFFAOYSA-N 0 0 235.331 2.108 10 30 BEEERN O=C[C@]1([C@@H]2CCSC2)CCCS1 ZINC000405272244 353156194 /nfs/dbraw/zinc/15/61/94/353156194.db2.gz VLGRWYPQOFUMQH-BDAKNGLRSA-N 0 0 202.344 2.204 10 30 BEEERN C=CCCC(=O)CCNC(=O)OC(C)(C)C ZINC000223159910 353159882 /nfs/dbraw/zinc/15/98/82/353159882.db2.gz VCTWOBCOVYKATE-UHFFFAOYSA-N 0 0 227.304 2.437 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000329757674 538109491 /nfs/dbraw/zinc/10/94/91/538109491.db2.gz ZMBWACQNTFMEAR-CYDGBPFRSA-N 0 0 247.342 2.325 10 30 BEEERN CCC[C@]1(C(=O)OCC)O[C@]12CC[C@@H]1C[C@@H]12 ZINC000309128763 538110525 /nfs/dbraw/zinc/11/05/25/538110525.db2.gz JJYJVDRGCZHPHR-RSLMWUCJSA-N 0 0 224.300 2.287 10 30 BEEERN CC[C@]1(c2cccc(C)c2)O[C@@H]1C(=O)OC ZINC000309250817 538110971 /nfs/dbraw/zinc/11/09/71/538110971.db2.gz ZQRVJBIUYODNDP-DGCLKSJQSA-N 0 0 220.268 2.172 10 30 BEEERN Cc1noc(C)c1CN[C@@H]1CCC[C@@H]1C#N ZINC000070797520 353262668 /nfs/dbraw/zinc/26/26/68/353262668.db2.gz RVQFOXOOAIDZPH-ZYHUDNBSSA-N 0 0 219.288 2.073 10 30 BEEERN C=C(Cl)CN[C@@H](C)c1nccnc1C ZINC000219191067 188251486 /nfs/dbraw/zinc/25/14/86/188251486.db2.gz PZKRMGUQWXMXPF-VIFPVBQESA-N 0 0 211.696 2.188 10 30 BEEERN C=C(C)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000005426866 188269033 /nfs/dbraw/zinc/26/90/33/188269033.db2.gz PREOAMSWILFNDX-JTQLQIEISA-N 0 0 206.241 2.415 10 30 BEEERN CCO/C=N/c1ccccc1C(=O)OC ZINC000002574904 188272444 /nfs/dbraw/zinc/27/24/44/188272444.db2.gz GWBUWKDRTPJROK-XYOKQWHBSA-N 0 0 207.229 2.170 10 30 BEEERN N#CCCCOCc1ccc2c(c1)OCO2 ZINC000019482829 188280895 /nfs/dbraw/zinc/28/08/95/188280895.db2.gz DGDVNJILNGJKOS-UHFFFAOYSA-N 0 0 219.240 2.236 10 30 BEEERN CC(C)[C@@H](C)CNC(=O)C1(C#N)CC(C)C1 ZINC000122384348 324042388 /nfs/dbraw/zinc/04/23/88/324042388.db2.gz VHOFYCUNDPBZDF-AKJDGMEZSA-N 0 0 222.332 2.335 10 30 BEEERN CCCn1nccc1CN[C@@H]1CCC[C@H]1C#N ZINC000160141285 353299838 /nfs/dbraw/zinc/29/98/38/353299838.db2.gz NPPHZSDLNABRTH-WCQYABFASA-N 0 0 232.331 2.075 10 30 BEEERN N#CCCN(Cc1ccccc1C#N)C1CC1 ZINC000042359813 188293287 /nfs/dbraw/zinc/29/32/87/188293287.db2.gz AEAHECWZXOVWQC-UHFFFAOYSA-N 0 0 225.295 2.436 10 30 BEEERN N#CCCN(c1ccc(C#N)cc1N)C1CC1 ZINC000042531282 188293306 /nfs/dbraw/zinc/29/33/06/188293306.db2.gz MUKBZQKAXZTSRE-UHFFFAOYSA-N 0 0 226.283 2.023 10 30 BEEERN CC(C)N(CCC#N)c1ccncc1[N+](=O)[O-] ZINC000042530889 188293588 /nfs/dbraw/zinc/29/35/88/188293588.db2.gz JWJQIHMPVUCYNS-UHFFFAOYSA-N 0 0 234.259 2.118 10 30 BEEERN CC(C)N(CCC#N)CCOc1cccc(N)c1 ZINC000042528566 188293709 /nfs/dbraw/zinc/29/37/09/188293709.db2.gz LRRMOLLSSXXTCX-UHFFFAOYSA-N 0 0 247.342 2.272 10 30 BEEERN C[C@H](C#N)CN(C)CCCOc1ccc(N)cc1 ZINC000042454832 188293836 /nfs/dbraw/zinc/29/38/36/188293836.db2.gz NUJJEALXMWMODB-GFCCVEGCSA-N 0 0 247.342 2.129 10 30 BEEERN C[C@@H](CC#N)C(=O)c1ccc2c(c1)OCCO2 ZINC000048259152 188298057 /nfs/dbraw/zinc/29/80/57/188298057.db2.gz NTVVXRWBKXVWNS-VIFPVBQESA-N 0 0 231.251 2.190 10 30 BEEERN N#CCCCCn1ncc2ccc(N)cc21 ZINC000049578604 188299132 /nfs/dbraw/zinc/29/91/32/188299132.db2.gz QCEBPUBPYIQKMX-UHFFFAOYSA-N 0 0 214.272 2.312 10 30 BEEERN Cc1nn(Cc2ccccc2)c(C)c1/C=N\O ZINC000072266547 188307112 /nfs/dbraw/zinc/30/71/12/188307112.db2.gz PGJINSLINBVDJQ-ZSOIEALJSA-N 0 0 229.283 2.356 10 30 BEEERN Cc1nc(C#N)c(Br)nc1Cl ZINC000098181065 188322238 /nfs/dbraw/zinc/32/22/38/188322238.db2.gz NDVPBXFTAPSASC-UHFFFAOYSA-N 0 0 232.468 2.073 10 30 BEEERN CC1(C)Oc2cc(C#N)ccc2[C@H]2O[C@H]21 ZINC000098178836 188322346 /nfs/dbraw/zinc/32/23/46/188322346.db2.gz WFXHJLORJYMGHL-GHMZBOCLSA-N 0 0 201.225 2.169 10 30 BEEERN COCC1(C[NH2+][C@H]2CCCC[C@@H]2C#N)CCC1 ZINC000383478609 353334023 /nfs/dbraw/zinc/33/40/23/353334023.db2.gz AHIZVOKQSIBWLD-OLZOCXBDSA-N 0 0 236.359 2.475 10 30 BEEERN N#CCc1[nH]nc2cc(Br)ccc21 ZINC000089195942 188317809 /nfs/dbraw/zinc/31/78/09/188317809.db2.gz CBZWXPFVJXRXGW-UHFFFAOYSA-N 0 0 236.072 2.391 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@@H](C#N)C(C)C ZINC000044812711 188326617 /nfs/dbraw/zinc/32/66/17/188326617.db2.gz QSMUCKHZAODTDP-NSHDSACASA-N 0 0 208.305 2.207 10 30 BEEERN Cc1cc(C)c(C#N)c(NCC2(C)COC2)n1 ZINC000112695952 188327411 /nfs/dbraw/zinc/32/74/11/188327411.db2.gz UJZRYLROCKBIAK-UHFFFAOYSA-N 0 0 231.299 2.019 10 30 BEEERN C#C[C@@H](NC)c1cccc(F)c1Br ZINC000130070413 353339477 /nfs/dbraw/zinc/33/94/77/353339477.db2.gz PJBUJXUADLFCEI-SECBINFHSA-N 0 0 242.091 2.482 10 30 BEEERN N#C[C@@H](c1ncc(Cl)s1)N1CCCC1 ZINC000223202757 353349295 /nfs/dbraw/zinc/34/92/95/353349295.db2.gz PLOBBRXLPXWHGH-ZETCQYMHSA-N 0 0 227.720 2.457 10 30 BEEERN C=C(C)[C@@H]1Cc2c(ccc(C(C)=O)c2O)O1 ZINC000013305886 188342393 /nfs/dbraw/zinc/34/23/93/188342393.db2.gz NGFZSKZFASBMBR-LBPRGKRZSA-N 0 0 218.252 2.474 10 30 BEEERN Cc1ccc(SCC[C@H](N)C#N)cc1 ZINC000062453220 188360777 /nfs/dbraw/zinc/36/07/77/188360777.db2.gz KYXMEFVRSNARNR-JTQLQIEISA-N 0 0 206.314 2.328 10 30 BEEERN CCO/N=C(/C)c1cccc(NC(C)=O)c1 ZINC000098001870 188367797 /nfs/dbraw/zinc/36/77/97/188367797.db2.gz NFPGKDDMHBMGDY-ZROIWOOFSA-N 0 0 220.272 2.406 10 30 BEEERN C#CCCCCNc1nccn(CC(C)C)c1=O ZINC000091739842 353411674 /nfs/dbraw/zinc/41/16/74/353411674.db2.gz DNVKQABRYDBVAW-UHFFFAOYSA-N 0 0 247.342 2.115 10 30 BEEERN C=CCCCN(C)C(=O)c1cccn1C ZINC000135084623 353525632 /nfs/dbraw/zinc/52/56/32/353525632.db2.gz GMJRROYLEQZFCC-UHFFFAOYSA-N 0 0 206.289 2.063 10 30 BEEERN C=CCCCN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000135094210 353526061 /nfs/dbraw/zinc/52/60/61/353526061.db2.gz JQCOSNHCSQJYGK-UHFFFAOYSA-N 0 0 238.243 2.226 10 30 BEEERN C#CCCCC(=O)N[C@@H]1COc2ccccc21 ZINC000192098056 353542205 /nfs/dbraw/zinc/54/22/05/353542205.db2.gz UWTHSZLHGMBQBK-GFCCVEGCSA-N 0 0 229.279 2.040 10 30 BEEERN CC(C)=CC(=O)c1cnn2ccccc12 ZINC000231935063 353674411 /nfs/dbraw/zinc/67/44/11/353674411.db2.gz ZGOOHTAFHREWRO-UHFFFAOYSA-N 0 0 200.241 2.483 10 30 BEEERN CCCCCNc1c(C#N)c(C)nn1C ZINC000082583595 168721530 /nfs/dbraw/zinc/72/15/30/168721530.db2.gz WTFXNVIKBPTZDZ-UHFFFAOYSA-N 0 0 206.293 2.202 10 30 BEEERN CC1(C)CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000334535170 353914951 /nfs/dbraw/zinc/91/49/51/353914951.db2.gz IWGKUSBWRSLNDE-MNOVXSKESA-N 0 0 235.331 2.120 10 30 BEEERN N#CCC(=O)c1cccc(OC(F)F)c1 ZINC000034957522 181034875 /nfs/dbraw/zinc/03/48/75/181034875.db2.gz VRRBMZZUCRHDSB-UHFFFAOYSA-N 0 0 211.167 2.384 10 30 BEEERN N#CCN1c2cccc3cccc(c23)C1=O ZINC000019442012 181041251 /nfs/dbraw/zinc/04/12/51/181041251.db2.gz XRGZCEABLGCFDB-UHFFFAOYSA-N 0 0 208.220 2.324 10 30 BEEERN N#CC[C@@H](O)c1ccc(Br)cc1 ZINC000082292830 181044938 /nfs/dbraw/zinc/04/49/38/181044938.db2.gz QBIXYALEBZJFSR-SECBINFHSA-N 0 0 226.073 2.396 10 30 BEEERN N#CC[C@@H](O)Cc1c(F)cccc1Cl ZINC000041227206 181044991 /nfs/dbraw/zinc/04/49/91/181044991.db2.gz BSWWQZREMOIGJR-SSDOTTSWSA-N 0 0 213.639 2.296 10 30 BEEERN N#CC[C@H](c1ccccc1)N1CCC[C@H](O)C1 ZINC000055019796 181045775 /nfs/dbraw/zinc/04/57/75/181045775.db2.gz PETPVEQHJPAYIN-UONOGXRCSA-N 0 0 230.311 2.098 10 30 BEEERN N#CC[C@H](N[C@H]1CCCOC1)c1ccccc1 ZINC000103954950 181045918 /nfs/dbraw/zinc/04/59/18/181045918.db2.gz JNQKAQHYZTVUPY-KBPBESRZSA-N 0 0 230.311 2.410 10 30 BEEERN N#CC[C@H](N)c1ccc(Br)cc1 ZINC000071532015 181046285 /nfs/dbraw/zinc/04/62/85/181046285.db2.gz USZBSIPPVCXNKC-VIFPVBQESA-N 0 0 225.089 2.363 10 30 BEEERN N#CC[C@](C#N)(c1ccccc1)c1cnccn1 ZINC000005490087 181047355 /nfs/dbraw/zinc/04/73/55/181047355.db2.gz OAYLSFHTIGQKRV-AWEZNQCLSA-N 0 0 234.262 2.200 10 30 BEEERN N#CCc1nc(Cc2ccccc2Cl)no1 ZINC000073641237 181049740 /nfs/dbraw/zinc/04/97/40/181049740.db2.gz FPPSPQSXHCOJQM-UHFFFAOYSA-N 0 0 233.658 2.380 10 30 BEEERN N#CCc1nc2ccccc2n1Cc1ccno1 ZINC000104338659 181049929 /nfs/dbraw/zinc/04/99/29/181049929.db2.gz BSKBDYFGSMOARZ-UHFFFAOYSA-N 0 0 238.250 2.139 10 30 BEEERN N#CCc1noc(-c2ccc(F)cc2F)n1 ZINC000073641431 181051040 /nfs/dbraw/zinc/05/10/40/181051040.db2.gz VSFNPMHHEJSAPC-UHFFFAOYSA-N 0 0 221.166 2.081 10 30 BEEERN N#C[C@@H](NC[C@H]1CCCO1)c1cccs1 ZINC000041671867 181057569 /nfs/dbraw/zinc/05/75/69/181057569.db2.gz YRAYHNNJJXTVMA-NXEZZACHSA-N 0 0 222.313 2.081 10 30 BEEERN N#C[C@@H](Nc1ccc(F)cc1)[C@H]1CCOC1 ZINC000037935781 181057588 /nfs/dbraw/zinc/05/75/88/181057588.db2.gz RDCZTEFCEPWTJB-JOYOIKCWSA-N 0 0 220.247 2.166 10 30 BEEERN N#CN=C(Nc1ccccc1)c1ccccn1 ZINC000026994172 181052678 /nfs/dbraw/zinc/05/26/78/181052678.db2.gz USIDLHFTIVIMHD-UHFFFAOYSA-N 0 0 222.251 2.231 10 30 BEEERN N#C[C@@H](CCc1ccccc1)NC[C@H]1CCCO1 ZINC000061625266 181054175 /nfs/dbraw/zinc/05/41/75/181054175.db2.gz OFDRUMKALZNRNV-HUUCEWRRSA-N 0 0 244.338 2.280 10 30 BEEERN COC(C)(C)c1ccc(C#N)c(Cl)n1 ZINC000301015953 363295582 /nfs/dbraw/zinc/29/55/82/363295582.db2.gz PAUHEYITYODWTC-UHFFFAOYSA-N 0 0 210.664 2.488 10 30 BEEERN N#C[C@@H](N)CCOc1cccc2ccccc21 ZINC000019666749 181055737 /nfs/dbraw/zinc/05/57/37/181055737.db2.gz OVQOXZAHLYWBSZ-LBPRGKRZSA-N 0 0 226.279 2.460 10 30 BEEERN N#C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000074468092 181055839 /nfs/dbraw/zinc/05/58/39/181055839.db2.gz WZWXUJQVXUAOJW-QMMMGPOBSA-N 0 0 229.201 2.380 10 30 BEEERN N#CCc1cc2cccc3c2n(c1=O)CCC3 ZINC000049474309 181048102 /nfs/dbraw/zinc/04/81/02/181048102.db2.gz ZVPBXUXDAVCAIE-UHFFFAOYSA-N 0 0 224.263 2.014 10 30 BEEERN N#CCc1ccc(NC[C@@H]2CCOC2)cc1 ZINC000037071497 181048334 /nfs/dbraw/zinc/04/83/34/181048334.db2.gz STCIVSPZTJOLNE-LBPRGKRZSA-N 0 0 216.284 2.201 10 30 BEEERN N#C[C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000034428948 181063899 /nfs/dbraw/zinc/06/38/99/181063899.db2.gz JYAWJCHHTOMLCK-AWEZNQCLSA-N 0 0 242.322 2.381 10 30 BEEERN N#C[C@H](NC1CCCCCC1)[C@H]1CCOC1 ZINC000037970104 181065766 /nfs/dbraw/zinc/06/57/66/181065766.db2.gz WNXCICUCHYDHCW-AAEUAGOBSA-N 0 0 222.332 2.227 10 30 BEEERN N#C[C@H](NC[C@H]1CCCO1)c1ccccc1 ZINC000037855322 181066092 /nfs/dbraw/zinc/06/60/92/181066092.db2.gz PIIVHEIULAKQJI-OLZOCXBDSA-N 0 0 216.284 2.020 10 30 BEEERN N#C[C@H](NCC(F)(F)F)[C@H]1CC=CCC1 ZINC000037971119 181066209 /nfs/dbraw/zinc/06/62/09/181066209.db2.gz KMLOPAKZSMOKLW-IUCAKERBSA-N 0 0 218.222 2.387 10 30 BEEERN N#C[C@H](NC[C@H]1CCCO1)c1cccc(F)c1 ZINC000037939849 181066216 /nfs/dbraw/zinc/06/62/16/181066216.db2.gz CSOJJQIEYLDIFX-OLZOCXBDSA-N 0 0 234.274 2.159 10 30 BEEERN N#C[C@H](NC[C@H]1CCCO1)c1ccccc1F ZINC000037940187 181066312 /nfs/dbraw/zinc/06/63/12/181066312.db2.gz ZWCDCHYJYFSLFK-MFKMUULPSA-N 0 0 234.274 2.159 10 30 BEEERN N#C[C@H](Nc1ccccc1)C1CCOCC1 ZINC000052178708 181066328 /nfs/dbraw/zinc/06/63/28/181066328.db2.gz MCHWSMSWJONKRR-ZDUSSCGKSA-N 0 0 216.284 2.417 10 30 BEEERN N#C[C@H](NCCO)c1csc2ccccc12 ZINC000054465087 181066340 /nfs/dbraw/zinc/06/63/40/181066340.db2.gz YDKPGMPFBFSSTH-NSHDSACASA-N 0 0 232.308 2.048 10 30 BEEERN N#C[C@@]1(Nc2ccccc2)CCSC1 ZINC000037935240 181062823 /nfs/dbraw/zinc/06/28/23/181062823.db2.gz DVMXVIDVLXRAJV-NSHDSACASA-N 0 0 204.298 2.498 10 30 BEEERN N#C[C@H](c1ccc(O)cc1)N1CCCC1 ZINC000037355507 181066857 /nfs/dbraw/zinc/06/68/57/181066857.db2.gz MKHDDQOWGNNSTD-GFCCVEGCSA-N 0 0 202.257 2.053 10 30 BEEERN N#C[C@H]1CCCC[C@H]1Sc1nccc(=O)[nH]1 ZINC000037156302 181068519 /nfs/dbraw/zinc/06/85/19/181068519.db2.gz DBYVYFFILJMRHZ-RKDXNWHRSA-N 0 0 235.312 2.357 10 30 BEEERN N#C[C@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC000057524707 181069160 /nfs/dbraw/zinc/06/91/60/181069160.db2.gz FUPVOLRYYZLJIF-LLVKDONJSA-N 0 0 234.686 2.468 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccccc1F ZINC000061889263 181070195 /nfs/dbraw/zinc/07/01/95/181070195.db2.gz YEOHRPXXXQYERA-BXKDBHETSA-N 0 0 232.258 2.248 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccccc1 ZINC000061888335 181070271 /nfs/dbraw/zinc/07/02/71/181070271.db2.gz AWVSUGIQUMUIQO-VXGBXAGGSA-N 0 0 214.268 2.109 10 30 BEEERN N#Cc1cc(=O)[nH]c2ccc(Br)cc12 ZINC000077256113 181081846 /nfs/dbraw/zinc/08/18/46/181081846.db2.gz AUGSRQBZYYZWFV-UHFFFAOYSA-N 0 0 249.067 2.162 10 30 BEEERN N#Cc1c(N)nc2c(c1-c1ccc[nH]1)CCC2 ZINC000034935106 181076892 /nfs/dbraw/zinc/07/68/92/181076892.db2.gz ASMSWKAUAXLHDU-UHFFFAOYSA-N 0 0 224.267 2.019 10 30 BEEERN N#Cc1c(N)nc2c(c1-c1cccnc1)CCC2 ZINC000035299468 181077437 /nfs/dbraw/zinc/07/74/37/181077437.db2.gz SZPHWMNXRHUKNZ-UHFFFAOYSA-N 0 0 236.278 2.086 10 30 BEEERN N#Cc1c(N)n[nH]c1-c1c[nH]c2ccccc12 ZINC000033847324 181077446 /nfs/dbraw/zinc/07/74/46/181077446.db2.gz LGZUVXUQOFFIEY-UHFFFAOYSA-N 0 0 223.239 2.012 10 30 BEEERN N#Cc1c(N)nc2c(c1-c1ccc[nH]1)CCCC2 ZINC000035299424 181077495 /nfs/dbraw/zinc/07/74/95/181077495.db2.gz PBELVSICICGDPD-UHFFFAOYSA-N 0 0 238.294 2.409 10 30 BEEERN N#Cc1cc(F)ccc1NC(=O)N1CC2(CC2)C1 ZINC000333505394 181087983 /nfs/dbraw/zinc/08/79/83/181087983.db2.gz KZJYJMCGMBDLGP-UHFFFAOYSA-N 0 0 245.257 2.325 10 30 BEEERN N#Cc1ccc(-c2cccc(C(N)=O)c2)cc1O ZINC000065341425 181094824 /nfs/dbraw/zinc/09/48/24/181094824.db2.gz UWXZNHDDBDAPNX-UHFFFAOYSA-N 0 0 238.246 2.030 10 30 BEEERN N#Cc1cc(N)ccc1NCc1nccs1 ZINC000041021262 181089010 /nfs/dbraw/zinc/08/90/10/181089010.db2.gz JSZPLAHLSGFBOL-UHFFFAOYSA-N 0 0 230.296 2.209 10 30 BEEERN N#Cc1cc(N)ccc1NC(=O)C1CCCC1 ZINC000036737840 181089552 /nfs/dbraw/zinc/08/95/52/181089552.db2.gz MJTCSGSHUHWRMB-UHFFFAOYSA-N 0 0 229.283 2.269 10 30 BEEERN N#Cc1cc(N)cnc1NCCc1cccs1 ZINC000037758904 181089558 /nfs/dbraw/zinc/08/95/58/181089558.db2.gz MJLMHFDOMOISGR-UHFFFAOYSA-N 0 0 244.323 2.252 10 30 BEEERN N#Cc1cc(N)cnc1Oc1ccc(F)cc1 ZINC000037759264 181090373 /nfs/dbraw/zinc/09/03/73/181090373.db2.gz UHVJIOZTRDUDDQ-UHFFFAOYSA-N 0 0 229.214 2.467 10 30 BEEERN N#Cc1cc(Oc2ccccc2N)ccn1 ZINC000061812355 181092429 /nfs/dbraw/zinc/09/24/29/181092429.db2.gz JUNYBTGIODEUKQ-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1ccc(C(=O)Nc2cccc(N)c2)cc1 ZINC000022173887 181101553 /nfs/dbraw/zinc/10/15/53/181101553.db2.gz NMBJMWTZDBSSOU-UHFFFAOYSA-N 0 0 237.262 2.393 10 30 BEEERN N#Cc1ccc(C(=O)Nc2ccccc2)cn1 ZINC000114995355 181101572 /nfs/dbraw/zinc/10/15/72/181101572.db2.gz MHPDHMGHICSHPJ-UHFFFAOYSA-N 0 0 223.235 2.206 10 30 BEEERN N#Cc1ccc(CNCC(F)(F)C(F)F)o1 ZINC000191766263 181107214 /nfs/dbraw/zinc/10/72/14/181107214.db2.gz SQMJRDRPQUGAGV-UHFFFAOYSA-N 0 0 236.168 2.141 10 30 BEEERN N#Cc1ccc(NCC2CCC2)c(N)c1 ZINC000035674707 181120002 /nfs/dbraw/zinc/12/00/02/181120002.db2.gz NWHFGECEQHBCPB-UHFFFAOYSA-N 0 0 201.273 2.352 10 30 BEEERN N#Cc1ccc(NCCCC(=O)NC2CC2)cc1 ZINC000107826307 181120080 /nfs/dbraw/zinc/12/00/80/181120080.db2.gz RPEHZAXCFMDWPL-UHFFFAOYSA-N 0 0 243.310 2.029 10 30 BEEERN N#Cc1ccc(NCCc2ccncc2)c(N)c1 ZINC000048261117 181121055 /nfs/dbraw/zinc/12/10/55/181121055.db2.gz NHSASYUQHDVDCT-UHFFFAOYSA-N 0 0 238.294 2.190 10 30 BEEERN N#Cc1ccc(F)c(OC(F)F)c1F ZINC000047203238 181114599 /nfs/dbraw/zinc/11/45/99/181114599.db2.gz ZVXXJBKFAAODGB-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN N#Cc1ccc(NC(=O)c2cccc(N)c2)cc1 ZINC000020193298 181119146 /nfs/dbraw/zinc/11/91/46/181119146.db2.gz PWFSVNMSAFBTOB-UHFFFAOYSA-N 0 0 237.262 2.393 10 30 BEEERN N#Cc1ccc(NC[C@@H]2[C@H]3COC[C@H]32)c(F)c1 ZINC000376183621 181123376 /nfs/dbraw/zinc/12/33/76/181123376.db2.gz ARZWPBZBONZAIK-RTCCRHLQSA-N 0 0 232.258 2.002 10 30 BEEERN N#Cc1cccc(-c2cncc(O)c2)c1F ZINC000065339119 181133791 /nfs/dbraw/zinc/13/37/91/181133791.db2.gz NXSXHYXZVJSLPK-UHFFFAOYSA-N 0 0 214.199 2.465 10 30 BEEERN N#Cc1cccc(N[C@@H]2CCCC[C@@H]2O)c1 ZINC000037691219 181142083 /nfs/dbraw/zinc/14/20/83/181142083.db2.gz LCHNZTGEKOYTGE-OLZOCXBDSA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1cccc(OCC(=O)c2ccco2)c1 ZINC000047820774 181142634 /nfs/dbraw/zinc/14/26/34/181142634.db2.gz CBLLDELBRJMJQU-UHFFFAOYSA-N 0 0 227.219 2.413 10 30 BEEERN N#Cc1ccccc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000377952808 181145592 /nfs/dbraw/zinc/14/55/92/181145592.db2.gz OYIHFFAGHZDJIC-CYBMUJFWSA-N 0 0 244.338 2.153 10 30 BEEERN C#CCOc1cc(Br)ccc1C#N ZINC000165997863 354627887 /nfs/dbraw/zinc/62/78/87/354627887.db2.gz FOZWEAJJBXHGEJ-UHFFFAOYSA-N 0 0 236.068 2.333 10 30 BEEERN C=CC(C)(C)C(=O)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000335097949 354638355 /nfs/dbraw/zinc/63/83/55/354638355.db2.gz DWUGQMNLBJAQLO-VXGBXAGGSA-N 0 0 249.354 2.226 10 30 BEEERN N#Cc1ccccc1Oc1cc(N)ccn1 ZINC000043572007 181150016 /nfs/dbraw/zinc/15/00/16/181150016.db2.gz DRMCBESKPUXYOT-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1ccccc1Oc1nccnc1C#N ZINC000054379641 181150032 /nfs/dbraw/zinc/15/00/32/181150032.db2.gz MGSZHESEUPVYSN-UHFFFAOYSA-N 0 0 222.207 2.012 10 30 BEEERN N#Cc1ccccc1OCc1cccnc1C#N ZINC000061659147 181150137 /nfs/dbraw/zinc/15/01/37/181150137.db2.gz XCFYAOVEGFCKAX-UHFFFAOYSA-N 0 0 235.246 2.404 10 30 BEEERN N#Cc1ccnc(Oc2ccc(F)cc2N)c1 ZINC000052065252 181158055 /nfs/dbraw/zinc/15/80/55/181158055.db2.gz SQOGHEAVVINBIS-UHFFFAOYSA-N 0 0 229.214 2.467 10 30 BEEERN N#Cc1ccncc1NCc1ccc(O)cc1 ZINC000083353870 181160520 /nfs/dbraw/zinc/16/05/20/181160520.db2.gz VMRLPMYWCLJMDW-UHFFFAOYSA-N 0 0 225.251 2.271 10 30 BEEERN C[C@@H]1OC[C@](C#N)(NCc2ccccc2)[C@@H]1C ZINC000405726569 354965670 /nfs/dbraw/zinc/96/56/70/354965670.db2.gz VZNUOSYSGXIZQG-DYEKYZERSA-N 0 0 230.311 2.093 10 30 BEEERN C[C@@H]1OC[C@@](C#N)(NCc2ccccc2)[C@@H]1C ZINC000405726572 354966143 /nfs/dbraw/zinc/96/61/43/354966143.db2.gz VZNUOSYSGXIZQG-MBNYWOFBSA-N 0 0 230.311 2.093 10 30 BEEERN N#Cc1ncccc1CSc1cnccn1 ZINC000104349374 181170814 /nfs/dbraw/zinc/17/08/14/181170814.db2.gz YABDQRGJBGFOKI-UHFFFAOYSA-N 0 0 228.280 2.036 10 30 BEEERN N#Cc1sc(-c2ccncc2)cc1N ZINC000044273280 181177295 /nfs/dbraw/zinc/17/72/95/181177295.db2.gz IGHYTOIBHMQIHP-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N/C(=N\O)c1ccnc(Oc2ccc(F)cc2)c1 ZINC000019422487 181181810 /nfs/dbraw/zinc/18/18/10/181181810.db2.gz WRSKIVZLTNHLTG-UHFFFAOYSA-N 0 0 247.229 2.108 10 30 BEEERN N/C(CCCOc1ccc(Cl)cc1)=N\O ZINC000019517802 181182574 /nfs/dbraw/zinc/18/25/74/181182574.db2.gz PFVLNVDQOBDKPK-UHFFFAOYSA-N 0 0 228.679 2.245 10 30 BEEERN CCCNc1nc(Cl)c(C#N)s1 ZINC000233197360 355644993 /nfs/dbraw/zinc/64/49/93/355644993.db2.gz HEFCTUSYVCDCCV-UHFFFAOYSA-N 0 0 201.682 2.490 10 30 BEEERN CC(C)(C)CC(=O)NC1(C#N)CCCC1 ZINC000040215067 355709004 /nfs/dbraw/zinc/70/90/04/355709004.db2.gz KWMCRVCQSYALNE-UHFFFAOYSA-N 0 0 208.305 2.375 10 30 BEEERN C=CCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109079951 355849118 /nfs/dbraw/zinc/84/91/18/355849118.db2.gz FJLHBDWTHWUIBK-NXEZZACHSA-N 0 0 237.249 2.371 10 30 BEEERN Cc1noc(C)c1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000329931638 356145961 /nfs/dbraw/zinc/14/59/61/356145961.db2.gz PCFOGSSZWDNOJK-UWVGGRQHSA-N 0 0 235.287 2.321 10 30 BEEERN C[C@@H]1SCCS[C@H]1C(=O)C1=CCCO1 ZINC000168108018 356493309 /nfs/dbraw/zinc/49/33/09/356493309.db2.gz OCBOIEZOLZETLK-OIBJUYFYSA-N 0 0 230.354 2.097 10 30 BEEERN C[Si](C)(C)C#Cc1cccnc1C=O ZINC000196911468 538470513 /nfs/dbraw/zinc/47/05/13/538470513.db2.gz FOOUHPYHXCKPQB-UHFFFAOYSA-N 0 0 203.317 2.123 10 30 BEEERN CCC[C@H](C#N)NC(=O)Cc1ccccc1 ZINC000040352795 356652109 /nfs/dbraw/zinc/65/21/09/356652109.db2.gz CZUIVQVAMUDCCZ-GFCCVEGCSA-N 0 0 216.284 2.038 10 30 BEEERN Cc1c(Br)ccc2ncc(C#N)n21 ZINC000675072550 538503057 /nfs/dbraw/zinc/50/30/57/538503057.db2.gz FFHRLKQMEPBAHU-UHFFFAOYSA-N 0 0 236.072 2.277 10 30 BEEERN CC(C)(C#N)CCCn1cc(Cl)c(N)n1 ZINC000083641192 538515441 /nfs/dbraw/zinc/51/54/41/538515441.db2.gz LITUZEJFJXQWNG-UHFFFAOYSA-N 0 0 226.711 2.449 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1ccc([N+](=O)[O-])cc1 ZINC000675078460 538516856 /nfs/dbraw/zinc/51/68/56/538516856.db2.gz PXZIQSPOHKVPIE-UHFFFAOYSA-N 0 0 247.250 2.288 10 30 BEEERN CCOC(=O)[C@@H]1O[C@@]1(C)CCC(C)C ZINC000084324585 538530512 /nfs/dbraw/zinc/53/05/12/538530512.db2.gz DPNRKFSCXPAGDB-ONGXEEELSA-N 0 0 200.278 2.143 10 30 BEEERN CCOC(=O)[C@@H]1O[C@]12CCC[C@@H](CC)C2 ZINC000084324864 538532394 /nfs/dbraw/zinc/53/23/94/538532394.db2.gz XANGDHGFAHSFPT-SCVCMEIPSA-N 0 0 212.289 2.287 10 30 BEEERN CCOC(=O)[C@@H]1O[C@@]12CCC[C@@H](CC)C2 ZINC000084324860 538532716 /nfs/dbraw/zinc/53/27/16/538532716.db2.gz XANGDHGFAHSFPT-JFGNBEQYSA-N 0 0 212.289 2.287 10 30 BEEERN COC(=O)[C@@]1(C(C)C)O[C@@]1(C)CC(C)C ZINC000086182677 538551330 /nfs/dbraw/zinc/55/13/30/538551330.db2.gz ABDZCMMYFTYHAQ-NWDGAFQWSA-N 0 0 214.305 2.389 10 30 BEEERN CCC[C@]1(C)O[C@@]1(C(=O)OC)C(C)C ZINC000086182694 538552038 /nfs/dbraw/zinc/55/20/38/538552038.db2.gz MYXGWZSCTJUOGE-WDEREUQCSA-N 0 0 200.278 2.143 10 30 BEEERN COC(=O)[C@@H]1OC12CCC(C(F)(F)F)CC2 ZINC000084324101 538530334 /nfs/dbraw/zinc/53/03/34/538530334.db2.gz CCVGJKRBJPRGQN-CRMOQAEOSA-N 0 0 238.205 2.050 10 30 BEEERN CCO/C=C1/COc2ccccc2C1=O ZINC000130922660 538594789 /nfs/dbraw/zinc/59/47/89/538594789.db2.gz ZBCRMLVIEJIQEK-CLFYSBASSA-N 0 0 204.225 2.182 10 30 BEEERN CCc1nn([C@H](C#N)CC)c(CC)c1N ZINC000132667510 538600810 /nfs/dbraw/zinc/60/08/10/538600810.db2.gz DIHGMLHMAYWWOZ-QMMMGPOBSA-N 0 0 206.293 2.065 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(CC#N)cc2)O1 ZINC000124032548 358512471 /nfs/dbraw/zinc/51/24/71/358512471.db2.gz OYIRAZJZLCHPHP-ZWNOBZJWSA-N 0 0 244.294 2.259 10 30 BEEERN CCOC(=O)C#Cc1cc(F)c(F)c(F)c1 ZINC000095632749 538609784 /nfs/dbraw/zinc/60/97/84/538609784.db2.gz RHPHKQVMIJGDQH-UHFFFAOYSA-N 0 0 228.169 2.019 10 30 BEEERN N#Cc1ccc(SC2CCOCC2)cn1 ZINC000129821077 356973443 /nfs/dbraw/zinc/97/34/43/356973443.db2.gz GTNQCBQBDBACDA-UHFFFAOYSA-N 0 0 220.297 2.224 10 30 BEEERN C[Si](C)(C)C#Cc1ccc(C#N)nc1 ZINC000223922824 357158803 /nfs/dbraw/zinc/15/88/03/357158803.db2.gz DXJAFMADFPEPES-UHFFFAOYSA-N 0 0 200.317 2.182 10 30 BEEERN C#CC(=O)c1cc(OC)ccc1Br ZINC000160710943 357187046 /nfs/dbraw/zinc/18/70/46/357187046.db2.gz MMRDXOIJQXRQEF-UHFFFAOYSA-N 0 0 239.068 2.274 10 30 BEEERN N#Cc1cc(F)ccc1N[C@@H]1CCC[C@H](O)C1 ZINC000610273785 357406778 /nfs/dbraw/zinc/40/67/78/357406778.db2.gz JDFITUDRDPTEPM-NEPJUHHUSA-N 0 0 234.274 2.413 10 30 BEEERN CC(C)(C)OC(=O)C#CC(F)(F)C(F)F ZINC000685952852 538894830 /nfs/dbraw/zinc/89/48/30/538894830.db2.gz FIGLCNLPQKQDRT-UHFFFAOYSA-N 0 0 226.169 2.232 10 30 BEEERN NC(=O)c1ccc(/N=C/c2cccc(O)c2)cc1 ZINC000003183511 181293279 /nfs/dbraw/zinc/29/32/79/181293279.db2.gz CCHUEXGOOGTQKE-CXUHLZMHSA-N 0 0 240.262 2.242 10 30 BEEERN N#CCN1CC2(CCOCC2)c2ccccc21 ZINC000192290254 357827886 /nfs/dbraw/zinc/82/78/86/357827886.db2.gz SDMXSFYXFYSPOT-UHFFFAOYSA-N 0 0 228.295 2.078 10 30 BEEERN Cc1c(/C=C\C(=O)c2cccc(O)c2)cnn1C ZINC000035678059 358098967 /nfs/dbraw/zinc/09/89/67/358098967.db2.gz VPZQHHCBRPPQHB-SREVYHEPSA-N 0 0 242.278 2.330 10 30 BEEERN Cc1c(N)c(C)c(CC#N)c(C)c1CC#N ZINC000039186362 358219871 /nfs/dbraw/zinc/21/98/71/358219871.db2.gz ZAVGBMQEUQSHMY-UHFFFAOYSA-N 0 0 213.284 2.326 10 30 BEEERN CC(C)c1cc(C(F)(F)F)c(C#N)c(=O)[nH]1 ZINC000223387857 358224202 /nfs/dbraw/zinc/22/42/02/358224202.db2.gz HGAQDZWINNXDHQ-UHFFFAOYSA-N 0 0 230.189 2.389 10 30 BEEERN O=C1C=C([C@H]2CCCOC2)c2ccccc2C1=O ZINC000584614598 358279378 /nfs/dbraw/zinc/27/93/78/358279378.db2.gz RXKDFAALDFKMKY-JTQLQIEISA-N 0 0 242.274 2.262 10 30 BEEERN C=CCc1cc(OC)c(OC)c(C(=O)OC)c1 ZINC000584597694 358255347 /nfs/dbraw/zinc/25/53/47/358255347.db2.gz ZSRWIQSPUGPWNC-UHFFFAOYSA-N 0 0 236.267 2.219 10 30 BEEERN N#Cc1nc2c(nc1N)CCCCCCCC2 ZINC000584600378 358257143 /nfs/dbraw/zinc/25/71/43/358257143.db2.gz JPIIGEAZTUHZLF-UHFFFAOYSA-N 0 0 230.315 2.200 10 30 BEEERN COC(=O)[C@@H]1CCCC[C@H]1C#CBr ZINC000584600710 358257804 /nfs/dbraw/zinc/25/78/04/358257804.db2.gz XLDWGKKRSPRKLJ-DTWKUNHWSA-N 0 0 245.116 2.322 10 30 BEEERN N#CC(C#N)Sc1ccc([N+](=O)[O-])cc1 ZINC000584602574 358260759 /nfs/dbraw/zinc/26/07/59/358260759.db2.gz NKLGBMFIQFCSOD-UHFFFAOYSA-N 0 0 219.225 2.103 10 30 BEEERN C#C[C@](CCC)(OC(C)=O)C1(C#N)CC1 ZINC000584603161 358261174 /nfs/dbraw/zinc/26/11/74/358261174.db2.gz LJBADKQRDBMVAZ-GFCCVEGCSA-N 0 0 205.257 2.025 10 30 BEEERN C#C[C@](OC)(c1ccccc1)C1(C#N)CC1 ZINC000584603474 358262054 /nfs/dbraw/zinc/26/20/54/358262054.db2.gz YFUGSBMCDKUWOD-AWEZNQCLSA-N 0 0 211.264 2.465 10 30 BEEERN CCOC(=O)/C=C/ON=C1CCCCC1 ZINC000584603772 358262278 /nfs/dbraw/zinc/26/22/78/358262278.db2.gz RPDKTYRNMOHYER-CMDGGOBGSA-N 0 0 211.261 2.400 10 30 BEEERN COC(=O)OC1(C#CC=O)CCCCCC1 ZINC000584606207 358265117 /nfs/dbraw/zinc/26/51/17/358265117.db2.gz AEAYSGJJEMDLSC-UHFFFAOYSA-N 0 0 224.256 2.065 10 30 BEEERN C=CC(F)(F)[C@@H](O)c1ccc(C(=O)OC)cc1 ZINC000584606606 358266012 /nfs/dbraw/zinc/26/60/12/358266012.db2.gz LTBGJKZTVDQCGL-JTQLQIEISA-N 0 0 242.221 2.328 10 30 BEEERN C=C(C(=O)OC)[C@H](F)c1cccc(OC)c1 ZINC000584606813 358266436 /nfs/dbraw/zinc/26/64/36/358266436.db2.gz XTWPLPVNUXIZEA-NSHDSACASA-N 0 0 224.231 2.435 10 30 BEEERN C=CC[C@H]1C(Cl)=CCC(=O)N1CC=C ZINC000584607598 358268172 /nfs/dbraw/zinc/26/81/72/358268172.db2.gz RSDOXVXWOUZWJD-JTQLQIEISA-N 0 0 211.692 2.472 10 30 BEEERN C[C@@H](C=O)[C@H](C[N+](=O)[O-])c1cccc(F)c1 ZINC000584608742 358269141 /nfs/dbraw/zinc/26/91/41/358269141.db2.gz WIDBJOOENFPMNP-KWQFWETISA-N 0 0 225.219 2.021 10 30 BEEERN CC(=O)OCc1nc(Cl)cc(Cl)c1C#N ZINC000584609055 358269973 /nfs/dbraw/zinc/26/99/73/358269973.db2.gz HAKAJTSSYJMJMR-UHFFFAOYSA-N 0 0 245.065 2.323 10 30 BEEERN COc1ccc(/C=C(\C)OS(C)(=O)=O)cc1 ZINC000584609709 358271043 /nfs/dbraw/zinc/27/10/43/358271043.db2.gz XDTVNWANOWSJPC-CMDGGOBGSA-N 0 0 242.296 2.032 10 30 BEEERN CO/N=C(\C)c1c(C)cccc1[N+](=O)[O-] ZINC000584609756 358271720 /nfs/dbraw/zinc/27/17/20/358271720.db2.gz ZQHCWEQVXYIZCQ-DHZHZOJOSA-N 0 0 208.217 2.274 10 30 BEEERN CCOC(=O)[C@]1(C)CCCC/C1=N\OC ZINC000584609991 358272584 /nfs/dbraw/zinc/27/25/84/358272584.db2.gz HFNOXCPPBOOPOJ-LWMMSDEHSA-N 0 0 213.277 2.132 10 30 BEEERN N#CCn1cc(NCc2ccc(F)cc2)cn1 ZINC000584619020 358285655 /nfs/dbraw/zinc/28/56/55/358285655.db2.gz AHFAQTBNKLFXCA-UHFFFAOYSA-N 0 0 230.246 2.158 10 30 BEEERN C=CC[C@H](C)[C@@H](CCCC)S(N)(=O)=O ZINC000584620315 358287233 /nfs/dbraw/zinc/28/72/33/358287233.db2.gz GIBPHHIZTXNONB-VHSXEESVSA-N 0 0 219.350 2.046 10 30 BEEERN CC/C(=N/O)N1CCN(c2ccccc2)CC1 ZINC000584621161 358288636 /nfs/dbraw/zinc/28/86/36/358288636.db2.gz HRVGONWPNDTWPS-YPKPFQOOSA-N 0 0 233.315 2.006 10 30 BEEERN COCc1ccc2c(c1)CC[C@H](/C=N/O)C2 ZINC000584626360 358295743 /nfs/dbraw/zinc/29/57/43/358295743.db2.gz YQJVSVDMAIVULF-CEITULEQSA-N 0 0 219.284 2.398 10 30 BEEERN C#CCOc1cc(F)c(CC(C)=O)c(F)c1 ZINC000584627942 358297217 /nfs/dbraw/zinc/29/72/17/358297217.db2.gz XIYZXRFIDSDFLA-UHFFFAOYSA-N 0 0 224.206 2.108 10 30 BEEERN CC(C)Nc1nc(Cl)c(C#N)nc1Cl ZINC000584628252 358297226 /nfs/dbraw/zinc/29/72/26/358297226.db2.gz HMZUTBYVNPAFPX-UHFFFAOYSA-N 0 0 231.086 2.475 10 30 BEEERN O/N=C(\Cl)c1ccc(OCC(F)F)cn1 ZINC000584628355 358298123 /nfs/dbraw/zinc/29/81/23/358298123.db2.gz BTHZSDRMRPNVSL-JYRVWZFOSA-N 0 0 236.605 2.100 10 30 BEEERN C[C@@H](C#N)N(C)C(=O)N(C)c1cccc(F)c1 ZINC000584630039 358299514 /nfs/dbraw/zinc/29/95/14/358299514.db2.gz GKIFVKGMXBHLFG-VIFPVBQESA-N 0 0 235.262 2.226 10 30 BEEERN CN(CC=O)C(=O)/C=C/c1ccccc1Cl ZINC000584630525 358300534 /nfs/dbraw/zinc/30/05/34/358300534.db2.gz NHARNWVZCAKNQZ-VOTSOKGWSA-N 0 0 237.686 2.011 10 30 BEEERN C=C(C)C(=O)N(C)c1ccc(OC)cc1 ZINC000584650415 358305110 /nfs/dbraw/zinc/30/51/10/358305110.db2.gz LDRJWLRDWXQEBW-UHFFFAOYSA-N 0 0 205.257 2.234 10 30 BEEERN CO[C@]12[C@@H]3[C@@H]4CCC[C@@H]4[C@H]1C=C[C@@]32C#N ZINC000584653943 358308370 /nfs/dbraw/zinc/30/83/70/358308370.db2.gz WZEXWGUFNWDCBG-TXWLSFLZSA-N 0 0 201.269 2.127 10 30 BEEERN CC(C)=NOC[C@H](O)c1ccccc1C ZINC000584658175 358310136 /nfs/dbraw/zinc/31/01/36/358310136.db2.gz OEDDQYCIMJYAHI-LBPRGKRZSA-N 0 0 207.273 2.441 10 30 BEEERN C=CCn1cc([S@@](=O)c2ccccc2)cn1 ZINC000584616667 358281562 /nfs/dbraw/zinc/28/15/62/358281562.db2.gz RKFOABAJZVTQMK-INIZCTEOSA-N 0 0 232.308 2.236 10 30 BEEERN CC(C)(C#N)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000584632405 358314740 /nfs/dbraw/zinc/31/47/40/358314740.db2.gz DHDJXUXXUQLESL-SNVBAGLBSA-N 0 0 220.228 2.178 10 30 BEEERN N#Cc1cnc(N)cc1OCc1cccs1 ZINC000584632650 358315493 /nfs/dbraw/zinc/31/54/93/358315493.db2.gz IRNCGUREVNNMME-UHFFFAOYSA-N 0 0 231.280 2.006 10 30 BEEERN C=CCOCc1cnc(Cl)nc1Cl ZINC000584637231 358322263 /nfs/dbraw/zinc/32/22/63/358322263.db2.gz MTKOGPNHRMYRLB-UHFFFAOYSA-N 0 0 219.071 2.486 10 30 BEEERN Cc1c[nH]c(=O)c2cc(F)c(C#N)cc12 ZINC000584639780 358325498 /nfs/dbraw/zinc/32/54/98/358325498.db2.gz OIOXJQHAPRRJEH-UHFFFAOYSA-N 0 0 202.188 2.260 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1cccs1 ZINC000584642730 358327709 /nfs/dbraw/zinc/32/77/09/358327709.db2.gz RVSVUIQEHDDCKZ-UHFFFAOYSA-N 0 0 208.282 2.441 10 30 BEEERN CCOP(=O)(C#CC(F)F)OCC ZINC000231454379 358419633 /nfs/dbraw/zinc/41/96/33/358419633.db2.gz LKKHCKKLFYCYIH-UHFFFAOYSA-N 0 0 212.132 2.479 10 30 BEEERN Cc1ccc(CN(C)c2cc(C#N)ccn2)o1 ZINC000035700018 358582633 /nfs/dbraw/zinc/58/26/33/358582633.db2.gz OPBCZLFXFBVSQF-UHFFFAOYSA-N 0 0 227.267 2.491 10 30 BEEERN C[C@H](S)C(=O)N[C@H]1CCCCC[C@H]1C ZINC000300226030 358569496 /nfs/dbraw/zinc/56/94/96/358569496.db2.gz PJPNOAYAJVAWIB-UTLUCORTSA-N 0 0 215.362 2.390 10 30 BEEERN C=C[C@H](C)NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000128426689 358575369 /nfs/dbraw/zinc/57/53/69/358575369.db2.gz KFGZOSRHIQBZDI-GARJFASQSA-N 0 0 210.321 2.391 10 30 BEEERN Cc1cnccc1CN[C@H]1CCC[C@@H]1C#N ZINC000129769708 358595792 /nfs/dbraw/zinc/59/57/92/358595792.db2.gz PNEQWGHJVHLXMO-YPMHNXCESA-N 0 0 215.300 2.172 10 30 BEEERN Cc1ccncc1CN[C@H]1CCC[C@@H]1C#N ZINC000135459829 358839249 /nfs/dbraw/zinc/83/92/49/358839249.db2.gz DRPDFAMDYGSMKQ-YPMHNXCESA-N 0 0 215.300 2.172 10 30 BEEERN COc1cccc(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000054825535 358876121 /nfs/dbraw/zinc/87/61/21/358876121.db2.gz ZXOGPAQRPQXUDY-GXTWGEPZSA-N 0 0 230.311 2.477 10 30 BEEERN COc1cccc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000054825536 358876161 /nfs/dbraw/zinc/87/61/61/358876161.db2.gz ZXOGPAQRPQXUDY-JSGCOSHPSA-N 0 0 230.311 2.477 10 30 BEEERN N#Cc1ccnc(Br)c1OC(F)F ZINC000306163896 358972409 /nfs/dbraw/zinc/97/24/09/358972409.db2.gz AYWXHBAKAPLFDC-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN CC[C@H](C#N)NC(=O)c1cccc2ncccc21 ZINC000061415108 358934087 /nfs/dbraw/zinc/93/40/87/358934087.db2.gz CHOWEDOIBVYHBU-SNVBAGLBSA-N 0 0 239.278 2.267 10 30 BEEERN C#C[C@H](C)Nc1cc(Cl)nc(Cl)n1 ZINC000306194498 359023048 /nfs/dbraw/zinc/02/30/48/359023048.db2.gz WGHSEJXUVRTERM-YFKPBYRVSA-N 0 0 216.071 2.217 10 30 BEEERN CC#CCNc1cc(Cl)nc(Cl)n1 ZINC000306191640 359017901 /nfs/dbraw/zinc/01/79/01/359017901.db2.gz HRWUDZLSYNINMX-UHFFFAOYSA-N 0 0 216.071 2.219 10 30 BEEERN N#Cc1cnc(CC(F)(F)F)nc1Cl ZINC000306217508 359331120 /nfs/dbraw/zinc/33/11/20/359331120.db2.gz DCASAIFETZZBPE-UHFFFAOYSA-N 0 0 221.569 2.106 10 30 BEEERN C=C[C@H](C)Nc1nc(Cl)c(CO)s1 ZINC000306218753 359337363 /nfs/dbraw/zinc/33/73/63/359337363.db2.gz LZPMSGDTNQSXQV-YFKPBYRVSA-N 0 0 218.709 2.275 10 30 BEEERN C[C@H](S)C(=O)NCc1ccsc1Cl ZINC000306241851 359425387 /nfs/dbraw/zinc/42/53/87/359425387.db2.gz SDSMESZFVZGAMZ-YFKPBYRVSA-N 0 0 235.761 2.336 10 30 BEEERN N#Cc1cc(OC(F)F)cnc1Br ZINC000306236333 359394804 /nfs/dbraw/zinc/39/48/04/359394804.db2.gz KTXAZOJYBRJGIZ-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN Cc1cc(C#N)cc(N2CCO[C@H]3CCC[C@@H]32)n1 ZINC000161023562 359760561 /nfs/dbraw/zinc/76/05/61/359760561.db2.gz ZQWFIXZUQXCCIF-STQMWFEESA-N 0 0 243.310 2.019 10 30 BEEERN Cc1cnnc([C@@]2(C#N)CCCS2)c1 ZINC000306433864 359928503 /nfs/dbraw/zinc/92/85/03/359928503.db2.gz YEBNYGWICBLJHB-JTQLQIEISA-N 0 0 205.286 2.031 10 30 BEEERN O=C[C@@H]1CC[C@@H](c2c(F)cccc2F)O1 ZINC000306445835 360008905 /nfs/dbraw/zinc/00/89/05/360008905.db2.gz TVHLUUGSEHTPBZ-XVKPBYJWSA-N 0 0 212.195 2.384 10 30 BEEERN CCOC(=O)CC[C@@H](C)Nc1ccc(C#N)nc1 ZINC000089652115 360032593 /nfs/dbraw/zinc/03/25/93/360032593.db2.gz OBOHQJHNVKSFNY-SNVBAGLBSA-N 0 0 247.298 2.097 10 30 BEEERN C[C@H](C#N)OC(=O)c1coc(Br)c1 ZINC000306482000 360146164 /nfs/dbraw/zinc/14/61/64/360146164.db2.gz KKUTVYGPAGCDGP-RXMQYKEDSA-N 0 0 244.044 2.111 10 30 BEEERN O=C(C#Cc1ccccc1)C(F)(F)Cl ZINC000306478445 360125739 /nfs/dbraw/zinc/12/57/39/360125739.db2.gz HHYRUXKYNZYJMN-UHFFFAOYSA-N 0 0 214.598 2.439 10 30 BEEERN Cc1cscc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000094239596 360300800 /nfs/dbraw/zinc/30/08/00/360300800.db2.gz PIVYHBSPXHYSRL-GXSJLCMTSA-N 0 0 234.324 2.479 10 30 BEEERN Cc1cscc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000094239597 360301282 /nfs/dbraw/zinc/30/12/82/360301282.db2.gz PIVYHBSPXHYSRL-ONGXEEELSA-N 0 0 234.324 2.479 10 30 BEEERN C[C@@]1(C=O)CC[C@@H](Cc2ccccc2)O1 ZINC000306519835 360344563 /nfs/dbraw/zinc/34/45/63/360344563.db2.gz JIZDPBSACPKUMZ-STQMWFEESA-N 0 0 204.269 2.366 10 30 BEEERN C=CCc1noc(C(C)(Cl)Cl)n1 ZINC000306521443 360359521 /nfs/dbraw/zinc/35/95/21/360359521.db2.gz FXAGPNCMSPBMAQ-UHFFFAOYSA-N 0 0 207.060 2.448 10 30 BEEERN CCC[C@@H](OC)[C@@H](C#N)NCc1ccccc1 ZINC000306561027 360437958 /nfs/dbraw/zinc/43/79/58/360437958.db2.gz SLNJACDHOGUXJV-ZIAGYGMSSA-N 0 0 232.327 2.483 10 30 BEEERN Cc1nnc([C@]2(C#N)CCCS2)s1 ZINC000306543090 360411609 /nfs/dbraw/zinc/41/16/09/360411609.db2.gz ZTIWMDQATZPMEK-MRVPVSSYSA-N 0 0 211.315 2.092 10 30 BEEERN CC(=O)/C(C)=C/c1c(Br)cnn1C ZINC000306560370 360435099 /nfs/dbraw/zinc/43/50/99/360435099.db2.gz RKYBTYDTGJIRHO-GQCTYLIASA-N 0 0 243.104 2.175 10 30 BEEERN C[C@H](C#N)Nc1cncc(Br)c1 ZINC000300750832 360454375 /nfs/dbraw/zinc/45/43/75/360454375.db2.gz GQVSECHSLMAFRR-ZCFIWIBFSA-N 0 0 226.077 2.168 10 30 BEEERN CC(=O)/C=C/C1=C(C)[C@@H]2CC[C@H](C)[C@H]2[C@H](O)O1 ZINC000033985319 360454782 /nfs/dbraw/zinc/45/47/82/360454782.db2.gz SSFLZIBVARYADM-DIMPHNJXSA-N 0 0 236.311 2.417 10 30 BEEERN C[C@@H]1CCCC[C@@]1(C#N)CC[S@](C)=O ZINC000306572659 360460912 /nfs/dbraw/zinc/46/09/12/360460912.db2.gz HRIVGHMRMQKNNF-SUNKGSAMSA-N 0 0 213.346 2.475 10 30 BEEERN CC(C)(C)[S@@](=O)/N=C\C(F)(F)F ZINC000067794617 219808796 /nfs/dbraw/zinc/80/87/96/219808796.db2.gz PLTNZADFUQGXSR-JOTVYFQTSA-N 0 0 201.213 2.082 10 30 BEEERN C[C@H]1C[C@]2(CO2)C[N@@H+]1Cc1ccccc1 ZINC000306598818 360518122 /nfs/dbraw/zinc/51/81/22/360518122.db2.gz YCVNBLNJZNUSFL-WCQYABFASA-N 0 0 203.285 2.050 10 30 BEEERN CCc1cc(C(=O)OC)cc(F)c1C#N ZINC000238314728 360860262 /nfs/dbraw/zinc/86/02/62/360860262.db2.gz GWVGSSAGQLVKST-UHFFFAOYSA-N 0 0 207.204 2.046 10 30 BEEERN Cc1cc(CC#N)c(OC(F)(F)F)cn1 ZINC000238469893 361087661 /nfs/dbraw/zinc/08/76/61/361087661.db2.gz CEXVJIBLAXNCQT-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN C[C@@H](C=O)Sc1nc2ccccc2[nH]1 ZINC000238475384 361098190 /nfs/dbraw/zinc/09/81/90/361098190.db2.gz BOPJVCJZVXRTLR-ZETCQYMHSA-N 0 0 206.270 2.242 10 30 BEEERN N#CCc1cncc(OC(F)(F)F)c1F ZINC000238556773 361149760 /nfs/dbraw/zinc/14/97/60/361149760.db2.gz WSOSTJWDWIFGAU-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#Cc1cccc([N+](=O)[O-])c1C(F)(F)F ZINC000238563277 361153406 /nfs/dbraw/zinc/15/34/06/361153406.db2.gz XRRRYAULYRGLJJ-UHFFFAOYSA-N 0 0 216.118 2.485 10 30 BEEERN O=C(/C=C/C=C/c1ccccc1)[C@H]1CO1 ZINC000238623790 361166910 /nfs/dbraw/zinc/16/69/10/361166910.db2.gz GPBIOHCEUUDVHZ-ZCJNTTDQSA-N 0 0 200.237 2.224 10 30 BEEERN N#Cc1cc(OC(F)(F)F)cc(CF)n1 ZINC000238691377 361180574 /nfs/dbraw/zinc/18/05/74/361180574.db2.gz HGWHIILOKYYBND-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1cnc(OC(F)(F)F)cc1CF ZINC000238691724 361180646 /nfs/dbraw/zinc/18/06/46/361180646.db2.gz CQIYOCLPBOXRTN-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN C#CCON[C@@H]1CCCc2sccc21 ZINC000306618585 361194107 /nfs/dbraw/zinc/19/41/07/361194107.db2.gz SKDVSDVRNIHNEJ-SNVBAGLBSA-N 0 0 207.298 2.280 10 30 BEEERN N#Cc1c(CO)snc1-c1ccccc1 ZINC000238704063 361364397 /nfs/dbraw/zinc/36/43/97/361364397.db2.gz ARHNSMXBHWFMLF-UHFFFAOYSA-N 0 0 216.265 2.174 10 30 BEEERN Cc1nsc(N[C@@H]2CCC[C@H]2C#N)c1C#N ZINC000381852545 361568021 /nfs/dbraw/zinc/56/80/21/361568021.db2.gz TYHAYFCUOPYVFN-WCBMZHEXSA-N 0 0 232.312 2.427 10 30 BEEERN Cc1nsc(N[C@H]2CCC[C@@H]2C#N)c1C#N ZINC000381852544 361568027 /nfs/dbraw/zinc/56/80/27/361568027.db2.gz TYHAYFCUOPYVFN-SCZZXKLOSA-N 0 0 232.312 2.427 10 30 BEEERN C[C@H](C#N)NCc1ccc(Cl)s1 ZINC000070600051 361582544 /nfs/dbraw/zinc/58/25/44/361582544.db2.gz PRPQCBVPRDUCFV-ZCFIWIBFSA-N 0 0 200.694 2.403 10 30 BEEERN C[C@@H](C#N)NCc1ccc(Cl)s1 ZINC000070600050 361583101 /nfs/dbraw/zinc/58/31/01/361583101.db2.gz PRPQCBVPRDUCFV-LURJTMIESA-N 0 0 200.694 2.403 10 30 BEEERN N#Cc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000435198407 201254591 /nfs/dbraw/zinc/25/45/91/201254591.db2.gz YHFUREAASMGSQR-DZGCQCFKSA-N 0 0 242.322 2.421 10 30 BEEERN N#Cc1cc(F)ccc1OCC(F)F ZINC000130628956 363846591 /nfs/dbraw/zinc/84/65/91/363846591.db2.gz QBRFZBGIVKFPSV-UHFFFAOYSA-N 0 0 201.147 2.341 10 30 BEEERN C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)C(C)(F)F ZINC000328337225 363882584 /nfs/dbraw/zinc/88/25/84/363882584.db2.gz JPQCHWBILMNOIS-IWSPIJDZSA-N 0 0 230.258 2.086 10 30 BEEERN CCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C=O ZINC000725269771 541339068 /nfs/dbraw/zinc/33/90/68/541339068.db2.gz QIASKDCOAFWBKE-GHMZBOCLSA-N 0 0 241.331 2.469 10 30 BEEERN CC(C)(C#N)NC(=O)c1ccc2cc[nH]c2c1 ZINC000075939746 364368726 /nfs/dbraw/zinc/36/87/26/364368726.db2.gz RVQSABGSPAVKDE-UHFFFAOYSA-N 0 0 227.267 2.200 10 30 BEEERN C=CCCCN(C)c1cccc(C#N)n1 ZINC000135477009 364442298 /nfs/dbraw/zinc/44/22/98/364442298.db2.gz GHVWNWVWWHPOSP-UHFFFAOYSA-N 0 0 201.273 2.356 10 30 BEEERN CC[C@@H](NC(=O)[C@](C)(C#N)CC)C(C)C ZINC000136207999 364466737 /nfs/dbraw/zinc/46/67/37/364466737.db2.gz XDAQHSUADZELLH-PWSUYJOCSA-N 0 0 210.321 2.477 10 30 BEEERN N#Cc1ccc(Nc2ncnc(Cl)n2)cc1 ZINC000038327588 364500513 /nfs/dbraw/zinc/50/05/13/364500513.db2.gz CHKFMKBFNPZSAN-UHFFFAOYSA-N 0 0 231.646 2.140 10 30 BEEERN C=C(Br)CNc1ccc(OC)nc1 ZINC000037680848 364517094 /nfs/dbraw/zinc/51/70/94/364517094.db2.gz HMXOUUSMFMPMNQ-UHFFFAOYSA-N 0 0 243.104 2.411 10 30 BEEERN CC[C@@H](C)Sc1ncc(N)cc1C#N ZINC000037759431 364587351 /nfs/dbraw/zinc/58/73/51/364587351.db2.gz OLYPBSCMRHFSKF-SSDOTTSWSA-N 0 0 207.302 2.426 10 30 BEEERN N#Cc1ccc2[nH]c(-c3ccncc3)cc2n1 ZINC000118557215 368344560 /nfs/dbraw/zinc/34/45/60/368344560.db2.gz VLVHBPDMSPAUOU-UHFFFAOYSA-N 0 0 220.235 2.497 10 30 BEEERN CCCCCCCn1cnc2c1nc[nH]c2=O ZINC000001599798 368656982 /nfs/dbraw/zinc/65/69/82/368656982.db2.gz VEZVQWJETXCOMP-UHFFFAOYSA-N 0 0 234.303 2.090 10 30 BEEERN CC(=O)N[C@@](C)(C#N)Cc1ccc(Cl)cc1 ZINC000584879936 368858447 /nfs/dbraw/zinc/85/84/47/368858447.db2.gz PGPINKHXPDJKMK-GFCCVEGCSA-N 0 0 236.702 2.301 10 30 BEEERN CC(C)(C#N)C(=O)NC/C=C/c1ccccc1 ZINC000112585408 368873363 /nfs/dbraw/zinc/87/33/63/368873363.db2.gz PTEKHSWVUDEKBQ-RMKNXTFCSA-N 0 0 228.295 2.366 10 30 BEEERN C=CCc1cccc(N)c1OCC#CC ZINC000113810728 368908721 /nfs/dbraw/zinc/90/87/21/368908721.db2.gz GYHIAXVQMYEUBZ-UHFFFAOYSA-N 0 0 201.269 2.399 10 30 BEEERN CC[C@@H]1CC(=O)C=CN1C(=O)OC(C)(C)C ZINC000114531377 368943725 /nfs/dbraw/zinc/94/37/25/368943725.db2.gz DNPQKIWLAROSNF-SECBINFHSA-N 0 0 225.288 2.489 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC000404322286 369426589 /nfs/dbraw/zinc/42/65/89/369426589.db2.gz RNVQQYVXBANFQL-GXSJLCMTSA-N 0 0 221.329 2.315 10 30 BEEERN Cc1cc(CN[C@H]2CCC[C@H]2C#N)sn1 ZINC000404479806 369430575 /nfs/dbraw/zinc/43/05/75/369430575.db2.gz DQRGQXOJBOXUSU-ONGXEEELSA-N 0 0 221.329 2.233 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCS1 ZINC000260007091 370964680 /nfs/dbraw/zinc/96/46/80/370964680.db2.gz VDJRWACAJLTMEA-AXFHLTTASA-N 0 0 238.356 2.081 10 30 BEEERN CC(C)c1[nH]nc(C(F)(F)F)c1C#N ZINC000409441692 369978270 /nfs/dbraw/zinc/97/82/70/369978270.db2.gz SPZBPHGTEDADDM-UHFFFAOYSA-N 0 0 203.167 2.424 10 30 BEEERN N#Cc1cn(CC2CC2)nc1C(F)(F)F ZINC000409436768 369976790 /nfs/dbraw/zinc/97/67/90/369976790.db2.gz AIMHJZKZCOOALX-UHFFFAOYSA-N 0 0 215.178 2.184 10 30 BEEERN N#Cc1cc(CC2CCCCC2)ncn1 ZINC000409436629 369976826 /nfs/dbraw/zinc/97/68/26/369976826.db2.gz OGQQAJGUCSJIDL-UHFFFAOYSA-N 0 0 201.273 2.471 10 30 BEEERN N#Cc1c(F)cccc1N[C@H]1CCC[C@H](O)C1 ZINC000603865740 369996655 /nfs/dbraw/zinc/99/66/55/369996655.db2.gz OFZTXCZHITXOKG-UWVGGRQHSA-N 0 0 234.274 2.413 10 30 BEEERN N/C(=N/O)C1(c2ccccc2)CCCC1 ZINC000062782375 370096328 /nfs/dbraw/zinc/09/63/28/370096328.db2.gz XDJNPBNBEKFUKH-UHFFFAOYSA-N 0 0 204.273 2.245 10 30 BEEERN C[C@]1(/[N+]([O-])=C/c2ccco2)CCCCC1=O ZINC000225397209 370517131 /nfs/dbraw/zinc/51/71/31/370517131.db2.gz HUDRFSVIHYRDSF-VWLVURMCSA-N 0 0 222.264 2.002 10 30 BEEERN CC(C)(C#N)c1cc(N)n(-c2ccccc2)n1 ZINC000115025694 370619062 /nfs/dbraw/zinc/61/90/62/370619062.db2.gz TWAYNTXSFMMZIG-UHFFFAOYSA-N 0 0 226.283 2.256 10 30 BEEERN Cc1nnc(CN[C@@H]2CCCC[C@H]2C#N)s1 ZINC000391957693 371353855 /nfs/dbraw/zinc/35/38/55/371353855.db2.gz JQDMPHYQGCWDFU-VHSXEESVSA-N 0 0 236.344 2.019 10 30 BEEERN Cc1cc(N2C[C@H](C)O[C@@H](C)C2)c(C#N)c(C)n1 ZINC000156534268 371441717 /nfs/dbraw/zinc/44/17/17/371441717.db2.gz SNLKUGSIKKPGCK-QWRGUYRKSA-N 0 0 245.326 2.184 10 30 BEEERN N#Cc1cc(Cl)nc(-n2cc(Cl)cn2)c1 ZINC000215557005 371579500 /nfs/dbraw/zinc/57/95/00/371579500.db2.gz WLGXSAATWJUQGR-UHFFFAOYSA-N 0 0 239.065 2.446 10 30 BEEERN Cc1cc(S[C@H](C)CO)ccc1C#N ZINC000162420819 371674832 /nfs/dbraw/zinc/67/48/32/371674832.db2.gz AVQRIVFVOWWJBU-SECBINFHSA-N 0 0 207.298 2.340 10 30 BEEERN O=C(CS)Nc1c(F)cc(F)cc1Cl ZINC000215767358 371626672 /nfs/dbraw/zinc/62/66/72/371626672.db2.gz GTXHIUVGRKGAJB-UHFFFAOYSA-N 0 0 237.658 2.487 10 30 BEEERN C#C[C@H](CC)Nc1cc(Br)ncn1 ZINC000230020350 371636633 /nfs/dbraw/zinc/63/66/33/371636633.db2.gz LSZYDBKASRRTMS-SSDOTTSWSA-N 0 0 240.104 2.063 10 30 BEEERN Cc1c(F)c(N)c(C#N)cc1Br ZINC000230030626 371638612 /nfs/dbraw/zinc/63/86/12/371638612.db2.gz RBJHUMBJBQGUJX-UHFFFAOYSA-N 0 0 229.052 2.351 10 30 BEEERN Cc1cc(Br)c(N)c(C#N)c1 ZINC000131838927 371693259 /nfs/dbraw/zinc/69/32/59/371693259.db2.gz RZTTVYOOEDVEEN-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN Cc1ccc(N)c(C#N)c1OCC(F)F ZINC000131853565 371696410 /nfs/dbraw/zinc/69/64/10/371696410.db2.gz VUWSRBXRYAVDMR-UHFFFAOYSA-N 0 0 212.199 2.093 10 30 BEEERN N#Cc1c(N)cccc1CC(F)(F)F ZINC000131870739 371699940 /nfs/dbraw/zinc/69/99/40/371699940.db2.gz CDSDCRZXWVRTIM-UHFFFAOYSA-N 0 0 200.163 2.245 10 30 BEEERN C#CCC(=O)c1cc(N)ccc1Br ZINC000226804220 371748005 /nfs/dbraw/zinc/74/80/05/371748005.db2.gz RHUZWOVUYCSBPF-UHFFFAOYSA-N 0 0 238.084 2.237 10 30 BEEERN N#CCc1cc(F)c(Br)cc1O ZINC000216658472 371787014 /nfs/dbraw/zinc/78/70/14/371787014.db2.gz BOGIUKCMBMAMKP-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN N#CCc1c(F)ccc(O)c1Br ZINC000216658657 371787948 /nfs/dbraw/zinc/78/79/48/371787948.db2.gz ICUNOLXYFYWCBO-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN Nc1nnc(SCC#Cc2ccccc2)s1 ZINC000051814525 181814726 /nfs/dbraw/zinc/81/47/26/181814726.db2.gz FMDCTHAVHRYIRZ-UHFFFAOYSA-N 0 0 247.348 2.264 10 30 BEEERN C=C(Br)CN1[C@H](C)CCC[C@H]1CO ZINC000305201410 371898104 /nfs/dbraw/zinc/89/81/04/371898104.db2.gz FMEJLWTZGGVPQF-ZJUUUORDSA-N 0 0 248.164 2.130 10 30 BEEERN N#C[C@@]1(c2ccccc2Cl)C[C@@H]1CO ZINC000132786945 371923390 /nfs/dbraw/zinc/92/33/90/371923390.db2.gz HHYHOHBDMRZURY-KCJUWKMLSA-N 0 0 207.660 2.114 10 30 BEEERN CC1(C)C[C@@H]1c1noc(-c2cc(C#N)c[nH]2)n1 ZINC000230996180 371982664 /nfs/dbraw/zinc/98/26/64/371982664.db2.gz OKMRFMVSUJVZRL-MRVPVSSYSA-N 0 0 228.255 2.450 10 30 BEEERN CC#CC[C@H](O)[C@@H]1SCCS[C@@H]1CC ZINC000228096754 371989643 /nfs/dbraw/zinc/98/96/43/371989643.db2.gz CFUKAZFXZWOWTO-AXFHLTTASA-N 0 0 230.398 2.388 10 30 BEEERN CC#CC[C@H](O)c1ncccc1Br ZINC000133111688 371989818 /nfs/dbraw/zinc/98/98/18/371989818.db2.gz FQGHKRILMLOJDN-VIFPVBQESA-N 0 0 240.100 2.291 10 30 BEEERN O=CCc1cc(Br)cc2c1OCC2 ZINC000163590340 372015653 /nfs/dbraw/zinc/01/56/53/372015653.db2.gz YRPBEBRZCIOUIJ-UHFFFAOYSA-N 0 0 241.084 2.125 10 30 BEEERN C[C@@H]1Cc2c(C#N)c(N)sc2[C@@H](C)O1 ZINC000133437086 372048689 /nfs/dbraw/zinc/04/86/89/372048689.db2.gz CXOINVBFOKKWPK-PHDIDXHHSA-N 0 0 208.286 2.224 10 30 BEEERN C[C@@H]1Cc2c(C#N)c(N)sc2[C@H](C)O1 ZINC000133436661 372048869 /nfs/dbraw/zinc/04/88/69/372048869.db2.gz CXOINVBFOKKWPK-RITPCOANSA-N 0 0 208.286 2.224 10 30 BEEERN N#Cc1cc(Br)ncc1OC(F)F ZINC000306281368 372005860 /nfs/dbraw/zinc/00/58/60/372005860.db2.gz IHRZYHUOKNFQJE-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN N#C[C@H](CO)Cc1ccc(Cl)cc1F ZINC000163529037 372007785 /nfs/dbraw/zinc/00/77/85/372007785.db2.gz OXPYPCJVLLTLFB-SSDOTTSWSA-N 0 0 213.639 2.154 10 30 BEEERN C=CC[C@H](O)[C@H]1SCCS[C@H]1C ZINC000228277694 372010801 /nfs/dbraw/zinc/01/08/01/372010801.db2.gz VFCYXJMHPLZQKL-CIUDSAMLSA-N 0 0 204.360 2.161 10 30 BEEERN CC[C@H](S)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000307321291 372110164 /nfs/dbraw/zinc/11/01/64/372110164.db2.gz QDPRKHUWDHPYDU-AEJSXWLSSA-N 0 0 215.362 2.390 10 30 BEEERN CC[C@H](S)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000307321292 372110319 /nfs/dbraw/zinc/11/03/19/372110319.db2.gz QDPRKHUWDHPYDU-BBBLOLIVSA-N 0 0 215.362 2.390 10 30 BEEERN N#C[C@@]1(Cc2nccs2)CCCOC1 ZINC000228651875 372064536 /nfs/dbraw/zinc/06/45/36/372064536.db2.gz CBVPQUMGFBQAAW-JTQLQIEISA-N 0 0 208.286 2.006 10 30 BEEERN O=C1C[C@@H]2CCCC[C@@H]2N1CCCS ZINC000307207522 372097024 /nfs/dbraw/zinc/09/70/24/372097024.db2.gz MNZSOGNVYJOKNM-UWVGGRQHSA-N 0 0 213.346 2.097 10 30 BEEERN C=CCN(CCOC)C(=O)OCc1ccccc1 ZINC000307220747 372099311 /nfs/dbraw/zinc/09/93/11/372099311.db2.gz ICZLISYJFLTYEG-UHFFFAOYSA-N 0 0 249.310 2.458 10 30 BEEERN C#CC[C@@H](C)Nc1cc(Br)ncn1 ZINC000229326782 372142600 /nfs/dbraw/zinc/14/26/00/372142600.db2.gz WFUZOVAGBBSGDQ-SSDOTTSWSA-N 0 0 240.104 2.063 10 30 BEEERN CC1CC(C#N)(NCc2ccccc2)C1 ZINC000232834904 372167058 /nfs/dbraw/zinc/16/70/58/372167058.db2.gz JLYHCNPVGXFQJR-UHFFFAOYSA-N 0 0 200.285 2.468 10 30 BEEERN CCOC(=O)c1cc(C)cc(C)c1C#N ZINC000143008497 374124737 /nfs/dbraw/zinc/12/47/37/374124737.db2.gz GOFHBCZHXLPMFX-UHFFFAOYSA-N 0 0 203.241 2.352 10 30 BEEERN OCC#Cc1cc(F)ccc1OCC(F)(F)F ZINC000037544083 183032009 /nfs/dbraw/zinc/03/20/09/183032009.db2.gz APSXEZKPSSCCPM-UHFFFAOYSA-N 0 0 248.175 2.111 10 30 BEEERN CCCCc1noc(-c2ccnc(C#N)c2)n1 ZINC000233035367 169029867 /nfs/dbraw/zinc/02/98/67/169029867.db2.gz KUXRMBYPSDFQJQ-UHFFFAOYSA-N 0 0 228.255 2.346 10 30 BEEERN O[C@@H](CS)COc1cccc(Cl)c1 ZINC000039304745 183183876 /nfs/dbraw/zinc/18/38/76/183183876.db2.gz URCLICFJPNAHJW-MRVPVSSYSA-N 0 0 218.705 2.010 10 30 BEEERN CCN(CCC#N)c1c(F)cc(CO)cc1F ZINC000062722249 169815745 /nfs/dbraw/zinc/81/57/45/169815745.db2.gz MALLUDOVUYSFSV-UHFFFAOYSA-N 0 0 240.253 2.197 10 30 BEEERN CCCN(CC(=O)OCC)c1ccc(C#N)cc1 ZINC000042707598 169102201 /nfs/dbraw/zinc/10/22/01/169102201.db2.gz KQISHWUWVOWXQY-UHFFFAOYSA-N 0 0 246.310 2.338 10 30 BEEERN Oc1ccc(/C=N/c2ccccn2)c(O)c1 ZINC000000040555 183266955 /nfs/dbraw/zinc/26/69/55/183266955.db2.gz NKIQLBVTHNEKLY-RIYZIHGNSA-N 0 0 214.224 2.243 10 30 BEEERN c1nc2c(cccc2OC[C@H]2CO2)s1 ZINC000045237378 183358592 /nfs/dbraw/zinc/35/85/92/183358592.db2.gz PJVDTCAXTWBXIW-SSDOTTSWSA-N 0 0 207.254 2.074 10 30 BEEERN c1nc2c(cccc2OC[C@@H]2CO2)s1 ZINC000045237376 183358593 /nfs/dbraw/zinc/35/85/93/183358593.db2.gz PJVDTCAXTWBXIW-ZETCQYMHSA-N 0 0 207.254 2.074 10 30 BEEERN c1cnc2cccc(OC[C@@H]3CO3)c2c1 ZINC000022005820 183358814 /nfs/dbraw/zinc/35/88/14/183358814.db2.gz MMRYHBTWIHLITG-VIFPVBQESA-N 0 0 201.225 2.012 10 30 in-vitro BEEERN CCCN[C@H](C#N)c1cnn(-c2ccccc2)c1 ZINC000020380278 169284569 /nfs/dbraw/zinc/28/45/69/169284569.db2.gz FPIJFZYSMFQADO-CQSZACIVSA-N 0 0 240.310 2.437 10 30 BEEERN CCCOc1ccc([C@@H](C#N)NCCOC)cc1 ZINC000020176420 169320829 /nfs/dbraw/zinc/32/08/29/169320829.db2.gz AFRMUBFQAGAIFR-CQSZACIVSA-N 0 0 248.326 2.276 10 30 BEEERN CCCSCc1ccc(/C(N)=N/O)cc1 ZINC000019870324 169339001 /nfs/dbraw/zinc/33/90/01/169339001.db2.gz MOCGCHLCAMIGDR-UHFFFAOYSA-N 0 0 224.329 2.424 10 30 BEEERN CCCSCc1ccccc1/C(N)=N/O ZINC000019870329 169339306 /nfs/dbraw/zinc/33/93/06/169339306.db2.gz ZDQMVAMJVJBCCW-UHFFFAOYSA-N 0 0 224.329 2.424 10 30 BEEERN CCC[C@@H]1C[C@H]1Nc1cc(C)nc(C#N)c1 ZINC000336677934 169438807 /nfs/dbraw/zinc/43/88/07/169438807.db2.gz CCSHJNBVCUOPJU-ZWNOBZJWSA-N 0 0 215.300 2.284 10 30 BEEERN C[C@@H](C#N)N1CCO[C@H](c2ccsc2)C1 ZINC000182000039 134341172 /nfs/dbraw/zinc/34/11/72/134341172.db2.gz GXBMFWRRBQVPTM-ONGXEEELSA-N 0 0 222.313 2.033 10 30 BEEERN CC(C)(C)OC(=O)NCC1(CC=O)CCC1 ZINC000098095736 166660068 /nfs/dbraw/zinc/66/00/68/166660068.db2.gz JAJOUGVEZJEOAW-UHFFFAOYSA-N 0 0 227.304 2.270 10 30 BEEERN CC(C)(C)OC(=O)N[C@H](C#N)c1cccnc1 ZINC000049822811 166667763 /nfs/dbraw/zinc/66/77/63/166667763.db2.gz RBJYNLCDLAZUBZ-SNVBAGLBSA-N 0 0 233.271 2.171 10 30 BEEERN CC(C)(C)Sc1ncccc1/C(N)=N/O ZINC000019870279 166691739 /nfs/dbraw/zinc/69/17/39/166691739.db2.gz JMSYTRIBZHXYQA-UHFFFAOYSA-N 0 0 225.317 2.067 10 30 BEEERN CCc1cc(CC#N)c(C#N)cc1[N+](=O)[O-] ZINC000575645194 383875293 /nfs/dbraw/zinc/87/52/93/383875293.db2.gz DHTLNEHKCROYGA-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN Cc1nsc(N2CCS[C@@H](C)C2)c1C#N ZINC000283767044 383918678 /nfs/dbraw/zinc/91/86/78/383918678.db2.gz OCPGWMBLBJDSHA-ZETCQYMHSA-N 0 0 239.369 2.265 10 30 BEEERN N#CCc1[nH]nc2c1cccc2Br ZINC000089196071 383942084 /nfs/dbraw/zinc/94/20/84/383942084.db2.gz WTSOGBGIAHIINI-UHFFFAOYSA-N 0 0 236.072 2.391 10 30 BEEERN C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408071774 134385974 /nfs/dbraw/zinc/38/59/74/134385974.db2.gz LNZDSBYIPCLQFI-FDYHWXHSSA-N 0 0 232.327 2.397 10 30 BEEERN CS[C@H]1CCCCN(c2cnc(C#N)cn2)C1 ZINC000127804786 383971346 /nfs/dbraw/zinc/97/13/46/383971346.db2.gz XDEZCDKKMZIMDR-NSHDSACASA-N 0 0 248.355 2.070 10 30 BEEERN CCOc1cc(CC#N)cc(C)c1C#N ZINC000575649971 384006943 /nfs/dbraw/zinc/00/69/43/384006943.db2.gz PWFGYETWJRTSFD-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN CCC1(C)CN(C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000336508429 384029698 /nfs/dbraw/zinc/02/96/98/384029698.db2.gz HPKJDJPUQULVKM-GHMZBOCLSA-N 0 0 235.331 2.120 10 30 BEEERN COC[C@H](C)C(=O)Nc1cccc(C#N)c1C ZINC000178625530 384104868 /nfs/dbraw/zinc/10/48/68/384104868.db2.gz MXKQPUDVCRFVDL-VIFPVBQESA-N 0 0 232.283 2.088 10 30 BEEERN CCC1(NC(=O)c2ccc(C#N)cn2)CCC1 ZINC000135590238 384185156 /nfs/dbraw/zinc/18/51/56/384185156.db2.gz HHAXCRFCIWNQSM-UHFFFAOYSA-N 0 0 229.283 2.016 10 30 BEEERN CN=C(Nc1ccc(OC)cc1)SC ZINC000008552836 384203584 /nfs/dbraw/zinc/20/35/84/384203584.db2.gz YTVWMIFMAJJHQP-UHFFFAOYSA-N 0 0 210.302 2.456 10 30 BEEERN CC1(C)CC(=O)C=C(NCc2ccccn2)C1 ZINC000012477597 384321498 /nfs/dbraw/zinc/32/14/98/384321498.db2.gz XERFCGBXALNNQE-UHFFFAOYSA-N 0 0 230.311 2.444 10 30 BEEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)C1CCC1 ZINC000235259010 384298180 /nfs/dbraw/zinc/29/81/80/384298180.db2.gz YXKQLFGAWDVZRL-MRVPVSSYSA-N 0 0 246.270 2.462 10 30 BEEERN COc1cc(F)c(CCC=O)cc1F ZINC000095938086 384416874 /nfs/dbraw/zinc/41/68/74/384416874.db2.gz PRYFTMWNWYZQGT-UHFFFAOYSA-N 0 0 200.184 2.105 10 30 BEEERN C/N=C(/c1ccccc1)C1(O)CCCC1 ZINC000095942481 384416927 /nfs/dbraw/zinc/41/69/27/384416927.db2.gz OGPWHHILMYHQFU-OWBHPGMISA-N 0 0 203.285 2.411 10 30 BEEERN Cc1cc(C=O)cc(CC#N)c1OC(F)F ZINC000575661735 384418472 /nfs/dbraw/zinc/41/84/72/384418472.db2.gz OYVDEAGEUUVADR-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN CC(=O)C(Cl)=NNc1ccc(F)cc1 ZINC000095686608 384388498 /nfs/dbraw/zinc/38/84/98/384388498.db2.gz GLYDHOZNBVJYBG-UKTHLTGXSA-N 0 0 214.627 2.379 10 30 BEEERN CCOc1c(C#N)c(CC)ccc1[N+](=O)[O-] ZINC000575670321 384455078 /nfs/dbraw/zinc/45/50/78/384455078.db2.gz JIQRKDIGNPIWAZ-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN Cc1cc(NC[C@H]2CCC[C@@H]2O)c(C#N)c(C)n1 ZINC000157453871 384478398 /nfs/dbraw/zinc/47/83/98/384478398.db2.gz BECWLNUJCJLCNA-RISCZKNCSA-N 0 0 245.326 2.143 10 30 BEEERN O=C1CC(c2ccc(Br)cc2)=NO1 ZINC000161660412 384514000 /nfs/dbraw/zinc/51/40/00/384514000.db2.gz JPMNDFJHGHYGJD-UHFFFAOYSA-N 0 0 240.056 2.100 10 30 BEEERN C=CCNC(=S)N=c1ccccn1CCCC ZINC000254766822 384558388 /nfs/dbraw/zinc/55/83/88/384558388.db2.gz YCBSPAHOVWTVKL-UHFFFAOYSA-N 0 0 249.383 2.249 10 30 BEEERN C=CCCO[C@@H](C)C(=O)N1CCCC1(C)C ZINC000102918466 384586743 /nfs/dbraw/zinc/58/67/43/384586743.db2.gz IOOOYPFWDIAVDU-NSHDSACASA-N 0 0 225.332 2.369 10 30 BEEERN C[C@@H](NCCC#N)c1ccccc1[N+](=O)[O-] ZINC000020526274 384622022 /nfs/dbraw/zinc/62/20/22/384622022.db2.gz AHKGUUGGNGISDZ-SECBINFHSA-N 0 0 219.244 2.159 10 30 BEEERN CCOc1cc(/C=N\O)ccc1OC(F)F ZINC000100220091 384624136 /nfs/dbraw/zinc/62/41/36/384624136.db2.gz WSVOHKMNLADWSS-MLPAPPSSSA-N 0 0 231.198 2.495 10 30 BEEERN C[C@@H](NCCC#N)c1ccc2c(c1)OCCO2 ZINC000020199699 384595902 /nfs/dbraw/zinc/59/59/02/384595902.db2.gz IYDFATWUVFEWHC-SNVBAGLBSA-N 0 0 232.283 2.022 10 30 BEEERN O=C1C=CC(=O)c2c1ccc1c2OCC=C1 ZINC000169350647 384673237 /nfs/dbraw/zinc/67/32/37/384673237.db2.gz KRJJVHGOTYJZFJ-UHFFFAOYSA-N 0 0 212.204 2.027 10 30 BEEERN CCOc1c([N+](=O)[O-])ccc(F)c1CC#N ZINC000575698043 384693782 /nfs/dbraw/zinc/69/37/82/384693782.db2.gz ZHSSYDJVKPRHQR-UHFFFAOYSA-N 0 0 224.191 2.199 10 30 BEEERN CCC(C#N)(CC)C(=O)NCc1cccc(C)n1 ZINC000051576906 384703816 /nfs/dbraw/zinc/70/38/16/384703816.db2.gz IZSQKYMCFCJNOR-UHFFFAOYSA-N 0 0 245.326 2.336 10 30 BEEERN N#CCc1cc(F)c(O)c(OC(F)(F)F)c1 ZINC000575702440 384764481 /nfs/dbraw/zinc/76/44/81/384764481.db2.gz DSHUIKOKDNKKOU-UHFFFAOYSA-N 0 0 235.136 2.496 10 30 BEEERN CC(C)C1(CNc2cnc(C#N)cn2)CC1 ZINC000126712349 384823322 /nfs/dbraw/zinc/82/33/22/384823322.db2.gz NJIOLJPYTZKPMS-UHFFFAOYSA-N 0 0 216.288 2.196 10 30 BEEERN C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@@H](C)O1 ZINC000111035731 384826123 /nfs/dbraw/zinc/82/61/23/384826123.db2.gz PEJNGTSFOZGMRL-NXEZZACHSA-N 0 0 234.274 2.311 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1C[C@H]1C ZINC000119690356 384834947 /nfs/dbraw/zinc/83/49/47/384834947.db2.gz NBXRULBSKLYAIC-BXKDBHETSA-N 0 0 214.268 2.005 10 30 BEEERN N#CCc1c(F)ccc(O)c1OC(F)(F)F ZINC000575705093 384792032 /nfs/dbraw/zinc/79/20/32/384792032.db2.gz UJACALVKSLFNKD-UHFFFAOYSA-N 0 0 235.136 2.496 10 30 BEEERN CC[S@@](C)(=O)=Nc1cccc(C#N)c1 ZINC000536951679 384804864 /nfs/dbraw/zinc/80/48/64/384804864.db2.gz UUVVGSXRMSJJOF-CQSZACIVSA-N 0 0 208.286 2.307 10 30 BEEERN Cc1cc(CC#N)c(Br)cc1N ZINC000575715146 384870713 /nfs/dbraw/zinc/87/07/13/384870713.db2.gz UAVNICKUUPCNJD-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN Cc1ccc(Br)c(N)c1CC#N ZINC000575715254 384870832 /nfs/dbraw/zinc/87/08/32/384870832.db2.gz YRHNTAZCZTZWEE-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN Cc1cc(N)c(CC#N)cc1OC(F)F ZINC000575718083 384886273 /nfs/dbraw/zinc/88/62/73/384886273.db2.gz YLHYXNMWPYXEQG-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN N#CCc1c(O)ccc(N)c1C(F)(F)F ZINC000575718647 384888345 /nfs/dbraw/zinc/88/83/45/384888345.db2.gz HQMGJZLQNBSKMV-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN Cc1cc(CC#N)c(N)cc1Br ZINC000575714388 384862569 /nfs/dbraw/zinc/86/25/69/384862569.db2.gz GZRFWEZJZBYWML-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN COC[C@@H](C)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000175802477 384964149 /nfs/dbraw/zinc/96/41/49/384964149.db2.gz SWGQCZYXXLGGPK-GHMZBOCLSA-N 0 0 247.294 2.445 10 30 BEEERN C=CCN(CC)S(=O)(=O)c1ccccc1F ZINC000106073419 385080918 /nfs/dbraw/zinc/08/09/18/385080918.db2.gz VWJRFCBKRGEHMM-UHFFFAOYSA-N 0 0 243.303 2.022 10 30 BEEERN O=c1c2ccsc2ccn1CCCS ZINC000157790709 385116369 /nfs/dbraw/zinc/11/63/69/385116369.db2.gz MCCDLKWFUWOAPL-UHFFFAOYSA-N 0 0 225.338 2.383 10 30 BEEERN Cc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000062053074 385153387 /nfs/dbraw/zinc/15/33/87/385153387.db2.gz JJVYVPMVPMHTTA-CHWSQXEVSA-N 0 0 215.300 2.172 10 30 BEEERN C[C@H](O)C(C)(C)Nc1cccc(F)c1C#N ZINC000135517164 385173212 /nfs/dbraw/zinc/17/32/12/385173212.db2.gz HMDJPVGPYKTRRN-QMMMGPOBSA-N 0 0 222.263 2.269 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)N(C)c2ccccc2C#N)O1 ZINC000158202023 385260739 /nfs/dbraw/zinc/26/07/39/385260739.db2.gz MNZHKNAWFROPIE-GWCFXTLKSA-N 0 0 244.294 2.089 10 30 BEEERN C#Cc1sc2nc(C)cc(C)c2c1N ZINC000575434151 385266491 /nfs/dbraw/zinc/26/64/91/385266491.db2.gz ICJKIMYLTQDUTK-UHFFFAOYSA-N 0 0 202.282 2.477 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000177907567 385286708 /nfs/dbraw/zinc/28/67/08/385286708.db2.gz UQNCGIIROHNTGP-HQJQHLMTSA-N 0 0 233.246 2.227 10 30 BEEERN CCn1nc(C)c(CN[C@H]2CCC[C@@H]2C#N)c1C ZINC000307970605 385368247 /nfs/dbraw/zinc/36/82/47/385368247.db2.gz HCYJAFJQKLMPOH-OCCSQVGLSA-N 0 0 246.358 2.302 10 30 BEEERN CC(C)[C@@H](O)CC(=O)Nc1ccc(CC#N)cc1 ZINC000154448419 385327094 /nfs/dbraw/zinc/32/70/94/385327094.db2.gz BHBSRGJPWUFWHO-ZDUSSCGKSA-N 0 0 246.310 2.098 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1c(F)cc(C#N)cc1F ZINC000149805933 385516654 /nfs/dbraw/zinc/51/66/54/385516654.db2.gz FUIBEXCIJYXNKU-CPCISQLKSA-N 0 0 238.237 2.426 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000149805298 385517052 /nfs/dbraw/zinc/51/70/52/385517052.db2.gz FUIBEXCIJYXNKU-RDDDGLTNSA-N 0 0 238.237 2.426 10 30 BEEERN N#C[C@@H](N)c1csc(Br)c1 ZINC000259519511 385532879 /nfs/dbraw/zinc/53/28/79/385532879.db2.gz DAJUFONRFQLWMP-RXMQYKEDSA-N 0 0 217.091 2.034 10 30 BEEERN C[C@H](C#N)NC(=O)c1cc(Cl)cs1 ZINC000259952315 385617041 /nfs/dbraw/zinc/61/70/41/385617041.db2.gz LFUBTMIXSCQFLL-RXMQYKEDSA-N 0 0 214.677 2.043 10 30 BEEERN Cc1cc(Br)ccc1[C@H](N)C#N ZINC000259989054 385636832 /nfs/dbraw/zinc/63/68/32/385636832.db2.gz HDVYVIRJSCNZKG-SECBINFHSA-N 0 0 225.089 2.281 10 30 BEEERN CC1(C)C(C(=O)N2N=C(C#N)CC23CC3)C1(C)C ZINC000005727649 385633343 /nfs/dbraw/zinc/63/33/43/385633343.db2.gz VYMRBKXSBNWLEN-UHFFFAOYSA-N 0 0 245.326 2.313 10 30 BEEERN CCOC(=O)c1cc(OC)c(C)cc1C#N ZINC000260152910 385713857 /nfs/dbraw/zinc/71/38/57/385713857.db2.gz PITNBSAQCYHGQX-UHFFFAOYSA-N 0 0 219.240 2.052 10 30 BEEERN Cc1ccc(CN[C@H]2CCC[C@@H]2C#N)o1 ZINC000054829793 385666581 /nfs/dbraw/zinc/66/65/81/385666581.db2.gz HZMNCQWJJZXZOV-PWSUYJOCSA-N 0 0 204.273 2.370 10 30 BEEERN Cc1ccc(CN[C@@H]2CCC[C@@H]2C#N)o1 ZINC000054829790 385666648 /nfs/dbraw/zinc/66/66/48/385666648.db2.gz HZMNCQWJJZXZOV-ZYHUDNBSSA-N 0 0 204.273 2.370 10 30 BEEERN Cc1ccc(Br)c(CC#N)n1 ZINC000259854830 385788242 /nfs/dbraw/zinc/78/82/42/385788242.db2.gz NVTGGEOTSJTJAF-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN C=C(C)CNC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000160939683 385920909 /nfs/dbraw/zinc/92/09/09/385920909.db2.gz BOGINRNUNCCARQ-NSHDSACASA-N 0 0 233.311 2.491 10 30 BEEERN CC[C@H](SC)C(=O)NC1(C#N)CCCC1 ZINC000121789003 385861975 /nfs/dbraw/zinc/86/19/75/385861975.db2.gz ZHURDHBJLYIQKM-VIFPVBQESA-N 0 0 226.345 2.081 10 30 BEEERN N#Cc1cc(N)c(C(F)(F)F)cc1F ZINC000260835901 385984134 /nfs/dbraw/zinc/98/41/34/385984134.db2.gz NUCJPBMYEQNBBI-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN C=C[C@@H](C)Nc1cc(Br)ncn1 ZINC000229319318 386101227 /nfs/dbraw/zinc/10/12/27/386101227.db2.gz HNSCTKKVHBSQBH-ZCFIWIBFSA-N 0 0 228.093 2.226 10 30 BEEERN Cc1cc(N[C@@H]2CCC[C@H]2C#N)nc(C2CC2)n1 ZINC000408329130 386090991 /nfs/dbraw/zinc/09/09/91/386090991.db2.gz MCXUPJLVASSATF-NWDGAFQWSA-N 0 0 242.326 2.189 10 30 BEEERN CC(C)(C)OC(=O)NC(C)(C)[C@H]1C[C@H]1C=O ZINC000521400083 386446409 /nfs/dbraw/zinc/44/64/09/386446409.db2.gz ABOVZVGBFCJVCS-IUCAKERBSA-N 0 0 227.304 2.125 10 30 BEEERN CCOc1cc(C#N)c(OC)cc1CC#N ZINC000575643988 386583021 /nfs/dbraw/zinc/58/30/21/386583021.db2.gz ACPFJGHLBWHSCW-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN CCc1cc(C#N)cc(CC#N)c1OC ZINC000575643938 386583502 /nfs/dbraw/zinc/58/35/02/386583502.db2.gz DTJSZWARKKYALW-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN COC(=O)Cc1c(C#N)cccc1C(F)(F)F ZINC000575345242 386709116 /nfs/dbraw/zinc/70/91/16/386709116.db2.gz MMEZEZNAJGFMRR-UHFFFAOYSA-N 0 0 243.184 2.293 10 30 BEEERN COC(=O)c1ccc(C#N)c(C(F)F)c1OC ZINC000575343591 386691151 /nfs/dbraw/zinc/69/11/51/386691151.db2.gz MWVVRMDEBATMAM-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN CCOC(=O)Cc1cc(C#N)cc(F)c1CC ZINC000575344431 386691828 /nfs/dbraw/zinc/69/18/28/386691828.db2.gz IAAORJVDJKZLMT-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN CCOC(=O)Cc1cc(F)c(CC)cc1C#N ZINC000575344439 386692234 /nfs/dbraw/zinc/69/22/34/386692234.db2.gz MYKRFFUSMNPHSE-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN N#Cc1cccc([C@@H]2CCCCN2C(N)=O)c1 ZINC000616615664 386721247 /nfs/dbraw/zinc/72/12/47/386721247.db2.gz FTPROROUWOCNNO-LBPRGKRZSA-N 0 0 229.283 2.164 10 30 BEEERN COC(=O)CCCC(=O)c1ccc(C#N)cc1 ZINC000575361772 386763660 /nfs/dbraw/zinc/76/36/60/386763660.db2.gz GFVOBRSBCMQJSC-UHFFFAOYSA-N 0 0 231.251 2.084 10 30 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387112158 /nfs/dbraw/zinc/11/21/58/387112158.db2.gz SOAGDHVHZLOCCJ-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN N#Cc1c(F)cc([N+](=O)[O-])cc1OC(F)F ZINC000575661727 387113066 /nfs/dbraw/zinc/11/30/66/387113066.db2.gz WAGXPVQJIOEADN-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN N#CCc1c([N+](=O)[O-])ccc(F)c1OC(F)F ZINC000575662112 387149570 /nfs/dbraw/zinc/14/95/70/387149570.db2.gz XHDLUAMCYFQHHX-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN N#C[C@@]1(c2ccc(F)cc2)CCCOC1 ZINC000536950895 387161607 /nfs/dbraw/zinc/16/16/07/387161607.db2.gz UVRXEPUMIGWIQK-LBPRGKRZSA-N 0 0 205.232 2.397 10 30 BEEERN COc1cc(CC#N)c(OC(F)F)cc1O ZINC000575662789 387200551 /nfs/dbraw/zinc/20/05/51/387200551.db2.gz IINPMEPYZVKWOB-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN C[C@@H]1C[C@@](C#N)(NC(=O)OC(C)(C)C)CS1 ZINC000575495979 387313878 /nfs/dbraw/zinc/31/38/78/387313878.db2.gz HAWVIIQYTLDCIY-KCJUWKMLSA-N 0 0 242.344 2.299 10 30 BEEERN C[C@@H]1OCCC[C@@H]1C(=O)Oc1ccc(C#N)cc1 ZINC000192190991 387355599 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COc1cc(N)c(C(F)(F)F)c(CC#N)c1 ZINC000575716731 387433692 /nfs/dbraw/zinc/43/36/92/387433692.db2.gz KSWOASHJRSHWBO-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN Cc1cc(OC(F)F)c(CC#N)cc1N ZINC000575716606 387434031 /nfs/dbraw/zinc/43/40/31/387434031.db2.gz GGRRFHKKQSDSRZ-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN N#CCc1c(N)c(F)ccc1OC(F)F ZINC000575716895 387434063 /nfs/dbraw/zinc/43/40/63/387434063.db2.gz XJOSIAZPBMTGLI-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN Cc1c(O)cc(Br)cc1C#N ZINC000575693055 387385846 /nfs/dbraw/zinc/38/58/46/387385846.db2.gz RZCNDDQIFGUFIP-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN COc1ccc(CC#N)c(Br)c1O ZINC000575693086 387385918 /nfs/dbraw/zinc/38/59/18/387385918.db2.gz UWIIMJPGEKNEDQ-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN CC[C@@H](C#N)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000051632422 387388752 /nfs/dbraw/zinc/38/87/52/387388752.db2.gz HIFQUWIOBZYYHI-SMDDNHRTSA-N 0 0 242.322 2.210 10 30 BEEERN CCOc1cc([N+](=O)[O-])cc(CC#N)c1F ZINC000575697410 387391456 /nfs/dbraw/zinc/39/14/56/387391456.db2.gz DKOLGZKZMMAOJN-UHFFFAOYSA-N 0 0 224.191 2.199 10 30 BEEERN CCOc1cc(C)c(OC)cc1CC#N ZINC000575698546 387394884 /nfs/dbraw/zinc/39/48/84/387394884.db2.gz WVDWSDKTELENDO-UHFFFAOYSA-N 0 0 205.257 2.468 10 30 BEEERN COc1c(Br)ccc(CC#N)c1N ZINC000575714366 387408510 /nfs/dbraw/zinc/40/85/10/387408510.db2.gz GGCQLWPWZJSDMU-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN COc1cc(Br)c(CC#N)cc1N ZINC000575714484 387411002 /nfs/dbraw/zinc/41/10/02/387411002.db2.gz JSZVIQCIIASWFQ-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN N#CCc1cc(Br)cc(N)c1F ZINC000575714429 387411059 /nfs/dbraw/zinc/41/10/59/387411059.db2.gz OAPFQGIMALMPRK-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#CCc1cc(C(F)(F)F)c(CO)cc1F ZINC000575706557 387411250 /nfs/dbraw/zinc/41/12/50/387411250.db2.gz ZWKZAGPXWUKXFX-UHFFFAOYSA-N 0 0 233.164 2.403 10 30 BEEERN N#CCc1ccc(N)c(Br)c1F ZINC000575713796 387418428 /nfs/dbraw/zinc/41/84/28/387418428.db2.gz CVGDOOTVGDLUQD-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN COc1ccc(CC#N)c(Br)c1N ZINC000575714030 387419078 /nfs/dbraw/zinc/41/90/78/387419078.db2.gz AFDHQKYFSFGCPJ-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN C#CCOC(=O)OC1=C(C)C(=O)C[C@H](C)C1 ZINC000584623599 387502680 /nfs/dbraw/zinc/50/26/80/387502680.db2.gz PXGCKTPVBGKLJC-QMMMGPOBSA-N 0 0 222.240 2.046 10 30 BEEERN CC(=O)C(=NNc1cccc(C)c1C)C(C)=O ZINC000584623724 387502746 /nfs/dbraw/zinc/50/27/46/387502746.db2.gz CIFQVIWAJCOCEJ-UHFFFAOYSA-N 0 0 232.283 2.249 10 30 BEEERN O=C1C=C/C(=N\O)C=C1Cc1ccccc1 ZINC000584623555 387502837 /nfs/dbraw/zinc/50/28/37/387502837.db2.gz BRIDLBDVIRGYCK-WYMLVPIESA-N 0 0 213.236 2.125 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@H]2C[C@@H]2C)n1 ZINC000052291219 387469430 /nfs/dbraw/zinc/46/94/30/387469430.db2.gz LQAQSYQKHYSCHT-KWQFWETISA-N 0 0 201.273 2.390 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@@H]2C[C@H]2C)n1 ZINC000052291222 387470333 /nfs/dbraw/zinc/47/03/33/387470333.db2.gz LQAQSYQKHYSCHT-LDYMZIIASA-N 0 0 201.273 2.390 10 30 BEEERN CC[N+]([O-])=Cc1snnc1-c1ccccc1 ZINC000575732301 387474938 /nfs/dbraw/zinc/47/49/38/387474938.db2.gz RKGLOWQDFNTDAU-NTMALXAHSA-N 0 0 234.304 2.223 10 30 BEEERN CN[C@H](C#N)c1ccsc1Br ZINC000575541810 387595744 /nfs/dbraw/zinc/59/57/44/387595744.db2.gz KISPWNFUZNRUFU-ZCFIWIBFSA-N 0 0 231.118 2.295 10 30 BEEERN N#CCc1cc(F)c(OC(F)F)c(C#N)c1 ZINC000575639029 387833541 /nfs/dbraw/zinc/83/35/41/387833541.db2.gz CKYFIORBCLXKLK-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN COc1cc(OC(F)F)c(C#N)cc1CC#N ZINC000575639623 387837076 /nfs/dbraw/zinc/83/70/76/387837076.db2.gz BCOXCEZCNMIQHG-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN N#CCc1cc(OC(F)F)c(F)cc1C#N ZINC000575640373 387838419 /nfs/dbraw/zinc/83/84/19/387838419.db2.gz NUVXLFSFYPLQFF-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(C)n1 ZINC000061888537 387847138 /nfs/dbraw/zinc/84/71/38/387847138.db2.gz QJDKNBOKAZLINN-WCQYABFASA-N 0 0 243.310 2.121 10 30 BEEERN Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061888379 387847384 /nfs/dbraw/zinc/84/73/84/387847384.db2.gz FJZUIPVELPNQEG-ZIAGYGMSSA-N 0 0 242.322 2.346 10 30 BEEERN CC(C)(O)C#C[C@@](C)(O)c1ccc(Cl)cc1 ZINC000169343462 387817337 /nfs/dbraw/zinc/81/73/37/387817337.db2.gz NCIGHWGBMRBXPT-CYBMUJFWSA-N 0 0 238.714 2.322 10 30 BEEERN CCOc1c(C#N)cc(OC)cc1CC#N ZINC000575648367 387892996 /nfs/dbraw/zinc/89/29/96/387892996.db2.gz OOVRFBHRNRDIEK-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN CCOc1c(C)c(CC#N)ccc1C#N ZINC000575647420 387881375 /nfs/dbraw/zinc/88/13/75/387881375.db2.gz HSLFLOPQIYZYHL-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN CCc1c(CC#N)cc(C#N)cc1OC ZINC000575646793 387882148 /nfs/dbraw/zinc/88/21/48/387882148.db2.gz PMJJAPBEWZYOND-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN CCOc1c(C#N)cc(C)cc1CC#N ZINC000575648793 387885598 /nfs/dbraw/zinc/88/55/98/387885598.db2.gz LCYKLVXNHXQSMW-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN C#CC[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195336156 387919195 /nfs/dbraw/zinc/91/91/95/387919195.db2.gz RBBFPLNSSRSHIU-LLVKDONJSA-N 0 0 220.341 2.264 10 30 BEEERN COc1cc(CC#N)cc(OC)c1OC(F)F ZINC000575652174 387900827 /nfs/dbraw/zinc/90/08/27/387900827.db2.gz BUINLNSJXAWUIZ-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN N#CCN1CCCC[C@@H]1c1nccs1 ZINC000195363716 387910396 /nfs/dbraw/zinc/91/03/96/387910396.db2.gz JSLGPDNAGHRVEI-SECBINFHSA-N 0 0 207.302 2.194 10 30 BEEERN C#CCN1CCCC[C@H]1c1nccs1 ZINC000195369624 387910927 /nfs/dbraw/zinc/91/09/27/387910927.db2.gz WJEIZFLIOGVMOZ-JTQLQIEISA-N 0 0 206.314 2.303 10 30 BEEERN CCc1csc([C@@H]2CCCN(CC#N)C2)n1 ZINC000195379299 387913113 /nfs/dbraw/zinc/91/31/13/387913113.db2.gz DECNRKSFEHGHSM-SNVBAGLBSA-N 0 0 235.356 2.408 10 30 BEEERN C=CCN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000195385798 387914326 /nfs/dbraw/zinc/91/43/26/387914326.db2.gz VPPZGQSJSXVCSC-SNVBAGLBSA-N 0 0 224.329 2.011 10 30 BEEERN C#CCON=c1[nH]cc(Cl)cc1Cl ZINC000306389252 388003369 /nfs/dbraw/zinc/00/33/69/388003369.db2.gz XLCUCDKXSJDLPW-UHFFFAOYSA-N 0 0 217.055 2.365 10 30 BEEERN CN(C[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000042466224 388094528 /nfs/dbraw/zinc/09/45/28/388094528.db2.gz UTJAGWKEVYJVMA-CYBMUJFWSA-N 0 0 216.284 2.173 10 30 BEEERN C=CCN(C)C(=O)N[C@@H](CC)c1nccs1 ZINC000119162875 388105887 /nfs/dbraw/zinc/10/58/87/388105887.db2.gz PBIUOHMIXZZIRY-VIFPVBQESA-N 0 0 239.344 2.422 10 30 BEEERN Cc1ccoc1CN[C@H]1CCC[C@@H]1C#N ZINC000164661510 388242356 /nfs/dbraw/zinc/24/23/56/388242356.db2.gz IXDRPKQSIUZYIX-MNOVXSKESA-N 0 0 204.273 2.370 10 30 BEEERN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)/C=C/Cl ZINC000575521445 388358377 /nfs/dbraw/zinc/35/83/77/388358377.db2.gz WAMVIKRWLNXRGO-KFTRCHACSA-N 0 0 202.681 2.368 10 30 BEEERN NC(=O)c1cccc(N=Cc2ccc(O)cc2)c1 ZINC000254759749 388359327 /nfs/dbraw/zinc/35/93/27/388359327.db2.gz YJXPRZOPUSEHKB-UHFFFAOYSA-N 0 0 240.262 2.242 10 30 BEEERN Cn1cc(Oc2cccc(F)c2C#N)cn1 ZINC000227940655 388374004 /nfs/dbraw/zinc/37/40/04/388374004.db2.gz DEVFWCGJSSFHIL-UHFFFAOYSA-N 0 0 217.203 2.223 10 30 BEEERN C=C(CC)CNCc1csc(COC)n1 ZINC000648840056 388448628 /nfs/dbraw/zinc/44/86/28/388448628.db2.gz GUSZGCFCWRCBHU-UHFFFAOYSA-N 0 0 226.345 2.345 10 30 BEEERN COP(=O)(N=C1SCCS1)OC ZINC000005701235 256776221 /nfs/dbraw/zinc/77/62/21/256776221.db2.gz CWXVDJFKMQCYFG-UHFFFAOYSA-N 0 0 227.247 2.223 10 30 BEEERN COC(=O)Cc1cc(C(F)F)cc(F)c1C#N ZINC000575389396 388486928 /nfs/dbraw/zinc/48/69/28/388486928.db2.gz GAAAYHBDXGXCSS-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN N#CC(c1ccc(F)cn1)c1ccc(F)cn1 ZINC000253496069 388604039 /nfs/dbraw/zinc/60/40/39/388604039.db2.gz ATYHUUDKLYDUAC-UHFFFAOYSA-N 0 0 231.205 2.410 10 30 BEEERN Cn1cc(Oc2ncc(C#N)cc2Cl)cn1 ZINC000302257128 388620598 /nfs/dbraw/zinc/62/05/98/388620598.db2.gz CCESKMFDZVWJMK-UHFFFAOYSA-N 0 0 234.646 2.132 10 30 BEEERN COc1c(F)c(F)c(C)c(C#N)c1F ZINC000063772426 388663261 /nfs/dbraw/zinc/66/32/61/388663261.db2.gz VBCAQXLEKXMZGX-UHFFFAOYSA-N 0 0 201.147 2.293 10 30 BEEERN Cc1cc(OCc2ccc(C#N)cc2)nn1C ZINC000128393153 388753279 /nfs/dbraw/zinc/75/32/79/388753279.db2.gz GBHBDRKCCZXVRM-UHFFFAOYSA-N 0 0 227.267 2.179 10 30 BEEERN CCCCNC(=O)c1ccc(C#N)cc1C ZINC000116128694 388707872 /nfs/dbraw/zinc/70/78/72/388707872.db2.gz SEOWGZZOVJURTB-UHFFFAOYSA-N 0 0 216.284 2.397 10 30 BEEERN CC1CC(C(=O)Nc2ccc(C#N)c(C#N)c2)C1 ZINC000530999915 388717295 /nfs/dbraw/zinc/71/72/95/388717295.db2.gz VUBJYTPWOBWXOL-UHFFFAOYSA-N 0 0 239.278 2.415 10 30 BEEERN C=CCCN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127546200 388725958 /nfs/dbraw/zinc/72/59/58/388725958.db2.gz AVBOEVQMXVWEPS-CQSZACIVSA-N 0 0 233.311 2.342 10 30 BEEERN CCN(CCC#N)C(=O)[C@@H]1CCC[C@@H]1C ZINC000230170609 388819023 /nfs/dbraw/zinc/81/90/23/388819023.db2.gz YDGDYNPLMCYGQB-WDEREUQCSA-N 0 0 208.305 2.185 10 30 BEEERN CCS[C@@H]1CCC[C@H]1Nc1cnc(C#N)cn1 ZINC000126297104 388823726 /nfs/dbraw/zinc/82/37/26/388823726.db2.gz NTXOEFSYGUNTNS-GHMZBOCLSA-N 0 0 248.355 2.434 10 30 BEEERN Cc1cc(-c2cccc(C#N)n2)nnc1Cl ZINC000072204223 177686031 /nfs/dbraw/zinc/68/60/31/177686031.db2.gz AGCLDBQXTHNLCS-UHFFFAOYSA-N 0 0 230.658 2.372 10 30 BEEERN C[C@H]1CSC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496596 388974374 /nfs/dbraw/zinc/97/43/74/388974374.db2.gz PRYQFDXZLGHQGV-GZMMTYOYSA-N 0 0 242.344 2.156 10 30 BEEERN C#C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000575514085 389034708 /nfs/dbraw/zinc/03/47/08/389034708.db2.gz QGGNAXDQGIXXNT-MRVPVSSYSA-N 0 0 216.067 2.242 10 30 BEEERN C#Cc1cccc(N(C)CC(=O)NC(C)(C)C)c1 ZINC000103146741 533346045 /nfs/dbraw/zinc/34/60/45/533346045.db2.gz IJPGVTMPSBEHEF-UHFFFAOYSA-N 0 0 244.338 2.019 10 30 BEEERN C=C(C)CSc1nnnn1Cc1ccccc1 ZINC000048396142 533532239 /nfs/dbraw/zinc/53/22/39/533532239.db2.gz OXVHLRCOJAOVRG-UHFFFAOYSA-N 0 0 246.339 2.390 10 30 BEEERN Cc1cc(N2CCCCO2)c(C#N)c(C)n1 ZINC000302628980 132264927 /nfs/dbraw/zinc/26/49/27/132264927.db2.gz GBJGSWHUYBUICR-UHFFFAOYSA-N 0 0 217.272 2.102 10 30 BEEERN C[C@@H]1CN(c2ccccc2C#N)C[C@H](C)O1 ZINC000020076098 132329692 /nfs/dbraw/zinc/32/96/92/132329692.db2.gz XVFPSQXEIDKLIR-PHIMTYICSA-N 0 0 216.284 2.172 10 30 BEEERN CC[C@@H]1CO[C@H](C)CN1c1ccc(C#N)cc1N ZINC000036131918 132340081 /nfs/dbraw/zinc/34/00/81/132340081.db2.gz MQLYKBJPDLAOJR-ZYHUDNBSSA-N 0 0 245.326 2.144 10 30 BEEERN Cc1ccc(C#N)c(N2C[C@@H](C)OC[C@@H]2C)c1 ZINC000051597710 132361487 /nfs/dbraw/zinc/36/14/87/132361487.db2.gz LFTTYHKOBJDADR-NWDGAFQWSA-N 0 0 230.311 2.480 10 30 BEEERN Cc1ccc(C#N)c(N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000051597013 132361514 /nfs/dbraw/zinc/36/15/14/132361514.db2.gz RJXKDKAHTXKKPK-RYUDHWBXSA-N 0 0 230.311 2.480 10 30 BEEERN Cc1ccc(C#N)c(N2C[C@H](C)OC[C@@H]2C)c1 ZINC000051597708 132361548 /nfs/dbraw/zinc/36/15/48/132361548.db2.gz LFTTYHKOBJDADR-RYUDHWBXSA-N 0 0 230.311 2.480 10 30 BEEERN C[C@H](NC(=O)C1(C#N)CCCCC1)c1ccon1 ZINC000408057088 133468463 /nfs/dbraw/zinc/46/84/63/133468463.db2.gz PRRAOINZEYNZOD-JTQLQIEISA-N 0 0 247.298 2.326 10 30 BEEERN C[C@H](CC1CC1)NC(=O)c1cc2n(n1)CCCO2 ZINC000330309137 134001280 /nfs/dbraw/zinc/00/12/80/134001280.db2.gz TYZCFGOYTUVMCW-SECBINFHSA-N 0 0 249.314 2.159 10 30 BEEERN CC1(C)CCCN1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000336033232 134059132 /nfs/dbraw/zinc/05/91/32/134059132.db2.gz WBXRPHFXSALVKI-QWRGUYRKSA-N 0 0 235.331 2.263 10 30 BEEERN CC(C)(C)[C@H]1CN(C(C)(C)C#N)CCO1 ZINC000336132599 134097683 /nfs/dbraw/zinc/09/76/83/134097683.db2.gz VOEOPHFJSGPZSZ-SNVBAGLBSA-N 0 0 210.321 2.035 10 30 BEEERN C[C@@H](C#N)N1CCCc2ccccc2CC1 ZINC000336291396 134142221 /nfs/dbraw/zinc/14/22/21/134142221.db2.gz AXSFIZDUPQBODD-LBPRGKRZSA-N 0 0 214.312 2.389 10 30 BEEERN C=CCNC(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000114581022 134186586 /nfs/dbraw/zinc/18/65/86/134186586.db2.gz NDSIMYSJLRLBAO-AWEZNQCLSA-N 0 0 244.338 2.371 10 30 BEEERN CC#CCSc1nnc(C2CCC2)n1C ZINC000120041731 134227228 /nfs/dbraw/zinc/22/72/28/134227228.db2.gz RXDRQTYHMYPCDN-UHFFFAOYSA-N 0 0 221.329 2.198 10 30 BEEERN Cc1ccc2c(c1)[C@@H](NC(=O)CC#N)[C@H](C)C2 ZINC000120111112 134228367 /nfs/dbraw/zinc/22/83/67/134228367.db2.gz YOWDOUCADAOWPW-YGRLFVJLSA-N 0 0 228.295 2.258 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[C@H]1C ZINC000300240553 134228383 /nfs/dbraw/zinc/22/83/83/134228383.db2.gz PTLLORXVGIXRNV-IJLUTSLNSA-N 0 0 222.332 2.431 10 30 BEEERN CC#CCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000120907006 134230643 /nfs/dbraw/zinc/23/06/43/134230643.db2.gz DGLULUAWTLDKTF-QWHCGFSZSA-N 0 0 219.328 2.342 10 30 BEEERN CC#CCNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000121085984 134231174 /nfs/dbraw/zinc/23/11/74/134231174.db2.gz CYBABGGOSXCKND-INIZCTEOSA-N 0 0 241.334 2.420 10 30 BEEERN C#CCCCNC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000172925660 134270795 /nfs/dbraw/zinc/27/07/95/134270795.db2.gz KRRZOXFAWCBCFD-RISCZKNCSA-N 0 0 243.306 2.081 10 30 BEEERN C[C@H](C#N)N1CCC[C@H](c2nccs2)C1 ZINC000181651990 134338167 /nfs/dbraw/zinc/33/81/67/134338167.db2.gz DEHUCWLKVFDXRV-ZJUUUORDSA-N 0 0 221.329 2.235 10 30 BEEERN C[C@H](C#N)N1CCC(OC2CCCC2)CC1 ZINC000181648930 134338243 /nfs/dbraw/zinc/33/82/43/134338243.db2.gz MVXAYVMVZNWZSP-LLVKDONJSA-N 0 0 222.332 2.322 10 30 BEEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)C#N ZINC000181852327 134339932 /nfs/dbraw/zinc/33/99/32/134339932.db2.gz SRPGJFKGBGIIEH-CABZTGNLSA-N 0 0 232.331 2.086 10 30 BEEERN C[C@H](C#N)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000182246921 134343468 /nfs/dbraw/zinc/34/34/68/134343468.db2.gz SJJPVIKONPXQIS-IUODEOHRSA-N 0 0 242.322 2.072 10 30 BEEERN Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@H]2C#N)s1 ZINC000225124194 134351303 /nfs/dbraw/zinc/35/13/03/134351303.db2.gz TZKVKOHEBUVQCF-VHSXEESVSA-N 0 0 249.339 2.182 10 30 BEEERN Cc1ccc(C#N)c(N[C@H]2CCC[C@H]2C#N)n1 ZINC000408109631 134393986 /nfs/dbraw/zinc/39/39/86/134393986.db2.gz YYLLEHJYKAGUDE-JQWIXIFHSA-N 0 0 226.283 2.366 10 30 BEEERN Cc1nnc(N[C@@H]2CCC[C@@H]2C#N)c(C#N)c1C ZINC000408108413 134394077 /nfs/dbraw/zinc/39/40/77/134394077.db2.gz UUECUUYIAHDFOE-ZYHUDNBSSA-N 0 0 241.298 2.069 10 30 BEEERN Cc1nnc(N[C@H]2CCC[C@H]2C#N)c(C#N)c1C ZINC000408108410 134394369 /nfs/dbraw/zinc/39/43/69/134394369.db2.gz UUECUUYIAHDFOE-JQWIXIFHSA-N 0 0 241.298 2.069 10 30 BEEERN C[C@H](CC#N)NC(=O)C[C@H](C)C(C)(C)C ZINC000111617676 134409027 /nfs/dbraw/zinc/40/90/27/134409027.db2.gz CFPBXCRGXBXDKX-VHSXEESVSA-N 0 0 210.321 2.477 10 30 BEEERN CC[C@@](C)(C#N)C(=O)N[C@@H]1COc2ccccc21 ZINC000136257143 134787326 /nfs/dbraw/zinc/78/73/26/134787326.db2.gz GDUKBYZYPIBIAR-RISCZKNCSA-N 0 0 244.294 2.176 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1ccccc1F ZINC000061888596 134802820 /nfs/dbraw/zinc/80/28/20/134802820.db2.gz UODOWMOWRQJOBR-YPMHNXCESA-N 0 0 246.285 2.177 10 30 BEEERN Cc1occc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000061889146 134804804 /nfs/dbraw/zinc/80/48/04/134804804.db2.gz CPOQMHUIYRSQLA-ONGXEEELSA-N 0 0 218.256 2.010 10 30 BEEERN C=CCCC(=O)Nc1ccnn1CCC ZINC000102229048 134804991 /nfs/dbraw/zinc/80/49/91/134804991.db2.gz JJMWHHNHIBRQRB-UHFFFAOYSA-N 0 0 207.277 2.198 10 30 BEEERN C=CCCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000102232961 134805674 /nfs/dbraw/zinc/80/56/74/134805674.db2.gz PXAQPODIZKDOEL-NEPJUHHUSA-N 0 0 223.316 2.123 10 30 BEEERN C[C@H](C#N)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000248466690 135012447 /nfs/dbraw/zinc/01/24/47/135012447.db2.gz SJJPVIKONPXQIS-DOMZBBRYSA-N 0 0 242.322 2.072 10 30 BEEERN CC#CCNC(=O)CSc1ccccc1C ZINC000121090151 135221858 /nfs/dbraw/zinc/22/18/58/135221858.db2.gz ZJACKOUXEGLTGE-UHFFFAOYSA-N 0 0 233.336 2.227 10 30 BEEERN CC#CCCNC(=O)NC1CCCCC1 ZINC000122201851 135227254 /nfs/dbraw/zinc/22/72/54/135227254.db2.gz QWODRKRAEATJOG-UHFFFAOYSA-N 0 0 208.305 2.032 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ncccc1Cl ZINC000334465873 135421777 /nfs/dbraw/zinc/42/17/77/135421777.db2.gz CWFNNARUMMUINR-SCZZXKLOSA-N 0 0 249.701 2.157 10 30 BEEERN C#CCNC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000048389352 135461780 /nfs/dbraw/zinc/46/17/80/135461780.db2.gz SIFHWJLUCIUTNE-LLVKDONJSA-N 0 0 230.311 2.242 10 30 BEEERN C=CCCCN(C)C(=O)C1=COCCC1 ZINC000135085282 135552796 /nfs/dbraw/zinc/55/27/96/135552796.db2.gz DHBTYDMAFPYWDM-UHFFFAOYSA-N 0 0 209.289 2.105 10 30 BEEERN CC1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000091973407 135568754 /nfs/dbraw/zinc/56/87/54/135568754.db2.gz WJEJUGUMIWCMTR-RYUDHWBXSA-N 0 0 235.331 2.120 10 30 BEEERN C=CCSCCNC(=O)OC(C)C ZINC000231939591 135642367 /nfs/dbraw/zinc/64/23/67/135642367.db2.gz MQMNZCNBFAGBOK-UHFFFAOYSA-N 0 0 203.307 2.040 10 30 BEEERN CC1=CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000335156411 135914096 /nfs/dbraw/zinc/91/40/96/135914096.db2.gz QPLYNBAIFAKATR-VXGBXAGGSA-N 0 0 233.315 2.040 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC000335548238 136097469 /nfs/dbraw/zinc/09/74/69/136097469.db2.gz NELGPAXKZMNFDP-ZYHUDNBSSA-N 0 0 232.327 2.375 10 30 BEEERN CC(=O)Nc1cccc(NC(=O)[C@H](C)CC#N)c1 ZINC000049832167 397921809 /nfs/dbraw/zinc/92/18/09/397921809.db2.gz FYJKRVRCCLQTTO-SECBINFHSA-N 0 0 245.282 2.133 10 30 BEEERN N#CCOc1c(Br)cccc1C=O ZINC000042412116 398014812 /nfs/dbraw/zinc/01/48/12/398014812.db2.gz NUFAWLWUOOBLJD-UHFFFAOYSA-N 0 0 240.056 2.164 10 30 BEEERN N#C[C@H](N)c1csc(C(F)(F)F)c1 ZINC000259677618 397981890 /nfs/dbraw/zinc/98/18/90/397981890.db2.gz RWUGVSZRKSDDGG-YFKPBYRVSA-N 0 0 206.192 2.290 10 30 BEEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1O ZINC000061891090 398107811 /nfs/dbraw/zinc/10/78/11/398107811.db2.gz IRMLBABOBVKWDT-RYUDHWBXSA-N 0 0 246.310 2.183 10 30 BEEERN COc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1O ZINC000061891089 398108095 /nfs/dbraw/zinc/10/80/95/398108095.db2.gz IRMLBABOBVKWDT-NWDGAFQWSA-N 0 0 246.310 2.183 10 30 BEEERN CN(Cc1ccccc1)c1snc(N)c1C#N ZINC000234309342 398112143 /nfs/dbraw/zinc/11/21/43/398112143.db2.gz MKLSEXAFARWJQB-UHFFFAOYSA-N 0 0 244.323 2.233 10 30 BEEERN CCOC(=O)Cc1c(OC)ccc(C#N)c1CC ZINC000575387982 398132855 /nfs/dbraw/zinc/13/28/55/398132855.db2.gz GVBRBGCFNDPXRR-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN CC(C)N[C@@](C)(C#N)CC[NH+]1CCCCC1 ZINC000045179411 167137169 /nfs/dbraw/zinc/13/71/69/167137169.db2.gz PLMWGXHXCVFDLV-CYBMUJFWSA-N 0 0 223.364 2.143 10 30 BEEERN C#C/C=C1\C[C@@H](Cc2ccccc2)C(=O)O1 ZINC000013526892 166108748 /nfs/dbraw/zinc/10/87/48/166108748.db2.gz AMHHHAMGMRFXJW-FIKOHSHLSA-N 0 0 212.248 2.309 10 30 BEEERN N#Cc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1F ZINC000335284121 410331086 /nfs/dbraw/zinc/33/10/86/410331086.db2.gz COALGNNEGCBXGU-OCCSQVGLSA-N 0 0 243.285 2.479 10 30 BEEERN C#CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000071624667 166205952 /nfs/dbraw/zinc/20/59/52/166205952.db2.gz JGDWMYNRMVUNMO-SNVBAGLBSA-N 0 0 209.289 2.409 10 30 BEEERN C#CCn1cnc(-c2ccc(F)c(C)c2)c1N ZINC000103499903 166208000 /nfs/dbraw/zinc/20/80/00/166208000.db2.gz VBHYVCHHSZEVKH-UHFFFAOYSA-N 0 0 229.258 2.213 10 30 BEEERN C=CCCO[C@H](C)C(=O)N[C@H](C)C(C)C ZINC000125081829 166289567 /nfs/dbraw/zinc/28/95/67/166289567.db2.gz CYLRIAWPSFYQEQ-GHMZBOCLSA-N 0 0 213.321 2.128 10 30 BEEERN C=CCN(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000153835505 166318095 /nfs/dbraw/zinc/31/80/95/166318095.db2.gz PPLVGNMDRSKJQT-LBPRGKRZSA-N 0 0 246.310 2.338 10 30 BEEERN C=CCNC(=NC)C(Cl)(Cl)Cl ZINC000169323751 166349905 /nfs/dbraw/zinc/34/99/05/166349905.db2.gz OQTPSDGHLHBAQB-UHFFFAOYSA-N 0 0 215.511 2.161 10 30 BEEERN C=CCNC(=O)[C@@H](C)Nc1cc(C)ccc1F ZINC000020360172 166382868 /nfs/dbraw/zinc/38/28/68/166382868.db2.gz WBQFRSJLDHDAMC-SNVBAGLBSA-N 0 0 236.290 2.237 10 30 BEEERN C=CCNC(=O)[C@@H](C)Nc1cccc(Cl)c1 ZINC000020313245 166384092 /nfs/dbraw/zinc/38/40/92/166384092.db2.gz XANFBWRLKIQEDO-SECBINFHSA-N 0 0 238.718 2.443 10 30 BEEERN C=CCNC(=O)[C@H](C)Nc1ccccc1Cl ZINC000020311814 166389546 /nfs/dbraw/zinc/38/95/46/166389546.db2.gz NNARJGJDLLZTPS-VIFPVBQESA-N 0 0 238.718 2.443 10 30 BEEERN C=CCOC(=O)c1cnc(Cl)nc1Cl ZINC000197328363 166413182 /nfs/dbraw/zinc/41/31/82/166413182.db2.gz OJTTUDDOOAZZGA-UHFFFAOYSA-N 0 0 233.054 2.126 10 30 BEEERN C=CCOc1cc(CO)cc2occc21 ZINC000073739679 166422879 /nfs/dbraw/zinc/42/28/79/166422879.db2.gz VEKXNOZYNLJNCB-UHFFFAOYSA-N 0 0 204.225 2.490 10 30 BEEERN CC(C)(C)NC(=O)CO/N=C/c1cccs1 ZINC000036704194 166614980 /nfs/dbraw/zinc/61/49/80/166614980.db2.gz PUJUHCFBHSUNFD-KPKJPENVSA-N 0 0 240.328 2.013 10 30 BEEERN CC(C)(C)OC(=O)Nc1ccncc1/C=N/O ZINC000095642519 166670730 /nfs/dbraw/zinc/67/07/30/166670730.db2.gz ALSNIZDZQRKBMU-NTUHNPAUSA-N 0 0 237.259 2.237 10 30 BEEERN CC(C)CN(CCC#N)Cc1cccnc1C#N ZINC000061659134 166953260 /nfs/dbraw/zinc/95/32/60/166953260.db2.gz SKLRPOYDYNBVCE-UHFFFAOYSA-N 0 0 242.326 2.325 10 30 BEEERN CC(C)NC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000040220726 167075460 /nfs/dbraw/zinc/07/54/60/167075460.db2.gz IZEJXDIXKKPJIO-NSHDSACASA-N 0 0 223.320 2.166 10 30 BEEERN CC(C)N[C@@H](C#N)c1ccc(N(C)C)cc1 ZINC000020174584 167129056 /nfs/dbraw/zinc/12/90/56/167129056.db2.gz BBNIOWAAOHOYQJ-ZDUSSCGKSA-N 0 0 217.316 2.315 10 30 BEEERN CC(C)OCc1ccc(F)cc1C#CCCO ZINC000049621003 167271719 /nfs/dbraw/zinc/27/17/19/167271719.db2.gz AUKNGCRJRWMMGB-UHFFFAOYSA-N 0 0 236.286 2.485 10 30 BEEERN CC(C)Oc1ccc(N2C[C@H](C#N)CC2=O)cc1 ZINC000011894349 167295393 /nfs/dbraw/zinc/29/53/93/167295393.db2.gz XHAWHJUFAYTZHM-NSHDSACASA-N 0 0 244.294 2.350 10 30 BEEERN CC(C)[C@@H](C#N)C(=O)N(C)Cc1ccoc1 ZINC000044824372 167340899 /nfs/dbraw/zinc/34/08/99/167340899.db2.gz YGQKALZGGYXVRT-LLVKDONJSA-N 0 0 220.272 2.034 10 30 BEEERN C#C[C@H](CC)Nc1nsnc1Cl ZINC000230020879 411181853 /nfs/dbraw/zinc/18/18/53/411181853.db2.gz VFYLIPSHWWXMCK-RXMQYKEDSA-N 0 0 201.682 2.015 10 30 BEEERN CC(Nc1ccccc1)=C1C(=O)C=C(C)OC1=O ZINC000103171898 168091334 /nfs/dbraw/zinc/09/13/34/168091334.db2.gz WYTFRQXAGBYRJN-JLHYYAGUSA-N 0 0 243.262 2.402 10 30 BEEERN CC1CCC(Nc2ccc(C#N)nn2)CC1 ZINC000301845816 168165081 /nfs/dbraw/zinc/16/50/81/168165081.db2.gz TVTDWKAYRSXLMN-UHFFFAOYSA-N 0 0 216.288 2.339 10 30 BEEERN CCC(=O)Nc1ccc(C)c(C#CCCO)c1 ZINC000104056691 168244564 /nfs/dbraw/zinc/24/45/64/168244564.db2.gz GERXGEAJDICVPA-UHFFFAOYSA-N 0 0 231.295 2.077 10 30 BEEERN CCC(=O)[C@H](C#N)c1cccc(OC)c1 ZINC000040907836 168252179 /nfs/dbraw/zinc/25/21/79/168252179.db2.gz IQXQXVPFBOHKEH-LLVKDONJSA-N 0 0 203.241 2.281 10 30 BEEERN CCNc1cc(CN(C)C[C@H](C)C#N)ccn1 ZINC000052725148 170172468 /nfs/dbraw/zinc/17/24/68/170172468.db2.gz DUPZVGHIRHFJOB-LLVKDONJSA-N 0 0 232.331 2.105 10 30 BEEERN CCNc1ccc(C)cc1C(=O)N(C)CCC#N ZINC000052999931 170173335 /nfs/dbraw/zinc/17/33/35/170173335.db2.gz WPXFOUBGZRCSSL-UHFFFAOYSA-N 0 0 245.326 2.413 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1ccc(C)c(OC)c1 ZINC000061613875 170244326 /nfs/dbraw/zinc/24/43/26/170244326.db2.gz KIYPIXUIAPZWNN-NSHDSACASA-N 0 0 233.267 2.174 10 30 BEEERN CCOC(=O)[C@H](C#N)c1ccccc1CC ZINC000039101998 170264014 /nfs/dbraw/zinc/26/40/14/170264014.db2.gz UEHBXIDBYDPONT-GFCCVEGCSA-N 0 0 217.268 2.419 10 30 BEEERN CCOC1=C(Br)C(=O)CCC1 ZINC000034485145 170320156 /nfs/dbraw/zinc/32/01/56/170320156.db2.gz AWLXCIUTVIJNGA-UHFFFAOYSA-N 0 0 219.078 2.382 10 30 BEEERN CCOC1=NC(C#N)(C#N)CC=C1C(C)C ZINC000039100336 170321004 /nfs/dbraw/zinc/32/10/04/170321004.db2.gz LWNUTPDAGIVKFI-UHFFFAOYSA-N 0 0 217.272 2.193 10 30 BEEERN CCOc1cc(-c2cccc(C#N)c2)cnn1 ZINC000013673527 170515885 /nfs/dbraw/zinc/51/58/85/170515885.db2.gz SRSOXFDMBKXWTF-UHFFFAOYSA-N 0 0 225.251 2.414 10 30 BEEERN CC[C@@H](C#N)Nc1ccc(F)c(C#N)c1 ZINC000051636478 170660425 /nfs/dbraw/zinc/66/04/25/170660425.db2.gz RGTJALAZIATOKY-VIFPVBQESA-N 0 0 203.220 2.411 10 30 BEEERN CC[C@@H]1CC[C@@H](C#N)[C@H](n2cnc(C#N)n2)C1 ZINC000061842192 171026999 /nfs/dbraw/zinc/02/69/99/171026999.db2.gz BEHYBWVQLNXCQQ-OUAUKWLOSA-N 0 0 229.287 2.041 10 30 BEEERN CC[C@@H]1CO[C@H](C)CN1[C@@H]1CCC[C@@H]1C#N ZINC000042450706 171113401 /nfs/dbraw/zinc/11/34/01/171113401.db2.gz HINXCFMLXIDZPH-FDYHWXHSSA-N 0 0 222.332 2.178 10 30 BEEERN CC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233914525 171142843 /nfs/dbraw/zinc/14/28/43/171142843.db2.gz FWCIGMVIHHIEQU-HTQZYQBOSA-N 0 0 232.243 2.072 10 30 BEEERN CC[C@H](N=C(NC#N)Nc1ccncc1)C(C)C ZINC000013232846 171217771 /nfs/dbraw/zinc/21/77/71/171217771.db2.gz FGHNMXDJYUNDMK-LBPRGKRZSA-N 0 0 245.330 2.355 10 30 BEEERN CC[C@H](C)CSc1cnc(C#N)cn1 ZINC000126888042 171293586 /nfs/dbraw/zinc/29/35/86/171293586.db2.gz APPHSUDRJRHAPB-QMMMGPOBSA-N 0 0 207.302 2.486 10 30 BEEERN CC[C@H](C)N(CCOC)Cc1cccnc1C#N ZINC000061664498 171314819 /nfs/dbraw/zinc/31/48/19/171314819.db2.gz SSZNJVZBJNAZDS-LBPRGKRZSA-N 0 0 247.342 2.200 10 30 BEEERN CC[C@H](C)N[C@@H](C#N)c1ccc2c(c1)OCCO2 ZINC000038064447 171345285 /nfs/dbraw/zinc/34/52/85/171345285.db2.gz AJBOGXQCFCQTCI-JQWIXIFHSA-N 0 0 246.310 2.411 10 30 BEEERN CCc1nc(N)c(C#N)c(-c2ccc[nH]2)c1C ZINC000035296401 171995628 /nfs/dbraw/zinc/99/56/28/171995628.db2.gz BELZXUNCHWFEKP-UHFFFAOYSA-N 0 0 226.283 2.401 10 30 BEEERN CCn1c2ccccc2nc1CNC[C@H](C)C#N ZINC000052684658 172144691 /nfs/dbraw/zinc/14/46/91/172144691.db2.gz YRQUWOLYJHEMTP-LLVKDONJSA-N 0 0 242.326 2.305 10 30 BEEERN CN(C(=O)c1ccc(C#N)nc1)c1ccccc1 ZINC000115008015 172338421 /nfs/dbraw/zinc/33/84/21/172338421.db2.gz CKFJTRMKKLIOGN-UHFFFAOYSA-N 0 0 237.262 2.230 10 30 BEEERN CN(C)/C=N/c1nc2c(s1)CCCC2 ZINC000057557673 172352545 /nfs/dbraw/zinc/35/25/45/172352545.db2.gz AOYMSPHJAIUNCS-YRNVUSSQSA-N 0 0 209.318 2.243 10 30 BEEERN CN1CC[C@](C#N)(Nc2ccccc2Cl)C1 ZINC000061990909 173162952 /nfs/dbraw/zinc/16/29/52/173162952.db2.gz LHHZTAOVLMOTQC-GFCCVEGCSA-N 0 0 235.718 2.350 10 30 BEEERN CNC1=C(C(=O)C(F)(F)F)CCCC1 ZINC000039055416 173322069 /nfs/dbraw/zinc/32/20/69/173322069.db2.gz CQKRIGGJCUBDMI-UHFFFAOYSA-N 0 0 207.195 2.165 10 30 BEEERN CN[C@@H](C#N)c1ccc(Br)cc1 ZINC000020176203 173410790 /nfs/dbraw/zinc/41/07/90/173410790.db2.gz RDUASBPVJQSZSM-VIFPVBQESA-N 0 0 225.089 2.233 10 30 BEEERN CN[C@@]1(C#N)CCSc2ccccc21 ZINC000020378807 173440517 /nfs/dbraw/zinc/44/05/17/173440517.db2.gz GAQDAKRTFIUITC-LLVKDONJSA-N 0 0 204.298 2.121 10 30 BEEERN CN[C@@](C)(C#N)Cn1cc(-c2ccccc2)cn1 ZINC000054961809 173440539 /nfs/dbraw/zinc/44/05/39/173440539.db2.gz YMYLPHGQZSWBCO-AWEZNQCLSA-N 0 0 240.310 2.052 10 30 BEEERN CN[C@H](C#N)c1ccc(Br)cc1F ZINC000036670333 173442464 /nfs/dbraw/zinc/44/24/64/173442464.db2.gz FMCHPOBQMSJFGY-SECBINFHSA-N 0 0 243.079 2.372 10 30 BEEERN COC(=O)c1ccc(N=NC(C)C)cc1 ZINC000039086961 173884588 /nfs/dbraw/zinc/88/45/88/173884588.db2.gz SXGTTYRVBUAWPX-UHFFFAOYSA-N 0 0 206.245 2.281 10 30 BEEERN COC(=O)c1cccc2c(CC#N)c[nH]c21 ZINC000000491412 173897091 /nfs/dbraw/zinc/89/70/91/173897091.db2.gz AEAVORAMLPFFTE-UHFFFAOYSA-N 0 0 214.224 2.021 10 30 BEEERN COCC(=O)[C@@H](C#N)c1cccc(Cl)c1 ZINC000059493573 174062989 /nfs/dbraw/zinc/06/29/89/174062989.db2.gz MPWFCKQYVYPOCT-JTQLQIEISA-N 0 0 223.659 2.163 10 30 BEEERN COCCC(=O)[C@@H](C#N)c1cccc(C)c1 ZINC000049816241 174138378 /nfs/dbraw/zinc/13/83/78/174138378.db2.gz DONRTYOFLPUPRI-LBPRGKRZSA-N 0 0 217.268 2.208 10 30 BEEERN COCCCOCc1ccc(C#N)cc1F ZINC000037747278 174255291 /nfs/dbraw/zinc/25/52/91/174255291.db2.gz CMXIGXFGMCOWOW-UHFFFAOYSA-N 0 0 223.247 2.250 10 30 BEEERN COCCN(CCC#N)[C@H](C)c1cccc(N)c1 ZINC000071221839 174290057 /nfs/dbraw/zinc/29/00/57/174290057.db2.gz BEIMOAILBHNSAT-GFCCVEGCSA-N 0 0 247.342 2.192 10 30 BEEERN COCCN(c1nc(C)cc(C)c1C#N)C1CC1 ZINC000042519430 174302567 /nfs/dbraw/zinc/30/25/67/174302567.db2.gz DLZXCJHLCGWFMZ-UHFFFAOYSA-N 0 0 245.326 2.185 10 30 BEEERN COCCN[C@@]1(C#N)C[C@@H](C)CC(C)(C)C1 ZINC000053256373 174339163 /nfs/dbraw/zinc/33/91/63/174339163.db2.gz TZNYWEARRHETJD-AAEUAGOBSA-N 0 0 224.348 2.331 10 30 BEEERN COCCN[C@H](C#N)c1ccc(OC(C)C)cc1 ZINC000020176542 174339524 /nfs/dbraw/zinc/33/95/24/174339524.db2.gz YIWGZULBHWMQPI-CQSZACIVSA-N 0 0 248.326 2.274 10 30 BEEERN CO[C@@H]1CCC[C@H](Nc2ccc(C#N)nc2)C1 ZINC000301770015 174751946 /nfs/dbraw/zinc/75/19/46/174751946.db2.gz JFPNWPSQJSEGFD-GXFFZTMASA-N 0 0 231.299 2.323 10 30 BEEERN COc1cc2c(cc1O)C(=O)C(C)=C(C)C2=O ZINC000001653280 175022066 /nfs/dbraw/zinc/02/20/66/175022066.db2.gz OKQHALFWPGADEU-UHFFFAOYSA-N 0 0 232.235 2.116 10 30 BEEERN COc1cc2ccnc(C#N)c2cc1OC ZINC000048520925 175027394 /nfs/dbraw/zinc/02/73/94/175027394.db2.gz JWFZIKVNGNGVEI-UHFFFAOYSA-N 0 0 214.224 2.124 10 30 BEEERN COc1ccc(C)c2c(N)c(C#N)cnc12 ZINC000050842353 175070810 /nfs/dbraw/zinc/07/08/10/175070810.db2.gz TYVFQDQDMHLILR-UHFFFAOYSA-N 0 0 213.240 2.006 10 30 BEEERN COc1ccc(CC(C#N)C#N)cc1C ZINC000039090668 175087709 /nfs/dbraw/zinc/08/77/09/175087709.db2.gz FXEFEWVKZPWEIL-UHFFFAOYSA-N 0 0 200.241 2.209 10 30 BEEERN COc1ccc(NC(=O)[C@@H](C)C#N)cc1C ZINC000044825734 175144130 /nfs/dbraw/zinc/14/41/30/175144130.db2.gz DSNQXEKNJPFKDC-VIFPVBQESA-N 0 0 218.256 2.102 10 30 BEEERN COc1ccc(NCCCC#N)c(OC)c1 ZINC000020041075 175151096 /nfs/dbraw/zinc/15/10/96/175151096.db2.gz FTJIVBSFZBMODL-UHFFFAOYSA-N 0 0 220.272 2.419 10 30 BEEERN COc1ccc(OC)c(NCCCC#N)c1 ZINC000020046565 175166828 /nfs/dbraw/zinc/16/68/28/175166828.db2.gz JZJOKLARMSNQHB-UHFFFAOYSA-N 0 0 220.272 2.419 10 30 BEEERN COc1cccc(C[C@@H](CC#N)COC(C)=O)c1 ZINC000077269890 175270940 /nfs/dbraw/zinc/27/09/40/175270940.db2.gz KZXGRAUCLFBPNH-CYBMUJFWSA-N 0 0 247.294 2.331 10 30 in-vitro BEEERN COc1cccc(NC(=O)[C@H](C)CC#N)c1 ZINC000049816597 175277258 /nfs/dbraw/zinc/27/72/58/175277258.db2.gz WFCYZUZNCMOBMM-SECBINFHSA-N 0 0 218.256 2.183 10 30 BEEERN COc1cccc([C@@H](C#N)NC(C)C)c1OC ZINC000020176884 175285970 /nfs/dbraw/zinc/28/59/70/175285970.db2.gz ILGLXVOBOIFHQP-LLVKDONJSA-N 0 0 234.299 2.266 10 30 BEEERN COc1ccccc1C1=CC(=O)C[C@](C)(O)C1 ZINC000040174876 175320587 /nfs/dbraw/zinc/32/05/87/175320587.db2.gz CZXLICIDLJEOHD-CQSZACIVSA-N 0 0 232.279 2.193 10 30 BEEERN COc1ccccc1N[C@@H](C#N)C1CC1 ZINC000041047367 175338711 /nfs/dbraw/zinc/33/87/11/175338711.db2.gz GEHPSDXLSDGRDW-NSHDSACASA-N 0 0 202.257 2.409 10 30 BEEERN COc1ccccc1Oc1ncc(N)cc1C#N ZINC000037759270 175342473 /nfs/dbraw/zinc/34/24/73/175342473.db2.gz OQCWIZKOUMQXFA-UHFFFAOYSA-N 0 0 241.250 2.336 10 30 BEEERN COc1nc(Oc2ccc(C#N)cc2)ccc1N ZINC000037068711 175396502 /nfs/dbraw/zinc/39/65/02/175396502.db2.gz HOAHFRMXMJYELH-UHFFFAOYSA-N 0 0 241.250 2.336 10 30 BEEERN C[C@@H](C#N)Cn1cc(Cl)cc(Cl)c1=O ZINC000057833861 175597022 /nfs/dbraw/zinc/59/70/22/175597022.db2.gz GTUZSCORHDGGBU-LURJTMIESA-N 0 0 231.082 2.315 10 30 BEEERN C[C@@H](C#N)NCc1ccc(F)c(Cl)c1 ZINC000053157085 175598337 /nfs/dbraw/zinc/59/83/37/175598337.db2.gz OMPUJGVJHPQYAU-ZETCQYMHSA-N 0 0 212.655 2.481 10 30 BEEERN C[C@@H](CC#N)Nc1ccc2c(c1)OCCO2 ZINC000032013264 175638977 /nfs/dbraw/zinc/63/89/77/175638977.db2.gz RZUKKLUROKKKAJ-VIFPVBQESA-N 0 0 218.256 2.172 10 30 BEEERN C[C@@H](Oc1cccc(C#N)c1)C(=O)NC(C)(C)C ZINC000007770228 176004477 /nfs/dbraw/zinc/00/44/77/176004477.db2.gz YBWDCCOCJQCSCI-SNVBAGLBSA-N 0 0 246.310 2.240 10 30 BEEERN C[C@@H]1CCCC[C@@H]1N(C)c1nccnc1C#N ZINC000054379395 176079125 /nfs/dbraw/zinc/07/91/25/176079125.db2.gz KDYDRCLGGZXOBT-PWSUYJOCSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)cc2)O1 ZINC000124836223 176196155 /nfs/dbraw/zinc/19/61/55/176196155.db2.gz RQXHGNOJVINRNM-SKDRFNHKSA-N 0 0 230.267 2.064 10 30 BEEERN C[C@@H]1CN([C@@H]2CCCC[C@@H]2C#N)[C@H](C)CO1 ZINC000035784581 176315628 /nfs/dbraw/zinc/31/56/28/176315628.db2.gz IXTCNBQHCLXJPO-FDYHWXHSSA-N 0 0 222.332 2.178 10 30 BEEERN C[C@@H]1CN([C@@H]2CCCCC[C@@H]2C#N)CCO1 ZINC000037145853 176315771 /nfs/dbraw/zinc/31/57/71/176315771.db2.gz ZYEGYSKBJIIDGK-JHJVBQTASA-N 0 0 222.332 2.180 10 30 BEEERN C[C@@H]1CN=C(Nc2ccc(Cl)cn2)S1 ZINC000020354400 176323288 /nfs/dbraw/zinc/32/32/88/176323288.db2.gz SFTSJXHHDYYIAK-ZCFIWIBFSA-N 0 0 227.720 2.447 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)/C=C/c1ccccc1C#N ZINC000171058009 176398946 /nfs/dbraw/zinc/39/89/46/176398946.db2.gz NNUAZAOZXATOBF-BGLVSGNDSA-N 0 0 226.279 2.096 10 30 BEEERN C[C@H](C#N)CC(=O)c1ccc2c(c1)OCO2 ZINC000043368329 176551918 /nfs/dbraw/zinc/55/19/18/176551918.db2.gz USGITYNSSYCGNS-QMMMGPOBSA-N 0 0 217.224 2.148 10 30 BEEERN C[C@H](C#N)Nc1cc(F)c(F)cc1F ZINC000061093806 176555250 /nfs/dbraw/zinc/55/52/50/176555250.db2.gz JVOZBJCCOYHFCF-RXMQYKEDSA-N 0 0 200.163 2.428 10 30 BEEERN C[C@H](C#N)Sc1nc2ccc(N)cc2o1 ZINC000043519230 176555779 /nfs/dbraw/zinc/55/57/79/176555779.db2.gz WPPPFNPMUCCSGZ-ZCFIWIBFSA-N 0 0 219.269 2.414 10 30 BEEERN C[C@H](CC#N)C(=O)Nc1ccc(F)cc1 ZINC000049813340 176596372 /nfs/dbraw/zinc/59/63/72/176596372.db2.gz XAJBAOCVNHNKJX-MRVPVSSYSA-N 0 0 206.220 2.314 10 30 BEEERN C[C@H](Nc1ccc(C#N)cc1)c1cc[nH]n1 ZINC000037906589 176932169 /nfs/dbraw/zinc/93/21/69/176932169.db2.gz USCLRIVKGWIPMV-VIFPVBQESA-N 0 0 212.256 2.454 10 30 BEEERN C[C@H](Nc1ccccc1C#N)C(=O)NC(C)(C)C ZINC000020314750 176936384 /nfs/dbraw/zinc/93/63/84/176936384.db2.gz OECLPXZXYYQANV-JTQLQIEISA-N 0 0 245.326 2.273 10 30 BEEERN C[C@H]1CCCN1c1ccc(C#N)cc1N ZINC000037910172 177112330 /nfs/dbraw/zinc/11/23/30/177112330.db2.gz SBQCLPKZRJLCCI-VIFPVBQESA-N 0 0 201.273 2.129 10 30 BEEERN C[C@@H]1COC[C@H](C)N1Cc1ccccc1C#N ZINC000077368364 177298685 /nfs/dbraw/zinc/29/86/85/177298685.db2.gz GEXPRLMODCOTFR-TXEJJXNPSA-N 0 0 230.311 2.167 10 30 BEEERN C[C@H]1C[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000075981700 177347352 /nfs/dbraw/zinc/34/73/52/177347352.db2.gz QXXUGQXNZRNRJA-GWCFXTLKSA-N 0 0 243.310 2.108 10 30 BEEERN C[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000123123786 177350822 /nfs/dbraw/zinc/35/08/22/177350822.db2.gz YGDNNQYOLJNQJM-XVKPBYJWSA-N 0 0 217.228 2.287 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1ccc(F)cc1C#N ZINC000134402636 177408639 /nfs/dbraw/zinc/40/86/39/177408639.db2.gz FXWQSVKPFITMBW-LDYMZIIASA-N 0 0 220.247 2.287 10 30 BEEERN C[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)C(C)(C)C ZINC000399071669 262775183 /nfs/dbraw/zinc/77/51/83/262775183.db2.gz OPHFPCNTGWBMRO-MXWKQRLJSA-N 0 0 222.332 2.477 10 30 BEEERN C=C[C@H](O)c1ccnn1CCc1ccccc1 ZINC000521400145 262778470 /nfs/dbraw/zinc/77/84/70/262778470.db2.gz CGHGOKSOOYXJIV-AWEZNQCLSA-N 0 0 228.295 2.345 10 30 BEEERN CCC[C@H]1C[C@H]1Nc1cc(C)ncc1C#N ZINC000399462536 266081332 /nfs/dbraw/zinc/08/13/32/266081332.db2.gz QNEVCMWRFQXLAA-GXFFZTMASA-N 0 0 215.300 2.284 10 30 BEEERN C[C@H]1CC[C@H](O)CN1Cc1cccc(C#N)c1F ZINC000399333272 267223965 /nfs/dbraw/zinc/22/39/65/267223965.db2.gz ZGOMMYOAHWGHFK-GWCFXTLKSA-N 0 0 248.301 2.043 10 30 BEEERN C[C@H]1CSC[C@]1(O)c1ccc(C#N)cc1 ZINC000521401500 267895662 /nfs/dbraw/zinc/89/56/62/267895662.db2.gz INJGUVONGVAMMP-JOYOIKCWSA-N 0 0 219.309 2.129 10 30 BEEERN CCOC[C@H](C)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000044726094 269671596 /nfs/dbraw/zinc/67/15/96/269671596.db2.gz NUUIRXLNMWRJHS-VIFPVBQESA-N 0 0 249.270 2.303 10 30 BEEERN CC[C@](C)(C#N)C(=O)NC[C@H](C)C(C)C ZINC000136261118 323031477 /nfs/dbraw/zinc/03/14/77/323031477.db2.gz OQYABFAPYFCDGM-CMPLNLGQSA-N 0 0 210.321 2.335 10 30 BEEERN C=CCN(C)Cc1nnc(-c2ccccc2)n1C ZINC000121144801 324003587 /nfs/dbraw/zinc/00/35/87/324003587.db2.gz LFOKYCBWCRMBLU-UHFFFAOYSA-N 0 0 242.326 2.100 10 30 BEEERN C=CCCCN(C)C(=O)C1(C#N)CC(C)C1 ZINC000124602442 324620458 /nfs/dbraw/zinc/62/04/58/324620458.db2.gz WZUVLUZBCMBWDN-UHFFFAOYSA-N 0 0 220.316 2.351 10 30 BEEERN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000129529525 324957554 /nfs/dbraw/zinc/95/75/54/324957554.db2.gz DSWFKVNVWAUPKC-MFKMUULPSA-N 0 0 244.294 2.373 10 30 BEEERN C=CCCC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000134514846 325362747 /nfs/dbraw/zinc/36/27/47/325362747.db2.gz MTCFLXNSPYKGBN-OLZOCXBDSA-N 0 0 239.359 2.400 10 30 BEEERN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000135131328 325396385 /nfs/dbraw/zinc/39/63/85/325396385.db2.gz FKSWJDMHILCCIF-NTZNESFSSA-N 0 0 225.332 2.008 10 30 BEEERN C=CC[C@@H](C)[C@H](CC1CCC1)S(N)(=O)=O ZINC000584600281 488018252 /nfs/dbraw/zinc/01/82/52/488018252.db2.gz FQGUIFDAZPUIDZ-KOLCDFICSA-N 0 0 231.361 2.046 10 30 BEEERN CO[C@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000301758067 488024879 /nfs/dbraw/zinc/02/48/79/488024879.db2.gz FDVCGNZINIWIBB-RYUDHWBXSA-N 0 0 231.299 2.323 10 30 BEEERN C=CCOCCNc1nccnc1CCC ZINC000663784552 488097107 /nfs/dbraw/zinc/09/71/07/488097107.db2.gz UXQIUABAWLJAHO-UHFFFAOYSA-N 0 0 221.304 2.044 10 30 BEEERN C=C[C@@H](C)NC(=S)N[C@@H](C)C1CCC1 ZINC000757133170 582509785 /nfs/dbraw/zinc/50/97/85/582509785.db2.gz HCUBXNYTGYWAPJ-BDAKNGLRSA-N 0 0 212.362 2.214 10 30 BEEERN C=C[C@H](C)N1C(=S)N=NC1[C@H]1C[C@@H]1C ZINC000757134592 582510852 /nfs/dbraw/zinc/51/08/52/582510852.db2.gz XZCZFKGNMLEPTG-FXQIFTODSA-N 0 0 209.318 2.437 10 30 BEEERN CN[C@@H](C#N)[C@H](C)SCc1occc1C ZINC000757166941 582547523 /nfs/dbraw/zinc/54/75/23/582547523.db2.gz TXUIZOKSNJIGQP-UWVGGRQHSA-N 0 0 224.329 2.321 10 30 BEEERN N#C[C@@H]1O[C@]12CCC[C@@H](C(F)(F)F)C2 ZINC000306673801 582654122 /nfs/dbraw/zinc/65/41/22/582654122.db2.gz ONQPGNJFADNWIU-CSMHCCOUSA-N 0 0 205.179 2.400 10 30 BEEERN C=C(C)[C@]1(O)C(=O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@@H]21 ZINC000203454382 534368452 /nfs/dbraw/zinc/36/84/52/534368452.db2.gz GMEQWOXALWTOIS-CKRXIKOQSA-N 0 0 248.322 2.054 10 30 BEEERN CC(C)(C)OC(=O)NC[C@@H](C=O)CC1CC1 ZINC000098095874 518832091 /nfs/dbraw/zinc/83/20/91/518832091.db2.gz VQIBLZZFDRFZPS-JTQLQIEISA-N 0 0 227.304 2.126 10 30 BEEERN CC(C)(C)OC(=O)NC[C@H](C=O)CC1CC1 ZINC000098095873 518834897 /nfs/dbraw/zinc/83/48/97/518834897.db2.gz VQIBLZZFDRFZPS-SNVBAGLBSA-N 0 0 227.304 2.126 10 30 BEEERN C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CCC(=C)[C@H]21 ZINC000253389065 534450131 /nfs/dbraw/zinc/45/01/31/534450131.db2.gz FKBUODICGDOIGB-WPLOAARJSA-N 0 0 248.322 2.211 10 30 biogenic BEEERN C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@H](O)CCC(=C)[C@H]21 ZINC000238770330 534450375 /nfs/dbraw/zinc/45/03/75/534450375.db2.gz FKBUODICGDOIGB-FTQJZPFOSA-N 0 0 248.322 2.211 10 30 biogenic BEEERN C=CC(C)(C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000336239043 534494632 /nfs/dbraw/zinc/49/46/32/534494632.db2.gz PDRJHDADKGWSCJ-RYUDHWBXSA-N 0 0 237.343 2.369 10 30 BEEERN C=C[C@H](C)c1noc([C@@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC000333648028 534673287 /nfs/dbraw/zinc/67/32/87/534673287.db2.gz JJBDRQCNLQMGSO-AXTSPUMRSA-N 0 0 232.283 2.442 10 30 BEEERN C=CCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000076946554 534701921 /nfs/dbraw/zinc/70/19/21/534701921.db2.gz KSWRSUVRJNXNCE-RYUDHWBXSA-N 0 0 240.347 2.162 10 30 BEEERN CC#CCN1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000121339858 534709488 /nfs/dbraw/zinc/70/94/88/534709488.db2.gz PXRCVEAHXWIJDM-GFCCVEGCSA-N 0 0 237.343 2.206 10 30 BEEERN CC#CCNC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000121529021 534715561 /nfs/dbraw/zinc/71/55/61/534715561.db2.gz XBZQVZLRUFPLER-UHFFFAOYSA-N 0 0 244.269 2.369 10 30 BEEERN Cc1ccc(C2=CC(=O)C[C@](C)(O)C2)c(C)n1 ZINC000040538556 524231410 /nfs/dbraw/zinc/23/14/10/524231410.db2.gz WHFJHEMDVSMOPC-CQSZACIVSA-N 0 0 231.295 2.196 10 30 BEEERN C=CCN(CCO)c1ccc(C#N)c(Cl)c1 ZINC000135510514 534832863 /nfs/dbraw/zinc/83/28/63/534832863.db2.gz OGIULHCYFUHVMT-UHFFFAOYSA-N 0 0 236.702 2.196 10 30 BEEERN C=CCN(CCO)c1nc2ccccc2s1 ZINC000078428942 534833967 /nfs/dbraw/zinc/83/39/67/534833967.db2.gz HSUNGHPABTUHNC-UHFFFAOYSA-N 0 0 234.324 2.281 10 30 BEEERN C=CCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000021695361 534855919 /nfs/dbraw/zinc/85/59/19/534855919.db2.gz NOMPIPLWSADUBI-UHFFFAOYSA-N 0 0 219.259 2.160 10 30 BEEERN CC(C)(C#N)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000336005884 534999283 /nfs/dbraw/zinc/99/92/83/534999283.db2.gz KRHFVBPVJOPWTP-VXGBXAGGSA-N 0 0 234.343 2.322 10 30 BEEERN CC1(NC(=O)N[C@@H]2CCC[C@@H]2C#N)CCCC1 ZINC000336030680 535181897 /nfs/dbraw/zinc/18/18/97/535181897.db2.gz SZDNKNXQYKIBCC-GHMZBOCLSA-N 0 0 235.331 2.311 10 30 BEEERN CC1(C)CC[C@H](n2cc(C#N)ccc2=O)C1 ZINC000335303441 535329295 /nfs/dbraw/zinc/32/92/95/535329295.db2.gz VVWITZIKMUZERX-NSHDSACASA-N 0 0 216.284 2.471 10 30 BEEERN CCc1cccc(CC(=O)N[C@H](C#N)CC)c1 ZINC000121033255 535875336 /nfs/dbraw/zinc/87/53/36/535875336.db2.gz IBWBSHXEQPJYMF-ZDUSSCGKSA-N 0 0 230.311 2.210 10 30 BEEERN O=C(N[C@@H]1CCCNC1=O)C(C1CC1)C1CC1 ZINC000328832106 537970382 /nfs/dbraw/zinc/97/03/82/537970382.db2.gz VPAWTXANQPIBSI-SNVBAGLBSA-N 0 0 236.315 2.498 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330229965 566342495 /nfs/dbraw/zinc/34/24/95/566342495.db2.gz WGEHBOLWDJJWJI-MXWKQRLJSA-N 0 0 238.331 2.000 10 30 BEEERN CC[C@H](C)C[C@]1(CC)O[C@@H]1C(=O)OC ZINC000227517916 566466778 /nfs/dbraw/zinc/46/67/78/566466778.db2.gz UHNLBGLJJVRXEI-NGZCFLSTSA-N 0 0 200.278 2.143 10 30 BEEERN COc1cccc(Nc2c(C#N)c(C)nn2C)c1 ZINC000111355204 588744331 /nfs/dbraw/zinc/74/43/31/588744331.db2.gz COAAESFEYBOTDR-UHFFFAOYSA-N 0 0 242.282 2.352 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1ccccc1F ZINC000234584720 582460237 /nfs/dbraw/zinc/46/02/37/582460237.db2.gz PRDHTHXVWMZBLV-WDEREUQCSA-N 0 0 244.649 2.179 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@]1(C)Cc1ccccc1 ZINC000234588846 582460586 /nfs/dbraw/zinc/46/05/86/582460586.db2.gz QDXVJDQWGFAALA-VXGBXAGGSA-N 0 0 240.686 2.126 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@]1(C)c1ccccc1C ZINC000234591108 582460973 /nfs/dbraw/zinc/46/09/73/582460973.db2.gz LSSUGHNMSXSSLU-VXGBXAGGSA-N 0 0 240.686 2.349 10 30 BEEERN C=C[C@@H](C)N1C(=S)N=NC1[C@H](C)OC ZINC000757126672 582501846 /nfs/dbraw/zinc/50/18/46/582501846.db2.gz AMQKARQVRMPLPP-RQJHMYQMSA-N 0 0 213.306 2.021 10 30 BEEERN C=C[C@@H](C)NC(=S)N[C@H](C)C1CCC1 ZINC000757133175 582509203 /nfs/dbraw/zinc/50/92/03/582509203.db2.gz HCUBXNYTGYWAPJ-RKDXNWHRSA-N 0 0 212.362 2.214 10 30 BEEERN COc1cc(Cl)cc(CS)c1O ZINC000757159727 582541028 /nfs/dbraw/zinc/54/10/28/582541028.db2.gz UZYSSVQDRGDJFK-UHFFFAOYSA-N 0 0 204.678 2.484 10 30 BEEERN O=C(NC1CC(S)C1)OCc1ccccc1 ZINC000757163290 582544620 /nfs/dbraw/zinc/54/46/20/582544620.db2.gz NKZVXZPXMDUPRV-UHFFFAOYSA-N 0 0 237.324 2.374 10 30 BEEERN CCc1ccc(CSC[C@](C)(N)C#N)o1 ZINC000757165532 582546673 /nfs/dbraw/zinc/54/66/73/582546673.db2.gz MBQUEDLNYSJLJV-LLVKDONJSA-N 0 0 224.329 2.316 10 30 BEEERN C[C@@H](SCc1ccc(Cl)o1)[C@@H](N)C#N ZINC000757165616 582547074 /nfs/dbraw/zinc/54/70/74/582547074.db2.gz MLBJRMUULFMRCZ-SVRRBLITSA-N 0 0 230.720 2.406 10 30 BEEERN Cc1nn([C@@H](C)C(F)(F)F)cc1C#N ZINC000757189965 582555830 /nfs/dbraw/zinc/55/58/30/582555830.db2.gz JAPLWCSJBWHSDG-LURJTMIESA-N 0 0 203.167 2.187 10 30 BEEERN C#CC[C@H](OC(=O)CC1CC1)c1ccccn1 ZINC000113662043 588847958 /nfs/dbraw/zinc/84/79/58/588847958.db2.gz MGONENSGCCLSLH-ZDUSSCGKSA-N 0 0 229.279 2.489 10 30 BEEERN C[C@H](CC#N)OC(=O)[C@@H]1CC1(Cl)Cl ZINC000113696054 588850884 /nfs/dbraw/zinc/85/08/84/588850884.db2.gz JFCCLGJAIMGJGP-RITPCOANSA-N 0 0 222.071 2.026 10 30 BEEERN SCc1ccc(Br)cn1 ZINC000147337184 582929329 /nfs/dbraw/zinc/92/93/29/582929329.db2.gz FFFFWZHOEFOQMA-UHFFFAOYSA-N 0 0 204.092 2.274 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000332912547 583303461 /nfs/dbraw/zinc/30/34/61/583303461.db2.gz ZMBWACQNTFMEAR-LOWDOPEQSA-N 0 0 247.342 2.120 10 30 BEEERN C=C(COc1c(F)cccc1F)C(=O)OCC ZINC000130061853 583578998 /nfs/dbraw/zinc/57/89/98/583578998.db2.gz BELVGNDWZAUNPP-UHFFFAOYSA-N 0 0 242.221 2.463 10 30 BEEERN C[C@H](CC#N)N(C)CCSC(F)(F)F ZINC000123452576 583848158 /nfs/dbraw/zinc/84/81/58/583848158.db2.gz WEMTXZPDZGTNOZ-SSDOTTSWSA-N 0 0 226.267 2.473 10 30 BEEERN C#CCSCCNC(=O)CSC(C)(C)C ZINC000130263496 583999532 /nfs/dbraw/zinc/99/95/32/583999532.db2.gz AOHZMHJXRUDUJK-UHFFFAOYSA-N 0 0 245.413 2.001 10 30 BEEERN CCC1CCC(C2COS(=O)(=O)OC2)CC1 ZINC000757192464 586435872 /nfs/dbraw/zinc/43/58/72/586435872.db2.gz NULNXHNNXBGDQX-UHFFFAOYSA-N 0 0 248.344 2.111 10 30 BEEERN C#CC[C@@H](OC(=O)CCC)c1ccccn1 ZINC000105549453 588199825 /nfs/dbraw/zinc/19/98/25/588199825.db2.gz FNRPVDKJUIPCKL-GFCCVEGCSA-N 0 0 217.268 2.489 10 30 BEEERN C#C[C@@H](C)OC(=O)CCO[C@@H](C)CC(C)C ZINC000121582936 588243239 /nfs/dbraw/zinc/24/32/39/588243239.db2.gz RGIMIBOGFRAGKQ-NEPJUHHUSA-N 0 0 226.316 2.393 10 30 BEEERN C#CCCOC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1 ZINC000106986311 588318305 /nfs/dbraw/zinc/31/83/05/588318305.db2.gz VIJBRUSWAIMTPM-KGLIPLIRSA-N 0 0 244.290 2.365 10 30 BEEERN CCCCCCOCC(=O)N[C@H](C#N)C1CC1 ZINC000108832099 588489188 /nfs/dbraw/zinc/48/91/88/588489188.db2.gz WGZPNGJYRQTIOY-GFCCVEGCSA-N 0 0 238.331 2.002 10 30 BEEERN C#C[C@H](Cc1ccccc1)OC(=O)[C@@H]1C[C@H]1C ZINC000120575316 589439440 /nfs/dbraw/zinc/43/94/40/589439440.db2.gz FIFVFCXGVUQDFX-MRVWCRGKSA-N 0 0 228.291 2.430 10 30 BEEERN C#C[C@@H](C)OC(=O)c1cccc(C)c1F ZINC000121073396 589492585 /nfs/dbraw/zinc/49/25/85/589492585.db2.gz ZZZYCQRVGXQGOH-SECBINFHSA-N 0 0 206.216 2.313 10 30 BEEERN C#C[C@@H](C)OC(=O)CCCC[C@@H](C)C(C)=O ZINC000124436288 589990865 /nfs/dbraw/zinc/99/08/65/589990865.db2.gz KUWKSWBKUXFAQG-GHMZBOCLSA-N 0 0 224.300 2.337 10 30 BEEERN C[C@H]1CC[C@H](C(=O)OCc2ccc(C#N)cc2)O1 ZINC000124592357 590060319 /nfs/dbraw/zinc/06/03/19/590060319.db2.gz SLKGIBLHTQKUQM-GXFFZTMASA-N 0 0 245.278 2.169 10 30 BEEERN C#C[C@H](C)OC(=O)c1ccn(C2CCCC2)n1 ZINC000125312650 590160916 /nfs/dbraw/zinc/16/09/16/590160916.db2.gz IFBSBUTVUZPFMK-JTQLQIEISA-N 0 0 232.283 2.177 10 30 BEEERN C#C[C@H](C)OC(=O)c1cc(F)c(C)cc1F ZINC000125929678 590199032 /nfs/dbraw/zinc/19/90/32/590199032.db2.gz GIEYIYSFYXVFCL-QMMMGPOBSA-N 0 0 224.206 2.452 10 30 BEEERN CC1(C)C[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000126576039 590352275 /nfs/dbraw/zinc/35/22/75/590352275.db2.gz UDSXJUXYEMFGOS-NSHDSACASA-N 0 0 246.285 2.360 10 30 BEEERN C=CCC[C@@H](C)OC(=O)c1ccnn1CC ZINC000127414517 590654121 /nfs/dbraw/zinc/65/41/21/590654121.db2.gz QQYMHDPFSURPLG-SNVBAGLBSA-N 0 0 222.288 2.415 10 30 BEEERN C=C[C@@H](CC)OC(=O)c1ccnn1CC ZINC000127470671 590678132 /nfs/dbraw/zinc/67/81/32/590678132.db2.gz FLDITVKAWDMICH-VIFPVBQESA-N 0 0 208.261 2.024 10 30 BEEERN CC[C@@](C)(C#N)NC(=O)CSC(C)(C)C ZINC000127599199 590717842 /nfs/dbraw/zinc/71/78/42/590717842.db2.gz SNIWGBBVVWAZEE-NSHDSACASA-N 0 0 228.361 2.327 10 30 BEEERN C[C@H]1C[C@@H](S)CN1C(=O)OC(C)(C)C ZINC000209900223 590722730 /nfs/dbraw/zinc/72/27/30/590722730.db2.gz HBKAPPHVTBDWEM-JGVFFNPUSA-N 0 0 217.334 2.314 10 30 BEEERN C#C[C@@H](C)OC(=O)c1ccc(C#N)cc1C ZINC000129928683 591422804 /nfs/dbraw/zinc/42/28/04/591422804.db2.gz PDSXLXZGYYSABL-SNVBAGLBSA-N 0 0 213.236 2.045 10 30 BEEERN C[C@H](OC(=O)CC1CCOCC1)C(C)(C)C#N ZINC000130415207 591465821 /nfs/dbraw/zinc/46/58/21/591465821.db2.gz LATOYFGQILNPGZ-JTQLQIEISA-N 0 0 239.315 2.285 10 30 BEEERN CC[C@@H](C#N)OC(=O)c1ccc(C#N)cc1C ZINC000130628576 591488694 /nfs/dbraw/zinc/48/86/94/591488694.db2.gz RWZKVJIKXKDXJC-NSHDSACASA-N 0 0 228.251 2.326 10 30 BEEERN CO[C@@H](C)COC(=O)c1ccc(C#N)cc1C ZINC000130985752 591539712 /nfs/dbraw/zinc/53/97/12/591539712.db2.gz SCTUHTDNJQETHU-JTQLQIEISA-N 0 0 233.267 2.058 10 30 BEEERN C[C@H](OC(=O)C[C@@H]1CCCCO1)C(C)(C)C#N ZINC000131251163 591578684 /nfs/dbraw/zinc/57/86/84/591578684.db2.gz JBRURDFYBPGZJH-QWRGUYRKSA-N 0 0 239.315 2.427 10 30 BEEERN Cc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)n1C ZINC000131373464 591605928 /nfs/dbraw/zinc/60/59/28/591605928.db2.gz ZZIQXQYDVVBUEB-JTQLQIEISA-N 0 0 234.299 2.429 10 30 BEEERN C[C@H](OC(=O)[C@@H]1CC[C@@H](C)O1)C(C)(C)C#N ZINC000131442166 591609919 /nfs/dbraw/zinc/60/99/19/591609919.db2.gz OOLPTYINFAEVIN-UTLUCORTSA-N 0 0 225.288 2.035 10 30 BEEERN C[C@@H](OC(=O)CC[C@@H]1CCOC1)C(C)(C)C#N ZINC000131462629 591610989 /nfs/dbraw/zinc/61/09/89/591610989.db2.gz GOEOISDLAQVXNI-GHMZBOCLSA-N 0 0 239.315 2.285 10 30 BEEERN Cc1cncc(C(=O)O[C@H](C#N)C(C)C)c1 ZINC000132167608 591692564 /nfs/dbraw/zinc/69/25/64/591692564.db2.gz RPILLAGWOIDPJS-LLVKDONJSA-N 0 0 218.256 2.095 10 30 BEEERN C#CC[C@H](OC(=O)CCc1ccccn1)C1CC1 ZINC000132619650 591725174 /nfs/dbraw/zinc/72/51/74/591725174.db2.gz AIUBPTNXQPMSQQ-AWEZNQCLSA-N 0 0 243.306 2.359 10 30 BEEERN C#C[C@@H](OC(=O)Cc1ccc(C)cc1)C1CC1 ZINC000134185046 591899568 /nfs/dbraw/zinc/89/95/68/591899568.db2.gz XRWBKAZKYCFGGF-CQSZACIVSA-N 0 0 228.291 2.493 10 30 BEEERN N#Cc1c(N)ncc2c1CCCCCC2 ZINC000215133962 591926371 /nfs/dbraw/zinc/92/63/71/591926371.db2.gz GVDIPWSGSXZMJZ-UHFFFAOYSA-N 0 0 201.273 2.194 10 30 BEEERN C=CCOC(=O)[C@@H](C)Sc1ccccn1 ZINC000135024878 591972208 /nfs/dbraw/zinc/97/22/08/591972208.db2.gz LXOMRJKYYAXZOX-SECBINFHSA-N 0 0 223.297 2.291 10 30 BEEERN CC(=O)[C@H]1CCCN(c2nccc(C)c2C#N)C1 ZINC000135136803 591991781 /nfs/dbraw/zinc/99/17/81/591991781.db2.gz VFKQUSQMRJEFMZ-LBPRGKRZSA-N 0 0 243.310 2.067 10 30 BEEERN CCC[C@H]1C[C@H]1Nc1cc(C#N)nc(C)n1 ZINC000308261842 631231070 /nfs/dbraw/zinc/23/10/70/631231070.db2.gz MXXUQIIKDGDFSL-GXSJLCMTSA-N 0 0 216.288 2.257 10 30 BEEERN NC(=S)NN=Cc1ccc(-c2ccccc2)o1 ZINC000252602460 632557849 /nfs/dbraw/zinc/55/78/49/632557849.db2.gz FIPAAZKBGLEFFX-UHFFFAOYSA-N 0 0 245.307 2.114 10 30 BEEERN C#C[C@H](OC(=O)Cc1cccc(F)c1)C1CC1 ZINC000179531867 632740691 /nfs/dbraw/zinc/74/06/91/632740691.db2.gz PFECMWRIQKBZBP-ZDUSSCGKSA-N 0 0 232.254 2.323 10 30 BEEERN C[C@H](C#N)NC(=O)/C=C\c1ccccc1Cl ZINC000255849827 632770517 /nfs/dbraw/zinc/77/05/17/632770517.db2.gz YMEVODNNAATPIY-ATJFRQLMSA-N 0 0 234.686 2.381 10 30 BEEERN C=CCCCC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177787834 632883287 /nfs/dbraw/zinc/88/32/87/632883287.db2.gz JHKVMORRAKVSBR-CYBMUJFWSA-N 0 0 247.342 2.230 10 30 BEEERN C=C(Br)COC(=O)[C@H]1CC[C@@H](C)O1 ZINC000178215102 633032434 /nfs/dbraw/zinc/03/24/34/633032434.db2.gz ATLSLSLBAAOLSU-HTQZYQBOSA-N 0 0 249.104 2.006 10 30 BEEERN C=CCOCn1ccc2ccc(N)cc21 ZINC000707339048 633173674 /nfs/dbraw/zinc/17/36/74/633173674.db2.gz JTVVAPVWWNXMSV-UHFFFAOYSA-N 0 0 202.257 2.384 10 30 BEEERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328795134 633841512 /nfs/dbraw/zinc/84/15/12/633841512.db2.gz BXNSZACTWUKVAB-KDXUFGMBSA-N 0 0 210.277 2.106 10 30 BEEERN Cc1nc([C@H](C)NCCO[C@H](C)C#N)cs1 ZINC000309459260 633922824 /nfs/dbraw/zinc/92/28/24/633922824.db2.gz OJHLUOQBGGCUGE-BDAKNGLRSA-N 0 0 239.344 2.031 10 30 BEEERN C=C(COc1ccccc1C#N)C(=O)OCC ZINC000034569240 637087625 /nfs/dbraw/zinc/08/76/25/637087625.db2.gz SVBURZOSEVUNKM-UHFFFAOYSA-N 0 0 231.251 2.056 10 30 BEEERN Cc1ccc(O)cc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000311129730 640118130 /nfs/dbraw/zinc/11/81/30/640118130.db2.gz QPUVOAUBNORZHR-GWCFXTLKSA-N 0 0 244.294 2.123 10 30 BEEERN C#CCN(CC#C)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000075399382 640652349 /nfs/dbraw/zinc/65/23/49/640652349.db2.gz RWCLHXBITWWOBN-GJZGRUSLSA-N 0 0 243.350 2.298 10 30 BEEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000075399379 640652885 /nfs/dbraw/zinc/65/28/85/640652885.db2.gz RWCLHXBITWWOBN-HUUCEWRRSA-N 0 0 243.350 2.298 10 30 BEEERN C#CCOC(=O)c1ccc(CSC)cc1 ZINC000058834134 640747803 /nfs/dbraw/zinc/74/78/03/640747803.db2.gz ZECNHMWSOUOLBC-UHFFFAOYSA-N 0 0 220.293 2.340 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccnc(Cl)c1 ZINC000061890247 641004309 /nfs/dbraw/zinc/00/43/09/641004309.db2.gz KOQPKSCOOUWXNL-ZJUUUORDSA-N 0 0 249.701 2.157 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(Cl)c1 ZINC000061890249 641004511 /nfs/dbraw/zinc/00/45/11/641004511.db2.gz KOQPKSCOOUWXNL-UWVGGRQHSA-N 0 0 249.701 2.157 10 30 BEEERN CC(C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000062211629 641026749 /nfs/dbraw/zinc/02/67/49/641026749.db2.gz XSUKZSFJNJICLJ-NWDGAFQWSA-N 0 0 228.295 2.208 10 30 BEEERN C=C(Cl)CNC(=O)[C@@H]1CCC[C@H]1C ZINC000230166875 641031540 /nfs/dbraw/zinc/03/15/40/641031540.db2.gz SNDRZHVFRZKMNW-VXNVDRBHSA-N 0 0 201.697 2.291 10 30 BEEERN C#CCOC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000174023800 641229845 /nfs/dbraw/zinc/22/98/45/641229845.db2.gz WETUIKCSZFQNFA-VXGBXAGGSA-N 0 0 206.285 2.379 10 30 BEEERN C#Cc1cccc(N(C)C(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000152321961 641558233 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/nfs/dbraw/zinc/70/17/58/958701758.db2.gz NROUCTRWBVLYMV-ZADCQDASSA-N 0 0 232.283 2.388 10 30 BEEERN C=C[C@H](C)OC(=O)c1ccc(C=NOC)cc1 ZINC000588539766 959013673 /nfs/dbraw/zinc/01/36/73/959013673.db2.gz OOXKXBUAIVQOGP-JTQLQIEISA-N 0 0 233.267 2.398 10 30 BEEERN Cc1ccc(C(=O)/C=C\c2cocn2)o1 ZINC000588561429 959175539 /nfs/dbraw/zinc/17/55/39/959175539.db2.gz OALCOPJREBKNAM-ARJAWSKDSA-N 0 0 203.197 2.472 10 30 BEEERN CCN(C[C@@H](C)C#N)C(=O)c1ccc(F)cc1N ZINC000062822787 969872001 /nfs/dbraw/zinc/87/20/01/969872001.db2.gz DVXQVDYCPCVDCF-VIFPVBQESA-N 0 0 249.289 2.030 10 30 BEEERN C#CC[N@@H+](CCC(C)(C)C(=O)[O-])C1CCCC1 ZINC000688850697 976195026 /nfs/dbraw/zinc/19/50/26/976195026.db2.gz VYEUJCZJLSDHCB-UHFFFAOYSA-N 0 0 237.343 2.365 10 30 BEEERN C#C[C@@H]([NH2+]Cc1csc(C(=O)[O-])c1)C(C)C ZINC000689080000 976207350 /nfs/dbraw/zinc/20/73/50/976207350.db2.gz ZQPWQXXATAVOCC-SNVBAGLBSA-N 0 0 237.324 2.194 10 30 BEEERN C#C[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000692336362 976423432 /nfs/dbraw/zinc/42/34/32/976423432.db2.gz ODAGCQSYKSFQDZ-GHMZBOCLSA-N 0 0 247.294 2.384 10 30 BEEERN CC(C)C[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C(=O)[O-] ZINC000695735312 976803224 /nfs/dbraw/zinc/80/32/24/976803224.db2.gz RCCYIIZSQMIIQY-QWRGUYRKSA-N 0 0 240.347 2.404 10 30 BEEERN CC(C)C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C(=O)[O-] ZINC000695735311 976804070 /nfs/dbraw/zinc/80/40/70/976804070.db2.gz RCCYIIZSQMIIQY-MNOVXSKESA-N 0 0 240.347 2.404 10 30 BEEERN C#C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)C(C)(C)C ZINC000702275313 977075054 /nfs/dbraw/zinc/07/50/54/977075054.db2.gz JFIRLRCDIHQRMH-STQMWFEESA-N 0 0 245.322 2.450 10 30 BEEERN C#C[C@H]([NH2+]Cc1ccoc1C(=O)[O-])C(C)(C)C ZINC000702278788 977075347 /nfs/dbraw/zinc/07/53/47/977075347.db2.gz YCLNEZOUKDOMAR-JTQLQIEISA-N 0 0 235.283 2.115 10 30 BEEERN C=CCCC(C)(C)C[NH2+][C@H](C(=O)[O-])C1CC1 ZINC000703956419 977212073 /nfs/dbraw/zinc/21/20/73/977212073.db2.gz ZYFRYGMKLPVUJT-NSHDSACASA-N 0 0 225.332 2.432 10 30 BEEERN C[C@H](CCC#N)[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711618969 977556121 /nfs/dbraw/zinc/55/61/21/977556121.db2.gz CMUHMLGGHJUKRK-WZRBSPASSA-N 0 0 236.315 2.008 10 30 BEEERN C=CCCCCC[NH2+]C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715545930 977767945 /nfs/dbraw/zinc/76/79/45/977767945.db2.gz HFLNGSBTDIAOFV-UWVGGRQHSA-N 0 0 247.285 2.288 10 30 BEEERN COc1ccc(CN[C@H](C)CC#N)cc1OC ZINC000037871476 1170985622 /nfs/dbraw/zinc/98/56/22/1170985622.db2.gz CVUPAAOMFBWSJJ-SNVBAGLBSA-N 0 0 234.299 2.096 10 30 BEEERN C=CCn1cnc(-c2ccccc2)cc1=O ZINC000038518077 1171059170 /nfs/dbraw/zinc/05/91/70/1171059170.db2.gz YWGWHLKSEJESPH-UHFFFAOYSA-N 0 0 212.252 2.096 10 30 BEEERN C=CCOc1cc(OC)ccc1[N+](=O)[O-] ZINC000038524127 1171059996 /nfs/dbraw/zinc/05/99/96/1171059996.db2.gz LSQMELDVAQQMJG-UHFFFAOYSA-N 0 0 209.201 2.168 10 30 BEEERN CC(C)(C)Oc1ccccc1CNC(=O)CC#N ZINC000041569415 1171186822 /nfs/dbraw/zinc/18/68/22/1171186822.db2.gz OGUXEASMQVTZQD-UHFFFAOYSA-N 0 0 246.310 2.394 10 30 BEEERN CC(C)(C)OC(=O)C#C[C@@H]1CSCCS1 ZINC000685953736 538898520 /nfs/dbraw/zinc/89/85/20/538898520.db2.gz PIWMVLDYBXEDGO-SECBINFHSA-N 0 0 244.381 2.180 10 30 BEEERN C#CC(=O)C1(CC=C)CN(C(=O)OC(C)(C)C)C1 ZINC000685958255 538905352 /nfs/dbraw/zinc/90/53/52/538905352.db2.gz BNYVJQJARGSCLY-UHFFFAOYSA-N 0 0 249.310 2.002 10 30 BEEERN C=CC(=O)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000685960518 538907505 /nfs/dbraw/zinc/90/75/05/538907505.db2.gz OSIICLGQTPOMLZ-UHFFFAOYSA-N 0 0 225.288 2.045 10 30 BEEERN Cc1cc(CN[C@H]2CCCC[C@H]2C#N)no1 ZINC000054827885 178039756 /nfs/dbraw/zinc/03/97/56/178039756.db2.gz FQUCOXZNEKEIEB-JQWIXIFHSA-N 0 0 219.288 2.155 10 30 BEEERN N#C[C@@H]1CCC[C@H]1Nc1ncc(Cl)cn1 ZINC000308862936 136216940 /nfs/dbraw/zinc/21/69/40/136216940.db2.gz CHLXNOGLUPRHBF-IONNQARKSA-N 0 0 222.679 2.234 10 30 BEEERN N#CCNc1cc(Br)ccc1C#N ZINC000232457412 398180943 /nfs/dbraw/zinc/18/09/43/398180943.db2.gz ZODRIFSDQUWWNZ-UHFFFAOYSA-N 0 0 236.072 2.256 10 30 BEEERN N#CNc1cc(Br)ccc1C#N ZINC000232457236 398180962 /nfs/dbraw/zinc/18/09/62/398180962.db2.gz RJWJABWQXANGAQ-UHFFFAOYSA-N 0 0 222.045 2.214 10 30 BEEERN Cc1cc(Cl)ccc1NC1=NCCO1 ZINC000013858473 178065396 /nfs/dbraw/zinc/06/53/96/178065396.db2.gz ZXWNMFHIJSJMKG-UHFFFAOYSA-N 0 0 210.664 2.256 10 30 BEEERN Cc1cc(Cl)cn2c(CC#N)cnc12 ZINC000082693498 178069692 /nfs/dbraw/zinc/06/96/92/178069692.db2.gz DXEYSFVMAXHTJK-UHFFFAOYSA-N 0 0 205.648 2.362 10 30 BEEERN Cc1cc(F)cc2c(N)c(C#N)cnc12 ZINC000050842332 178079321 /nfs/dbraw/zinc/07/93/21/178079321.db2.gz SURPSINENUUDMZ-UHFFFAOYSA-N 0 0 201.204 2.136 10 30 BEEERN CSCCC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000116804597 136219394 /nfs/dbraw/zinc/21/93/94/136219394.db2.gz HITWYJFPZQRKAL-ZYHUDNBSSA-N 0 0 240.372 2.328 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)Cc1ccc(C#N)cc1 ZINC000231691959 398215322 /nfs/dbraw/zinc/21/53/22/398215322.db2.gz MUICOLGBOCCJSD-KGLIPLIRSA-N 0 0 242.322 2.406 10 30 BEEERN Cc1cc(NC(=O)c2cccc(C#N)c2)on1 ZINC000019515961 178150546 /nfs/dbraw/zinc/15/05/46/178150546.db2.gz NXOBPAWXRPKXMK-UHFFFAOYSA-N 0 0 227.223 2.107 10 30 BEEERN Cc1cc(NCC(C)(C)CO)c(C#N)c(C)n1 ZINC000125088019 178157196 /nfs/dbraw/zinc/15/71/96/178157196.db2.gz MEZIHZOMFUAXEH-UHFFFAOYSA-N 0 0 233.315 2.001 10 30 BEEERN Cc1cc(NC[C@@H](O)C(C)(C)C)cc(C#N)n1 ZINC000308277298 178165071 /nfs/dbraw/zinc/16/50/71/178165071.db2.gz QERZIWLWIZTHDV-GFCCVEGCSA-N 0 0 233.315 2.081 10 30 BEEERN Cc1cc(NC[C@H](C)C[C@@H](C)O)c(C#N)c(C)n1 ZINC000301796743 178169006 /nfs/dbraw/zinc/16/90/06/178169006.db2.gz TZUUAONWYRAJRB-MWLCHTKSSA-N 0 0 247.342 2.389 10 30 BEEERN Cc1cc(OCCCCCO)ccc1C#N ZINC000277392610 178209492 /nfs/dbraw/zinc/20/94/92/178209492.db2.gz CCNMSNKPTRUTEM-UHFFFAOYSA-N 0 0 219.284 2.408 10 30 BEEERN Cc1cc(S[C@@H](C)CO)c(C#N)c(C)n1 ZINC000160756866 178218224 /nfs/dbraw/zinc/21/82/24/178218224.db2.gz JNZGFWRHLOGGJE-QMMMGPOBSA-N 0 0 222.313 2.043 10 30 BEEERN COC(=O)C#Cc1cc2ccccc2s1 ZINC000070835530 361779880 /nfs/dbraw/zinc/77/98/80/361779880.db2.gz PNWHHRUHKYTPAR-UHFFFAOYSA-N 0 0 216.261 2.426 10 30 BEEERN COC(=O)C#Cc1cc(Cl)ccc1F ZINC000070835438 361780149 /nfs/dbraw/zinc/78/01/49/361780149.db2.gz GXCPRRJQUISKRJ-UHFFFAOYSA-N 0 0 212.607 2.004 10 30 BEEERN CCOC(=O)[C@H]1O[C@]1(C)CCCC(F)(F)F ZINC000166775062 538939656 /nfs/dbraw/zinc/93/96/56/538939656.db2.gz BOFSPMWGOVESOL-VXNVDRBHSA-N 0 0 240.221 2.440 10 30 BEEERN COC(=O)[C@]1(C)O[C@@]1(C)CCCC(F)(F)F ZINC000166775729 538939674 /nfs/dbraw/zinc/93/96/74/538939674.db2.gz HAFOAUYHPSBPEN-IUCAKERBSA-N 0 0 240.221 2.440 10 30 BEEERN CCC(CC)CNc1cnc(C#N)cn1 ZINC000128399752 168365888 /nfs/dbraw/zinc/36/58/88/168365888.db2.gz MPBLGCWBISORND-UHFFFAOYSA-N 0 0 204.277 2.196 10 30 BEEERN CCC(CC)N(C)c1ccc(/C(N)=N/O)cc1 ZINC000036789153 168369546 /nfs/dbraw/zinc/36/95/46/168369546.db2.gz RQLLAWPGVWVXSP-UHFFFAOYSA-N 0 0 235.331 2.406 10 30 BEEERN Cc1ccc(N(C)C(=O)[C@H](C)S)cc1 ZINC000235547275 343997589 /nfs/dbraw/zinc/99/75/89/343997589.db2.gz YPCHBEJQSDWMPR-VIFPVBQESA-N 0 0 209.314 2.276 10 30 BEEERN Cc1ccc(C#N)c(OCC2CCOCC2)n1 ZINC000052153991 178365806 /nfs/dbraw/zinc/36/58/06/178365806.db2.gz FWLLXDBJYXNJIZ-UHFFFAOYSA-N 0 0 232.283 2.067 10 30 BEEERN Cc1nnc(Sc2nc(C)ccc2C#N)o1 ZINC000051038078 178366533 /nfs/dbraw/zinc/36/65/33/178366533.db2.gz NFVOIVLXODUVLT-UHFFFAOYSA-N 0 0 232.268 2.104 10 30 BEEERN C=CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000405513007 538960113 /nfs/dbraw/zinc/96/01/13/538960113.db2.gz RZDYJNXZFLDJCR-UWVGGRQHSA-N 0 0 239.315 2.245 10 30 BEEERN C=C(C)C(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC000405713746 538960653 /nfs/dbraw/zinc/96/06/53/538960653.db2.gz JJPNRWNTMMFCHF-UHFFFAOYSA-N 0 0 239.315 2.437 10 30 BEEERN C=CC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000405823718 538961225 /nfs/dbraw/zinc/96/12/25/538961225.db2.gz YEYLYGCZQLOUBC-NXEZZACHSA-N 0 0 239.315 2.435 10 30 BEEERN C=CCCC[C@H](C)NC(=O)[C@@H](C)COC ZINC000182583279 538963953 /nfs/dbraw/zinc/96/39/53/538963953.db2.gz VNLOHYVGYASUQX-QWRGUYRKSA-N 0 0 213.321 2.130 10 30 BEEERN C=CC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000405879772 538961530 /nfs/dbraw/zinc/96/15/30/538961530.db2.gz WYCIQWRCELFLDR-UHFFFAOYSA-N 0 0 225.288 2.189 10 30 BEEERN CS/C(=N/C#N)NCc1cccs1 ZINC000004382632 342747538 /nfs/dbraw/zinc/74/75/38/342747538.db2.gz ISEUMYDZLFQNNQ-UHFFFAOYSA-N 0 0 211.315 2.038 10 30 BEEERN Cn1c(/C=N/c2ccccc2)ncc1[N+](=O)[O-] ZINC000005116530 342758293 /nfs/dbraw/zinc/75/82/93/342758293.db2.gz RQBDVCWIRHAMMD-KPKJPENVSA-N 0 0 230.227 2.079 10 30 BEEERN COC(C/N=C/c1ccc(C)cc1)OC ZINC000005380225 342762829 /nfs/dbraw/zinc/76/28/29/342762829.db2.gz WKMBADJHEKNTCX-MDWZMJQESA-N 0 0 207.273 2.033 10 30 BEEERN CCO[P@](=O)(CCC=O)c1ccccc1 ZINC000005862384 342770908 /nfs/dbraw/zinc/77/09/08/342770908.db2.gz NULHWQZPYWXJLF-OAHLLOKOSA-N 0 0 226.212 2.216 10 30 BEEERN N#CCc1cc(=O)c(OCc2ccccc2)co1 ZINC000148574174 342791771 /nfs/dbraw/zinc/79/17/71/342791771.db2.gz XGGYVCCTLDHJEV-UHFFFAOYSA-N 0 0 241.246 2.285 10 30 BEEERN CC#Cc1ncnc(Oc2ccccc2)c1N ZINC000149472436 342793895 /nfs/dbraw/zinc/79/38/95/342793895.db2.gz DSQVUEVFRFUXBD-UHFFFAOYSA-N 0 0 225.251 2.223 10 30 BEEERN N#CCC[C@H]1CCc2cccnc2C1=O ZINC000144010972 361988039 /nfs/dbraw/zinc/98/80/39/361988039.db2.gz ADTZNJLIVFUXMP-JTQLQIEISA-N 0 0 200.241 2.130 10 30 BEEERN Cc1cc(Cl)c2ccnc(C(N)=NO)c2c1 ZINC000521401539 398305091 /nfs/dbraw/zinc/30/50/91/398305091.db2.gz WENXGYWWRABVMD-UHFFFAOYSA-N 0 0 235.674 2.291 10 30 BEEERN COC(=O)c1ccc(C#N)cc1OC(C)C ZINC000309170056 342899298 /nfs/dbraw/zinc/89/92/98/342899298.db2.gz NBNMZSYGDFRYFV-UHFFFAOYSA-N 0 0 219.240 2.132 10 30 BEEERN Cc1cc(F)cc(C(=O)N[C@H](C#N)C2CC2)c1 ZINC000134789083 342888548 /nfs/dbraw/zinc/88/85/48/342888548.db2.gz DOCMWGWERCVAIG-GFCCVEGCSA-N 0 0 232.258 2.166 10 30 BEEERN Cc1c(Cl)cccc1C(=O)C(C#N)C#N ZINC000219705208 342893504 /nfs/dbraw/zinc/89/35/04/342893504.db2.gz YFKMAXVOHMIMBV-UHFFFAOYSA-N 0 0 218.643 2.494 10 30 BEEERN COc1cnc(OC(F)(F)F)cc1CC#N ZINC000309235810 342920323 /nfs/dbraw/zinc/92/03/23/342920323.db2.gz BPZGPMJANTZAGJ-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN N#CC[C@H]1NCC2(CC2)c2ccc([N+](=O)[O-])cc21 ZINC000575433995 398328001 /nfs/dbraw/zinc/32/80/01/398328001.db2.gz CCKSVCODNUOMEW-GFCCVEGCSA-N 0 0 243.266 2.184 10 30 BEEERN C[C@H]1SCC[C@]1(C#N)NC1CCCC1 ZINC000235628949 344015180 /nfs/dbraw/zinc/01/51/80/344015180.db2.gz DZHCJMREFURBIG-MWLCHTKSSA-N 0 0 210.346 2.306 10 30 BEEERN C#C[C@@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000117197982 342949729 /nfs/dbraw/zinc/94/97/29/342949729.db2.gz VZGGMXOCTVYSJO-GSVOUGTGSA-N 0 0 222.112 2.049 10 30 BEEERN COc1cncc(C#Cc2cccc(C)n2)c1 ZINC000034544348 187208435 /nfs/dbraw/zinc/20/84/35/187208435.db2.gz CARVAUDQLBLMBA-UHFFFAOYSA-N 0 0 224.263 2.193 10 30 BEEERN C/C=C\C(=O)c1cccc(OC(C)=O)c1 ZINC000308798664 346913339 /nfs/dbraw/zinc/91/33/39/346913339.db2.gz LPMFSLXJOKBWCQ-HYXAFXHYSA-N 0 0 204.225 2.371 10 30 BEEERN CCC(F)(F)CN[C@@H]1CCC[C@@H]1C#N ZINC000602829261 349766302 /nfs/dbraw/zinc/76/63/02/349766302.db2.gz HQOCYOMMBCFFFS-RKDXNWHRSA-N 0 0 202.248 2.314 10 30 BEEERN CC[C@@H](C#N)C(=O)c1sc(C)nc1C ZINC000233836522 343073668 /nfs/dbraw/zinc/07/36/68/343073668.db2.gz USBBVYJVIUSVKT-QMMMGPOBSA-N 0 0 208.286 2.492 10 30 BEEERN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)C#N ZINC000044825688 343075564 /nfs/dbraw/zinc/07/55/64/343075564.db2.gz PZBSBWOONFFZNR-QWRGUYRKSA-N 0 0 216.284 2.332 10 30 BEEERN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)C#N ZINC000044825690 343075671 /nfs/dbraw/zinc/07/56/71/343075671.db2.gz PZBSBWOONFFZNR-MNOVXSKESA-N 0 0 216.284 2.332 10 30 BEEERN CCc1cc(N[C@H]2CCC[C@H]2C#N)ncn1 ZINC000309951458 343104410 /nfs/dbraw/zinc/10/44/10/343104410.db2.gz GFTQGKGGGURCEO-ONGXEEELSA-N 0 0 216.288 2.143 10 30 BEEERN COP(=O)(C#Cc1ccccc1)OC ZINC000205392774 343122388 /nfs/dbraw/zinc/12/23/88/343122388.db2.gz RZDSNMHXCONDPA-UHFFFAOYSA-N 0 0 210.169 2.482 10 30 BEEERN CC(=O)Nc1n[nH]c(-c2ccccc2)n1 ZINC000006158840 187241986 /nfs/dbraw/zinc/24/19/86/187241986.db2.gz XUSGPWZOTDRMIP-UHFFFAOYSA-N 0 0 202.217 2.080 10 30 BEEERN CC[C@@](C)(C#N)C(=O)N[C@H](C)C(C)(C)C ZINC000122772398 343160911 /nfs/dbraw/zinc/16/09/11/343160911.db2.gz NDMSWCBZAMEZIV-SKDRFNHKSA-N 0 0 210.321 2.477 10 30 BEEERN CC(N=NC(N)=S)c1ccccc1Cl ZINC000013474219 187242764 /nfs/dbraw/zinc/24/27/64/187242764.db2.gz MLAOJHVRNWODGF-WUXMJOGZSA-N 0 0 227.720 2.309 10 30 BEEERN CSc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1 ZINC000108828339 136275429 /nfs/dbraw/zinc/27/54/29/136275429.db2.gz FKSNMCBWQQQPKN-GFCCVEGCSA-N 0 0 246.335 2.440 10 30 BEEERN C#CC(C)(C)OC(=O)NC1CCCCC1 ZINC000238197366 343251317 /nfs/dbraw/zinc/25/13/17/343251317.db2.gz DHTRJJDVUSVFMV-UHFFFAOYSA-N 0 0 209.289 2.457 10 30 BEEERN C#CCC(=O)[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300022374 343263855 /nfs/dbraw/zinc/26/38/55/343263855.db2.gz ACCGTDSDEQAZIH-WEDXCCLWSA-N 0 0 214.355 2.204 10 30 BEEERN Cc1ccc(C(=O)NC2(C#N)CCCC2)o1 ZINC000040215105 136292403 /nfs/dbraw/zinc/29/24/03/136292403.db2.gz DWHLNGWQRPRXOF-UHFFFAOYSA-N 0 0 218.256 2.154 10 30 BEEERN CC1([C@H](CC#N)c2ccccc2)OCCO1 ZINC000021990340 187254256 /nfs/dbraw/zinc/25/42/56/187254256.db2.gz YTNABWMDRRJMJC-GFCCVEGCSA-N 0 0 217.268 2.447 10 30 BEEERN C=CCn1nnc2cc(OCC)ccc21 ZINC000039099238 187255030 /nfs/dbraw/zinc/25/50/30/187255030.db2.gz GHDLRXHHEAPUIZ-UHFFFAOYSA-N 0 0 203.245 2.016 10 30 BEEERN CC(=O)O[C@H](C#N)c1ccccc1Cl ZINC000034273143 187257311 /nfs/dbraw/zinc/25/73/11/187257311.db2.gz VAETWAPFKJBFDQ-SNVBAGLBSA-N 0 0 209.632 2.468 10 30 BEEERN CC1(C)OCc2cc([C@H]3CO3)ccc2O1 ZINC000039120157 187255894 /nfs/dbraw/zinc/25/58/94/187255894.db2.gz ZSJXKLGDRXIOAI-LLVKDONJSA-N 0 0 206.241 2.403 10 30 BEEERN C=C(C)C(=O)c1ccc(OC)c(OC)c1 ZINC000071509975 187260243 /nfs/dbraw/zinc/26/02/43/187260243.db2.gz GTARNAHBSREUJF-UHFFFAOYSA-N 0 0 206.241 2.463 10 30 BEEERN CC(=O)Nc1ccc(NC[C@@H](C)C#N)cc1 ZINC000036668909 187258959 /nfs/dbraw/zinc/25/89/59/187258959.db2.gz CKQGGTHIDUWRKS-VIFPVBQESA-N 0 0 217.272 2.217 10 30 BEEERN Cc1ccoc1C(=O)NC1(C#N)CCCC1 ZINC000040216373 343398616 /nfs/dbraw/zinc/39/86/16/343398616.db2.gz WXVUEEXRVKKSFV-UHFFFAOYSA-N 0 0 218.256 2.154 10 30 BEEERN C[C@@H]1OCC[C@H]1NC(=O)c1ccnc(C2CC2)c1 ZINC000329338453 136365213 /nfs/dbraw/zinc/36/52/13/136365213.db2.gz QNKCFOXAYJWEGH-JOYOIKCWSA-N 0 0 246.310 2.441 10 30 BEEERN N#Cc1cccc([C@H]2CCCCN2C(N)=O)c1 ZINC000616614433 343521417 /nfs/dbraw/zinc/52/14/17/343521417.db2.gz FTPROROUWOCNNO-GFCCVEGCSA-N 0 0 229.283 2.164 10 30 BEEERN C/C=N\NCc1nc2ccccc2s1 ZINC000045236971 343526548 /nfs/dbraw/zinc/52/65/48/343526548.db2.gz DVDLCXHYEAJDDB-FUQNDXKWSA-N 0 0 205.286 2.392 10 30 BEEERN CC(=O)c1nc2ccc(C#N)cc2s1 ZINC000045237407 343526779 /nfs/dbraw/zinc/52/67/79/343526779.db2.gz HOFSFPNHLKFJNQ-UHFFFAOYSA-N 0 0 202.238 2.371 10 30 BEEERN Cn1cc(C(Cl)=NO)c(C(C)(C)C)n1 ZINC000379487333 343565796 /nfs/dbraw/zinc/56/57/96/343565796.db2.gz KXVFZYUYFJSMQO-UHFFFAOYSA-N 0 0 215.684 2.092 10 30 BEEERN C=CCCOCCNC(=O)N[C@H](C)C(C)(C)C ZINC000125213330 343619087 /nfs/dbraw/zinc/61/90/87/343619087.db2.gz XWQWKRBKRWIOID-LLVKDONJSA-N 0 0 242.363 2.313 10 30 BEEERN COC(=O)c1ccc(OC(C)C)cc1C#N ZINC000309492754 343621005 /nfs/dbraw/zinc/62/10/05/343621005.db2.gz JOACWFVWFXSCRL-UHFFFAOYSA-N 0 0 219.240 2.132 10 30 BEEERN N#Cc1c(F)ccc([C@@H]2CCCC[NH2+]2)c1[O-] ZINC000309516199 343662218 /nfs/dbraw/zinc/66/22/18/343662218.db2.gz YHZAEUNHOBEZLR-NSHDSACASA-N 0 0 220.247 2.218 10 30 BEEERN N#Cc1cc(-c2ccccn2)nnc1Cl ZINC000083991379 343694801 /nfs/dbraw/zinc/69/48/01/343694801.db2.gz UXVXXBQJWDLJDV-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN C/C(=N\O)c1ccc2nc(N)sc2c1 ZINC000045237665 187269769 /nfs/dbraw/zinc/26/97/69/187269769.db2.gz ZQTZTDPTMOJPDU-LFYBBSHMSA-N 0 0 207.258 2.077 10 30 BEEERN N#Cc1cccc(COC[C@@H]2CCOC2)c1 ZINC000049690064 187270555 /nfs/dbraw/zinc/27/05/55/187270555.db2.gz MIJOTCIRKHZVSH-CYBMUJFWSA-N 0 0 217.268 2.111 10 30 BEEERN Cc1ccc(C#N)c(=O)n1CCc1cccs1 ZINC000049831864 187270708 /nfs/dbraw/zinc/27/07/08/187270708.db2.gz FKKXNGMLUVYNBT-UHFFFAOYSA-N 0 0 244.319 2.333 10 30 BEEERN N#C[C@H](CO)Cc1ccc(Br)s1 ZINC000063064093 343748400 /nfs/dbraw/zinc/74/84/00/343748400.db2.gz XKQCMBNWCYCNCT-ZCFIWIBFSA-N 0 0 246.129 2.185 10 30 BEEERN Cc1cc(C)c2c(c1)c(=O)c(C#N)cn2C ZINC000072236957 187276168 /nfs/dbraw/zinc/27/61/68/187276168.db2.gz RPUFOWPBHXIRRF-UHFFFAOYSA-N 0 0 212.252 2.027 10 30 BEEERN CCc1cc(-c2cccs2)nn1CC=O ZINC000409439105 343846284 /nfs/dbraw/zinc/84/62/84/343846284.db2.gz GWDFTZCZHJIBGU-UHFFFAOYSA-N 0 0 220.297 2.373 10 30 BEEERN N#Cc1cccc(-c2ccc(C=O)s2)n1 ZINC000585144160 343881114 /nfs/dbraw/zinc/88/11/14/343881114.db2.gz DOTJEIWBHACKSV-UHFFFAOYSA-N 0 0 214.249 2.494 10 30 BEEERN C#CCn1cc(C=O)c(-c2ccsc2)n1 ZINC000409441736 343860632 /nfs/dbraw/zinc/86/06/32/343860632.db2.gz ZTWYSTBVVIAKBF-UHFFFAOYSA-N 0 0 216.265 2.057 10 30 BEEERN C#CCn1nc(-c2ccsc2)cc1C#N ZINC000409443265 343866499 /nfs/dbraw/zinc/86/64/99/343866499.db2.gz KBKPFSPHQQLOQE-UHFFFAOYSA-N 0 0 213.265 2.116 10 30 BEEERN C=CC(F)(F)[C@@H](O)c1ccc(C#N)cc1 ZINC000039055476 187354110 /nfs/dbraw/zinc/35/41/10/187354110.db2.gz BMOULFUXLWZTBC-JTQLQIEISA-N 0 0 209.195 2.413 10 30 BEEERN O=C[C@@H]1CCCCN1c1ncccc1Cl ZINC000054268184 343885148 /nfs/dbraw/zinc/88/51/48/343885148.db2.gz DZRSYCSIAJVTEN-VIFPVBQESA-N 0 0 224.691 2.293 10 30 BEEERN C#CCC(=O)c1ccncc1Br ZINC000306859544 343891284 /nfs/dbraw/zinc/89/12/84/343891284.db2.gz CZPMQRUFEAOVDH-UHFFFAOYSA-N 0 0 224.057 2.050 10 30 BEEERN C#CCN(C)c1ccc(C=O)c(Cl)c1 ZINC000234253570 343918059 /nfs/dbraw/zinc/91/80/59/343918059.db2.gz OARZIMMWUIOLMO-UHFFFAOYSA-N 0 0 207.660 2.222 10 30 BEEERN C[C@H](CC#N)n1cc(C(F)(F)F)cn1 ZINC000070018895 343946869 /nfs/dbraw/zinc/94/68/69/343946869.db2.gz PGMYNDMGCTYBLT-ZCFIWIBFSA-N 0 0 203.167 2.377 10 30 BEEERN CCN(C)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000335890815 344044702 /nfs/dbraw/zinc/04/47/02/344044702.db2.gz QMOYQAKVSFDNAY-CMPLNLGQSA-N 0 0 223.320 2.120 10 30 BEEERN C=C(Cl)CNc1ccc(SC)nn1 ZINC000307699948 343949814 /nfs/dbraw/zinc/94/98/14/343949814.db2.gz PNZYDKQWPLDJOY-UHFFFAOYSA-N 0 0 215.709 2.363 10 30 BEEERN C=C(C)C[N@@H+](CC)Cc1cc(CNC2CC2)no1 ZINC000052423383 187358700 /nfs/dbraw/zinc/35/87/00/187358700.db2.gz YDPCMZWIPSEOEX-UHFFFAOYSA-N 0 0 249.358 2.325 10 30 BEEERN N#CCc1cc(C=O)ccc1OC(F)(F)F ZINC000616576805 344198959 /nfs/dbraw/zinc/19/89/59/344198959.db2.gz QVTKOUQEYCJNGY-UHFFFAOYSA-N 0 0 229.157 2.464 10 30 BEEERN Cc1ccc([C@H](O)c2ccc(C#N)cc2)cn1 ZINC000127662305 344201523 /nfs/dbraw/zinc/20/15/23/344201523.db2.gz LABIPNKZJBXLJH-CQSZACIVSA-N 0 0 224.263 2.343 10 30 BEEERN C#CC(C)(C)Oc1cc(Cl)nc(CC)n1 ZINC000165956798 344248121 /nfs/dbraw/zinc/24/81/21/344248121.db2.gz IRXLAPMBYNBJKZ-UHFFFAOYSA-N 0 0 224.691 2.483 10 30 BEEERN N#Cc1cc(Cl)nc(NCC(F)F)c1 ZINC000215560958 344252744 /nfs/dbraw/zinc/25/27/44/344252744.db2.gz XSPPYDIEIKRUPN-UHFFFAOYSA-N 0 0 217.606 2.284 10 30 BEEERN C[C@@H](CO)Nc1cc(C#N)ccc1Cl ZINC000306559904 344258436 /nfs/dbraw/zinc/25/84/36/344258436.db2.gz LYRFKKNVOJFIJO-ZETCQYMHSA-N 0 0 210.664 2.004 10 30 BEEERN C[C@]1(F)CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000408255433 344275590 /nfs/dbraw/zinc/27/55/90/344275590.db2.gz INAMGLPYOLMDHG-LBPRGKRZSA-N 0 0 249.245 2.405 10 30 BEEERN N#Cc1c(Cl)nsc1N1CCSC1 ZINC000306592074 344287818 /nfs/dbraw/zinc/28/78/18/344287818.db2.gz QTCJRVKUMFPLQM-UHFFFAOYSA-N 0 0 231.733 2.179 10 30 BEEERN C=C(Br)CNc1ccc(N)c(N)c1 ZINC000236350049 344356279 /nfs/dbraw/zinc/35/62/79/344356279.db2.gz SIYBYRBUUXLLSQ-UHFFFAOYSA-N 0 0 242.120 2.172 10 30 BEEERN COC(=O)CC[C@@](C)(C#N)c1cccc(OC)c1 ZINC000139628586 344423954 /nfs/dbraw/zinc/42/39/54/344423954.db2.gz QEFPUEZVITZXKB-AWEZNQCLSA-N 0 0 247.294 2.430 10 30 BEEERN Nc1ccc(C#Cc2ccc(O)cc2)cc1 ZINC000028642773 344380153 /nfs/dbraw/zinc/38/01/53/344380153.db2.gz UEXPTYYZDKMACI-UHFFFAOYSA-N 0 0 209.248 2.374 10 30 BEEERN Cc1cnn(CCNc2ccc(F)cc2C#N)c1 ZINC000230903986 349909809 /nfs/dbraw/zinc/90/98/09/349909809.db2.gz UKJNGUHSDLMQOQ-UHFFFAOYSA-N 0 0 244.273 2.314 10 30 BEEERN Cc1ccc(S(=O)(=O)/N=C/C(C)C)cc1 ZINC000139612681 344419250 /nfs/dbraw/zinc/41/92/50/344419250.db2.gz YOVWUZZSQWIQHZ-XYOKQWHBSA-N 0 0 225.313 2.411 10 30 BEEERN Cc1nc(C#N)cc(Cc2ccc(F)cc2)n1 ZINC000409438917 344462882 /nfs/dbraw/zinc/46/28/82/344462882.db2.gz PLVAGTYKDZSMQE-UHFFFAOYSA-N 0 0 227.242 2.387 10 30 BEEERN N#Cc1c(C2CC2)nn2ccn(CC3CC3)c12 ZINC000409437949 344463253 /nfs/dbraw/zinc/46/32/53/344463253.db2.gz JPPBUMIASBINGC-UHFFFAOYSA-N 0 0 226.283 2.295 10 30 BEEERN N#Cc1cc(Cc2ccc(F)cc2)ncn1 ZINC000409436676 344463273 /nfs/dbraw/zinc/46/32/73/344463273.db2.gz UAVSGVHABVFQBN-UHFFFAOYSA-N 0 0 213.215 2.078 10 30 BEEERN N#Cc1cc([C@H]2CCCO2)nc(C2CC2)n1 ZINC000409440781 344463337 /nfs/dbraw/zinc/46/33/37/344463337.db2.gz ZLKOYZISIMVDMZ-LLVKDONJSA-N 0 0 215.256 2.077 10 30 BEEERN C[C@@H](Oc1ccccc1)c1cc(C#N)ncn1 ZINC000409436484 344463430 /nfs/dbraw/zinc/46/34/30/344463430.db2.gz AQPZWSBEGDWKRT-SNVBAGLBSA-N 0 0 225.251 2.488 10 30 BEEERN COC(C)(C)C(=O)C=C(O)C(C)(C)C ZINC000106262523 344473908 /nfs/dbraw/zinc/47/39/08/344473908.db2.gz ZFWWTGITXRAREH-FPLPWBNLSA-N 0 0 200.278 2.469 10 30 BEEERN COc1cc(CC#N)cc(O)c1Br ZINC000217114858 344515746 /nfs/dbraw/zinc/51/57/46/344515746.db2.gz VUNHCSBDQGRETQ-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN COc1cc(Br)cc(CC#N)c1O ZINC000217114812 344515901 /nfs/dbraw/zinc/51/59/01/344515901.db2.gz RKNQZWGTWMVPRJ-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN C=C[C@@]1(C)COC(CC)=C1C(=O)OCC ZINC000210213028 344536605 /nfs/dbraw/zinc/53/66/05/344536605.db2.gz YUJMVOSUHSQGDQ-LBPRGKRZSA-N 0 0 210.273 2.436 10 30 BEEERN N#CCc1ccnc(OC(F)(F)F)c1F ZINC000238556751 344558512 /nfs/dbraw/zinc/55/85/12/344558512.db2.gz OMHPQTQUSSGAIO-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#Cc1cc(N2CCCCN2)nc2ccccc12 ZINC000400380370 344565239 /nfs/dbraw/zinc/56/52/39/344565239.db2.gz XIHFEJBLGSWPCS-UHFFFAOYSA-N 0 0 238.294 2.211 10 30 BEEERN N#CCc1cc([N+](=O)[O-])nc(C(F)(F)F)c1 ZINC000396124186 344609520 /nfs/dbraw/zinc/60/95/20/344609520.db2.gz YRQYEGKUUHRWRW-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN N#CCc1c(N)c(C(F)(F)F)ccc1F ZINC000396101487 344602406 /nfs/dbraw/zinc/60/24/06/344602406.db2.gz PSZXRJBSYASXJW-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN COc1ccnc(C(F)(F)F)c1CC#N ZINC000396102636 344602691 /nfs/dbraw/zinc/60/26/91/344602691.db2.gz ISRAPTZLCCFKRO-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1c(N)c(F)ccc1C(F)(F)F ZINC000396107607 344604058 /nfs/dbraw/zinc/60/40/58/344604058.db2.gz XACRYXDFFWDQNU-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN COc1cnc(C(F)(F)F)cc1CC#N ZINC000396110184 344605529 /nfs/dbraw/zinc/60/55/29/344605529.db2.gz ZXZXMOTWJFQWKE-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1nc([N+](=O)[O-])ccc1C(F)(F)F ZINC000396119652 344608055 /nfs/dbraw/zinc/60/80/55/344608055.db2.gz KODGEQGJHJGEAW-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN N#CCc1ccc(C(F)(F)F)nc1[N+](=O)[O-] ZINC000396120518 344608479 /nfs/dbraw/zinc/60/84/79/344608479.db2.gz NMSRMWVVXDURAW-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C[C@@H](O)c1cc(Cl)ccc1OCC#N ZINC000050211143 344657572 /nfs/dbraw/zinc/65/75/72/344657572.db2.gz ORKQJOWVRGVWOH-SSDOTTSWSA-N 0 0 211.648 2.296 10 30 BEEERN CCCOC(=O)Nc1ccc(N)cc1C#N ZINC000117943517 344764970 /nfs/dbraw/zinc/76/49/70/344764970.db2.gz AQMHWQCURNNUMF-UHFFFAOYSA-N 0 0 219.244 2.099 10 30 BEEERN CS(=O)(=O)OCc1ccc2ccccc2c1 ZINC000166209316 344789622 /nfs/dbraw/zinc/78/96/22/344789622.db2.gz SZAIELLMPNVLAY-UHFFFAOYSA-N 0 0 236.292 2.316 10 30 BEEERN Cc1ccc(NC(=O)[C@@H](C)CC#N)cc1 ZINC000049812393 178741057 /nfs/dbraw/zinc/74/10/57/178741057.db2.gz GCZLIPQHXYEXNM-JTQLQIEISA-N 0 0 202.257 2.483 10 30 BEEERN C[C@@H](S)C(=O)N1CCCCCCC1 ZINC000235258202 344859633 /nfs/dbraw/zinc/85/96/33/344859633.db2.gz IKGWRIBQSUMHAL-SECBINFHSA-N 0 0 201.335 2.097 10 30 BEEERN Cc1c(F)cccc1NC(=O)[C@@H](C)S ZINC000235298651 344876187 /nfs/dbraw/zinc/87/61/87/344876187.db2.gz CJSFPPBVKXANDC-SSDOTTSWSA-N 0 0 213.277 2.391 10 30 BEEERN C=CCCCN(C)Cc1nc(CCC)no1 ZINC000121092816 344910533 /nfs/dbraw/zinc/91/05/33/344910533.db2.gz GYBASVMZLJOJPX-UHFFFAOYSA-N 0 0 223.320 2.420 10 30 BEEERN C[C@@H]1CS[C@H](c2ccccc2C#N)N1 ZINC000235359466 344891879 /nfs/dbraw/zinc/89/18/79/344891879.db2.gz QGCRXOFRFXVEEW-LDYMZIIASA-N 0 0 204.298 2.282 10 30 BEEERN Cc1ccc(N[C@@H](C#N)[C@@H]2CCOC2)cc1 ZINC000037935527 178769581 /nfs/dbraw/zinc/76/95/81/178769581.db2.gz LMZCCTJQRRVMJT-YPMHNXCESA-N 0 0 216.284 2.336 10 30 BEEERN Cc1ccc(N[C@@H](C#N)[C@H]2CCOC2)cc1 ZINC000037935529 178769699 /nfs/dbraw/zinc/76/96/99/178769699.db2.gz LMZCCTJQRRVMJT-AAEUAGOBSA-N 0 0 216.284 2.336 10 30 BEEERN C=C[C@H](NN)c1cccc(Br)c1 ZINC000166497617 344909013 /nfs/dbraw/zinc/90/90/13/344909013.db2.gz YKUSVPDYZSTBFJ-VIFPVBQESA-N 0 0 227.105 2.140 10 30 BEEERN C[C@H](S)C(=O)N1CCCCCCC1 ZINC000235548237 344937914 /nfs/dbraw/zinc/93/79/14/344937914.db2.gz IKGWRIBQSUMHAL-VIFPVBQESA-N 0 0 201.335 2.097 10 30 BEEERN Cc1cccc(N(C)C(=O)[C@H](C)S)c1 ZINC000235547324 344937496 /nfs/dbraw/zinc/93/74/96/344937496.db2.gz MCTVBOVHMKRTPH-VIFPVBQESA-N 0 0 209.314 2.276 10 30 BEEERN C[C@@H](NC(=O)[C@H](C)S)C1CCCCC1 ZINC000235561014 344943787 /nfs/dbraw/zinc/94/37/87/344943787.db2.gz BQKBUPOSPZMUME-BDAKNGLRSA-N 0 0 215.362 2.390 10 30 BEEERN N#C[C@H](NCc1ccccc1)[C@H]1CCSC1 ZINC000224560196 344944346 /nfs/dbraw/zinc/94/43/46/344944346.db2.gz ZXZKUWKYBICZIS-STQMWFEESA-N 0 0 232.352 2.421 10 30 BEEERN N#C[C@@H](NCc1ccccc1)[C@H]1CCSC1 ZINC000224560154 344944430 /nfs/dbraw/zinc/94/44/30/344944430.db2.gz ZXZKUWKYBICZIS-QWHCGFSZSA-N 0 0 232.352 2.421 10 30 BEEERN COC(=O)c1cc(Cl)c(C#N)cc1F ZINC000238357107 345028963 /nfs/dbraw/zinc/02/89/63/345028963.db2.gz XUICOIWUMNCPBI-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN N#CCc1ccc(F)c(OC(F)F)c1 ZINC000238525138 345069643 /nfs/dbraw/zinc/06/96/43/345069643.db2.gz JUAHKFKISJJZFU-UHFFFAOYSA-N 0 0 201.147 2.493 10 30 BEEERN N#CCc1ccc(OC(F)F)c(F)c1 ZINC000238526775 345070576 /nfs/dbraw/zinc/07/05/76/345070576.db2.gz FFRKUJXYBGKISR-UHFFFAOYSA-N 0 0 201.147 2.493 10 30 BEEERN Cc1cc(OC(F)(F)F)c(C#N)cn1 ZINC000238491717 345059588 /nfs/dbraw/zinc/05/95/88/345059588.db2.gz ANAMGMKCYSAHPL-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1c(N)cccc1Br ZINC000238617701 345094240 /nfs/dbraw/zinc/09/42/40/345094240.db2.gz NCEXLSRBCMUPRL-UHFFFAOYSA-N 0 0 211.062 2.097 10 30 BEEERN N#Cc1cc(Cl)ncc1OC(F)F ZINC000307169874 345101171 /nfs/dbraw/zinc/10/11/71/345101171.db2.gz ZGUURDYPNCTZCA-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN N#Cc1cncc(OC(F)F)c1Cl ZINC000307178026 345133929 /nfs/dbraw/zinc/13/39/29/345133929.db2.gz JGDTWMZQMDAAIC-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN N#C[C@@]1(Sc2ccccc2)C[C@@H]1CO ZINC000132798154 345345225 /nfs/dbraw/zinc/34/52/25/345345225.db2.gz GCWZGYRIXDYNOM-KOLCDFICSA-N 0 0 205.282 2.053 10 30 BEEERN CC[C@](C)(C#N)C(=O)N[C@H]1COc2ccccc21 ZINC000136257240 345493922 /nfs/dbraw/zinc/49/39/22/345493922.db2.gz GDUKBYZYPIBIAR-SMDDNHRTSA-N 0 0 244.294 2.176 10 30 BEEERN C=C(C)[C@H](NN)c1cc2c(s1)CCC2 ZINC000158816307 345509498 /nfs/dbraw/zinc/50/94/98/345509498.db2.gz ROUVCRFSLKFCAI-NSHDSACASA-N 0 0 208.330 2.317 10 30 BEEERN CCOc1cc2c(cc1C=NO)O[C@@H](C)C2 ZINC000252369960 345516683 /nfs/dbraw/zinc/51/66/83/345516683.db2.gz IVJSJHXRGCWOBV-QMMMGPOBSA-N 0 0 221.256 2.217 10 30 BEEERN C#Cc1ccc(C(=O)c2ccncc2)cc1 ZINC000002524925 345762092 /nfs/dbraw/zinc/76/20/92/345762092.db2.gz RFEAOVKLLMIOOK-UHFFFAOYSA-N 0 0 207.232 2.294 10 30 BEEERN CC(=O)/C=C/C1=C(C)[C@@H]2CC[C@H](C)[C@@H]2[C@H](O)O1 ZINC000256002242 345765092 /nfs/dbraw/zinc/76/50/92/345765092.db2.gz SSFLZIBVARYADM-PNXHHLJCSA-N 0 0 236.311 2.417 10 30 BEEERN C#C[C@H](OC)c1cc(OC)c(OC)c(OC)c1 ZINC000035259692 345848198 /nfs/dbraw/zinc/84/81/98/345848198.db2.gz FGFUTFVZUVKWER-JTQLQIEISA-N 0 0 236.267 2.033 10 30 BEEERN COC(=O)c1c(O)c(C#N)cc2ccccc21 ZINC000142296161 345862586 /nfs/dbraw/zinc/86/25/86/345862586.db2.gz GDDQFLRVLQWRHV-UHFFFAOYSA-N 0 0 227.219 2.204 10 30 BEEERN C#CCN1Cc2cccc3cccc(c32)C1=O ZINC000034384137 345825205 /nfs/dbraw/zinc/82/52/05/345825205.db2.gz QDWSQWJUMQIEIP-UHFFFAOYSA-N 0 0 221.259 2.429 10 30 BEEERN C#CC[C@]12CCCc3cccc(c31)NC2=O ZINC000034384140 345825328 /nfs/dbraw/zinc/82/53/28/345825328.db2.gz YSLRQKOBLPZNCR-AWEZNQCLSA-N 0 0 211.264 2.236 10 30 BEEERN CCCc1c([O-])c2cc(C#N)ccc2[nH]c1=O ZINC000137084896 345832002 /nfs/dbraw/zinc/83/20/02/345832002.db2.gz WUAXBURNHDJYGJ-UHFFFAOYSA-N 0 0 228.251 2.058 10 30 BEEERN CCOC(=O)[C@@](C)(C#N)c1cccc(OC)c1 ZINC000034457707 345834123 /nfs/dbraw/zinc/83/41/23/345834123.db2.gz UDMBRDANTIEWLY-ZDUSSCGKSA-N 0 0 233.267 2.040 10 30 BEEERN C=C(C)[C@@H]1Cc2cc(C(C)=O)cc(O)c2O1 ZINC000013305892 290762290 /nfs/dbraw/zinc/76/22/90/290762290.db2.gz GWXUAIFBKMNTQY-LBPRGKRZSA-N 0 0 218.252 2.474 10 30 biogenic BEEERN c1cc2c(c(OC[C@@H]3CO3)c1)CC=CC2 ZINC000034619218 345838666 /nfs/dbraw/zinc/83/86/66/345838666.db2.gz CXAQWJKJYACIFY-NSHDSACASA-N 0 0 202.253 2.119 10 30 BEEERN C=CCOC(=C)CS(=O)(=O)c1ccccc1 ZINC000196362986 345840853 /nfs/dbraw/zinc/84/08/53/345840853.db2.gz HIJWISVYLZCRIM-UHFFFAOYSA-N 0 0 238.308 2.177 10 30 BEEERN CN(C)/C=C1\C(=O)CC[C@H]1c1ccc(C#N)cc1 ZINC000144956705 345927950 /nfs/dbraw/zinc/92/79/50/345927950.db2.gz VKIZOBXSOCFXMS-ODUNQGDFSA-N 0 0 240.306 2.450 10 30 BEEERN C=C[C@H](CC)NS(=O)(=O)c1ccc(C)cc1 ZINC000091692244 187360932 /nfs/dbraw/zinc/36/09/32/187360932.db2.gz LBKSQROVXJCVTN-LLVKDONJSA-N 0 0 239.340 2.238 10 30 BEEERN C=C(C)CC(CC)(C(=O)OCC)C(=O)OCC ZINC000001677102 187364442 /nfs/dbraw/zinc/36/44/42/187364442.db2.gz NSFDDFXMHIQMNJ-UHFFFAOYSA-N 0 0 242.315 2.475 10 30 BEEERN C=CCn1c2ccccc2nc1C(C)(C)O ZINC000008785911 187363489 /nfs/dbraw/zinc/36/34/89/187363489.db2.gz ZPNHTBRFQDHNNX-UHFFFAOYSA-N 0 0 216.284 2.450 10 30 BEEERN CC(C)O/N=C(C#N)/C(Cl)=N/OC(C)C ZINC000148780272 346048619 /nfs/dbraw/zinc/04/86/19/346048619.db2.gz HZHHNHLYGJTOPK-UQXQTEIVSA-N 0 0 231.683 2.268 10 30 BEEERN Cc1ccc(C#N)cc1NC(=O)N1CC2(CC2)C1 ZINC000333218694 187365541 /nfs/dbraw/zinc/36/55/41/187365541.db2.gz LSRXJHZKVBQEGW-UHFFFAOYSA-N 0 0 241.294 2.494 10 30 BEEERN CSc1nc(C)c2c(C)[nH]nc2c1C#N ZINC000034181496 346216996 /nfs/dbraw/zinc/21/69/96/346216996.db2.gz GGGIUMFEUNHUEH-UHFFFAOYSA-N 0 0 218.285 2.168 10 30 BEEERN N#Cc1cnc(OCc2ccccc2)c(N)c1 ZINC000236336507 346226532 /nfs/dbraw/zinc/22/65/32/346226532.db2.gz AADZDEFNJJZLDL-UHFFFAOYSA-N 0 0 225.251 2.114 10 30 BEEERN CSC[C@@H](C)N(C)c1ccc(C#N)cn1 ZINC000122470959 187319096 /nfs/dbraw/zinc/31/90/96/187319096.db2.gz HHUDTXQIAQBZPR-SECBINFHSA-N 0 0 221.329 2.141 10 30 BEEERN Cc1cccc(C)c1N1C[C@@H](C#N)CC1=O ZINC000011894172 179039775 /nfs/dbraw/zinc/03/97/75/179039775.db2.gz KCHBQFSTJSHXJS-LLVKDONJSA-N 0 0 214.268 2.180 10 30 BEEERN O=C(N[C@H]1CCCSC1)[C@@H]1CCCC(=O)N1 ZINC000328814679 537968308 /nfs/dbraw/zinc/96/83/08/537968308.db2.gz GJMDFIUUJFKHQG-IUCAKERBSA-N 0 0 242.344 2.348 10 30 BEEERN Cc1cccc(C2=CC(=O)C[C@@](C)(O)C2)c1 ZINC000040174974 179051058 /nfs/dbraw/zinc/05/10/58/179051058.db2.gz ROJDPVUUBHMCBP-AWEZNQCLSA-N 0 0 216.280 2.492 10 30 BEEERN C[C@H](C#N)CN(C)C(=O)[C@H]1CCC[C@H]1C ZINC000300240100 346424021 /nfs/dbraw/zinc/42/40/21/346424021.db2.gz IBBBOPXKNIFPDA-MXWKQRLJSA-N 0 0 208.305 2.041 10 30 BEEERN C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCC[C@H]1C ZINC000300240764 346424253 /nfs/dbraw/zinc/42/42/53/346424253.db2.gz WKDOTHZPAIODSD-OUAUKWLOSA-N 0 0 208.305 2.183 10 30 BEEERN C#CCNC(=O)/C(C)=C(\C)c1ccccc1 ZINC000002002375 346494193 /nfs/dbraw/zinc/49/41/93/346494193.db2.gz LEHGCEPMNDWJMX-VAWYXSNFSA-N 0 0 213.280 2.229 10 30 BEEERN Cc1c(C)n(Cc2cccc(C)n2)c(N)c1C#N ZINC000048356866 179109836 /nfs/dbraw/zinc/10/98/36/179109836.db2.gz CWXMPLWZNJKMAV-UHFFFAOYSA-N 0 0 240.310 2.311 10 30 BEEERN CCN(/C=N/C(=O)c1ccccc1)CC ZINC000169460432 346761018 /nfs/dbraw/zinc/76/10/18/346761018.db2.gz AJYGAOJGAWCUTM-JLHYYAGUSA-N 0 0 204.273 2.197 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1cncc(F)c1 ZINC000309575146 347107195 /nfs/dbraw/zinc/10/71/95/347107195.db2.gz ONUOBWAEWUHPDF-CMPLNLGQSA-N 0 0 219.263 2.003 10 30 BEEERN Cc1cccc(OCCN2CCCC[C@H]2C=O)c1 ZINC000054238513 179166128 /nfs/dbraw/zinc/16/61/28/179166128.db2.gz CARYYTSAHBZVKK-AWEZNQCLSA-N 0 0 247.338 2.427 10 30 BEEERN NC(=O)c1cccc(C#Cc2ccccc2)c1 ZINC000034623531 347153792 /nfs/dbraw/zinc/15/37/92/347153792.db2.gz UQZMQWIEFNXYDG-UHFFFAOYSA-N 0 0 221.259 2.185 10 30 BEEERN Cc1cccc(Oc2cc(/C(N)=N/O)ccn2)c1 ZINC000019483305 179175549 /nfs/dbraw/zinc/17/55/49/179175549.db2.gz AIBRTWQUKLUBRV-UHFFFAOYSA-N 0 0 243.266 2.277 10 30 BEEERN COC(=O)CCCC[C@H]1O[C@@H]1c1cccnc1 ZINC000038868554 347168232 /nfs/dbraw/zinc/16/82/32/347168232.db2.gz IBYPRHCBTKBJKL-DGCLKSJQSA-N 0 0 235.283 2.255 10 30 BEEERN N#CC1(C(=O)N2C[C@@H]3CCCCC[C@H]32)CCC1 ZINC000378070783 136730707 /nfs/dbraw/zinc/73/07/07/136730707.db2.gz BGSKQHCTPHTWMU-NWDGAFQWSA-N 0 0 232.327 2.471 10 30 BEEERN CC(C)[C@H](C#N)NC(=O)[C@H]1CCC[C@H]1C ZINC000300240086 136731358 /nfs/dbraw/zinc/73/13/58/136731358.db2.gz HJJFORYXEFHOHV-VWYCJHECSA-N 0 0 208.305 2.087 10 30 BEEERN Cc1cn2c(nc(C)c2CNC[C@H](C)C#N)s1 ZINC000054180777 1172091609 /nfs/dbraw/zinc/09/16/09/1172091609.db2.gz GBLDNYPSJCASTD-MRVPVSSYSA-N 0 0 248.355 2.262 10 30 BEEERN Cc1ccccc1/N=C1/NC(=O)[C@H](C)S1 ZINC000011637996 179244562 /nfs/dbraw/zinc/24/45/62/179244562.db2.gz GSKKSMBOFDEHPZ-QMMMGPOBSA-N 0 0 220.297 2.234 10 30 BEEERN C[Si](C)(C)C#CCO[C@H]1CCCCO1 ZINC000195848335 347690590 /nfs/dbraw/zinc/69/05/90/347690590.db2.gz SNFCEOGLSUQETE-NSHDSACASA-N 0 0 212.365 2.410 10 30 BEEERN C[Si](C)(C)C#CCO[C@@H]1CCCCO1 ZINC000195848330 347690962 /nfs/dbraw/zinc/69/09/62/347690962.db2.gz SNFCEOGLSUQETE-LLVKDONJSA-N 0 0 212.365 2.410 10 30 BEEERN CC1(C)CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000334535174 133690196 /nfs/dbraw/zinc/69/01/96/133690196.db2.gz IWGKUSBWRSLNDE-WDEREUQCSA-N 0 0 235.331 2.120 10 30 BEEERN CC(=O)O[C@H](C#N)Sc1ccccc1 ZINC000196194861 347828429 /nfs/dbraw/zinc/82/84/29/347828429.db2.gz IWJAGVRBVKEPCU-JTQLQIEISA-N 0 0 207.254 2.191 10 30 BEEERN Cc1ccccc1NC(=O)[C@H](C)CC#N ZINC000049812390 179301404 /nfs/dbraw/zinc/30/14/04/179301404.db2.gz VMQUEJQEGBPEAR-SNVBAGLBSA-N 0 0 202.257 2.483 10 30 BEEERN Cc1nc(C#N)sc1-c1nc(C)cc(C)n1 ZINC000669381091 537993719 /nfs/dbraw/zinc/99/37/19/537993719.db2.gz XVMUQKANYGCHEF-UHFFFAOYSA-N 0 0 230.296 2.397 10 30 BEEERN Cc1ccccc1SCC(=O)N(C)CCC#N ZINC000037486535 179315417 /nfs/dbraw/zinc/31/54/17/179315417.db2.gz ISQXTXXRZVGJHI-UHFFFAOYSA-N 0 0 248.351 2.459 10 30 BEEERN CC(C)(C)SC1CC(OS(C)(=O)=O)C1 ZINC000616570184 347914413 /nfs/dbraw/zinc/91/44/13/347914413.db2.gz CYBFQQRGNCUDAV-UHFFFAOYSA-N 0 0 238.374 2.025 10 30 BEEERN C[C@H](C=O)Sc1ccc2c(c1)OCCO2 ZINC000616570877 348075751 /nfs/dbraw/zinc/07/57/51/348075751.db2.gz DQKIMKWCMNYHJP-MRVPVSSYSA-N 0 0 224.281 2.137 10 30 BEEERN COCOCC#CSc1ccccc1 ZINC000197092496 348102508 /nfs/dbraw/zinc/10/25/08/348102508.db2.gz REXHJNXUHNHLNW-UHFFFAOYSA-N 0 0 208.282 2.360 10 30 BEEERN N#Cc1c(N)[nH]cc1-c1cccc(C#N)c1 ZINC000725244808 537999004 /nfs/dbraw/zinc/99/90/04/537999004.db2.gz XXOMERCJYHJRSH-UHFFFAOYSA-N 0 0 208.224 2.007 10 30 BEEERN C=C(C)C(=O)NCc1cccc2c1CCCN2 ZINC000616571477 348201356 /nfs/dbraw/zinc/20/13/56/348201356.db2.gz LMLPKLGTNQGWFR-UHFFFAOYSA-N 0 0 230.311 2.237 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NCc1cncc(F)c1 ZINC000595695593 348306101 /nfs/dbraw/zinc/30/61/01/348306101.db2.gz WRZSWKPTWZXVCV-YPMHNXCESA-N 0 0 233.290 2.393 10 30 BEEERN CSC(=NC#N)N1C[C@H](C)CC[C@@H]1C ZINC000251788274 362918797 /nfs/dbraw/zinc/91/87/97/362918797.db2.gz LLLXTALGFWDVNN-BDAKNGLRSA-N 0 0 211.334 2.307 10 30 BEEERN Fc1ccc(SC[C@H]2CO2)cc1F ZINC000037380882 348390977 /nfs/dbraw/zinc/39/09/77/348390977.db2.gz WLFRBNYUQUPSAS-ZCFIWIBFSA-N 0 0 202.225 2.456 10 30 BEEERN Cc1ccoc1C(=O)Nc1ccc(N)cc1C#N ZINC000036737819 179510051 /nfs/dbraw/zinc/51/00/51/179510051.db2.gz AVNODCREHOOHRK-UHFFFAOYSA-N 0 0 241.250 2.294 10 30 BEEERN Cc1c(N)cnn1[C@H](C)CC(C)(C)C#N ZINC000725249389 538019361 /nfs/dbraw/zinc/01/93/61/538019361.db2.gz IWIQOTFFRZWXLP-MRVPVSSYSA-N 0 0 206.293 2.275 10 30 BEEERN C[C@@H](C=O)Sc1ccc([N+](=O)[O-])cc1 ZINC000616573705 349072189 /nfs/dbraw/zinc/07/21/89/349072189.db2.gz SZGYOHQJGLTCCP-ZETCQYMHSA-N 0 0 211.242 2.274 10 30 BEEERN C[C@H](C=O)Sc1ccc([N+](=O)[O-])cc1 ZINC000616573703 349072266 /nfs/dbraw/zinc/07/22/66/349072266.db2.gz SZGYOHQJGLTCCP-SSDOTTSWSA-N 0 0 211.242 2.274 10 30 BEEERN C[C@@H](C=O)Sc1ncnc2ccccc21 ZINC000616572096 349065079 /nfs/dbraw/zinc/06/50/79/349065079.db2.gz JMLUVRSUFGXOAX-QMMMGPOBSA-N 0 0 218.281 2.309 10 30 BEEERN SCc1noc2c1CCc1cccnc1-2 ZINC000725253193 538036061 /nfs/dbraw/zinc/03/60/61/538036061.db2.gz YQTNIDOJKLIRKT-UHFFFAOYSA-N 0 0 218.281 2.265 10 30 BEEERN C[C@H](CC(=O)N[C@H]1CCC[C@H]1C#N)C(F)(F)F ZINC000599629685 349228249 /nfs/dbraw/zinc/22/82/49/349228249.db2.gz KQZAPPCWTUHBIV-VGMNWLOBSA-N 0 0 248.248 2.383 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC000599630227 349231299 /nfs/dbraw/zinc/23/12/99/349231299.db2.gz OXDFRSSGNOJNJY-SRVKXCTJSA-N 0 0 232.327 2.375 10 30 BEEERN CC(C)(C)OC(=O)N1C=CC(=O)C1(C)C ZINC000616582030 349290596 /nfs/dbraw/zinc/29/05/96/349290596.db2.gz PFYQGMVNNLTTFU-UHFFFAOYSA-N 0 0 211.261 2.099 10 30 BEEERN O[C@H](CC#Cc1cccs1)C(F)(F)F ZINC000616581310 349263852 /nfs/dbraw/zinc/26/38/52/349263852.db2.gz NCCRUVAUXGPVMR-MRVPVSSYSA-N 0 0 220.215 2.413 10 30 BEEERN C=C(CCO)c1ccccc1NC(C)=O ZINC000199653445 349268792 /nfs/dbraw/zinc/26/87/92/349268792.db2.gz CKWSQJUCYMHWHG-UHFFFAOYSA-N 0 0 205.257 2.041 10 30 BEEERN N#Cc1ccc(-n2cc(Cl)cn2)cc1 ZINC000038053456 349302377 /nfs/dbraw/zinc/30/23/77/349302377.db2.gz WSFSXVOFFUAWEB-UHFFFAOYSA-N 0 0 203.632 2.397 10 30 BEEERN O=CC[C@H](O)c1cc(Br)ccc1F ZINC000159371297 350080272 /nfs/dbraw/zinc/08/02/72/350080272.db2.gz SLRXCEYXUHFDEM-VIFPVBQESA-N 0 0 247.063 2.211 10 30 BEEERN N#C[C@]1(c2ccccc2)CCCCCNC1=O ZINC000038763975 350111835 /nfs/dbraw/zinc/11/18/35/350111835.db2.gz IBKDTUGXELUGRT-AWEZNQCLSA-N 0 0 228.295 2.138 10 30 BEEERN Cc1nc(N2CCCCC2)sc1/C=N/O ZINC000057324132 180001618 /nfs/dbraw/zinc/00/16/18/180001618.db2.gz GBCQKDGMZOJECU-YRNVUSSQSA-N 0 0 225.317 2.250 10 30 BEEERN COc1cc(/N=C/c2cscn2)ccn1 ZINC000218308244 350088669 /nfs/dbraw/zinc/08/86/69/350088669.db2.gz XKEDJZOQQLDNQK-LFYBBSHMSA-N 0 0 219.269 2.297 10 30 BEEERN COc1cc(/N=C/c2cccnc2)ccn1 ZINC000218307148 350088731 /nfs/dbraw/zinc/08/87/31/350088731.db2.gz MXOGCGATPUQUOA-OQLLNIDSSA-N 0 0 213.240 2.236 10 30 BEEERN Cc1nc(NC[C@@H](O)C(C)(C)C)ccc1C#N ZINC000291966502 180019411 /nfs/dbraw/zinc/01/94/11/180019411.db2.gz ONJFHFZQFXGEMJ-LLVKDONJSA-N 0 0 233.315 2.081 10 30 BEEERN Cc1nc([C@H](C)NC[C@@H](C)C#N)cs1 ZINC000054180878 180048462 /nfs/dbraw/zinc/04/84/62/180048462.db2.gz QUXNUKKKQSCVEZ-YUMQZZPRSA-N 0 0 209.318 2.262 10 30 BEEERN C[NH+]1CCC(C#N)(Cc2ccccc2)CC1 ZINC000219248440 350118678 /nfs/dbraw/zinc/11/86/78/350118678.db2.gz VUYQRTKYOQRJIH-UHFFFAOYSA-N 0 0 214.312 2.465 10 30 BEEERN Cc1nc([C@H](C)NCCC#N)c(C)s1 ZINC000020200231 180049899 /nfs/dbraw/zinc/04/98/99/180049899.db2.gz BYIHIVHQKCGYJQ-ZETCQYMHSA-N 0 0 209.318 2.324 10 30 BEEERN Cc1nc2c(Cl)cccn2c1CC#N ZINC000082695626 180063250 /nfs/dbraw/zinc/06/32/50/180063250.db2.gz VGBUHARBILBBFF-UHFFFAOYSA-N 0 0 205.648 2.362 10 30 BEEERN C[C@H](C#N)NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000604543644 350143592 /nfs/dbraw/zinc/14/35/92/350143592.db2.gz NSRZLIUGGCISGO-HOSYDEDBSA-N 0 0 246.310 2.364 10 30 BEEERN CCCCC/C=C\CCOS(C)(=O)=O ZINC000220876847 350189324 /nfs/dbraw/zinc/18/93/24/350189324.db2.gz HFSJCWVURDIEPU-FPLPWBNLSA-N 0 0 220.334 2.489 10 30 BEEERN Cc1nccc(CN[C@@H]2CCCCC[C@@H]2C#N)n1 ZINC000054825893 180191129 /nfs/dbraw/zinc/19/11/29/180191129.db2.gz IOTDFEVSZNPIIA-TZMCWYRMSA-N 0 0 244.342 2.347 10 30 BEEERN Cc1ncnc(Nc2ccccc2)c1C#N ZINC000075619365 180291186 /nfs/dbraw/zinc/29/11/86/180291186.db2.gz JICRBABGJMNRCM-UHFFFAOYSA-N 0 0 210.240 2.400 10 30 BEEERN CC[C@@](C)(C#N)NC(=O)Cc1ccccc1 ZINC000040357867 350359681 /nfs/dbraw/zinc/35/96/81/350359681.db2.gz JYPJQZUAJWUJOV-ZDUSSCGKSA-N 0 0 216.284 2.038 10 30 BEEERN Cc1nn(C)c(Nc2cccc(F)c2C#N)c1N ZINC000036157264 180359951 /nfs/dbraw/zinc/35/99/51/180359951.db2.gz LSLOUHTVWGIADW-UHFFFAOYSA-N 0 0 245.261 2.065 10 30 BEEERN N#Cc1cn(CCF)nc1-c1ccccc1 ZINC000409437095 350479861 /nfs/dbraw/zinc/47/98/61/350479861.db2.gz DLPQIHLIYFDYIS-UHFFFAOYSA-N 0 0 215.231 2.391 10 30 BEEERN C#CCCCCNC(=O)N[C@@H](C)C(C)C ZINC000159018301 191106776 /nfs/dbraw/zinc/10/67/76/191106776.db2.gz NGCNYXAPLJZIRH-NSHDSACASA-N 0 0 210.321 2.134 10 30 BEEERN Cc1cc(C(C)C)nc(N(C)CCC#N)n1 ZINC000122311241 362971065 /nfs/dbraw/zinc/97/10/65/362971065.db2.gz GPKLZRCUNUOIEF-UHFFFAOYSA-N 0 0 218.304 2.258 10 30 BEEERN N#Cc1ccc(N[C@H]2CCC[C@H](O)C2)cc1 ZINC000309519500 350695734 /nfs/dbraw/zinc/69/57/34/350695734.db2.gz AZJUMFPHOBIMAL-STQMWFEESA-N 0 0 216.284 2.274 10 30 BEEERN COC(=O)N1CCC[C@H]1c1ccccc1C#N ZINC000616607459 350801149 /nfs/dbraw/zinc/80/11/49/350801149.db2.gz RZWMMEYLOIHJDN-LBPRGKRZSA-N 0 0 230.267 2.462 10 30 BEEERN C#CCN[C@@H](C#N)c1ccccc1Br ZINC000051963024 350828998 /nfs/dbraw/zinc/82/89/98/350828998.db2.gz FTNFKFXBXQATIU-NSHDSACASA-N 0 0 249.111 2.237 10 30 BEEERN CC[C@@H]1C[C@]2(CCC[C@@H](C=O)O2)CCO1 ZINC000306729675 350898717 /nfs/dbraw/zinc/89/87/17/350898717.db2.gz OSQXQSOHLQLKJC-WOPDTQHZSA-N 0 0 212.289 2.082 10 30 BEEERN CO[C@@H](C=O)c1csc(Br)c1 ZINC000306749841 350933801 /nfs/dbraw/zinc/93/38/01/350933801.db2.gz IECOVOXGEUEHDG-LURJTMIESA-N 0 0 235.102 2.397 10 30 BEEERN C[Si](C)(C)CC1(C=O)CCOCC1 ZINC000306721313 350888674 /nfs/dbraw/zinc/88/86/74/350888674.db2.gz DOFIZELTJSUFBO-UHFFFAOYSA-N 0 0 200.354 2.320 10 30 BEEERN Cc1nnsc1C[C@]1(C=O)CCC[C@H]1C ZINC000306722594 350889349 /nfs/dbraw/zinc/88/93/49/350889349.db2.gz FWYHUCXOBSERAH-KCJUWKMLSA-N 0 0 224.329 2.394 10 30 BEEERN CO/N=C1/CCOc2ccc(Cl)cc21 ZINC000306726227 350895462 /nfs/dbraw/zinc/89/54/62/350895462.db2.gz YVYHCJTYFPBVLX-XFXZXTDPSA-N 0 0 211.648 2.473 10 30 BEEERN Cc1ccncc1[C@@H]1CCC[C@@H](C=O)O1 ZINC000306728663 350896950 /nfs/dbraw/zinc/89/69/50/350896950.db2.gz NPKIAKSMQPHRTI-JQWIXIFHSA-N 0 0 205.257 2.199 10 30 BEEERN Cc1ccncc1[C@H]1CCC[C@H](C=O)O1 ZINC000306728666 350897098 /nfs/dbraw/zinc/89/70/98/350897098.db2.gz NPKIAKSMQPHRTI-ZYHUDNBSSA-N 0 0 205.257 2.199 10 30 BEEERN Cc1nocc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000397880654 350985954 /nfs/dbraw/zinc/98/59/54/350985954.db2.gz MLIJLKSZDQBJQJ-ZYHUDNBSSA-N 0 0 219.288 2.155 10 30 BEEERN N#CCc1cc(C(F)(F)F)c(F)cn1 ZINC000306763889 350994903 /nfs/dbraw/zinc/99/49/03/350994903.db2.gz GPWYONWTNQJOIN-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN C[C@H]1CC[C@H](C(=O)N(CC#N)c2ccccc2)O1 ZINC000177694492 366019815 /nfs/dbraw/zinc/01/98/15/366019815.db2.gz DUDZMUPJPSPAEM-WCQYABFASA-N 0 0 244.294 2.111 10 30 BEEERN CC[S@@](=O)Nc1ccc(C#N)cc1Cl ZINC000306807631 351060520 /nfs/dbraw/zinc/06/05/20/351060520.db2.gz MWTAXJQJUZPVKE-CQSZACIVSA-N 0 0 228.704 2.307 10 30 BEEERN N#Cc1ccccc1[C@H]1CCCCN(C(N)=O)C1 ZINC000616627526 351095753 /nfs/dbraw/zinc/09/57/53/351095753.db2.gz JYHNASMMHCTRRI-LBPRGKRZSA-N 0 0 243.310 2.206 10 30 BEEERN N#Cc1ccccc1[C@@H]1CCCCN(C(N)=O)C1 ZINC000616628359 351097939 /nfs/dbraw/zinc/09/79/39/351097939.db2.gz JYHNASMMHCTRRI-GFCCVEGCSA-N 0 0 243.310 2.206 10 30 BEEERN CC(C)N1CCOC[C@H]1c1ccccc1C#N ZINC000616641580 351149678 /nfs/dbraw/zinc/14/96/78/351149678.db2.gz JIPITNBRJDTLNY-AWEZNQCLSA-N 0 0 230.311 2.340 10 30 BEEERN N#Cc1csc(CNCc2ccccn2)c1 ZINC000086500096 351165784 /nfs/dbraw/zinc/16/57/84/351165784.db2.gz FCXAQMBCZZPYMG-UHFFFAOYSA-N 0 0 229.308 2.305 10 30 BEEERN COC(=O)c1ccc(Cl)c(C#N)c1C ZINC000306858464 351185440 /nfs/dbraw/zinc/18/54/40/351185440.db2.gz ZHZRXQYCULEMQJ-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C[C@@H](CC#N)N(C)c1ccc(Cl)cn1 ZINC000063096009 351141410 /nfs/dbraw/zinc/14/14/10/351141410.db2.gz FNXRWSKWRJDXKR-QMMMGPOBSA-N 0 0 209.680 2.473 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000231744846 351287981 /nfs/dbraw/zinc/28/79/81/351287981.db2.gz FNYCVVJYKVJSDL-SNVBAGLBSA-N 0 0 249.314 2.490 10 30 BEEERN COc1cc(F)c(CC#N)c(F)c1F ZINC000306919840 351329226 /nfs/dbraw/zinc/32/92/26/351329226.db2.gz LGCAJVQTZOVFPS-UHFFFAOYSA-N 0 0 201.147 2.179 10 30 BEEERN C=C([C@H](O)c1ccccn1)C(F)(F)F ZINC000307066067 351462527 /nfs/dbraw/zinc/46/25/27/351462527.db2.gz UYADFRXKBNXHMK-QMMMGPOBSA-N 0 0 203.163 2.234 10 30 BEEERN C=CCSc1ccc(N)c2nonc21 ZINC000307128798 351492837 /nfs/dbraw/zinc/49/28/37/351492837.db2.gz DNEKEKXTQGHPLY-UHFFFAOYSA-N 0 0 207.258 2.083 10 30 BEEERN O=C[C@]1(C[C@@H]2CCCO2)CCCS1 ZINC000307145851 351499078 /nfs/dbraw/zinc/49/90/78/351499078.db2.gz JTUNQAXHGZISGF-VHSXEESVSA-N 0 0 200.303 2.020 10 30 BEEERN C#C[C@@H](C)Nc1ncc2ccsc2n1 ZINC000307114517 351486759 /nfs/dbraw/zinc/48/67/59/351486759.db2.gz SKHJLPHCOCJPMB-SSDOTTSWSA-N 0 0 203.270 2.125 10 30 BEEERN N#Cc1nccc(Cl)c1OC(F)F ZINC000307167089 351536105 /nfs/dbraw/zinc/53/61/05/351536105.db2.gz QQPMBNNXLRVHQE-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN O=C[C@@H]1CC[C@@H](c2ncc(Cl)s2)O1 ZINC000307167226 351537208 /nfs/dbraw/zinc/53/72/08/351537208.db2.gz QZYKPYMIZUIYJL-WDSKDSINSA-N 0 0 217.677 2.216 10 30 BEEERN C#C[C@H](C)N(C)Cc1cc(Br)co1 ZINC000307167567 351540340 /nfs/dbraw/zinc/54/03/40/351540340.db2.gz RZOAZEXELNGUIT-QMMMGPOBSA-N 0 0 242.116 2.496 10 30 BEEERN C#Cc1ccc(Oc2ccccc2N)nc1 ZINC000606302482 351555619 /nfs/dbraw/zinc/55/56/19/351555619.db2.gz NDROFOQXMHBTNJ-UHFFFAOYSA-N 0 0 210.236 2.437 10 30 BEEERN C=C(C)C(=O)c1cccc2c1OCCO2 ZINC000161116302 363079419 /nfs/dbraw/zinc/07/94/19/363079419.db2.gz NHIBGUILUJXVBN-UHFFFAOYSA-N 0 0 204.225 2.217 10 30 BEEERN Cc1ccc(CN[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000088135418 351624958 /nfs/dbraw/zinc/62/49/58/351624958.db2.gz WPSPVOXUBUMMLE-DGCLKSJQSA-N 0 0 215.300 2.172 10 30 BEEERN C[C@@]1(C=O)CC[C@]2(CCOC(C)(C)C2)O1 ZINC000307228357 351676075 /nfs/dbraw/zinc/67/60/75/351676075.db2.gz HWLRJPUGHMLOSI-NWDGAFQWSA-N 0 0 212.289 2.082 10 30 BEEERN N#Cc1sc(OC2CCOCC2)nc1Cl ZINC000307253628 351781075 /nfs/dbraw/zinc/78/10/75/351781075.db2.gz VSLDHHAIVWLVPH-UHFFFAOYSA-N 0 0 244.703 2.226 10 30 BEEERN N#C[C@]1(NCc2ccccc2)CC[C@@H]2C[C@@H]21 ZINC000307249861 351755535 /nfs/dbraw/zinc/75/55/35/351755535.db2.gz KMYYJGOIGCIZCJ-HZSPNIEDSA-N 0 0 212.296 2.468 10 30 BEEERN COC(=O)c1ccc(F)c(C#N)c1Cl ZINC000307273785 351828259 /nfs/dbraw/zinc/82/82/59/351828259.db2.gz KSORTBCUHVAMLL-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN CN[C@@](C)(C#N)c1c(F)cccc1Cl ZINC000307333877 352046036 /nfs/dbraw/zinc/04/60/36/352046036.db2.gz LPZDJKJLTJZSGZ-JTQLQIEISA-N 0 0 212.655 2.437 10 30 BEEERN N#CCCN(C(=O)Cc1ccccc1)C1CC1 ZINC000042548657 187603827 /nfs/dbraw/zinc/60/38/27/187603827.db2.gz KHBQRNDCDGKYNJ-UHFFFAOYSA-N 0 0 228.295 2.134 10 30 BEEERN N#CCCC(=O)c1ccc2c(c1)OCCCO2 ZINC000037674941 187597311 /nfs/dbraw/zinc/59/73/11/187597311.db2.gz NNJAZIPMSFVKLR-UHFFFAOYSA-N 0 0 231.251 2.334 10 30 BEEERN N#CCc1ccc(N2[C@@H]3CC[C@H]2CC(=O)C3)cc1 ZINC000054603342 187663140 /nfs/dbraw/zinc/66/31/40/187663140.db2.gz FVWQMPFXOLTYDJ-OKILXGFUSA-N 0 0 240.306 2.453 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000044765709 352393399 /nfs/dbraw/zinc/39/33/99/352393399.db2.gz BRDSESPQYDBNRT-MNOVXSKESA-N 0 0 238.331 2.000 10 30 BEEERN CCC(C#N)(CC)C(=O)NCC[C@@H]1CCCO1 ZINC000044767375 352393655 /nfs/dbraw/zinc/39/36/55/352393655.db2.gz CPUMVOSUGCAQLL-NSHDSACASA-N 0 0 238.331 2.002 10 30 BEEERN C#C[C@]1(O)C[C@@H](C)S[C@H]2CCCC[C@H]21 ZINC000004746859 187711800 /nfs/dbraw/zinc/71/18/00/187711800.db2.gz HMMPBKORGPXTEU-WYUUTHIRSA-N 0 0 210.342 2.435 10 30 BEEERN C[C@@]1(c2ccccc2F)CC[C@@H](C=O)O1 ZINC000307410717 352587030 /nfs/dbraw/zinc/58/70/30/352587030.db2.gz FPDYENQTORJGCU-CABZTGNLSA-N 0 0 208.232 2.419 10 30 BEEERN N#Cc1cc(Br)cc([N+](=O)[O-])c1F ZINC000307447638 352602888 /nfs/dbraw/zinc/60/28/88/352602888.db2.gz YBYWCWZONISTFE-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN O=C[C@H]1CC[C@@H](c2ccc(F)c(F)c2)O1 ZINC000307407404 352581792 /nfs/dbraw/zinc/58/17/92/352581792.db2.gz CKVHOZGPBBNPGV-KCJUWKMLSA-N 0 0 212.195 2.384 10 30 BEEERN C[C@H]1C[C@@H]1Nc1c(Cl)nsc1C#N ZINC000307540043 352644131 /nfs/dbraw/zinc/64/41/31/352644131.db2.gz QVWITDHECAALKE-WHFBIAKZSA-N 0 0 213.693 2.488 10 30 BEEERN N#C[C@@]1(Br)COc2ccccc2C1 ZINC000307494199 352624769 /nfs/dbraw/zinc/62/47/69/352624769.db2.gz QZBNKJJEFAFXOO-SNVBAGLBSA-N 0 0 238.084 2.279 10 30 BEEERN CCc1nc([C@H]2OCC[C@@H]2C#N)cs1 ZINC000307514979 352631522 /nfs/dbraw/zinc/63/15/22/352631522.db2.gz PCYHHJFUMYQSCX-XCBNKYQSSA-N 0 0 208.286 2.307 10 30 BEEERN C[C@H](C#N)N1CC[C@@H](c2ccccc2)C1 ZINC000224791074 363194060 /nfs/dbraw/zinc/19/40/60/363194060.db2.gz KHTCOYXDROKQHV-DGCLKSJQSA-N 0 0 200.285 2.388 10 30 BEEERN CC=CC(=O)Cc1c(Cl)c(C)nn1C ZINC000232472035 352740613 /nfs/dbraw/zinc/74/06/13/352740613.db2.gz MJIDRCJYRQBANU-SNAWJCMRSA-N 0 0 212.680 2.070 10 30 BEEERN C[C@]1(Cc2ccccc2)CC[C@H](C=O)O1 ZINC000307680634 352756564 /nfs/dbraw/zinc/75/65/64/352756564.db2.gz OTFWZHZVFRDELI-CHWSQXEVSA-N 0 0 204.269 2.366 10 30 BEEERN C=C(C(=O)OCC)[C@@H](O)c1ccccc1Cl ZINC000019835952 187884287 /nfs/dbraw/zinc/88/42/87/187884287.db2.gz BSRPDXCMAOIUOO-LLVKDONJSA-N 0 0 240.686 2.493 10 30 BEEERN C=CCSc1nc(C)nc(NC)c1C ZINC000307692206 352957721 /nfs/dbraw/zinc/95/77/21/352957721.db2.gz RNUGPKIJNKUSHQ-UHFFFAOYSA-N 0 0 209.318 2.413 10 30 BEEERN O=C[C@]1([C@@H]2CCCCC[C@@H]2O)CCCS1 ZINC000306731733 353036803 /nfs/dbraw/zinc/03/68/03/353036803.db2.gz QYSSGCRPZWDGIU-WOPDTQHZSA-N 0 0 228.357 2.392 10 30 BEEERN CC(C)N(CCC#N)c1ncccc1C#N ZINC000042530028 187947116 /nfs/dbraw/zinc/94/71/16/187947116.db2.gz KZBPFWNYPGIZHF-UHFFFAOYSA-N 0 0 214.272 2.082 10 30 BEEERN COC1([C@@H]2CC[C@H](C=O)O2)CCCCC1 ZINC000306241759 352998772 /nfs/dbraw/zinc/99/87/72/352998772.db2.gz MTIRVYDKPUJQKY-MNOVXSKESA-N 0 0 212.289 2.082 10 30 BEEERN Cc1ccc(C#N)c(N2C[C@@H]3CCC[C@@H]32)n1 ZINC000334397313 353065397 /nfs/dbraw/zinc/06/53/97/353065397.db2.gz CPYDIHTUWBTAQW-RYUDHWBXSA-N 0 0 213.284 2.250 10 30 BEEERN N#Cc1cc(NC[C@@H]2CCCO2)ccc1F ZINC000051636880 187953952 /nfs/dbraw/zinc/95/39/52/187953952.db2.gz KPAJDQMCRBNIME-NSHDSACASA-N 0 0 220.247 2.288 10 30 BEEERN SCc1c(C2CC2)nn2cccnc12 ZINC000071471170 187960119 /nfs/dbraw/zinc/96/01/19/187960119.db2.gz CNVVFMXNBOHMQA-UHFFFAOYSA-N 0 0 205.286 2.037 10 30 BEEERN CNc1c(C)cc([N+](=O)[O-])cc1Br ZINC000306967598 353047221 /nfs/dbraw/zinc/04/72/21/353047221.db2.gz GTDQOGFCDOSBLK-PTRCIOPASA-N 0 0 245.076 2.146 10 30 BEEERN CC1(C)O[C@](C)(c2ccccc2)[C@@H]2O[C@@H]21 ZINC000169344287 187991083 /nfs/dbraw/zinc/99/10/83/187991083.db2.gz WTZYTXUYRNYYGF-DMDPSCGWSA-N 0 0 204.269 2.478 10 30 BEEERN C[C@@H]1SCCS[C@H]1C(=O)C1=COCCC1 ZINC000160029840 353100616 /nfs/dbraw/zinc/10/06/16/353100616.db2.gz NZZRZKSVERRVJS-GZMMTYOYSA-N 0 0 244.381 2.487 10 30 BEEERN C=CC[C@H](NC(=O)OC(C)(C)C)C(C)=O ZINC000039093749 188007226 /nfs/dbraw/zinc/00/72/26/188007226.db2.gz VZMYXWBRBWDCND-VIFPVBQESA-N 0 0 213.277 2.045 10 30 BEEERN C=CCc1ccc(O)c(OCC(C)=O)c1 ZINC000064219099 188014183 /nfs/dbraw/zinc/01/41/83/188014183.db2.gz NQJORQSRECFFOI-UHFFFAOYSA-N 0 0 206.241 2.089 10 30 biogenic,in-vitro BEEERN C=CC(=O)[C@@H]1CCOC2(CCSCC2)C1 ZINC000232554491 353128043 /nfs/dbraw/zinc/12/80/43/353128043.db2.gz WDEHQIBDBRHKHW-SNVBAGLBSA-N 0 0 226.341 2.434 10 30 BEEERN N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)o1 ZINC000245544854 188019469 /nfs/dbraw/zinc/01/94/69/188019469.db2.gz SQVCGWBYPWWOBA-ZIAGYGMSSA-N 0 0 246.310 2.295 10 30 BEEERN C=C[C@@H](C)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC000229321521 353119941 /nfs/dbraw/zinc/11/99/41/353119941.db2.gz XAASRIUPJMKMDA-RXMQYKEDSA-N 0 0 228.639 2.025 10 30 BEEERN CC#CCNc1nc(Cl)ncc1Cl ZINC000229321915 353120486 /nfs/dbraw/zinc/12/04/86/353120486.db2.gz AFGPXZGCOIXHGX-UHFFFAOYSA-N 0 0 216.071 2.219 10 30 BEEERN C#CC[C@H](C)Nc1nc(Cl)ncc1F ZINC000229327327 353120754 /nfs/dbraw/zinc/12/07/54/353120754.db2.gz MVNDHGOEFCPGNK-LURJTMIESA-N 0 0 213.643 2.093 10 30 BEEERN COc1cncc(C#Cc2nc(C)cs2)c1 ZINC000039111205 188042424 /nfs/dbraw/zinc/04/24/24/188042424.db2.gz GDBDCYLSTGSJRI-UHFFFAOYSA-N 0 0 230.292 2.255 10 30 BEEERN C=CCn1c2cc(C)c(C)cc2nc1CO ZINC000040308819 188043303 /nfs/dbraw/zinc/04/33/03/188043303.db2.gz WBZGXLHSXZJHMA-UHFFFAOYSA-N 0 0 216.284 2.331 10 30 BEEERN C#C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000039405001 188043389 /nfs/dbraw/zinc/04/33/89/188043389.db2.gz VBSWZRQVLSTNJR-VIFPVBQESA-N 0 0 200.159 2.372 10 30 BEEERN N#Cc1cnc(N2C[C@@H]3CCCCC[C@H]32)cn1 ZINC000364282344 188003550 /nfs/dbraw/zinc/00/35/50/188003550.db2.gz WLDHZNXMIVYHDV-CMPLNLGQSA-N 0 0 228.299 2.117 10 30 BEEERN N#CCCCNc1ccc2c(c1)OCO2 ZINC000020056451 188004086 /nfs/dbraw/zinc/00/40/86/188004086.db2.gz FTXWKTDVORBBKJ-UHFFFAOYSA-N 0 0 204.229 2.131 10 30 BEEERN C=C[C@@H]([C@H](O)C(C)C)n1nnc2ccccc21 ZINC000005633436 188052048 /nfs/dbraw/zinc/05/20/48/188052048.db2.gz LSUIFBXNSAGFRG-WCQYABFASA-N 0 0 231.299 2.175 10 30 BEEERN C#CC[C@H](O)Cc1cccc(Br)c1 ZINC000051074434 353173504 /nfs/dbraw/zinc/17/35/04/353173504.db2.gz NYAMPXQMAFHDFH-NSHDSACASA-N 0 0 239.112 2.376 10 30 BEEERN CCCc1nsc(N[C@@H]2CCC[C@@H]2C#N)n1 ZINC000336757055 353160442 /nfs/dbraw/zinc/16/04/42/353160442.db2.gz HLEGPYNJMZODLE-RKDXNWHRSA-N 0 0 236.344 2.017 10 30 BEEERN C=CCNC(=O)CNc1ccc(Cl)cc1 ZINC000032014884 166370318 /nfs/dbraw/zinc/37/03/18/166370318.db2.gz OKHZAWFOMKYDGN-UHFFFAOYSA-N 0 0 224.691 2.054 10 30 BEEERN Cc1cnc([C@H](C)NC(=O)C2(C)COC2)o1 ZINC000329472408 538109074 /nfs/dbraw/zinc/10/90/74/538109074.db2.gz SGDDGTVAGKPPKC-QMMMGPOBSA-N 0 0 224.260 2.037 10 30 BEEERN FC(F)C(F)(F)COC(F)(F)F ZINC000072265699 180899884 /nfs/dbraw/zinc/89/98/84/180899884.db2.gz XLJTWSJIJSUZLQ-UHFFFAOYSA-N 0 0 200.053 2.423 10 30 BEEERN CCCn1nccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000160141009 353259743 /nfs/dbraw/zinc/25/97/43/353259743.db2.gz NPPHZSDLNABRTH-DGCLKSJQSA-N 0 0 232.331 2.075 10 30 BEEERN C=C(C)COc1c(OC)cc(C=O)cc1OC ZINC000035663107 188233936 /nfs/dbraw/zinc/23/39/36/188233936.db2.gz LKZXVMQGTRGZBC-UHFFFAOYSA-N 0 0 236.267 2.471 10 30 BEEERN N#Cc1ccc(C(=O)Nc2ccc(F)cc2)cn1 ZINC000114995641 188245396 /nfs/dbraw/zinc/24/53/96/188245396.db2.gz FLBYPBUAEXFCPS-UHFFFAOYSA-N 0 0 241.225 2.345 10 30 BEEERN N#Cc1cnc(C#N)c(Nc2ccc(F)cc2)n1 ZINC000090568389 188271956 /nfs/dbraw/zinc/27/19/56/188271956.db2.gz QWVKQDGILZHGJU-UHFFFAOYSA-N 0 0 239.213 2.103 10 30 BEEERN N#CCCCCCCn1cc([N+](=O)[O-])cn1 ZINC000067799730 188275574 /nfs/dbraw/zinc/27/55/74/188275574.db2.gz SXGRUYLWXYSVJY-UHFFFAOYSA-N 0 0 222.248 2.265 10 30 BEEERN CCc1ccc(OCC[C@@H](C#N)NC)cc1 ZINC000019666966 188281804 /nfs/dbraw/zinc/28/18/04/188281804.db2.gz BXDNFNBTKJGPSA-LBPRGKRZSA-N 0 0 218.300 2.129 10 30 BEEERN COc1ccc([C@H](C#N)NC[C@H]2CCCO2)cc1 ZINC000037940145 188288852 /nfs/dbraw/zinc/28/88/52/188288852.db2.gz FLECDRRJULASFF-KGLIPLIRSA-N 0 0 246.310 2.028 10 30 BEEERN N#C[C@]1(NC[C@H]2CCCO2)CCc2ccccc21 ZINC000037940043 188289406 /nfs/dbraw/zinc/28/94/06/188289406.db2.gz DCHPMWGVEIDAMZ-UKRRQHHQSA-N 0 0 242.322 2.120 10 30 BEEERN N#C[C@@]1(NC[C@H]2CCCO2)CCc2ccccc21 ZINC000037940042 188289695 /nfs/dbraw/zinc/28/96/95/188289695.db2.gz DCHPMWGVEIDAMZ-HIFRSBDPSA-N 0 0 242.322 2.120 10 30 BEEERN C=C(F)C(=O)c1ccccc1C(=O)OC ZINC000039055474 188290441 /nfs/dbraw/zinc/29/04/41/188290441.db2.gz YADPBLATRYKDHZ-UHFFFAOYSA-N 0 0 208.188 2.139 10 30 BEEERN CC(C)N(CCC#N)CCOCC(F)(F)F ZINC000042530805 188293300 /nfs/dbraw/zinc/29/33/00/188293300.db2.gz RCFICTQBMYRTFL-UHFFFAOYSA-N 0 0 238.253 2.189 10 30 BEEERN C[C@@H](CC#N)C(=O)N1CCc2ccccc2C1 ZINC000049821162 188299246 /nfs/dbraw/zinc/29/92/46/188299246.db2.gz XVJUXNIWBCQKRI-NSHDSACASA-N 0 0 228.295 2.121 10 30 BEEERN N#Cc1cc(NCc2cc[nH]n2)ccc1F ZINC000051635891 188299698 /nfs/dbraw/zinc/29/96/98/188299698.db2.gz BWGYBINTQLJVOR-UHFFFAOYSA-N 0 0 216.219 2.033 10 30 BEEERN COc1ccc(C(=O)CS)cc1Cl ZINC000057498059 188301939 /nfs/dbraw/zinc/30/19/39/188301939.db2.gz LMXQRUKBACVSPQ-UHFFFAOYSA-N 0 0 216.689 2.461 10 30 BEEERN C/C(=N\O)c1ccc(-n2ccnc2)c(F)c1 ZINC000058824543 188302732 /nfs/dbraw/zinc/30/27/32/188302732.db2.gz ACIIDOUYUIKTPE-RIYZIHGNSA-N 0 0 219.219 2.210 10 30 BEEERN CC(=O)CC(C)N=Nc1ccccc1[N+](=O)[O-] ZINC000101404889 188322845 /nfs/dbraw/zinc/32/28/45/188322845.db2.gz LSZLFRCURCITKX-XYOKQWHBSA-N 0 0 235.243 2.362 10 30 BEEERN N#Cc1ccc(C(=O)c2ccccc2)c(CO)c1 ZINC000077300700 188311398 /nfs/dbraw/zinc/31/13/98/188311398.db2.gz HDZCEZABFXPUMT-UHFFFAOYSA-N 0 0 237.258 2.282 10 30 in-vitro BEEERN C=CCCC(=O)NCc1nccn1CC(C)C ZINC000131106723 353361977 /nfs/dbraw/zinc/36/19/77/353361977.db2.gz FLABAUAHFHYKIN-UHFFFAOYSA-N 0 0 235.331 2.122 10 30 BEEERN C[C@@H](CC#N)C(=O)NC1CCCCCC1 ZINC000049814300 188327503 /nfs/dbraw/zinc/32/75/03/188327503.db2.gz UTXWNLJCCHKODD-JTQLQIEISA-N 0 0 208.305 2.375 10 30 BEEERN C[C@@H](CC#N)C(=O)Nc1cccc(F)c1 ZINC000049813341 188327796 /nfs/dbraw/zinc/32/77/96/188327796.db2.gz DMQRPDKBBCZNCW-QMMMGPOBSA-N 0 0 206.220 2.314 10 30 BEEERN CCN(C[C@@H](C)C#N)C(=O)c1ccc(C)nc1C ZINC000054701385 353340829 /nfs/dbraw/zinc/34/08/29/353340829.db2.gz RLMCQKYREYHNHE-JTQLQIEISA-N 0 0 245.326 2.320 10 30 BEEERN O=[N+]([O-])c1cc(/C=N\O)ccc1N1CCCC1 ZINC000100237452 188334196 /nfs/dbraw/zinc/33/41/96/188334196.db2.gz MNAFCQXXESLFJC-WQLSENKSSA-N 0 0 235.243 2.003 10 30 BEEERN C[Si](C)(C)C#Cc1cc(F)cnc1N ZINC000170025793 188338480 /nfs/dbraw/zinc/33/84/80/188338480.db2.gz ITZOUBOIAZVSGJ-UHFFFAOYSA-N 0 0 208.312 2.032 10 30 BEEERN CC(C)C[C@@H](/C=N/O)NC(=O)OC(C)(C)C ZINC000165586675 353395723 /nfs/dbraw/zinc/39/57/23/353395723.db2.gz VOFZLOCNYDECEY-SZUMLMDFSA-N 0 0 230.308 2.386 10 30 BEEERN N#Cc1cnc(N2C[C@H]3CCCCC[C@H]32)cn1 ZINC000364282355 188350527 /nfs/dbraw/zinc/35/05/27/188350527.db2.gz WLDHZNXMIVYHDV-ZYHUDNBSSA-N 0 0 228.299 2.117 10 30 BEEERN Cc1cnc(-c2cccc(C#N)n2)nc1Cl ZINC000072204230 188364637 /nfs/dbraw/zinc/36/46/37/188364637.db2.gz HLFQXEYOAYGJNP-UHFFFAOYSA-N 0 0 230.658 2.372 10 30 BEEERN CC(=NO)c1cccc(OC(F)F)c1 ZINC000252370135 363230563 /nfs/dbraw/zinc/23/05/63/363230563.db2.gz UESLLYFSTNLUAZ-UHFFFAOYSA-N 0 0 201.172 2.486 10 30 BEEERN C=CCCCN(C)C(=O)c1cccc(OC)c1O ZINC000134879769 353517474 /nfs/dbraw/zinc/51/74/74/353517474.db2.gz RSWSSVSZFBTPMS-UHFFFAOYSA-N 0 0 249.310 2.439 10 30 BEEERN C=CCCCN(C)C(=O)c1cccc(C)n1 ZINC000135078021 353525610 /nfs/dbraw/zinc/52/56/10/353525610.db2.gz LSRFGGLIKNQYTE-UHFFFAOYSA-N 0 0 218.300 2.428 10 30 BEEERN CC#CCNC(=O)N[C@H]1CCc2c1cccc2F ZINC000135201101 353539948 /nfs/dbraw/zinc/53/99/48/353539948.db2.gz ROVDDLZGLJSMRP-ZDUSSCGKSA-N 0 0 246.285 2.136 10 30 BEEERN N#Cc1ccc(CN[C@H]2CCC[C@@H]2C#N)s1 ZINC000135529213 353565369 /nfs/dbraw/zinc/56/53/69/353565369.db2.gz VWSHZDMYHFJGGD-SKDRFNHKSA-N 0 0 231.324 2.402 10 30 BEEERN C#C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000186002129 353864069 /nfs/dbraw/zinc/86/40/69/353864069.db2.gz AXSKJXBUFKDZGH-GDPRMGEGSA-N 0 0 249.260 2.206 10 30 BEEERN N#CNC(=NC1CCCCC1)Nc1ccccn1 ZINC000026577557 181026207 /nfs/dbraw/zinc/02/62/07/181026207.db2.gz MMCGITJJLOOFFU-UHFFFAOYSA-N 0 0 243.314 2.253 10 30 BEEERN N#CC1(C(=O)Nc2ncc[nH]2)CCCCCC1 ZINC000104101736 181028991 /nfs/dbraw/zinc/02/89/91/181028991.db2.gz JXPMVDSODLMLCC-UHFFFAOYSA-N 0 0 232.287 2.212 10 30 BEEERN N#CC1(NCc2ccccn2)CCCC1 ZINC000020177831 181030286 /nfs/dbraw/zinc/03/02/86/181030286.db2.gz DBTDAXCRETWBRN-UHFFFAOYSA-N 0 0 201.273 2.008 10 30 BEEERN N#CCCN(C(=O)c1ccccc1F)C1CC1 ZINC000038108408 181037248 /nfs/dbraw/zinc/03/72/48/181037248.db2.gz BGPIGGXUZSNUFV-UHFFFAOYSA-N 0 0 232.258 2.344 10 30 BEEERN N#CCCN(C1CC1)[C@H]1CCCC[C@@H]1C#N ZINC000042531180 181037334 /nfs/dbraw/zinc/03/73/34/181037334.db2.gz YBNIEGSKWHLRSO-YPMHNXCESA-N 0 0 217.316 2.447 10 30 BEEERN N#CCNCc1ccccc1Br ZINC000042419398 181043379 /nfs/dbraw/zinc/04/33/79/181043379.db2.gz AWQFXXXVAQPVSM-UHFFFAOYSA-N 0 0 225.089 2.062 10 30 BEEERN N#CCNc1ccccc1Br ZINC000020051590 181043438 /nfs/dbraw/zinc/04/34/38/181043438.db2.gz NYQRQFVVLUILHA-UHFFFAOYSA-N 0 0 211.062 2.385 10 30 BEEERN N#CCOc1ccc(N)cc1C(F)(F)F ZINC000042411070 181043884 /nfs/dbraw/zinc/04/38/84/181043884.db2.gz BGGLVKXLCDEASP-UHFFFAOYSA-N 0 0 216.162 2.190 10 30 BEEERN N#CCOc1ccc(NC[C@@H]2CCOC2)cc1 ZINC000020126537 181043910 /nfs/dbraw/zinc/04/39/10/181043910.db2.gz DDEDGNIMDBFTCM-NSHDSACASA-N 0 0 232.283 2.037 10 30 BEEERN N#CC[C@@H](N[C@@H]1CCCOC1)c1ccccc1 ZINC000103954937 181044928 /nfs/dbraw/zinc/04/49/28/181044928.db2.gz JNQKAQHYZTVUPY-ZIAGYGMSSA-N 0 0 230.311 2.410 10 30 BEEERN N#CC[C@@H]1NCCc2ccc(Cl)cc21 ZINC000083667127 181046135 /nfs/dbraw/zinc/04/61/35/181046135.db2.gz VGGZMDVUQQCMJM-NSHDSACASA-N 0 0 206.676 2.440 10 30 BEEERN N#CCc1nc2ccccc2n1[C@H]1CCOC1 ZINC000070073204 181049643 /nfs/dbraw/zinc/04/96/43/181049643.db2.gz KJZVKKANPLIXOH-JTQLQIEISA-N 0 0 227.267 2.064 10 30 BEEERN N#CCc1ncc(-c2ccc3c(c2)OCCO3)o1 ZINC000040543122 181049879 /nfs/dbraw/zinc/04/98/79/181049879.db2.gz GPCXNSDGPOQJAR-UHFFFAOYSA-N 0 0 242.234 2.179 10 30 BEEERN N#C[C@@H](CCOc1ccc(F)cc1)NC1CC1 ZINC000062446597 181054367 /nfs/dbraw/zinc/05/43/67/181054367.db2.gz COAITXXUVKYDML-GFCCVEGCSA-N 0 0 234.274 2.239 10 30 BEEERN N#C[C@@H](C(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000050963782 181054640 /nfs/dbraw/zinc/05/46/40/181054640.db2.gz UZOKIGHKBLLSTN-OLZOCXBDSA-N 0 0 229.279 2.432 10 30 BEEERN N#C[C@@H](C(=O)[C@@H]1CCCOC1)c1ccc(F)cc1 ZINC000062235915 181054803 /nfs/dbraw/zinc/05/48/03/181054803.db2.gz BWSHQTOOQFLAGX-DGCLKSJQSA-N 0 0 247.269 2.429 10 30 BEEERN N#C[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000034428949 181055439 /nfs/dbraw/zinc/05/54/39/181055439.db2.gz JYAWJCHHTOMLCK-CQSZACIVSA-N 0 0 242.322 2.381 10 30 BEEERN N#C[C@@H](N)CCOc1ccc2ccccc2c1 ZINC000019666744 181055559 /nfs/dbraw/zinc/05/55/59/181055559.db2.gz PNMORGWVMGBMLT-ZDUSSCGKSA-N 0 0 226.279 2.460 10 30 BEEERN N#C[C@@H](N)CSc1ccccc1Cl ZINC000045363828 181056351 /nfs/dbraw/zinc/05/63/51/181056351.db2.gz PZQSQLIUFQESKS-SSDOTTSWSA-N 0 0 212.705 2.283 10 30 BEEERN N#C[C@@H](N)COc1ccc2ccccc2c1 ZINC000019665974 181056400 /nfs/dbraw/zinc/05/64/00/181056400.db2.gz LJDATLVQSSKKMG-GFCCVEGCSA-N 0 0 212.252 2.069 10 30 BEEERN N#C[C@@H](N)COc1cccc2ccccc21 ZINC000019665980 181056526 /nfs/dbraw/zinc/05/65/26/181056526.db2.gz QHKCELNHKYPREA-LLVKDONJSA-N 0 0 212.252 2.069 10 30 BEEERN N#C[C@@H](N)COc1cc(Cl)cc(Cl)c1 ZINC000019666075 181056605 /nfs/dbraw/zinc/05/66/05/181056605.db2.gz IMFKVCXLLFBSFW-MRVPVSSYSA-N 0 0 231.082 2.223 10 30 BEEERN N#CCc1ccc(NCCn2cccn2)cc1 ZINC000051601303 181048517 /nfs/dbraw/zinc/04/85/17/181048517.db2.gz OIIPPPOSTFNBBL-UHFFFAOYSA-N 0 0 226.283 2.061 10 30 BEEERN N#C[C@H](Cc1ccccc1)N1CCCC1 ZINC000035229592 181063351 /nfs/dbraw/zinc/06/33/51/181063351.db2.gz RVMGPMJVOPROMO-ZDUSSCGKSA-N 0 0 200.285 2.217 10 30 BEEERN N#C[C@H](CC1CCCCC1)N1CCOCC1 ZINC000082290611 181064154 /nfs/dbraw/zinc/06/41/54/181064154.db2.gz LNIVBCNAXWCTNY-ZDUSSCGKSA-N 0 0 222.332 2.181 10 30 BEEERN N#C[C@H](N)COc1cccc2ccccc21 ZINC000019665982 181064792 /nfs/dbraw/zinc/06/47/92/181064792.db2.gz QHKCELNHKYPREA-NSHDSACASA-N 0 0 212.252 2.069 10 30 BEEERN N#C[C@H](Nc1ccccc1F)[C@@H]1CCOC1 ZINC000037938887 181066904 /nfs/dbraw/zinc/06/69/04/181066904.db2.gz YTLJAEMAYYBCRE-SKDRFNHKSA-N 0 0 220.247 2.166 10 30 BEEERN N#C[C@H](NC1CCCC1)c1cccnc1 ZINC000019985850 181066006 /nfs/dbraw/zinc/06/60/06/181066006.db2.gz ZDPPEKFSOFGWQG-LBPRGKRZSA-N 0 0 201.273 2.178 10 30 BEEERN N#C[C@H](NCCO)c1c(Cl)cccc1Cl ZINC000020177116 181066356 /nfs/dbraw/zinc/06/63/56/181066356.db2.gz KMYBMNWFFLFPQG-VIFPVBQESA-N 0 0 245.109 2.140 10 30 BEEERN N#C[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000011894235 181058249 /nfs/dbraw/zinc/05/82/49/181058249.db2.gz QSHUZOVAEGYTMC-QMMMGPOBSA-N 0 0 220.659 2.216 10 30 BEEERN N#C[C@@H]1CCCCC[C@H]1Sc1nc[nH]n1 ZINC000037154424 181058900 /nfs/dbraw/zinc/05/89/00/181058900.db2.gz ZCDPMOSOQPABFT-DTWKUNHWSA-N 0 0 222.317 2.369 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1n1cc([N+](=O)[O-])cn1 ZINC000043598203 181059027 /nfs/dbraw/zinc/05/90/27/181059027.db2.gz RUGWCYHCBIUQOX-WPRPVWTQSA-N 0 0 220.232 2.046 10 30 BEEERN N#C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC000057524712 181059843 /nfs/dbraw/zinc/05/98/43/181059843.db2.gz FUPVOLRYYZLJIF-NSHDSACASA-N 0 0 234.686 2.468 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000336415288 181060016 /nfs/dbraw/zinc/06/00/16/181060016.db2.gz SKYUTBSJRLBVGU-CBAPKCEASA-N 0 0 237.690 2.090 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000054829756 181060770 /nfs/dbraw/zinc/06/07/70/181060770.db2.gz VOPXOSLUEGOMJH-WCQYABFASA-N 0 0 245.282 2.377 10 30 BEEERN N#C[C@H](C(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000050963784 181062844 /nfs/dbraw/zinc/06/28/44/181062844.db2.gz UZOKIGHKBLLSTN-STQMWFEESA-N 0 0 229.279 2.432 10 30 BEEERN N#C[C@H](C(=O)[C@@H]1CCOC1)c1ccccc1F ZINC000049671723 181062908 /nfs/dbraw/zinc/06/29/08/181062908.db2.gz NZCZIOCNHPJGKT-KOLCDFICSA-N 0 0 233.242 2.038 10 30 BEEERN N#Cc1c(=O)[nH]ccc1-c1cccc([N+](=O)[O-])c1 ZINC000041284602 181071629 /nfs/dbraw/zinc/07/16/29/181071629.db2.gz BTTRPGBXOGATBG-UHFFFAOYSA-N 0 0 241.206 2.234 10 30 BEEERN N#C[C@]1(Nc2ccccc2F)CN2CCC1CC2 ZINC000037939024 181072084 /nfs/dbraw/zinc/07/20/84/181072084.db2.gz NCNINGPOFSDDTL-AWEZNQCLSA-N 0 0 245.301 2.226 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1n1cc([N+](=O)[O-])cn1 ZINC000043598200 181069221 /nfs/dbraw/zinc/06/92/21/181069221.db2.gz RUGWCYHCBIUQOX-SCZZXKLOSA-N 0 0 220.232 2.046 10 30 BEEERN N#Cc1cc(Br)cc2c1NCC2 ZINC000076188338 181081914 /nfs/dbraw/zinc/08/19/14/181081914.db2.gz NSNZIYHARLCXJN-UHFFFAOYSA-N 0 0 223.073 2.289 10 30 BEEERN N#Cc1c(F)cccc1NC[C@@H]1CCC[C@@H]1O ZINC000097093834 181076542 /nfs/dbraw/zinc/07/65/42/181076542.db2.gz WPMIBHBWKINDPS-ZANVPECISA-N 0 0 234.274 2.270 10 30 BEEERN N#Cc1c[nH]nc1-c1cc2ccccc2[nH]1 ZINC000090562822 181080583 /nfs/dbraw/zinc/08/05/83/181080583.db2.gz KVWAMHSJALGWRY-UHFFFAOYSA-N 0 0 208.224 2.430 10 30 BEEERN N#Cc1cc(C(F)(F)F)cc2n[nH]cc21 ZINC000089196497 181085108 /nfs/dbraw/zinc/08/51/08/181085108.db2.gz PTUGPJIDWKQZPW-UHFFFAOYSA-N 0 0 211.146 2.453 10 30 BEEERN N#Cc1cc(F)ccc1NC1CCC(O)CC1 ZINC000111026502 181088175 /nfs/dbraw/zinc/08/81/75/181088175.db2.gz WDKZDDKEIZKVDN-UHFFFAOYSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1cc(F)ccc1NCC(F)F ZINC000075060165 181088416 /nfs/dbraw/zinc/08/84/16/181088416.db2.gz WPEZKEZGQLUKQJ-UHFFFAOYSA-N 0 0 200.163 2.374 10 30 BEEERN N#Cc1ccc(-c2ccccc2F)nc1N ZINC000050871138 181095955 /nfs/dbraw/zinc/09/59/55/181095955.db2.gz GMKFNJPFMUQDBO-UHFFFAOYSA-N 0 0 213.215 2.342 10 30 BEEERN N#Cc1ccc(C(=O)Cn2cc(Cl)cn2)cc1 ZINC000038053801 181097117 /nfs/dbraw/zinc/09/71/17/181097117.db2.gz PXFCDDVLTSZILR-UHFFFAOYSA-N 0 0 245.669 2.291 10 30 BEEERN N#Cc1ccc(COc2cccnc2N)cc1 ZINC000026515103 181111019 /nfs/dbraw/zinc/11/10/19/181111019.db2.gz JUWCIQGUBLKIAJ-UHFFFAOYSA-N 0 0 225.251 2.114 10 30 BEEERN N#Cc1ccc(F)c(COC[C@H]2CCOC2)c1 ZINC000049690061 181112402 /nfs/dbraw/zinc/11/24/02/181112402.db2.gz JDLREMXSNZNLQW-NSHDSACASA-N 0 0 235.258 2.250 10 30 BEEERN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2C[C@H]2C=O)C1 ZINC000306544389 259454950 /nfs/dbraw/zinc/45/49/50/259454950.db2.gz UXXJLVKSRXHBGN-GARJFASQSA-N 0 0 239.315 2.078 10 30 BEEERN N#Cc1ccc(NC(=O)C2CCCC2)cn1 ZINC000040390860 181117320 /nfs/dbraw/zinc/11/73/20/181117320.db2.gz ZYXDFHKBZQMKCM-UHFFFAOYSA-N 0 0 215.256 2.082 10 30 BEEERN N#Cc1ccc(NC2(CO)CCCC2)c(F)c1 ZINC000053070965 181119566 /nfs/dbraw/zinc/11/95/66/181119566.db2.gz OOPDGCXXRIFRCM-UHFFFAOYSA-N 0 0 234.274 2.414 10 30 BEEERN N#Cc1ccc(NCc2ccc[nH]2)cc1C#N ZINC000083351794 181123925 /nfs/dbraw/zinc/12/39/25/181123925.db2.gz QYPSDMKCRPODHM-UHFFFAOYSA-N 0 0 222.251 2.370 10 30 BEEERN N#Cc1ccc(N[C@H]2CCC[C@H]2O)c(F)c1 ZINC000168324765 181126347 /nfs/dbraw/zinc/12/63/47/181126347.db2.gz PXKVJTKWVWWKEA-NWDGAFQWSA-N 0 0 220.247 2.023 10 30 BEEERN N#Cc1ccc(NCc2cccc(N)c2)nc1 ZINC000052925942 181123416 /nfs/dbraw/zinc/12/34/16/181123416.db2.gz CFHAQIWFXITNAX-UHFFFAOYSA-N 0 0 224.267 2.148 10 30 BEEERN N#Cc1ccc2nc(-c3cccnc3)n(O)c2c1 ZINC000253572158 181133149 /nfs/dbraw/zinc/13/31/49/181133149.db2.gz PWEHWVORWRHKOL-UHFFFAOYSA-N 0 0 236.234 2.207 10 30 BEEERN N#Cc1ccc(Sc2ncccc2N)nc1 ZINC000042143619 181130234 /nfs/dbraw/zinc/13/02/34/181130234.db2.gz ZXTNZQZDGFHKCW-UHFFFAOYSA-N 0 0 228.280 2.082 10 30 BEEERN N#Cc1cccc(NC(=O)CCOCC2CC2)c1 ZINC000019870812 181140249 /nfs/dbraw/zinc/14/02/49/181140249.db2.gz ZYVCDTYOFGUQNB-UHFFFAOYSA-N 0 0 244.294 2.313 10 30 BEEERN N#Cc1cccc(O[C@@H]2CCCC[C@@H]2O)c1 ZINC000037691610 181142749 /nfs/dbraw/zinc/14/27/49/181142749.db2.gz SEISQONNRWDHFQ-QWHCGFSZSA-N 0 0 217.268 2.241 10 30 BEEERN N#Cc1cccc(NC2N=NC(=S)S2)c1 ZINC000020581757 181143081 /nfs/dbraw/zinc/14/30/81/181143081.db2.gz LNOUIUDVVIAKOI-UHFFFAOYSA-N 0 0 234.309 2.442 10 30 BEEERN N#Cc1ccccc1NC1CCC(O)CC1 ZINC000015584385 181147907 /nfs/dbraw/zinc/14/79/07/181147907.db2.gz UFKSRFRJPCYENU-UHFFFAOYSA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1ccccc1Oc1ccc(C(N)=O)cc1 ZINC000020296942 181149925 /nfs/dbraw/zinc/14/99/25/181149925.db2.gz VNGXUPBBHQVKJQ-UHFFFAOYSA-N 0 0 238.246 2.449 10 30 BEEERN N#Cc1ccccc1[C@H](N)C(F)(F)F ZINC000072191399 181151442 /nfs/dbraw/zinc/15/14/42/181151442.db2.gz DGGKCLUWNDUVNQ-QMMMGPOBSA-N 0 0 200.163 2.120 10 30 BEEERN Cc1occc1C(=O)NC1(C#N)CCCC1 ZINC000040216360 358489284 /nfs/dbraw/zinc/48/92/84/358489284.db2.gz RJPBLEJDSQVVEZ-UHFFFAOYSA-N 0 0 218.256 2.154 10 30 BEEERN C[C@@H](C#N)NC(=O)c1cccc2ccccc21 ZINC000040350307 358489238 /nfs/dbraw/zinc/48/92/38/358489238.db2.gz JHXOXEIJFCDYHW-JTQLQIEISA-N 0 0 224.263 2.482 10 30 BEEERN C=C[C@@H]([NH2+]C)c1ccc(Br)o1 ZINC000130578986 363385433 /nfs/dbraw/zinc/38/54/33/363385433.db2.gz YIJYDCQEBGWREQ-ZCFIWIBFSA-N 0 0 216.078 2.489 10 30 BEEERN N#CC1(C(=O)N2C[C@@H]3CCC[C@@H]32)CCCC1 ZINC000335144401 354852297 /nfs/dbraw/zinc/85/22/97/354852297.db2.gz CZZAMSCDDOYAII-QWRGUYRKSA-N 0 0 218.300 2.081 10 30 BEEERN N#Cc1ccnc(OCCCc2ccncc2)c1 ZINC000034958544 181158095 /nfs/dbraw/zinc/15/80/95/181158095.db2.gz RPORRXKPDKDZHX-UHFFFAOYSA-N 0 0 239.278 2.360 10 30 BEEERN N#Cc1nc2ccc(Cl)cc2nc1C#N ZINC000001733179 181169712 /nfs/dbraw/zinc/16/97/12/181169712.db2.gz PDDDTAWAZRWZNE-UHFFFAOYSA-N 0 0 214.615 2.027 10 30 BEEERN N#Cc1ncccc1COc1ccccc1O ZINC000061659420 181170269 /nfs/dbraw/zinc/17/02/69/181170269.db2.gz IKVHYVCBSREQJJ-UHFFFAOYSA-N 0 0 226.235 2.238 10 30 BEEERN N#Cc1csc(I)c1 ZINC000086690226 181166580 /nfs/dbraw/zinc/16/65/80/181166580.db2.gz OHFYYYKHHMNDIV-UHFFFAOYSA-N 0 0 235.049 2.224 10 30 BEEERN N#Cc1nc(-c2cccc(Cl)c2)oc1N ZINC000034618028 181166952 /nfs/dbraw/zinc/16/69/52/181166952.db2.gz IHAQNIOJHABJKV-UHFFFAOYSA-N 0 0 219.631 2.449 10 30 BEEERN N#Cc1nc(Br)sc1Cl ZINC000038478265 181167647 /nfs/dbraw/zinc/16/76/47/181167647.db2.gz LXXQTAQGOANSLV-UHFFFAOYSA-N 0 0 223.482 2.431 10 30 BEEERN N#Cc1nccnc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC000054378176 181174828 /nfs/dbraw/zinc/17/48/28/181174828.db2.gz SWIJVNFVEMESCT-VXGBXAGGSA-N 0 0 236.278 2.316 10 30 BEEERN N#Cc1nccnc1Oc1ccc(N)c(Cl)c1 ZINC000054378488 181175303 /nfs/dbraw/zinc/17/53/03/181175303.db2.gz YUQZIEOAOFAWOS-UHFFFAOYSA-N 0 0 246.657 2.376 10 30 BEEERN N#Cc1noc2cc(Br)ccc12 ZINC000238022548 181177262 /nfs/dbraw/zinc/17/72/62/181177262.db2.gz XNSKXVTXELDYHK-UHFFFAOYSA-N 0 0 223.029 2.462 10 30 BEEERN N/C(=N/O)c1ccc(OCC2CC2)c(Cl)c1 ZINC000042410993 181180007 /nfs/dbraw/zinc/18/00/07/181180007.db2.gz YJDPWYOERBUQQC-UHFFFAOYSA-N 0 0 240.690 2.223 10 30 BEEERN N/C(=N\O)c1cccc(OCc2cccs2)c1 ZINC000019482298 181180939 /nfs/dbraw/zinc/18/09/39/181180939.db2.gz NQLDTTORBPVZFL-UHFFFAOYSA-N 0 0 248.307 2.422 10 30 BEEERN N/C(=N\O)c1cccc(OCc2ccccc2)c1 ZINC000019435879 181181778 /nfs/dbraw/zinc/18/17/78/181181778.db2.gz PKVOXYUAQXXUHP-UHFFFAOYSA-N 0 0 242.278 2.360 10 30 BEEERN N/C(CCCOCc1ccccc1Cl)=N\O ZINC000019483636 181182528 /nfs/dbraw/zinc/18/25/28/181182528.db2.gz FRVKVMQRPYFWTG-UHFFFAOYSA-N 0 0 242.706 2.383 10 30 BEEERN N/C(CCOc1ccccc1C(F)(F)F)=N\O ZINC000019808439 181182600 /nfs/dbraw/zinc/18/26/00/181182600.db2.gz ZUNUTBUPGZAFSN-UHFFFAOYSA-N 0 0 248.204 2.221 10 30 BEEERN N/C(CCCOc1cccc(Cl)c1)=N\O ZINC000019481860 181182678 /nfs/dbraw/zinc/18/26/78/181182678.db2.gz IRHBDJDCZVPBBT-UHFFFAOYSA-N 0 0 228.679 2.245 10 30 BEEERN C[C@@H](OS(C)(=O)=O)c1ccc(F)cc1F ZINC000166221135 355334306 /nfs/dbraw/zinc/33/43/06/355334306.db2.gz WIRGUDXUBMDMLN-ZCFIWIBFSA-N 0 0 236.239 2.002 10 30 BEEERN C1CC(=NO[C@@H]2CCCCO2)CS1 ZINC000308346269 355364603 /nfs/dbraw/zinc/36/46/03/355364603.db2.gz VQDSKTPAETZEDI-SECBINFHSA-N 0 0 201.291 2.023 10 30 BEEERN CC1=C(C)CN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000335784584 355433292 /nfs/dbraw/zinc/43/32/92/355433292.db2.gz JKGIWTFSYDGPJE-OLZOCXBDSA-N 0 0 247.342 2.430 10 30 BEEERN C=CCCCN(C)C(=O)NC[C@]1(C)CCCO1 ZINC000127013012 324738855 /nfs/dbraw/zinc/73/88/55/324738855.db2.gz IXRVTMFSJKLCCD-ZDUSSCGKSA-N 0 0 240.347 2.163 10 30 BEEERN COC(=O)CCSCc1ccccc1C#N ZINC000035155155 355857178 /nfs/dbraw/zinc/85/71/78/355857178.db2.gz ZKGOPIVMSDWMPL-UHFFFAOYSA-N 0 0 235.308 2.355 10 30 BEEERN N#CC(C#N)=NNc1ccccc1Cl ZINC000006095393 355859863 /nfs/dbraw/zinc/85/98/63/355859863.db2.gz WJLRKYSNJJCEPP-UHFFFAOYSA-N 0 0 204.620 2.155 10 30 BEEERN C[C@H](C#N)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000336030936 134058119 /nfs/dbraw/zinc/05/81/19/134058119.db2.gz WQWXDDCSQWJCGY-NXEZZACHSA-N 0 0 249.339 2.356 10 30 BEEERN CCc1nn(C)cc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000329182394 355902575 /nfs/dbraw/zinc/90/25/75/355902575.db2.gz OZYTWGMLLCIJIH-SKDRFNHKSA-N 0 0 248.330 2.012 10 30 BEEERN C=CCOc1c(OC)cc(C=O)cc1OC ZINC000008470172 166421982 /nfs/dbraw/zinc/42/19/82/166421982.db2.gz KZQUZEMCCPKQCU-UHFFFAOYSA-N 0 0 222.240 2.081 10 30 BEEERN CC(C)(C)C(=O)[C@@H](C#N)c1cccnc1 ZINC000087617787 491091101 /nfs/dbraw/zinc/09/11/01/491091101.db2.gz QYEYWCTYNOICLK-JTQLQIEISA-N 0 0 202.257 2.304 10 30 BEEERN N#C[C@@H]1CC[C@H](Nc2cnc3c(n2)CCCC3)C1 ZINC000333412663 134108105 /nfs/dbraw/zinc/10/81/05/134108105.db2.gz HMFISILUHSDBOL-MNOVXSKESA-N 0 0 242.326 2.460 10 30 BEEERN N#CCc1cc(Br)cc(F)c1O ZINC000216658207 356444561 /nfs/dbraw/zinc/44/45/61/356444561.db2.gz CHRWFCLTLJDEGU-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN C#Cc1ccc(C(F)(F)F)cc1CC(=O)OC ZINC000216786067 356489569 /nfs/dbraw/zinc/48/95/69/356489569.db2.gz VPIJJPOGRDNUMF-UHFFFAOYSA-N 0 0 242.196 2.402 10 30 BEEERN COCc1ccc(CN[C@@H]2CCC[C@@H]2C#N)o1 ZINC000350388124 366276270 /nfs/dbraw/zinc/27/62/70/366276270.db2.gz GROOHAIRCCEFGM-ZWNOBZJWSA-N 0 0 234.299 2.208 10 30 BEEERN C[C@H](C#N)NC(=O)C[C@H](C)CC(C)(C)C ZINC000040350634 356650238 /nfs/dbraw/zinc/65/02/38/356650238.db2.gz CDZBPPRVFBSUMF-VHSXEESVSA-N 0 0 210.321 2.477 10 30 BEEERN Cn1ncc(N)c1-c1ccc(C#N)c(Cl)c1 ZINC000675071192 538502727 /nfs/dbraw/zinc/50/27/27/538502727.db2.gz XFYVTBJTTOBNNW-UHFFFAOYSA-N 0 0 232.674 2.194 10 30 BEEERN COC(=O)[C@]1(C)O[C@]1(C)CCC(C)C ZINC000085657889 538543807 /nfs/dbraw/zinc/54/38/07/538543807.db2.gz VRHDZROVRQMPIJ-MNOVXSKESA-N 0 0 200.278 2.143 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@@]12CC[C@H](C)C2 ZINC000086166161 538551878 /nfs/dbraw/zinc/55/18/78/538551878.db2.gz MOMXZDBPXYHREO-WCQGTBRESA-N 0 0 212.289 2.287 10 30 BEEERN CCC[C@@]1(C)O[C@@]1(C(=O)OC)C(C)C ZINC000086182692 538552580 /nfs/dbraw/zinc/55/25/80/538552580.db2.gz MYXGWZSCTJUOGE-GHMZBOCLSA-N 0 0 200.278 2.143 10 30 BEEERN C=C(Br)CN[C@H]1CCC[C@H]1C#N ZINC000168274071 356709363 /nfs/dbraw/zinc/70/93/63/356709363.db2.gz BDXRFQJZUHUWKR-IUCAKERBSA-N 0 0 229.121 2.177 10 30 BEEERN COC(=O)[C@@H]1OC1(CC(C)C)CC(C)C ZINC000163902487 538664568 /nfs/dbraw/zinc/66/45/68/538664568.db2.gz FGDXIOSJEMWSDY-JTQLQIEISA-N 0 0 214.305 2.389 10 30 BEEERN COC(=O)C#Cc1cccc(Cl)c1C ZINC000095631596 538610247 /nfs/dbraw/zinc/61/02/47/538610247.db2.gz OVAWSURKIZNZQQ-UHFFFAOYSA-N 0 0 208.644 2.173 10 30 BEEERN CCO/C=C1/Cc2cc(F)ccc2C1=O ZINC000135401050 538616862 /nfs/dbraw/zinc/61/68/62/538616862.db2.gz XGNYWLSNTIVRQT-CLFYSBASSA-N 0 0 206.216 2.485 10 30 BEEERN Cc1ccccc1[C@H](C)Nc1ncncc1C#N ZINC000384936988 356806607 /nfs/dbraw/zinc/80/66/07/356806607.db2.gz BNUKHYHZUZBKKY-NSHDSACASA-N 0 0 238.294 2.252 10 30 BEEERN C#CCOc1ccc(C#N)cc1Br ZINC000169189973 357263752 /nfs/dbraw/zinc/26/37/52/357263752.db2.gz XHHYWROCCQRECG-UHFFFAOYSA-N 0 0 236.068 2.333 10 30 BEEERN C#CC[C@@H](NN)c1ccc(Cl)cc1F ZINC000169209236 357264867 /nfs/dbraw/zinc/26/48/67/357264867.db2.gz HJKKLOGDBXTQBP-SNVBAGLBSA-N 0 0 212.655 2.007 10 30 BEEERN C#C[C@@H](NC)c1cc(F)ccc1Br ZINC000130093387 357279602 /nfs/dbraw/zinc/27/96/02/357279602.db2.gz KDIONGLRCJLVFU-SNVBAGLBSA-N 0 0 242.091 2.482 10 30 BEEERN CC(C)n1cc(CN[C@@H]2CCC[C@H]2C#N)cn1 ZINC000230686679 357549928 /nfs/dbraw/zinc/54/99/28/357549928.db2.gz SXKMORCNBNDWEN-QWHCGFSZSA-N 0 0 232.331 2.246 10 30 BEEERN CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ncc(C)o1 ZINC000231744838 357624145 /nfs/dbraw/zinc/62/41/45/357624145.db2.gz YWKWLAFVNPSYFT-SKDRFNHKSA-N 0 0 235.287 2.100 10 30 BEEERN C[C@@H](C#N)N1CCC[C@@H]1c1nccs1 ZINC000371694822 134229031 /nfs/dbraw/zinc/22/90/31/134229031.db2.gz UYUKPKBDLUSTIF-DTWKUNHWSA-N 0 0 207.302 2.192 10 30 BEEERN CCCCSCCC(=O)N[C@@H](C#N)C1CC1 ZINC000121830476 134235695 /nfs/dbraw/zinc/23/56/95/134235695.db2.gz XZFFUEZXQAXBSP-NSHDSACASA-N 0 0 240.372 2.328 10 30 BEEERN COC(=O)C(Cl)N=Nc1cc(F)ccc1F ZINC000584591493 358249648 /nfs/dbraw/zinc/24/96/48/358249648.db2.gz KWULZEGUGQHGTE-ZSOIEALJSA-N 0 0 248.616 2.102 10 30 BEEERN C#C[C@](O)(C(CC)CC)C1(C#N)CCC1 ZINC000584600614 358257026 /nfs/dbraw/zinc/25/70/26/358257026.db2.gz UCDBVJYVUOCNOQ-ZDUSSCGKSA-N 0 0 205.301 2.481 10 30 BEEERN COc1ccc(COCC2CC(C=O)C2)cc1 ZINC000584600331 358257027 /nfs/dbraw/zinc/25/70/27/358257027.db2.gz IFLRMHPLJFDQKQ-UHFFFAOYSA-N 0 0 234.295 2.437 10 30 BEEERN C#C[C@](O)(c1cccc(F)c1)C1(C#N)CCC1 ZINC000584600313 358257113 /nfs/dbraw/zinc/25/71/13/358257113.db2.gz IBFAAXOCMRYUSI-AWEZNQCLSA-N 0 0 229.254 2.340 10 30 BEEERN C#CCCCCCC[C@H]1OC[C@@H](OC)CO1 ZINC000584615222 358280037 /nfs/dbraw/zinc/28/00/37/358280037.db2.gz SZKYKINGCPUMJC-BETUJISGSA-N 0 0 226.316 2.348 10 30 BEEERN CC(C)(C)OC(=O)Nc1cnc(CCC#N)cn1 ZINC000584601008 358257568 /nfs/dbraw/zinc/25/75/68/358257568.db2.gz HSJCQNBSBHIUBC-UHFFFAOYSA-N 0 0 248.286 2.280 10 30 BEEERN C#C[C@@](O)(c1ccc(Cl)cc1)C1(C#N)CC1 ZINC000584602858 358260688 /nfs/dbraw/zinc/26/06/88/358260688.db2.gz GAXYGKLCDDNZMH-CYBMUJFWSA-N 0 0 231.682 2.465 10 30 BEEERN C#C[C@](O)(c1ccc(C)cc1)C1(C#N)CC1 ZINC000584603423 358261942 /nfs/dbraw/zinc/26/19/42/358261942.db2.gz VVACGKMVZGSQFM-AWEZNQCLSA-N 0 0 211.264 2.120 10 30 BEEERN COC(=O)/N=C(/OC)c1ccccc1C ZINC000584607049 358267307 /nfs/dbraw/zinc/26/73/07/358267307.db2.gz QCZWGTZBNQUHMM-ZRDIBKRKSA-N 0 0 207.229 2.154 10 30 BEEERN C=CC[C@H]1CCCN1[S@@](=O)C(C)(C)C ZINC000584608712 358269091 /nfs/dbraw/zinc/26/90/91/358269091.db2.gz MBAFYTPAMAKQRM-HZMBPMFUSA-N 0 0 215.362 2.489 10 30 BEEERN CCOC(=O)C=NNc1ccc(C)c(C)c1 ZINC000584609981 358271930 /nfs/dbraw/zinc/27/19/30/358271930.db2.gz FNXAHTQABKUGGN-MDWZMJQESA-N 0 0 220.272 2.264 10 30 BEEERN O=C1CCOC/C1=C\c1cccc(F)c1 ZINC000584609903 358272022 /nfs/dbraw/zinc/27/20/22/358272022.db2.gz NRYVGTIQMSRSBX-UXBLZVDNSA-N 0 0 206.216 2.199 10 30 BEEERN CO/N=C1\CCCc2cccc([N+](=O)[O-])c21 ZINC000584610052 358272441 /nfs/dbraw/zinc/27/24/41/358272441.db2.gz LWIFEPDHXPBOFA-FMIVXFBMSA-N 0 0 220.228 2.282 10 30 BEEERN C=C[C@H](CCC)NS(=O)(=O)c1ccccc1 ZINC000584610835 358274358 /nfs/dbraw/zinc/27/43/58/358274358.db2.gz BUZWVDNBVREZQT-LLVKDONJSA-N 0 0 239.340 2.320 10 30 BEEERN C#CCCC[S@@](=O)c1ccc(OC)cc1 ZINC000584620032 358286991 /nfs/dbraw/zinc/28/69/91/358286991.db2.gz WEMFRBZPIVJERJ-OAHLLOKOSA-N 0 0 222.309 2.216 10 30 BEEERN C=CC[C@@H](C)[C@@H](CCCC)S(N)(=O)=O ZINC000584620313 358287731 /nfs/dbraw/zinc/28/77/31/358287731.db2.gz GIBPHHIZTXNONB-NXEZZACHSA-N 0 0 219.350 2.046 10 30 BEEERN N#Cc1cn(-c2ncccn2)c2ccccc12 ZINC000584631494 358313045 /nfs/dbraw/zinc/31/30/45/358313045.db2.gz ZEDIZSPAVXVTTI-UHFFFAOYSA-N 0 0 220.235 2.292 10 30 BEEERN N#CCCCCCNc1ncccc1C#N ZINC000584621792 358289237 /nfs/dbraw/zinc/28/92/37/358289237.db2.gz QFEXSLSFOHGKPV-UHFFFAOYSA-N 0 0 214.272 2.449 10 30 BEEERN CO[C@@]1(SC)OC(c2ccccc2)=CC1=O ZINC000584626575 358295875 /nfs/dbraw/zinc/29/58/75/358295875.db2.gz NTICJQPAPXHOAF-GFCCVEGCSA-N 0 0 236.292 2.290 10 30 BEEERN C[C@H](C=O)CC1=Cc2ccccc2C(=O)C1=O ZINC000584626743 358296156 /nfs/dbraw/zinc/29/61/56/358296156.db2.gz BIAITRWQCGXQBX-VIFPVBQESA-N 0 0 228.247 2.061 10 30 BEEERN COc1ccc2c(c1)C=C(C[C@H](N)C#N)CC2 ZINC000584626841 358296166 /nfs/dbraw/zinc/29/61/66/358296166.db2.gz ZKYIEEINERNGBV-ZDUSSCGKSA-N 0 0 228.295 2.266 10 30 BEEERN COc1ccc2c(c1)C=C(C[C@@H](N)C#N)CC2 ZINC000584626840 358296310 /nfs/dbraw/zinc/29/63/10/358296310.db2.gz ZKYIEEINERNGBV-CYBMUJFWSA-N 0 0 228.295 2.266 10 30 BEEERN C=CCOCCC(=O)Nc1ccccc1 ZINC000584629675 358298950 /nfs/dbraw/zinc/29/89/50/358298950.db2.gz OADHYKVFDAWECJ-UHFFFAOYSA-N 0 0 205.257 2.218 10 30 BEEERN CC(C)(C(=O)Nc1ccc(Cl)cc1)[N+](=O)[O-] ZINC000584650331 358304957 /nfs/dbraw/zinc/30/49/57/358304957.db2.gz CGPMXJZUHZFDEV-UHFFFAOYSA-N 0 0 242.662 2.334 10 30 BEEERN C#CC[N@@H+]1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000584651835 358306886 /nfs/dbraw/zinc/30/68/86/358306886.db2.gz YJZFLGJYWKBUNG-AWEZNQCLSA-N 0 0 228.339 2.139 10 30 BEEERN COc1ccc(OC)c(C/C=C/C(C)=O)c1 ZINC000584631626 358314208 /nfs/dbraw/zinc/31/42/08/358314208.db2.gz FLTDXYAZAVXMOB-SNAWJCMRSA-N 0 0 220.268 2.392 10 30 BEEERN CCO/C(C)=N/Oc1ccc(OC)cc1 ZINC000584660808 358311923 /nfs/dbraw/zinc/31/19/23/358311923.db2.gz RCMAVNFVWBXXBW-FMIVXFBMSA-N 0 0 209.245 2.444 10 30 BEEERN C#C[C@]1(O)C[C@@H]2CCc3cc(OC)ccc3[C@H]2C1 ZINC000584616990 358281469 /nfs/dbraw/zinc/28/14/69/358281469.db2.gz FFILOGKGEMCWCM-RCBQFDQVSA-N 0 0 242.318 2.499 10 30 BEEERN C=CCC(=O)OCc1cccc(OC)c1 ZINC000584632372 358314795 /nfs/dbraw/zinc/31/47/95/358314795.db2.gz WBUYOTKZXHIKJL-UHFFFAOYSA-N 0 0 206.241 2.315 10 30 BEEERN C[C@H]1CCC(=O)N1c1ccc(C#N)cc1 ZINC000584633466 358317041 /nfs/dbraw/zinc/31/70/41/358317041.db2.gz ORRANJNCFQNPDW-VIFPVBQESA-N 0 0 200.241 2.074 10 30 BEEERN CC[C@@H]1COC(c2ccc(C#N)cc2)=N1 ZINC000584634451 358318481 /nfs/dbraw/zinc/31/84/81/358318481.db2.gz BQHIIGFFZINGDW-LLVKDONJSA-N 0 0 200.241 2.114 10 30 BEEERN C=CCOc1cc2c(c(C(=O)OCC)c1)CCO2 ZINC000584635476 358319316 /nfs/dbraw/zinc/31/93/16/358319316.db2.gz GLQASPVILJOJST-UHFFFAOYSA-N 0 0 248.278 2.363 10 30 BEEERN C=CCN1CC[C@H](O)c2cccc(OC)c21 ZINC000584637493 358322778 /nfs/dbraw/zinc/32/27/78/358322778.db2.gz RZIXHUAAIWANGL-NSHDSACASA-N 0 0 219.284 2.125 10 30 BEEERN C=CCN1CC[C@@H](O)c2cccc(OC)c21 ZINC000584637492 358322978 /nfs/dbraw/zinc/32/29/78/358322978.db2.gz RZIXHUAAIWANGL-LLVKDONJSA-N 0 0 219.284 2.125 10 30 BEEERN C=CC[C@H](Cc1ccncc1)C(=O)OCC ZINC000584637390 358322983 /nfs/dbraw/zinc/32/29/83/358322983.db2.gz UZPPZFVTKFRLCV-GFCCVEGCSA-N 0 0 219.284 2.380 10 30 BEEERN N#C[C@H](c1ccccc1)[C@@H](CCO)c1cnco1 ZINC000584638712 358324455 /nfs/dbraw/zinc/32/44/55/358324455.db2.gz UGFYNANYIKNZLR-CHWSQXEVSA-N 0 0 242.278 2.448 10 30 BEEERN CCc1nc(SC)nc(Cl)c1C#N ZINC000584639203 358324717 /nfs/dbraw/zinc/32/47/17/358324717.db2.gz ALLWVEDTSIKWED-UHFFFAOYSA-N 0 0 213.693 2.286 10 30 BEEERN CC(=O)c1cc(C(F)(F)F)ccc1C(=O)NO ZINC000584642703 358327990 /nfs/dbraw/zinc/32/79/90/358327990.db2.gz ORADYASLWGTWFC-UHFFFAOYSA-N 0 0 247.172 2.027 10 30 BEEERN C=C(C)COc1ccccc1C(=O)NC ZINC000124199259 358513982 /nfs/dbraw/zinc/51/39/82/358513982.db2.gz GWMZSPCPHJHEJK-UHFFFAOYSA-N 0 0 205.257 2.001 10 30 BEEERN N#CCc1ccc(O)c(Br)c1 ZINC000013379646 358433573 /nfs/dbraw/zinc/43/35/73/358433573.db2.gz XCODWEBAJYREDB-UHFFFAOYSA-N 0 0 212.046 2.221 10 30 BEEERN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)CCS)C1 ZINC000300224802 358569511 /nfs/dbraw/zinc/56/95/11/358569511.db2.gz BQTSXLZPNTYDIP-UTLUCORTSA-N 0 0 215.362 2.199 10 30 BEEERN Cc1cnccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000129769505 358596156 /nfs/dbraw/zinc/59/61/56/358596156.db2.gz PNEQWGHJVHLXMO-DGCLKSJQSA-N 0 0 215.300 2.172 10 30 BEEERN COc1cccc(C(=O)C=C(C)C)c1N ZINC000231112663 358917042 /nfs/dbraw/zinc/91/70/42/358917042.db2.gz FJLRNGBRCPMPOD-UHFFFAOYSA-N 0 0 205.257 2.426 10 30 BEEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1 ZINC000054823502 358876153 /nfs/dbraw/zinc/87/61/53/358876153.db2.gz NHSICOLCZGCFLE-OCCSQVGLSA-N 0 0 230.311 2.477 10 30 BEEERN C#CC[C@@H](C)Nc1cc(Cl)nc(C)n1 ZINC000231145570 358995632 /nfs/dbraw/zinc/99/56/32/358995632.db2.gz PGBHPMBCESQLCZ-SSDOTTSWSA-N 0 0 209.680 2.262 10 30 BEEERN N#CC(C#N)c1ncc(Br)cc1F ZINC000306189746 359006486 /nfs/dbraw/zinc/00/64/86/359006486.db2.gz DTQUSZUPNULLDQ-UHFFFAOYSA-N 0 0 240.035 2.114 10 30 BEEERN CC(=O)[C@@](C)(C#N)c1ncccc1Cl ZINC000306227445 359356653 /nfs/dbraw/zinc/35/66/53/359356653.db2.gz HFSAXAMQMSADER-SNVBAGLBSA-N 0 0 208.648 2.105 10 30 BEEERN N#CCSCc1nc(CC2CCC2)no1 ZINC000284979452 359320544 /nfs/dbraw/zinc/32/05/44/359320544.db2.gz BRFHRJXCGSZCFP-UHFFFAOYSA-N 0 0 223.301 2.169 10 30 BEEERN C#CC[C@H](C)Nc1c(Cl)nsc1C#N ZINC000306218167 359335855 /nfs/dbraw/zinc/33/58/55/359335855.db2.gz LHONJNAIYIFESS-LURJTMIESA-N 0 0 225.704 2.492 10 30 BEEERN C#C[C@@H](N)c1c(F)cc(Br)cc1F ZINC000130323820 359517092 /nfs/dbraw/zinc/51/70/92/359517092.db2.gz ARKYHJXCOQRGRE-MRVPVSSYSA-N 0 0 246.054 2.360 10 30 BEEERN C#C[C@H](N)c1c(F)cc(Br)cc1F ZINC000130323590 359517352 /nfs/dbraw/zinc/51/73/52/359517352.db2.gz ARKYHJXCOQRGRE-QMMMGPOBSA-N 0 0 246.054 2.360 10 30 BEEERN N#CCc1cc(O)cc(F)c1Br ZINC000306261819 359483064 /nfs/dbraw/zinc/48/30/64/359483064.db2.gz XLHFXCPCCCDJHU-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN N#Cc1c(Br)nccc1OC(F)F ZINC000306303993 359584675 /nfs/dbraw/zinc/58/46/75/359584675.db2.gz JZGZTOFJNPLTGQ-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN C#CC(=O)c1cc(Br)ccc1OC ZINC000306333576 359633370 /nfs/dbraw/zinc/63/33/70/359633370.db2.gz HZCOMPXDJGTZGR-UHFFFAOYSA-N 0 0 239.068 2.274 10 30 BEEERN CCO[C@H](C)C(=O)C#Cc1ccccc1 ZINC000306344259 359663210 /nfs/dbraw/zinc/66/32/10/359663210.db2.gz NEBXDUWRNDKLNN-LLVKDONJSA-N 0 0 202.253 2.032 10 30 BEEERN C#CCOc1ccc(Br)c(C)c1N ZINC000306369298 359698629 /nfs/dbraw/zinc/69/86/29/359698629.db2.gz LHFRBNLLESMNEZ-UHFFFAOYSA-N 0 0 240.100 2.352 10 30 BEEERN C[C@H]1CC[C@@]1(C#N)NCc1ccccc1 ZINC000306389125 359743637 /nfs/dbraw/zinc/74/36/37/359743637.db2.gz WJJYYZPHUUVLHX-AAEUAGOBSA-N 0 0 200.285 2.468 10 30 BEEERN C[C@@H]1CC[C@]1(C#N)NCc1ccccc1 ZINC000306389126 359743840 /nfs/dbraw/zinc/74/38/40/359743840.db2.gz WJJYYZPHUUVLHX-DGCLKSJQSA-N 0 0 200.285 2.468 10 30 BEEERN C=C[C@H](NN)c1ccc(Cl)cc1F ZINC000169202554 359775281 /nfs/dbraw/zinc/77/52/81/359775281.db2.gz QSSNFTPVCFBCBV-VIFPVBQESA-N 0 0 200.644 2.170 10 30 BEEERN N#CCc1cc(F)c(N)c(C(F)(F)F)c1 ZINC000396107631 359806992 /nfs/dbraw/zinc/80/69/92/359806992.db2.gz XCSWMJXIUYDAOH-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1n[nH]c2ccccc12 ZINC000612586173 359898525 /nfs/dbraw/zinc/89/85/25/359898525.db2.gz OZZSOCCHSMBACU-CMPLNLGQSA-N 0 0 240.310 2.345 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1nc2c(s1)CCC2 ZINC000612584421 359896757 /nfs/dbraw/zinc/89/67/57/359896757.db2.gz HPLGHTHUJJZZHI-VHSXEESVSA-N 0 0 247.367 2.414 10 30 BEEERN COCCCNc1cc(C)nc(C)c1C#N ZINC000087969401 359932137 /nfs/dbraw/zinc/93/21/37/359932137.db2.gz DBGQGXBFNDKAKF-UHFFFAOYSA-N 0 0 219.288 2.019 10 30 BEEERN O=C[C@H]1CC[C@H](c2c(F)cccc2F)O1 ZINC000306445815 360008775 /nfs/dbraw/zinc/00/87/75/360008775.db2.gz TVHLUUGSEHTPBZ-GMSGAONNSA-N 0 0 212.195 2.384 10 30 BEEERN O=C[C@@]1(CCOCc2ccccc2)CCOC1 ZINC000306468011 360080946 /nfs/dbraw/zinc/08/09/46/360080946.db2.gz MYYQLQAUNOKVLL-CQSZACIVSA-N 0 0 234.295 2.199 10 30 BEEERN C[C@@](O)(C=O)Cc1ccsc1Br ZINC000306563650 360442048 /nfs/dbraw/zinc/44/20/48/360442048.db2.gz VURWLCWXWBOSKO-QMMMGPOBSA-N 0 0 249.129 2.003 10 30 BEEERN C[C@H]1C[C@H](C(=O)CC#CC(C)(C)C)CO1 ZINC000300739096 360423546 /nfs/dbraw/zinc/42/35/46/360423546.db2.gz HZLYDRZHVWAKIZ-QWRGUYRKSA-N 0 0 208.301 2.420 10 30 BEEERN CC(C)(C)C#CCC(=O)[C@H]1CCCOC1 ZINC000300763488 360469682 /nfs/dbraw/zinc/46/96/82/360469682.db2.gz OFOOPSZJFNQWAG-NSHDSACASA-N 0 0 208.301 2.422 10 30 BEEERN SCc1cnn(Cc2ccccc2)c1 ZINC000306582466 360483613 /nfs/dbraw/zinc/48/36/13/360483613.db2.gz DDIKEDLDXXZJMS-UHFFFAOYSA-N 0 0 204.298 2.361 10 30 BEEERN CSC(=N[C@@H](C)[C@H]1CC1(C)C)NC#N ZINC000306588042 360492123 /nfs/dbraw/zinc/49/21/23/360492123.db2.gz STODYQKCDVHFIO-JGVFFNPUSA-N 0 0 211.334 2.211 10 30 BEEERN CC(C)(C)C#CCC(=O)[C@@H](O)C(C)(C)C ZINC000300826006 360524341 /nfs/dbraw/zinc/52/43/41/360524341.db2.gz ZWUNCKYPYURDQP-LLVKDONJSA-N 0 0 210.317 2.402 10 30 BEEERN CC#CCNc1ncc2ccsc2n1 ZINC000306604254 360533090 /nfs/dbraw/zinc/53/30/90/360533090.db2.gz YOSPDVRZUAOFRP-UHFFFAOYSA-N 0 0 203.270 2.127 10 30 BEEERN C#C[C@H](C)Oc1cc(Cl)nc(Cl)n1 ZINC000306592693 360511589 /nfs/dbraw/zinc/51/15/89/360511589.db2.gz DEEDXYFTGPTBBG-YFKPBYRVSA-N 0 0 217.055 2.184 10 30 BEEERN CCOC(=O)c1cc(F)c(C#N)cc1F ZINC000238257248 360762625 /nfs/dbraw/zinc/76/26/25/360762625.db2.gz UBERSSCHECEZRJ-UHFFFAOYSA-N 0 0 211.167 2.013 10 30 BEEERN COC(=O)c1cc(C)c(C#N)c(Cl)c1 ZINC000238348703 360910084 /nfs/dbraw/zinc/91/00/84/360910084.db2.gz ZXJXITIKTVYVIY-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C=CC(=O)c1ccc(C(=O)OCC)s1 ZINC000379504984 360991938 /nfs/dbraw/zinc/99/19/38/360991938.db2.gz NMNDIMCCGJWODW-UHFFFAOYSA-N 0 0 210.254 2.294 10 30 BEEERN N#Cc1cc(Br)ncc1Cl ZINC000238510003 361130972 /nfs/dbraw/zinc/13/09/72/361130972.db2.gz DOOGHVHTHIDBAG-UHFFFAOYSA-N 0 0 217.453 2.369 10 30 BEEERN N#CCc1cccc(OC(F)(F)F)n1 ZINC000238536032 361141408 /nfs/dbraw/zinc/14/14/08/361141408.db2.gz JAKFEGVQUVRZEK-UHFFFAOYSA-N 0 0 202.135 2.046 10 30 BEEERN Cc1cncc(CC#N)c1OC(F)(F)F ZINC000238541038 361146468 /nfs/dbraw/zinc/14/64/68/361146468.db2.gz MCPONNQNFMGMIE-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN N#CCc1cc(Br)cc(F)c1N ZINC000238565431 361152348 /nfs/dbraw/zinc/15/23/48/361152348.db2.gz YMUPCDCUQCZSFE-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#CCc1cc(F)nc(OC(F)(F)F)c1 ZINC000238587422 361159077 /nfs/dbraw/zinc/15/90/77/361159077.db2.gz WCPPNXRSSSJRPZ-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1cncc(F)c1OC(F)(F)F ZINC000238585032 361159103 /nfs/dbraw/zinc/15/91/03/361159103.db2.gz VRWYXYWROLQCNQ-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1cc(O)cc(C(F)(F)F)c1 ZINC000238684299 361178700 /nfs/dbraw/zinc/17/87/00/361178700.db2.gz VROGCJUMHLVZML-UHFFFAOYSA-N 0 0 201.147 2.477 10 30 BEEERN N#Cc1cnc(CF)c(OC(F)(F)F)c1 ZINC000238696915 361179864 /nfs/dbraw/zinc/17/98/64/361179864.db2.gz RISQLNKHCVILNQ-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN C=CCCn1cc([N+](=O)[O-])nc1Cl ZINC000115609106 370672788 /nfs/dbraw/zinc/67/27/88/370672788.db2.gz UPVKPECJLDSNAU-UHFFFAOYSA-N 0 0 201.613 2.021 10 30 BEEERN COc1cc(/N=C/N(C)C)c(C)cc1[N+](=O)[O-] ZINC000007159937 361392056 /nfs/dbraw/zinc/39/20/56/361392056.db2.gz OYMFPVBNKKEEAA-KPKJPENVSA-N 0 0 237.259 2.133 10 30 BEEERN N#Cc1cccc(N[C@H]2CCC[C@H]2C#N)n1 ZINC000381402708 361394090 /nfs/dbraw/zinc/39/40/90/361394090.db2.gz AUXVAVRXXGLHBN-ONGXEEELSA-N 0 0 212.256 2.057 10 30 BEEERN CC(C)n1nccc1CN[C@H]1CCC[C@H]1C#N ZINC000354651522 366805643 /nfs/dbraw/zinc/80/56/43/366805643.db2.gz BZUBWLNOSPDJRY-AAEUAGOBSA-N 0 0 232.331 2.246 10 30 BEEERN CC(C)n1nccc1CN[C@@H]1CCC[C@H]1C#N ZINC000354651525 366805803 /nfs/dbraw/zinc/80/58/03/366805803.db2.gz BZUBWLNOSPDJRY-WCQYABFASA-N 0 0 232.331 2.246 10 30 BEEERN CC(C)n1nccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000354651524 366805840 /nfs/dbraw/zinc/80/58/40/366805840.db2.gz BZUBWLNOSPDJRY-DGCLKSJQSA-N 0 0 232.331 2.246 10 30 BEEERN C=C(Cl)CN1CCc2sccc2C1=O ZINC000306636907 361452639 /nfs/dbraw/zinc/45/26/39/361452639.db2.gz BFJHQHIELPHYES-UHFFFAOYSA-N 0 0 227.716 2.499 10 30 BEEERN CC(C)(C)C1CCC(C#N)(NCCO)CC1 ZINC000053707833 166541935 /nfs/dbraw/zinc/54/19/35/166541935.db2.gz HGQUIRBQTOZGAF-UHFFFAOYSA-N 0 0 224.348 2.067 10 30 BEEERN O=CCSc1ncccc1Br ZINC000070615387 361626434 /nfs/dbraw/zinc/62/64/34/361626434.db2.gz MAABLUHNZCEMKF-UHFFFAOYSA-N 0 0 232.102 2.135 10 30 BEEERN N#C[C@H]1CCCN1CCc1ccsc1 ZINC000070662433 361706724 /nfs/dbraw/zinc/70/67/24/361706724.db2.gz ZFFLZXGPTBATMJ-LLVKDONJSA-N 0 0 206.314 2.279 10 30 BEEERN COC(=O)[C@H]1O[C@]1(C)Cc1ccc(Cl)cc1 ZINC000234574620 541311496 /nfs/dbraw/zinc/31/14/96/541311496.db2.gz LBBFPADPEZWVQU-ZYHUDNBSSA-N 0 0 240.686 2.213 10 30 BEEERN CC[C@@H]1CCCCCN1C(=O)[C@@H](C)C#N ZINC000134805582 364413948 /nfs/dbraw/zinc/41/39/48/364413948.db2.gz XBCMHUUXVRYLOD-WDEREUQCSA-N 0 0 208.305 2.327 10 30 BEEERN C[C@@H](C#N)CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000182778481 366940774 /nfs/dbraw/zinc/94/07/74/366940774.db2.gz HOPGGPYQRWLDMB-WDEREUQCSA-N 0 0 247.298 2.286 10 30 BEEERN CC[C@]1(c2ccccc2)O[C@@]1(Cl)C(=O)OC ZINC000234135236 541510859 /nfs/dbraw/zinc/51/08/59/541510859.db2.gz NTHUOTJJYXDDHW-NEPJUHHUSA-N 0 0 240.686 2.430 10 30 BEEERN CCC[C@@]1(C(=O)OCC)OC12CC(C)C2 ZINC000233321814 541508289 /nfs/dbraw/zinc/50/82/89/541508289.db2.gz UZEWXJHQPPBCCZ-NHNAUAITSA-N 0 0 212.289 2.287 10 30 BEEERN CC(=O)OCCN(CCC#N)c1cccc(C)c1 ZINC000135866392 368345366 /nfs/dbraw/zinc/34/53/66/368345366.db2.gz OYYRZXBLVRUYIN-UHFFFAOYSA-N 0 0 246.310 2.278 10 30 BEEERN COC(=O)/C(=C/c1cccc(C)c1)C(C)=O ZINC000225186450 368418477 /nfs/dbraw/zinc/41/84/77/368418477.db2.gz YPRQMCGNDONEEY-XYOKQWHBSA-N 0 0 218.252 2.140 10 30 BEEERN C/C(=N\OC[C@@H](C)O)[C@@H]1Cc2ccccc21 ZINC000038802246 368409094 /nfs/dbraw/zinc/40/90/94/368409094.db2.gz VKFNGVQUSMHREJ-FSSNONLISA-N 0 0 219.284 2.100 10 30 BEEERN N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000108827458 368599261 /nfs/dbraw/zinc/59/92/61/368599261.db2.gz FKPRBVRHDXDIFG-RDBSUJKOSA-N 0 0 240.306 2.208 10 30 BEEERN CC1(C)OC(=O)[C@@H](C#N)[C@H]1c1ccccc1 ZINC000001701129 368684899 /nfs/dbraw/zinc/68/48/99/368684899.db2.gz ZYAXOYUQIOBZSM-WDEREUQCSA-N 0 0 215.252 2.245 10 30 BEEERN C=CCOc1c(CC)cc(C(N)=O)cc1CC ZINC000003636534 368876189 /nfs/dbraw/zinc/87/61/89/368876189.db2.gz IOSMFQMAPUODNX-UHFFFAOYSA-N 0 0 233.311 2.475 10 30 BEEERN N#C[C@@H](NC1CCCC1)c1nccs1 ZINC000161430472 369016774 /nfs/dbraw/zinc/01/67/74/369016774.db2.gz JAIYUGIUTPBMJK-SECBINFHSA-N 0 0 207.302 2.240 10 30 BEEERN N#Cc1c(N)c(F)c(Br)cc1F ZINC000230030082 369417322 /nfs/dbraw/zinc/41/73/22/369417322.db2.gz QNGQRTFOEMFCIK-UHFFFAOYSA-N 0 0 233.015 2.181 10 30 BEEERN CC[C@@H]1C[C@@H]1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000230184818 369431509 /nfs/dbraw/zinc/43/15/09/369431509.db2.gz BOGQZNXFDHXPNT-APPZFPTMSA-N 0 0 232.243 2.072 10 30 BEEERN C[C@@H]1CCC[C@H]1C(=O)NCC(C)(C)C#N ZINC000230176749 369431977 /nfs/dbraw/zinc/43/19/77/369431977.db2.gz YHFWOBAJYRSIHX-NXEZZACHSA-N 0 0 208.305 2.089 10 30 BEEERN N#Cc1cc(-c2ccccc2)nn1CCF ZINC000409442883 369978062 /nfs/dbraw/zinc/97/80/62/369978062.db2.gz CLSCKNUEEDNIMR-UHFFFAOYSA-N 0 0 215.231 2.391 10 30 BEEERN N#Cc1cn(CC2CC2)nc1-c1cccnc1 ZINC000409439304 369976605 /nfs/dbraw/zinc/97/66/05/369976605.db2.gz ORLQKNQXCCYMQZ-UHFFFAOYSA-N 0 0 224.267 2.227 10 30 BEEERN Cc1nc(C#N)cc(CCc2ccccc2)n1 ZINC000409440139 369977076 /nfs/dbraw/zinc/97/70/76/369977076.db2.gz WAEQQMGLSSJBEW-UHFFFAOYSA-N 0 0 223.279 2.442 10 30 BEEERN Cc1cc(NCC[C@@H]2CCCO2)cc(C#N)n1 ZINC000308275753 370118258 /nfs/dbraw/zinc/11/82/58/370118258.db2.gz MOVHQFIQZYPGIR-ZDUSSCGKSA-N 0 0 231.299 2.243 10 30 BEEERN CCc1c(CC#N)cc(OC)cc1OC ZINC000215266682 370384835 /nfs/dbraw/zinc/38/48/35/370384835.db2.gz JXJWLDQGCILVCC-UHFFFAOYSA-N 0 0 205.257 2.332 10 30 BEEERN Cc1nc(Br)sc1C#N ZINC000113496721 370416494 /nfs/dbraw/zinc/41/64/94/370416494.db2.gz GMPHEYRZCFNQKI-UHFFFAOYSA-N 0 0 203.064 2.086 10 30 BEEERN Cc1nc(C)c(CN[C@@H]2CCCC[C@@H]2C#N)o1 ZINC000311831164 370440543 /nfs/dbraw/zinc/44/05/43/370440543.db2.gz LNOZWRNEUZKARE-VXGBXAGGSA-N 0 0 233.315 2.463 10 30 BEEERN CCN(CC)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000020363700 371272541 /nfs/dbraw/zinc/27/25/41/371272541.db2.gz KWUYNMVQTZXQDY-NSHDSACASA-N 0 0 246.310 2.194 10 30 BEEERN C=CCCCN(C)C(=O)NCc1cccc(C)n1 ZINC000125347793 371322832 /nfs/dbraw/zinc/32/28/32/371322832.db2.gz MXCVHMSWDWNTTH-UHFFFAOYSA-N 0 0 247.342 2.498 10 30 BEEERN C#CC[C@H](NN)c1cc(Cl)ccc1C ZINC000126743236 371549523 /nfs/dbraw/zinc/54/95/23/371549523.db2.gz BWLNJMMYWDDGOU-NSHDSACASA-N 0 0 208.692 2.176 10 30 BEEERN N#Cc1cccc(N[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000131190687 371567121 /nfs/dbraw/zinc/56/71/21/371567121.db2.gz SXVHLRKCAGMQJG-SNVBAGLBSA-N 0 0 247.254 2.057 10 30 BEEERN C#C[C@H](CCC)Nc1ncc(Cl)cn1 ZINC000230004667 371633175 /nfs/dbraw/zinc/63/31/75/371633175.db2.gz REHGOFYPBNXGTL-SECBINFHSA-N 0 0 209.680 2.344 10 30 BEEERN C#C[C@H](CC)Nc1cc(C)nc(Cl)n1 ZINC000230020284 371636429 /nfs/dbraw/zinc/63/64/29/371636429.db2.gz MIDUAMQFECITJC-MRVPVSSYSA-N 0 0 209.680 2.262 10 30 BEEERN C#C[C@H](CC)Nc1nc(Cl)nc(Cl)n1 ZINC000230020413 371637090 /nfs/dbraw/zinc/63/70/90/371637090.db2.gz HYJTUBFQWMGXEE-RXMQYKEDSA-N 0 0 231.086 2.002 10 30 BEEERN Cc1ccc(C#N)c(N)c1Br ZINC000131880480 371703781 /nfs/dbraw/zinc/70/37/81/371703781.db2.gz DEECMTWTKSGFGM-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN N#Cc1cc(OC(F)F)cc(Cl)c1N ZINC000131868345 371699580 /nfs/dbraw/zinc/69/95/80/371699580.db2.gz OOTBMMWMCRIZIY-UHFFFAOYSA-N 0 0 218.590 2.395 10 30 BEEERN C=C(Cl)CNc1ccnc(Cl)n1 ZINC000230147745 371861364 /nfs/dbraw/zinc/86/13/64/371861364.db2.gz KHXQGAFRCRSCNL-UHFFFAOYSA-N 0 0 204.060 2.294 10 30 BEEERN C=CCn1c2ccccc2n(C(=C)C)c1=O ZINC000003110821 371877019 /nfs/dbraw/zinc/87/70/19/371877019.db2.gz MMCWEVQOSVLSTA-UHFFFAOYSA-N 0 0 214.268 2.480 10 30 BEEERN N#C[C@]1(c2ccc(Cl)cc2)C[C@H]1CO ZINC000132781367 371922285 /nfs/dbraw/zinc/92/22/85/371922285.db2.gz XSMNRWXFAQNXGI-ONGXEEELSA-N 0 0 207.660 2.114 10 30 BEEERN N#C[C@]1(Sc2ccccc2)C[C@H]1CO ZINC000132798730 371923758 /nfs/dbraw/zinc/92/37/58/371923758.db2.gz GCWZGYRIXDYNOM-GXSJLCMTSA-N 0 0 205.282 2.053 10 30 BEEERN C[C@H](C#N)[S@@](=O)c1ccc(F)c(Cl)c1 ZINC000227964610 371965376 /nfs/dbraw/zinc/96/53/76/371965376.db2.gz KZMNMIIHWGVVRB-RWBAJPLHSA-N 0 0 231.679 2.499 10 30 BEEERN C#CCCC(=O)c1ncccc1Br ZINC000133047033 371979372 /nfs/dbraw/zinc/97/93/72/371979372.db2.gz QBBBTQYVQYGGQP-UHFFFAOYSA-N 0 0 238.084 2.440 10 30 BEEERN C#CCCC(=O)[C@@H]1SCCS[C@H]1C ZINC000228076420 371985863 /nfs/dbraw/zinc/98/58/63/371985863.db2.gz KNFFJNZWPQXCBD-WCBMZHEXSA-N 0 0 214.355 2.206 10 30 BEEERN C=C(C)C(=O)[C@@H]1SCCS[C@H]1C ZINC000228079832 371986645 /nfs/dbraw/zinc/98/66/45/371986645.db2.gz NKNQRYNQQOCBFS-IONNQARKSA-N 0 0 202.344 2.369 10 30 BEEERN O=C[C@@H]1CC[C@H](c2occc2Br)O1 ZINC000306147679 371988892 /nfs/dbraw/zinc/98/88/92/371988892.db2.gz AOCHTNAWXUSZEP-POYBYMJQSA-N 0 0 245.072 2.461 10 30 BEEERN C#CCOc1c(F)c(F)cc(F)c1F ZINC000217839854 372017512 /nfs/dbraw/zinc/01/75/12/372017512.db2.gz VPIKUZAHFKEICV-UHFFFAOYSA-N 0 0 204.122 2.255 10 30 BEEERN CN(CCC#N)c1cc(Cl)ccc1N ZINC000228405185 372023779 /nfs/dbraw/zinc/02/37/79/372023779.db2.gz JRRQIFGMPYAASO-UHFFFAOYSA-N 0 0 209.680 2.272 10 30 BEEERN C=C(C(=O)[C@@H]1CC[C@@H](C)O1)C(F)(F)F ZINC000306499191 372025862 /nfs/dbraw/zinc/02/58/62/372025862.db2.gz IFFFAESWVSMBRG-VDTYLAMSSA-N 0 0 208.179 2.242 10 30 BEEERN C=C(C(=O)[C@H]1CC[C@H](C)O1)C(F)(F)F ZINC000306499188 372026558 /nfs/dbraw/zinc/02/65/58/372026558.db2.gz IFFFAESWVSMBRG-CAHLUQPWSA-N 0 0 208.179 2.242 10 30 BEEERN COc1ccc(C2=CCCCC2=O)nc1 ZINC000306722977 372059254 /nfs/dbraw/zinc/05/92/54/372059254.db2.gz GDMZKHZXJGFETR-UHFFFAOYSA-N 0 0 203.241 2.227 10 30 BEEERN C#CC[C@@H](C)Nc1cnc(Br)cn1 ZINC000307271645 372106644 /nfs/dbraw/zinc/10/66/44/372106644.db2.gz RQJGOTCUNSSADT-SSDOTTSWSA-N 0 0 240.104 2.063 10 30 BEEERN C#C[C@](C)(CC)Nc1nsnc1Cl ZINC000307372310 372116874 /nfs/dbraw/zinc/11/68/74/372116874.db2.gz QSRIKDFAFQVEMO-MRVPVSSYSA-N 0 0 215.709 2.405 10 30 BEEERN COC(=O)c1ccc(Cl)c(C#N)c1F ZINC000307164993 372088993 /nfs/dbraw/zinc/08/89/93/372088993.db2.gz MRFUMXHSDYYZLH-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN C/C(=C/Cl)CN1CCCC[C@H]1C=O ZINC000232010686 372089353 /nfs/dbraw/zinc/08/93/53/372089353.db2.gz GACXPYKHOCBLDW-MBACFSSFSA-N 0 0 201.697 2.182 10 30 BEEERN Cc1ccc(COC2CC(C=O)C2)cc1 ZINC000606302693 372091830 /nfs/dbraw/zinc/09/18/30/372091830.db2.gz RVKCIFCCFPHZLF-UHFFFAOYSA-N 0 0 204.269 2.489 10 30 BEEERN COc1cc(C2=CCCCC2=O)ccn1 ZINC000307222394 372099659 /nfs/dbraw/zinc/09/96/59/372099659.db2.gz QTQKNCGENDBUCH-UHFFFAOYSA-N 0 0 203.241 2.227 10 30 BEEERN CC[C@@](C)(C#N)[C@@H](O)c1cnc(C)s1 ZINC000307611756 372131974 /nfs/dbraw/zinc/13/19/74/372131974.db2.gz JQRAFBLNWGYYCR-UWVGGRQHSA-N 0 0 210.302 2.425 10 30 BEEERN C=C(Br)CNc1nccnc1Cl ZINC000229316990 372140782 /nfs/dbraw/zinc/14/07/82/372140782.db2.gz BHYFIHVJUSWLDY-UHFFFAOYSA-N 0 0 248.511 2.451 10 30 BEEERN C=C(C)CNc1cc(Br)ncn1 ZINC000229341641 372145477 /nfs/dbraw/zinc/14/54/77/372145477.db2.gz BSWIRIUVSQWQPC-UHFFFAOYSA-N 0 0 228.093 2.227 10 30 BEEERN N#Cc1nccc(Cl)c1Br ZINC000218796836 372155001 /nfs/dbraw/zinc/15/50/01/372155001.db2.gz HKVCHPGGYRZTJS-UHFFFAOYSA-N 0 0 217.453 2.369 10 30 BEEERN CC(C)[C@@H](S)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000232753362 372158410 /nfs/dbraw/zinc/15/84/10/372158410.db2.gz YMLLBUDGGAJMIN-KXUCPTDWSA-N 0 0 215.362 2.198 10 30 BEEERN C=C(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218846316 372159469 /nfs/dbraw/zinc/15/94/69/372159469.db2.gz LBUVGYVEJBYFJT-JTQLQIEISA-N 0 0 239.315 2.389 10 30 BEEERN CC(C)(C=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000059028595 372127914 /nfs/dbraw/zinc/12/79/14/372127914.db2.gz ZQOHCWHYVISIBC-UHFFFAOYSA-N 0 0 207.229 2.362 10 30 BEEERN N#Cc1cc(F)c(N)c(C(F)(F)F)c1 ZINC000164696899 372186178 /nfs/dbraw/zinc/18/61/78/372186178.db2.gz HUGRPZATGUZNFV-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN N#CCc1cc(C(F)(F)F)ccc1O ZINC000038761971 372756531 /nfs/dbraw/zinc/75/65/31/372756531.db2.gz XMAJEMMOMKHZND-UHFFFAOYSA-N 0 0 201.147 2.477 10 30 BEEERN CCC[C@H]1C[C@]2(CCO1)CC(=O)C=CO2 ZINC000069900173 373973585 /nfs/dbraw/zinc/97/35/85/373973585.db2.gz SRRSSVGQQGANGO-RYUDHWBXSA-N 0 0 210.273 2.207 10 30 BEEERN C=C[C@@H](C)n1cc(I)cn1 ZINC000070679606 374174883 /nfs/dbraw/zinc/17/48/83/374174883.db2.gz ZDEAZXBSGYSXTO-ZCFIWIBFSA-N 0 0 248.067 2.235 10 30 BEEERN C#CCn1ccc2c1CC(C)(C)CC2=O ZINC000041706842 374178772 /nfs/dbraw/zinc/17/87/72/374178772.db2.gz GECOJIDXOILYCE-UHFFFAOYSA-N 0 0 201.269 2.276 10 30 BEEERN Cn1cc(S[C@H]2CCC[C@H]2C#N)cn1 ZINC000042406125 374267703 /nfs/dbraw/zinc/26/77/03/374267703.db2.gz SIHJPZSZVZZNKQ-WPRPVWTQSA-N 0 0 207.302 2.204 10 30 BEEERN Cc1ccncc1NC1=N[C@H](C)CS1 ZINC000070959026 374235450 /nfs/dbraw/zinc/23/54/50/374235450.db2.gz SIEPMWJBTHJJMM-MRVPVSSYSA-N 0 0 207.302 2.102 10 30 BEEERN CC[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000167405763 206143506 /nfs/dbraw/zinc/14/35/06/206143506.db2.gz ACVMDTNQFMNMMI-HBNTYKKESA-N 0 0 208.305 2.231 10 30 BEEERN O=C(Nc1cccc(C#CCO)c1)C1CCCC1 ZINC000037548717 182366342 /nfs/dbraw/zinc/36/63/42/182366342.db2.gz MODYIZMBNFNPBQ-UHFFFAOYSA-N 0 0 243.306 2.159 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1nccc2ccccc21 ZINC000082305669 170245018 /nfs/dbraw/zinc/24/50/18/170245018.db2.gz HYKLIMCYRNNCMX-LBPRGKRZSA-N 0 0 240.262 2.405 10 30 BEEERN O=CC1CCN(c2nc3ccccc3o2)CC1 ZINC000054268543 182850279 /nfs/dbraw/zinc/85/02/79/182850279.db2.gz OJGWSBOZKZMJED-UHFFFAOYSA-N 0 0 230.267 2.243 10 30 BEEERN O=CCOc1ccc(F)cc1Br ZINC000019776776 182851276 /nfs/dbraw/zinc/85/12/76/182851276.db2.gz LUSURSPJIBNKKK-UHFFFAOYSA-N 0 0 233.036 2.166 10 30 BEEERN O=CCc1cc(Br)ccc1F ZINC000078434579 182852097 /nfs/dbraw/zinc/85/20/97/182852097.db2.gz PFNZLIVPIRLVPM-UHFFFAOYSA-N 0 0 217.037 2.330 10 30 BEEERN O=Cc1ccc(C#Cc2ccccn2)cc1 ZINC000090669071 182866649 /nfs/dbraw/zinc/86/66/49/182866649.db2.gz ZRRWOZZZOISMIQ-UHFFFAOYSA-N 0 0 207.232 2.294 10 30 BEEERN CCN(CCC#N)CC(=O)c1ccc(F)cc1 ZINC000050148549 169815226 /nfs/dbraw/zinc/81/52/26/169815226.db2.gz MUEVGRDGBRPSOL-UHFFFAOYSA-N 0 0 234.274 2.244 10 30 BEEERN OCC#Cc1ccc(COC2CCCC2)cc1 ZINC000049619857 183032478 /nfs/dbraw/zinc/03/24/78/183032478.db2.gz QFRQZPQMIKSIGC-UHFFFAOYSA-N 0 0 230.307 2.490 10 30 BEEERN OCC#Cc1ccccc1COC1CCCC1 ZINC000049619855 183033245 /nfs/dbraw/zinc/03/32/45/183033245.db2.gz WDVAGKMPNXKWAB-UHFFFAOYSA-N 0 0 230.307 2.490 10 30 BEEERN OCC#Cc1cccc(COCc2ccco2)c1 ZINC000049619964 183033429 /nfs/dbraw/zinc/03/34/29/183033429.db2.gz URLWFKIDHLKXLV-UHFFFAOYSA-N 0 0 242.274 2.340 10 30 BEEERN OCC#Cc1ccccc1OCc1ccncc1 ZINC000037543775 183033516 /nfs/dbraw/zinc/03/35/16/183033516.db2.gz GMZFJPPMGOONOP-UHFFFAOYSA-N 0 0 239.274 2.004 10 30 BEEERN OCCS[C@@H]1CCCCCC/C1=N/O ZINC000005480328 183089118 /nfs/dbraw/zinc/08/91/18/183089118.db2.gz OLZQIDLLLSVJFG-QLWWJYNRSA-N 0 0 217.334 2.265 10 30 BEEERN CCO[P@@](=O)(CCC=O)c1ccccc1 ZINC000005861640 170513194 /nfs/dbraw/zinc/51/31/94/170513194.db2.gz NULHWQZPYWXJLF-HNNXBMFYSA-N 0 0 226.212 2.216 10 30 BEEERN CCCNC(=O)[C@@H](C)Nc1cc(C)ccc1C#N ZINC000051579889 169242702 /nfs/dbraw/zinc/24/27/02/169242702.db2.gz KBOQQGFZOCQIHX-LLVKDONJSA-N 0 0 245.326 2.193 10 30 BEEERN CCCN[C@@]1(C#N)CCc2ccccc21 ZINC000026516902 169283636 /nfs/dbraw/zinc/28/36/36/169283636.db2.gz HHKWUAGXEMSVOH-CYBMUJFWSA-N 0 0 200.285 2.351 10 30 BEEERN CCCN[C@H](C#N)c1cccc(OC)c1 ZINC000020173257 169283796 /nfs/dbraw/zinc/28/37/96/169283796.db2.gz QTFNDHLMROYYTA-GFCCVEGCSA-N 0 0 204.273 2.259 10 30 BEEERN CCC[C@@H](C#N)C(=O)Nc1ccncc1C ZINC000104345578 169343194 /nfs/dbraw/zinc/34/31/94/169343194.db2.gz MFCPHQUUKAMNPK-JTQLQIEISA-N 0 0 217.272 2.268 10 30 BEEERN CCC[C@@H](C#N)C(=O)N[C@@H](C)[C@@H](C)CC ZINC000044824918 169343431 /nfs/dbraw/zinc/34/34/31/169343431.db2.gz OIAHKTVAMOPUBN-DCAQKATOSA-N 0 0 210.321 2.477 10 30 BEEERN CCCOc1cccc([C@@H](C#N)NCCCO)c1 ZINC000020176623 169325950 /nfs/dbraw/zinc/32/59/50/169325950.db2.gz FVRHAZYRIMQKPL-CQSZACIVSA-N 0 0 248.326 2.012 10 30 BEEERN CCCOc1cccc([C@H](C#N)NCCCO)c1 ZINC000020176622 169326150 /nfs/dbraw/zinc/32/61/50/169326150.db2.gz FVRHAZYRIMQKPL-AWEZNQCLSA-N 0 0 248.326 2.012 10 30 BEEERN CCCOc1cccc([C@@H](C#N)NC)c1 ZINC000020176610 169326214 /nfs/dbraw/zinc/32/62/14/169326214.db2.gz WXNADMHZWIAFSL-GFCCVEGCSA-N 0 0 204.273 2.259 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)o1 ZINC000225121463 134351129 /nfs/dbraw/zinc/35/11/29/134351129.db2.gz KHEUUJMZDIPGSQ-JGVFFNPUSA-N 0 0 238.674 2.355 10 30 BEEERN C#CCC(C)(C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000185394380 532990788 /nfs/dbraw/zinc/99/07/88/532990788.db2.gz FUWJQPVIYYMKLZ-OLZOCXBDSA-N 0 0 249.354 2.206 10 30 BEEERN CC(C)(C)n1ncc(C#N)c1-n1cccc1 ZINC000409434271 383829699 /nfs/dbraw/zinc/82/96/99/383829699.db2.gz CQJVIJUHYQFUSS-UHFFFAOYSA-N 0 0 214.272 2.300 10 30 BEEERN O=C(/C=N/N1CCCCC1)c1ccccc1 ZINC000002013398 383943355 /nfs/dbraw/zinc/94/33/55/383943355.db2.gz DUTOVJKMXFGMAZ-SDNWHVSQSA-N 0 0 216.284 2.341 10 30 BEEERN CO[C@@H](c1noc(-c2cc(C#N)c[nH]2)n1)C1CC1 ZINC000234772935 383976627 /nfs/dbraw/zinc/97/66/27/383976627.db2.gz WOEZAHGKTVFMII-SNVBAGLBSA-N 0 0 244.254 2.034 10 30 BEEERN Cc1ccnc(N2C[C@@H]3CCC[C@@H]32)c1C#N ZINC000336500293 384018803 /nfs/dbraw/zinc/01/88/03/384018803.db2.gz YEVMJANJTPUFDS-JQWIXIFHSA-N 0 0 213.284 2.250 10 30 BEEERN CCOc1cc(OC)c(C#N)cc1CC#N ZINC000575650354 384036045 /nfs/dbraw/zinc/03/60/45/384036045.db2.gz UJZLUGKRIZSWJN-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN Cc1cc(Br)c(O)cc1C#N ZINC000260139249 384089151 /nfs/dbraw/zinc/08/91/51/384089151.db2.gz PHHISVAPKMTRLR-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN Cc1ccc2nc3ccc(C#N)cn3c(=O)c2c1 ZINC000082301201 384115346 /nfs/dbraw/zinc/11/53/46/384115346.db2.gz GMAQJISAGMWDHY-UHFFFAOYSA-N 0 0 235.246 2.028 10 30 BEEERN C#CCCCNC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000172925673 533039343 /nfs/dbraw/zinc/03/93/43/533039343.db2.gz KRRZOXFAWCBCFD-BXUZGUMPSA-N 0 0 243.306 2.081 10 30 BEEERN Cc1cccc(CNc2cnccc2C#N)n1 ZINC000135603880 384196043 /nfs/dbraw/zinc/19/60/43/384196043.db2.gz LINBSSUSKVELRA-UHFFFAOYSA-N 0 0 224.267 2.269 10 30 BEEERN CO/N=C/c1ccc(C(=O)N[C@H](C)C(C)C)cc1 ZINC000041975320 384200494 /nfs/dbraw/zinc/20/04/94/384200494.db2.gz BGTCUROGWSTIHS-BTAWCLGRSA-N 0 0 248.326 2.441 10 30 BEEERN C=C1CCCC(C)(C)[C@]1(O)/C=C/[C@H](C)O ZINC000014587658 384245097 /nfs/dbraw/zinc/24/50/97/384245097.db2.gz UAZPGDNBPIYJFY-LMXNMWEISA-N 0 0 210.317 2.421 10 30 BEEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)C1CC1 ZINC000235258966 384299770 /nfs/dbraw/zinc/29/97/70/384299770.db2.gz WIGKVYRXQGERFL-SSDOTTSWSA-N 0 0 232.243 2.072 10 30 BEEERN CCOc1cc(O)c(OC(F)F)c(CC#N)c1 ZINC000575655649 384355957 /nfs/dbraw/zinc/35/59/57/384355957.db2.gz GJGALSUQLDWKDZ-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN O=[N+]([O-])c1cccc2c1C[C@H](CS)C2 ZINC000095080678 384358153 /nfs/dbraw/zinc/35/81/53/384358153.db2.gz DDSVTXDUWCAAQP-SSDOTTSWSA-N 0 0 209.270 2.239 10 30 BEEERN N#CCc1cc(F)cc(OC(F)F)c1O ZINC000575658521 384396021 /nfs/dbraw/zinc/39/60/21/384396021.db2.gz GHGZIQSNQPZQFA-UHFFFAOYSA-N 0 0 217.146 2.199 10 30 BEEERN COc1cc(C=O)c(CC#N)c(OC(F)F)c1 ZINC000575661004 384412145 /nfs/dbraw/zinc/41/21/45/384412145.db2.gz DIQQTSJJFPLDGM-UHFFFAOYSA-N 0 0 241.193 2.175 10 30 BEEERN Cc1cc(OC(F)F)c(CC#N)cc1C=O ZINC000575661225 384416087 /nfs/dbraw/zinc/41/60/87/384416087.db2.gz IIHJMUGWRHTLFA-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN COc1cc(OC(F)(F)F)cc(C#N)c1OC ZINC000575671830 384467235 /nfs/dbraw/zinc/46/72/35/384467235.db2.gz PBXBDGNBXPBAJD-UHFFFAOYSA-N 0 0 247.172 2.474 10 30 BEEERN Cc1cc(NC[C@@H](C)CCO)c(C#N)c(C)n1 ZINC000157456373 384479538 /nfs/dbraw/zinc/47/95/38/384479538.db2.gz MBDAGHBCMXTKGP-VIFPVBQESA-N 0 0 233.315 2.001 10 30 BEEERN Cc1cc(NC[C@@H]2CCC[C@@H]2O)c(C#N)c(C)n1 ZINC000157453726 384480202 /nfs/dbraw/zinc/48/02/02/384480202.db2.gz BECWLNUJCJLCNA-FZMZJTMJSA-N 0 0 245.326 2.143 10 30 BEEERN C=CCSc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000005155045 384523510 /nfs/dbraw/zinc/52/35/10/384523510.db2.gz BNEKBHSYCGNRHR-UHFFFAOYSA-N 0 0 236.218 2.067 10 30 BEEERN COc1cc(O)c(CC#N)cc1Br ZINC000258378307 384573136 /nfs/dbraw/zinc/57/31/36/384573136.db2.gz VCJQJUUMBWMXEV-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN CC[C@H](Nc1cnc(C#N)cn1)C(C)C ZINC000070581303 384585789 /nfs/dbraw/zinc/58/57/89/384585789.db2.gz ZCDNIFYRFSXFQQ-JTQLQIEISA-N 0 0 204.277 2.195 10 30 BEEERN C[C@H](NCCC#N)c1ccccc1[N+](=O)[O-] ZINC000020526275 384621568 /nfs/dbraw/zinc/62/15/68/384621568.db2.gz AHKGUUGGNGISDZ-VIFPVBQESA-N 0 0 219.244 2.159 10 30 BEEERN CCOc1cc2c(cc1/C=N\O)O[C@@H](C)C2 ZINC000100220133 384624152 /nfs/dbraw/zinc/62/41/52/384624152.db2.gz IVJSJHXRGCWOBV-AXSHELLZSA-N 0 0 221.256 2.217 10 30 BEEERN COc1cc(/C=N\O)ccc1OC(C)C ZINC000100237458 384626359 /nfs/dbraw/zinc/62/63/59/384626359.db2.gz ZWVPRUMWJACKFV-GHXNOFRVSA-N 0 0 209.245 2.291 10 30 BEEERN COC(=O)c1cccc(C(C)(C)C#N)c1 ZINC000098177515 384599660 /nfs/dbraw/zinc/59/96/60/384599660.db2.gz FKRJEXVTBGQAMO-UHFFFAOYSA-N 0 0 203.241 2.274 10 30 BEEERN Cc1nnc(SCC(=O)C2CC2)c(C#N)c1C ZINC000119513166 384695426 /nfs/dbraw/zinc/69/54/26/384695426.db2.gz FYQGRCWGUIQKAV-UHFFFAOYSA-N 0 0 247.323 2.036 10 30 BEEERN N#Cc1cc(Cl)ccc1NCC1CC(O)C1 ZINC000084448577 384712988 /nfs/dbraw/zinc/71/29/88/384712988.db2.gz WRXNGDDAZMBEHN-UHFFFAOYSA-N 0 0 236.702 2.394 10 30 BEEERN CCC[C@H](O)CNc1cc(C)nc(C)c1C#N ZINC000158081742 384821051 /nfs/dbraw/zinc/82/10/51/384821051.db2.gz UNKXRACGBZPKFI-NSHDSACASA-N 0 0 233.315 2.143 10 30 BEEERN C[C@H]1CN(c2ccc(F)cc2C#N)C[C@H](C)O1 ZINC000111035729 384825287 /nfs/dbraw/zinc/82/52/87/384825287.db2.gz PEJNGTSFOZGMRL-UWVGGRQHSA-N 0 0 234.274 2.311 10 30 BEEERN CC[C@H](O)CCNc1cc(C)nc(C)c1C#N ZINC000158085538 384834014 /nfs/dbraw/zinc/83/40/14/384834014.db2.gz PFZLFJUPQLPYCT-NSHDSACASA-N 0 0 233.315 2.143 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000119690043 384835667 /nfs/dbraw/zinc/83/56/67/384835667.db2.gz NBXRULBSKLYAIC-JOYOIKCWSA-N 0 0 214.268 2.005 10 30 BEEERN Cc1ccc(OC(F)F)c(N)c1CC#N ZINC000575716410 384873306 /nfs/dbraw/zinc/87/33/06/384873306.db2.gz DMKKSQMQGZWJRD-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN N#CCc1ccc(N)c(OC(F)F)c1F ZINC000575716240 384874184 /nfs/dbraw/zinc/87/41/84/384874184.db2.gz OUOXLFAMOMXKHA-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN CCn1cc(C#N)c(=O)c2cccc(C)c21 ZINC000072236940 384841653 /nfs/dbraw/zinc/84/16/53/384841653.db2.gz VWUYDZHVEUTGMV-UHFFFAOYSA-N 0 0 212.252 2.202 10 30 BEEERN COc1c(C#N)cnc2ccc(F)cc21 ZINC000072237010 384841826 /nfs/dbraw/zinc/84/18/26/384841826.db2.gz GJZQIRXONYDKSJ-UHFFFAOYSA-N 0 0 202.188 2.254 10 30 BEEERN Cc1cc(Br)c(N)c(CC#N)c1 ZINC000575714896 384866122 /nfs/dbraw/zinc/86/61/22/384866122.db2.gz PLQLJNHDFKMDAY-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN N#CCc1cc(N)c(F)c(Br)c1 ZINC000575714817 384867070 /nfs/dbraw/zinc/86/70/70/384867070.db2.gz SJOPKIQYHHCUME-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#CCc1cc([N+](=O)[O-])c(C(F)(F)F)cc1N ZINC000575719785 384893358 /nfs/dbraw/zinc/89/33/58/384893358.db2.gz KCKMWAKYHZNRKH-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN N#CCc1ccc(O)c(N)c1C(F)(F)F ZINC000575719611 384894934 /nfs/dbraw/zinc/89/49/34/384894934.db2.gz VUAIRRCOERGBFI-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN CC(C)c1nc2c(n1C)CCN(CCCC#N)C2 ZINC000106370559 384912957 /nfs/dbraw/zinc/91/29/57/384912957.db2.gz CKSCJVHGKYKWTR-UHFFFAOYSA-N 0 0 246.358 2.205 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC=CCC1 ZINC000408335516 384931296 /nfs/dbraw/zinc/93/12/96/384931296.db2.gz VPPMCLINMCZOLG-WOPDTQHZSA-N 0 0 218.300 2.151 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1c(F)cc(C#N)cc1F ZINC000149805725 384947017 /nfs/dbraw/zinc/94/70/17/384947017.db2.gz FUIBEXCIJYXNKU-HQJQHLMTSA-N 0 0 238.237 2.426 10 30 BEEERN CCS[C@H]1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC000301991678 384948708 /nfs/dbraw/zinc/94/87/08/384948708.db2.gz MUKBURDNYGYBQP-ONGXEEELSA-N 0 0 248.355 2.434 10 30 BEEERN COc1cc(F)cc(OC)c1C1(C#N)CC1 ZINC000260243485 385013868 /nfs/dbraw/zinc/01/38/68/385013868.db2.gz NLEHDMQYMNNBHI-UHFFFAOYSA-N 0 0 221.231 2.398 10 30 BEEERN C[C@H](CC1CC1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188488251 385038608 /nfs/dbraw/zinc/03/86/08/385038608.db2.gz ALANFGDHEFINFE-SECBINFHSA-N 0 0 244.294 2.182 10 30 BEEERN C=C(Cl)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152326191 385098796 /nfs/dbraw/zinc/09/87/96/385098796.db2.gz XBXYYXMIVRAONA-LBPRGKRZSA-N 0 0 238.718 2.287 10 30 BEEERN Cc1cc(NCC2(O)CCCC2)c(C#N)c(C)n1 ZINC000156841965 385315196 /nfs/dbraw/zinc/31/51/96/385315196.db2.gz TZUDBCRDJKUKCW-UHFFFAOYSA-N 0 0 245.326 2.287 10 30 BEEERN C=CCN(CCO)c1ccc2ccccc2n1 ZINC000157708788 385260873 /nfs/dbraw/zinc/26/08/73/385260873.db2.gz BLHPPSIQMIFGEI-UHFFFAOYSA-N 0 0 228.295 2.220 10 30 BEEERN Cc1nc(CN[C@H]2CCC[C@@H]2C#N)cs1 ZINC000054826250 385664519 /nfs/dbraw/zinc/66/45/19/385664519.db2.gz RMEVRALEXIFYOG-KOLCDFICSA-N 0 0 221.329 2.233 10 30 BEEERN C=CC[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000309528024 385665276 /nfs/dbraw/zinc/66/52/76/385665276.db2.gz BGJBZIMVHYJZIL-GXTWGEPZSA-N 0 0 217.312 2.058 10 30 BEEERN CC[C@@H](S)C(=O)NC1CCCCC1 ZINC000307165996 386010036 /nfs/dbraw/zinc/01/00/36/386010036.db2.gz NVMICOQPBQMTMX-SECBINFHSA-N 0 0 201.335 2.144 10 30 BEEERN CCOC(=O)c1cc(C)c(C)cc1C#N ZINC000261256132 386018141 /nfs/dbraw/zinc/01/81/41/386018141.db2.gz CCMLMJZXVPCZSG-UHFFFAOYSA-N 0 0 203.241 2.352 10 30 BEEERN CN[C@](C)(C#N)c1cccc(Br)c1 ZINC000040176501 386269425 /nfs/dbraw/zinc/26/94/25/386269425.db2.gz HAVXEHGUBNNTAB-SNVBAGLBSA-N 0 0 239.116 2.407 10 30 BEEERN N#Cc1ccc(N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1 ZINC000399004223 386505087 /nfs/dbraw/zinc/50/50/87/386505087.db2.gz NSCZADAHFJLKOE-GZBFAFLISA-N 0 0 242.322 2.155 10 30 BEEERN N#CCCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000408371366 386508139 /nfs/dbraw/zinc/50/81/39/386508139.db2.gz WWYWDSDDALYIEA-RYUDHWBXSA-N 0 0 220.316 2.233 10 30 BEEERN COc1cc(C#N)c(OC(F)F)cc1CC#N ZINC000575639948 386565544 /nfs/dbraw/zinc/56/55/44/386565544.db2.gz DKRXDTFDLSELTJ-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN C[C@H](CC1CC1)NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000328918378 386653140 /nfs/dbraw/zinc/65/31/40/386653140.db2.gz AGWIHDLKMQMBMN-SCZZXKLOSA-N 0 0 248.330 2.055 10 30 BEEERN CCOC(=O)Cc1cc(C#N)cc(CC)c1F ZINC000575344421 386691308 /nfs/dbraw/zinc/69/13/08/386691308.db2.gz AHZTVLZKJXUGFC-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN CCOC(=O)Cc1cc(CC)cc(C#N)c1F ZINC000575344433 386691878 /nfs/dbraw/zinc/69/18/78/386691878.db2.gz IUYYUAAUTUPPSS-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN CC(=O)OC(C)(C)C(=O)c1ccccc1C#N ZINC000575361737 386762681 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/nfs/dbraw/zinc/42/29/74/387422974.db2.gz XWIBJXXZPYIVHD-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN C[Si](C)(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000584599672 387501524 /nfs/dbraw/zinc/50/15/24/387501524.db2.gz NMSNVAFDMKWWKG-UHFFFAOYSA-N 0 0 220.304 2.012 10 30 BEEERN CCOC[C@@H](C)Nc1nccc(C)c1C#N ZINC000124937090 387637062 /nfs/dbraw/zinc/63/70/62/387637062.db2.gz GUTLBNWGSLEBON-SNVBAGLBSA-N 0 0 219.288 2.099 10 30 BEEERN N#CCc1cc(C#N)c(OC(F)F)cc1F ZINC000575640958 387841098 /nfs/dbraw/zinc/84/10/98/387841098.db2.gz QTHCUSJOOWBFMO-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN N#CCc1c(C#N)cc(F)cc1OC(F)F ZINC000575641641 387842284 /nfs/dbraw/zinc/84/22/84/387842284.db2.gz WUONFEZHSXDXMZ-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN COc1cc(CC#N)cc(C#N)c1OC(F)F ZINC000575642091 387846037 /nfs/dbraw/zinc/84/60/37/387846037.db2.gz WNOQVPBMPVMKIM-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN COc1c(C#N)cc(OC(F)F)cc1CC#N ZINC000575642191 387846044 /nfs/dbraw/zinc/84/60/44/387846044.db2.gz ZVBDUQVUAWEBDS-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)c(C)n1 ZINC000061888538 387847173 /nfs/dbraw/zinc/84/71/73/387847173.db2.gz QJDKNBOKAZLINN-AAEUAGOBSA-N 0 0 243.310 2.121 10 30 BEEERN N#CCc1c(O)cc(C(F)F)cc1C#N ZINC000575643494 387864875 /nfs/dbraw/zinc/86/48/75/387864875.db2.gz QXXOXSYTOKPRRB-UHFFFAOYSA-N 0 0 208.167 2.268 10 30 BEEERN CCOc1cc(CC#N)cc(C#N)c1F ZINC000575645476 387875337 /nfs/dbraw/zinc/87/53/37/387875337.db2.gz PLEBBCIGQDAOAY-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCc1cc(OC)c(CC#N)cc1C#N ZINC000575644716 387876484 /nfs/dbraw/zinc/87/64/84/387876484.db2.gz ITDFHGLESNGDBY-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN CCc1cc(CC#N)c(C#N)c([N+](=O)[O-])c1 ZINC000575646915 387883407 /nfs/dbraw/zinc/88/34/07/387883407.db2.gz JUNGKWZBUHAMIP-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN CCOc1cc(F)c(C#N)cc1CC#N ZINC000575646925 387884185 /nfs/dbraw/zinc/88/41/85/387884185.db2.gz XBXGDXQULPZGAS-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCOc1cc(CC#N)c(C)cc1C#N ZINC000575651084 387886916 /nfs/dbraw/zinc/88/69/16/387886916.db2.gz VNGPBIPVZFPDAW-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN Cc1csc([C@H]2CCCN(CC#N)C2)n1 ZINC000195327865 387917809 /nfs/dbraw/zinc/91/78/09/387917809.db2.gz HDPCXNLFPTXULU-JTQLQIEISA-N 0 0 221.329 2.155 10 30 BEEERN C=CCCCC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000175566209 387908925 /nfs/dbraw/zinc/90/89/25/387908925.db2.gz RUUIPQBQBWLSOU-ZDUSSCGKSA-N 0 0 247.342 2.440 10 30 BEEERN C#CC[N@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000083403055 388052120 /nfs/dbraw/zinc/05/21/20/388052120.db2.gz DERNFNNBYRRLAZ-GFCCVEGCSA-N 0 0 245.322 2.126 10 30 BEEERN C=CCN(C)C(=O)N[C@H](CC)c1nccs1 ZINC000119163002 388105728 /nfs/dbraw/zinc/10/57/28/388105728.db2.gz PBIUOHMIXZZIRY-SECBINFHSA-N 0 0 239.344 2.422 10 30 BEEERN COC[C@@H](C)C(=O)Nc1cc(C#N)ccc1C ZINC000171464150 388404202 /nfs/dbraw/zinc/40/42/02/388404202.db2.gz IJVKAAXYLAIBDL-SNVBAGLBSA-N 0 0 232.283 2.088 10 30 BEEERN N#Cc1ccc(N2CCO[C@@H]3CCCC[C@H]32)nc1 ZINC000227164101 388358591 /nfs/dbraw/zinc/35/85/91/388358591.db2.gz CUISZGLSFHNMQI-CHWSQXEVSA-N 0 0 243.310 2.101 10 30 BEEERN CC(C)[C@@H](C)NC(=O)C1(C#N)CC(C)C1 ZINC000122316121 388376645 /nfs/dbraw/zinc/37/66/45/388376645.db2.gz RUYNANDDJATHGS-SQLBVSGCSA-N 0 0 208.305 2.087 10 30 BEEERN N#Cc1cnc(N2CC[C@@H]3CCCC[C@@H]32)cn1 ZINC000134277713 388396921 /nfs/dbraw/zinc/39/69/21/388396921.db2.gz PUQQHTIDADTODI-JQWIXIFHSA-N 0 0 228.299 2.117 10 30 BEEERN O=Cc1ccc(C#Cc2ccncc2)cc1 ZINC000090669072 388456443 /nfs/dbraw/zinc/45/64/43/388456443.db2.gz DLSNDGZJILCGLG-UHFFFAOYSA-N 0 0 207.232 2.294 10 30 BEEERN CCOC(=O)c1cc(C#N)cc([N+](=O)[O-])c1CC ZINC000575388785 388471265 /nfs/dbraw/zinc/47/12/65/388471265.db2.gz FSKOHDIRPINBFB-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC000245654902 388426613 /nfs/dbraw/zinc/42/66/13/388426613.db2.gz DDNLPYKQKSCAKR-GBIKHYSHSA-N 0 0 245.326 2.441 10 30 BEEERN CN[C@H](C#N)c1ccc(Br)s1 ZINC000041678744 388438928 /nfs/dbraw/zinc/43/89/28/388438928.db2.gz UWVMSNPYYLIBIJ-RXMQYKEDSA-N 0 0 231.118 2.295 10 30 BEEERN CC(=O)Nc1ccc(C(=O)[C@@H](C)CC#N)cc1 ZINC000082296810 388587341 /nfs/dbraw/zinc/58/73/41/388587341.db2.gz CTVBMXSZFOXLEH-VIFPVBQESA-N 0 0 230.267 2.377 10 30 BEEERN COC(=O)Cc1ccc(C#N)c(C(F)F)c1F ZINC000575389919 388569041 /nfs/dbraw/zinc/56/90/41/388569041.db2.gz UNIJJJYUQFHHQH-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN C[C@H](Nc1ccc(C#N)nn1)c1ccco1 ZINC000301917728 388616515 /nfs/dbraw/zinc/61/65/15/388616515.db2.gz JMXCDGSCHVXFAZ-QMMMGPOBSA-N 0 0 214.228 2.114 10 30 BEEERN Cc1ccnc(N2CCC[C@]23CCOC3)c1C#N ZINC000311071267 388672752 /nfs/dbraw/zinc/67/27/52/388672752.db2.gz KFCBRPIATVYFDL-CQSZACIVSA-N 0 0 243.310 2.021 10 30 BEEERN COc1ccc(CN2[C@@H](C#N)CC[C@@H]2C#N)cc1 ZINC000575440940 388632590 /nfs/dbraw/zinc/63/25/90/388632590.db2.gz MIQZHBYHSMLDIX-CHWSQXEVSA-N 0 0 241.294 2.075 10 30 BEEERN C[C@@H](O)C1CCN(c2ccc(C#N)cc2)CC1 ZINC000110599951 388647468 /nfs/dbraw/zinc/64/74/68/388647468.db2.gz QJHGPUQTQKBVIX-LLVKDONJSA-N 0 0 230.311 2.155 10 30 BEEERN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000248963101 388701276 /nfs/dbraw/zinc/70/12/76/388701276.db2.gz RJDDXTVQYBADKT-YRGRVCCFSA-N 0 0 239.359 2.256 10 30 BEEERN C=CCCN=C1CN(C(=O)OC(C)(C)C)C1 ZINC000521399608 388704303 /nfs/dbraw/zinc/70/43/03/388704303.db2.gz MDQNNDSANFBZDY-UHFFFAOYSA-N 0 0 224.304 2.254 10 30 BEEERN N#Cc1cccc(N[C@H]2COc3ccccc32)n1 ZINC000080118725 388708146 /nfs/dbraw/zinc/70/81/46/388708146.db2.gz KUMDPNQRSHYHFC-LBPRGKRZSA-N 0 0 237.262 2.499 10 30 BEEERN CC1CC(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000530761885 388716123 /nfs/dbraw/zinc/71/61/23/388716123.db2.gz MADCOVIGNPYVLW-UHFFFAOYSA-N 0 0 228.295 2.221 10 30 BEEERN C=CCCCN(C)C(=O)N[C@H](COC)C1CC1 ZINC000127222745 388718743 /nfs/dbraw/zinc/71/87/43/388718743.db2.gz FFVBBTKYPVSLSZ-GFCCVEGCSA-N 0 0 240.347 2.019 10 30 BEEERN C[C@H](C#N)CN(C)C(=O)[C@H]1CCC[C@@H]1C ZINC000230170556 388818770 /nfs/dbraw/zinc/81/87/70/388818770.db2.gz IBBBOPXKNIFPDA-VWYCJHECSA-N 0 0 208.305 2.041 10 30 BEEERN CCN(CCC#N)C(=O)[C@H]1CCC[C@@H]1C ZINC000230170613 388819000 /nfs/dbraw/zinc/81/90/00/388819000.db2.gz YDGDYNPLMCYGQB-QWRGUYRKSA-N 0 0 208.305 2.185 10 30 BEEERN CCOC(=O)c1oc2c(c1C)C(=NO)CCC2 ZINC000254560504 388824131 /nfs/dbraw/zinc/82/41/31/388824131.db2.gz WSTPCWUDXYGPBZ-UHFFFAOYSA-N 0 0 237.255 2.279 10 30 BEEERN C[C@H]1CN(c2ccc(C#N)cc2)CCS1 ZINC000135471403 132300234 /nfs/dbraw/zinc/30/02/34/132300234.db2.gz COEGZPWWVHDRNV-JTQLQIEISA-N 0 0 218.325 2.500 10 30 BEEERN C/C(=N\OCC(=O)NC(C)C)c1cccs1 ZINC000005447069 533417726 /nfs/dbraw/zinc/41/77/26/533417726.db2.gz KHIIBXADMLHVPM-UKTHLTGXSA-N 0 0 240.328 2.013 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@H](C)C1CCOCC1 ZINC000119111710 533501864 /nfs/dbraw/zinc/50/18/64/533501864.db2.gz CZNYBPWZGXCMAJ-GFCCVEGCSA-N 0 0 239.359 2.474 10 30 BEEERN CC1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000302693407 132265751 /nfs/dbraw/zinc/26/57/51/132265751.db2.gz DADOGCIPPLQAHV-UHFFFAOYSA-N 0 0 246.270 2.098 10 30 BEEERN N#Cc1ccc(N2CCO[C@H]3CCCC[C@@H]32)nc1 ZINC000043427686 132353153 /nfs/dbraw/zinc/35/31/53/132353153.db2.gz CUISZGLSFHNMQI-STQMWFEESA-N 0 0 243.310 2.101 10 30 BEEERN Cc1ccc(N2CCCC[C@@H]2C=O)c([N+](=O)[O-])c1 ZINC000054268225 132363798 /nfs/dbraw/zinc/36/37/98/132363798.db2.gz LIKKWDDAIWATPS-LLVKDONJSA-N 0 0 248.282 2.461 10 30 BEEERN O=C[C@H]1CCCCN1c1ncnc2ccccc21 ZINC000054268367 132363884 /nfs/dbraw/zinc/36/38/84/132363884.db2.gz RUCDENDVDFQXII-LLVKDONJSA-N 0 0 241.294 2.188 10 30 BEEERN O=C[C@@H]1CCCCN1c1ncnc2sccc21 ZINC000054268210 132363907 /nfs/dbraw/zinc/36/39/07/132363907.db2.gz TULTYGDSZLQMJI-VIFPVBQESA-N 0 0 247.323 2.249 10 30 BEEERN O=C[C@@H]1CCCN(c2ncnc3ccsc32)C1 ZINC000054268719 132364092 /nfs/dbraw/zinc/36/40/92/132364092.db2.gz XRFLIDBXHKPPFO-SECBINFHSA-N 0 0 247.323 2.107 10 30 BEEERN C=CC[C@@H](C)NC(=O)N1CCCSCC1 ZINC000116971054 133446101 /nfs/dbraw/zinc/44/61/01/133446101.db2.gz SMSPMHYUCWRWEP-SNVBAGLBSA-N 0 0 228.361 2.100 10 30 BEEERN C[C@@H]1CC[C@]2(CCN(c3nccc(C#N)n3)C2)C1 ZINC000408457625 133498092 /nfs/dbraw/zinc/49/80/92/133498092.db2.gz PSOILBFCUWWBET-RISCZKNCSA-N 0 0 242.326 2.365 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCOCC1 ZINC000330231028 133539577 /nfs/dbraw/zinc/53/95/77/133539577.db2.gz QWHRRIMXUKTHQL-WOPDTQHZSA-N 0 0 236.315 2.452 10 30 BEEERN CCc1noc(C)c1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000329249594 133962431 /nfs/dbraw/zinc/96/24/31/133962431.db2.gz XDTXCQUPDGKLOP-GMSGAONNSA-N 0 0 238.287 2.027 10 30 BEEERN Cc1cnc([C@H](C)NC(=O)C[C@H]2CCOC2)o1 ZINC000329471980 133963165 /nfs/dbraw/zinc/96/31/65/133963165.db2.gz ZYRUYYQTSDQBDN-VHSXEESVSA-N 0 0 238.287 2.427 10 30 BEEERN N#C[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)C1CC1 ZINC000329825515 133989322 /nfs/dbraw/zinc/98/93/22/133989322.db2.gz BZDSYJYYQXBOOO-UWVGGRQHSA-N 0 0 235.287 2.144 10 30 BEEERN CC#CCNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000121085825 134231216 /nfs/dbraw/zinc/23/12/16/134231216.db2.gz CYBABGGOSXCKND-MRXNPFEDSA-N 0 0 241.334 2.420 10 30 BEEERN N#CC1(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000121002436 134231235 /nfs/dbraw/zinc/23/12/35/134231235.db2.gz NQTJRHXIPNSHQG-VXGBXAGGSA-N 0 0 232.327 2.375 10 30 BEEERN C=CCCS(=O)(=O)N1C[C@@H](C)CC[C@H]1C ZINC000121127920 134231714 /nfs/dbraw/zinc/23/17/14/134231714.db2.gz LEJKKZSTISOJGA-WDEREUQCSA-N 0 0 231.361 2.013 10 30 BEEERN CC#CCN1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121340007 134233219 /nfs/dbraw/zinc/23/32/19/134233219.db2.gz PXRCVEAHXWIJDM-LBPRGKRZSA-N 0 0 237.343 2.206 10 30 BEEERN Cc1cc([C@H]2CN([C@@H](C)C#N)CCO2)ccc1F ZINC000182302871 134344117 /nfs/dbraw/zinc/34/41/17/134344117.db2.gz CNHRNTDXOGUJBH-SMDDNHRTSA-N 0 0 248.301 2.420 10 30 BEEERN CCN(C[C@H](C)C#N)C[C@@H]1Cc2ccccc2O1 ZINC000227299788 134379870 /nfs/dbraw/zinc/37/98/70/134379870.db2.gz NNYVMBCKSGBYKJ-OCCSQVGLSA-N 0 0 244.338 2.472 10 30 BEEERN CC(C)[C@@H](C)CC(=O)N[C@H](C#N)C1CC1 ZINC000108828941 134391829 /nfs/dbraw/zinc/39/18/29/134391829.db2.gz OOBQVCFHDKADKP-GXSJLCMTSA-N 0 0 208.305 2.087 10 30 BEEERN Cc1nnc(N[C@@H]2CCC[C@H]2C#N)c(C#N)c1C ZINC000408108408 134394238 /nfs/dbraw/zinc/39/42/38/134394238.db2.gz UUECUUYIAHDFOE-CMPLNLGQSA-N 0 0 241.298 2.069 10 30 BEEERN Cc1cnc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)o1 ZINC000309579439 134598760 /nfs/dbraw/zinc/59/87/60/134598760.db2.gz PYQVZESFLQRENQ-AXFHLTTASA-N 0 0 219.288 2.326 10 30 BEEERN O=C(NC[C@H]1CCCSC1)[C@H]1CNC(=O)C1 ZINC000329243632 134602447 /nfs/dbraw/zinc/60/24/47/134602447.db2.gz TTWULBSTQWKMCC-RKDXNWHRSA-N 0 0 242.344 2.063 10 30 BEEERN O=C(NC[C@@H]1CCCSC1)[C@H]1CNC(=O)C1 ZINC000329243626 134602834 /nfs/dbraw/zinc/60/28/34/134602834.db2.gz TTWULBSTQWKMCC-DTWKUNHWSA-N 0 0 242.344 2.063 10 30 BEEERN Cc1cccc(CC(=O)NC2(C#N)CCCC2)c1 ZINC000052135871 134696583 /nfs/dbraw/zinc/69/65/83/134696583.db2.gz NROGQNLOQNICKD-UHFFFAOYSA-N 0 0 242.322 2.490 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)CC1CCCC1 ZINC000061889157 134803912 /nfs/dbraw/zinc/80/39/12/134803912.db2.gz OBJXLDMOURCOCM-NWDGAFQWSA-N 0 0 220.316 2.375 10 30 BEEERN C[C@H](C#N)N1CCO[C@@H](c2ccsc2)C1 ZINC000248446343 135010295 /nfs/dbraw/zinc/01/02/95/135010295.db2.gz GXBMFWRRBQVPTM-MWLCHTKSSA-N 0 0 222.313 2.033 10 30 BEEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000248620920 135017318 /nfs/dbraw/zinc/01/73/18/135017318.db2.gz LLAXKZNIOWNHDR-QJPTWQEYSA-N 0 0 225.332 2.272 10 30 BEEERN CC(C)(C(=O)N[C@H]1CCC[C@@H]1C#N)C(C)(F)F ZINC000336220071 135069318 /nfs/dbraw/zinc/06/93/18/135069318.db2.gz ZHRZXYNQIXJHTQ-BDAKNGLRSA-N 0 0 244.285 2.476 10 30 BEEERN C[C@H](CC#N)N(C)C[C@H]1Cc2ccccc2O1 ZINC000251576629 135071459 /nfs/dbraw/zinc/07/14/59/135071459.db2.gz NIIUARUVBAQQBR-DGCLKSJQSA-N 0 0 230.311 2.224 10 30 BEEERN N#CCCOCCOCc1ccccc1 ZINC000238545751 135076693 /nfs/dbraw/zinc/07/66/93/135076693.db2.gz BFACHUMASIGIKI-UHFFFAOYSA-N 0 0 205.257 2.133 10 30 BEEERN CC(C)[C@@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000122545554 135227939 /nfs/dbraw/zinc/22/79/39/135227939.db2.gz KATLCTGDKIEVSW-LLVKDONJSA-N 0 0 220.316 2.185 10 30 BEEERN CCS[C@H]1CC[C@@H](Nc2nccnc2C#N)C1 ZINC000078586504 135395076 /nfs/dbraw/zinc/39/50/76/135395076.db2.gz RUPIWJMSYKMESV-ZJUUUORDSA-N 0 0 248.355 2.434 10 30 BEEERN CC1(C)C[C@@H]1NC(=O)[C@@H]1CCCC(=O)N1 ZINC000328844457 135466911 /nfs/dbraw/zinc/46/69/11/135466911.db2.gz WUXRPDXHGYYBRZ-YUMQZZPRSA-N 0 0 210.277 2.250 10 30 BEEERN C[C@@H](CC#N)N1CCC=C(Br)C1 ZINC000281691896 135513864 /nfs/dbraw/zinc/51/38/64/135513864.db2.gz RWTITUUCEGICBX-QMMMGPOBSA-N 0 0 229.121 2.273 10 30 BEEERN C=CCCCN(C)C(=O)c1c(C)nn(C)c1C ZINC000135083265 135554203 /nfs/dbraw/zinc/55/42/03/135554203.db2.gz MNBWAJIMGFXDST-UHFFFAOYSA-N 0 0 235.331 2.075 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)s1 ZINC000061888951 135563611 /nfs/dbraw/zinc/56/36/11/135563611.db2.gz QRAYVRNSRQNZRY-NXEZZACHSA-N 0 0 234.324 2.479 10 30 BEEERN N#CC1(C(=O)N2C[C@@H]3CCC[C@H]32)CCCC1 ZINC000335144402 135911434 /nfs/dbraw/zinc/91/14/34/135911434.db2.gz CZZAMSCDDOYAII-WDEREUQCSA-N 0 0 218.300 2.081 10 30 BEEERN N#Cc1cscc1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000335346333 136066863 /nfs/dbraw/zinc/06/68/63/136066863.db2.gz LEDAQRCDPYNKTH-LDYMZIIASA-N 0 0 232.308 2.244 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1CC2(CCC2)C1 ZINC000335548237 136097236 /nfs/dbraw/zinc/09/72/36/136097236.db2.gz NELGPAXKZMNFDP-PWSUYJOCSA-N 0 0 232.327 2.375 10 30 BEEERN C=C(C)C(C)(C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000335569512 136108516 /nfs/dbraw/zinc/10/85/16/136108516.db2.gz PIJKQMWVKFYWHU-QWRGUYRKSA-N 0 0 225.332 2.225 10 30 BEEERN O=CC[C@H](O)c1cscc1Br ZINC000307134164 397986665 /nfs/dbraw/zinc/98/66/65/397986665.db2.gz NQDQFGLBMVYTFC-ZETCQYMHSA-N 0 0 235.102 2.133 10 30 BEEERN COc1ccc([C@H](C#N)C(C)=O)c(C)c1OC ZINC000584594513 398077163 /nfs/dbraw/zinc/07/71/63/398077163.db2.gz JJIXNEXMWNJDPR-LLVKDONJSA-N 0 0 233.267 2.208 10 30 BEEERN CC(C)COc1ccc(/C=C/C(=O)NO)cc1 ZINC000584627423 398080329 /nfs/dbraw/zinc/08/03/29/398080329.db2.gz RPELHFIMDQXXPW-VMPITWQZSA-N 0 0 235.283 2.240 10 30 BEEERN N#Cc1cccc(C#Cc2ccsc2)n1 ZINC000584639617 398083961 /nfs/dbraw/zinc/08/39/61/398083961.db2.gz SWIDETZWOPXVSM-UHFFFAOYSA-N 0 0 210.261 2.415 10 30 BEEERN CC(C)(C)n1cc(CN[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000061892478 398108143 /nfs/dbraw/zinc/10/81/43/398108143.db2.gz PGXJLUZJNQBJDA-CHWSQXEVSA-N 0 0 246.358 2.420 10 30 BEEERN C[C@H]1C[C@H]1Nc1snc(Cl)c1C#N ZINC000263924241 177386585 /nfs/dbraw/zinc/38/65/85/177386585.db2.gz XCVVHTJDXGYASY-UJURSFKZSA-N 0 0 213.693 2.488 10 30 BEEERN CC(C)S(=O)(=O)c1ccc(CS)cc1 ZINC000077360171 167319730 /nfs/dbraw/zinc/31/97/30/167319730.db2.gz AMSZLKQMIBWIKL-UHFFFAOYSA-N 0 0 230.354 2.299 10 30 BEEERN C#CCNC1(c2noc(C(C)C)n2)CCCC1 ZINC000173703104 166188123 /nfs/dbraw/zinc/18/81/23/166188123.db2.gz SRRLETMJJXVIAA-UHFFFAOYSA-N 0 0 233.315 2.185 10 30 BEEERN C#Cc1cccc(NCc2nccn2C)c1 ZINC000036896213 166223760 /nfs/dbraw/zinc/22/37/60/166223760.db2.gz YATMWYWGORNVTN-UHFFFAOYSA-N 0 0 211.268 2.014 10 30 BEEERN C=CCCOCCC(=O)Nc1ccccc1C#N ZINC000020519240 166269489 /nfs/dbraw/zinc/26/94/89/166269489.db2.gz GTPLNGCKLYYLJK-UHFFFAOYSA-N 0 0 244.294 2.480 10 30 BEEERN C=CCCO[C@H](C)C(=O)N[C@@H](C)C(C)C ZINC000125082098 166276639 /nfs/dbraw/zinc/27/66/39/166276639.db2.gz CYLRIAWPSFYQEQ-WDEREUQCSA-N 0 0 213.321 2.128 10 30 BEEERN C=CCN(C)c1ncc(Br)cc1N ZINC000077389591 166322596 /nfs/dbraw/zinc/32/25/96/166322596.db2.gz YZROKQIOLLYNFA-UHFFFAOYSA-N 0 0 242.120 2.049 10 30 BEEERN C=CC[N@@H+](CC(=O)[O-])Cc1c[nH]c2ccccc12 ZINC000076626623 166327112 /nfs/dbraw/zinc/32/71/12/166327112.db2.gz PYSLZORYOBTSDG-UHFFFAOYSA-N 0 0 244.294 2.241 10 30 BEEERN C=CCN(CC=C)C(=O)CCc1cccc(N)c1 ZINC000041139352 166328544 /nfs/dbraw/zinc/32/85/44/166328544.db2.gz KEPKSTSOKKKYSW-UHFFFAOYSA-N 0 0 244.338 2.402 10 30 BEEERN C=CCN(CC=C)C(=O)c1ccc(N)c(C)c1 ZINC000019474208 166332017 /nfs/dbraw/zinc/33/20/17/166332017.db2.gz WWVBZHXHNHEMHM-UHFFFAOYSA-N 0 0 230.311 2.391 10 30 BEEERN C=CCN(CC=C)c1ccc(Cl)nn1 ZINC000039189186 166338188 /nfs/dbraw/zinc/33/81/88/166338188.db2.gz ZEGCQICQMIAVBO-UHFFFAOYSA-N 0 0 209.680 2.308 10 30 BEEERN C=CCN(CC=C)c1cnc(C(C)C)nc1CO ZINC000050364972 166339862 /nfs/dbraw/zinc/33/98/62/166339862.db2.gz PXPUEXMNVXBOBK-UHFFFAOYSA-N 0 0 247.342 2.271 10 30 BEEERN C=CCNC(=S)N=NCc1sccc1C ZINC000033361695 166348571 /nfs/dbraw/zinc/34/85/71/166348571.db2.gz SCCREPNJWIJACN-KPKJPENVSA-N 0 0 239.369 2.452 10 30 BEEERN C=CC[N@H+]1C[C@H](C(=O)[O-])C2(C1)CCCCC2 ZINC000008698600 166361638 /nfs/dbraw/zinc/36/16/38/166361638.db2.gz VPZLVUUDUUAHOP-LLVKDONJSA-N 0 0 223.316 2.139 10 30 BEEERN C=CCNC(=O)COc1ccccc1CC=C ZINC000002609987 166372142 /nfs/dbraw/zinc/37/21/42/166372142.db2.gz RRDMNNXUYBQPEW-UHFFFAOYSA-N 0 0 231.295 2.096 10 30 BEEERN C=CCNC(=O)[C@H](C)Nc1c(F)cccc1F ZINC000020359507 166388376 /nfs/dbraw/zinc/38/83/76/166388376.db2.gz OAJSBGONECDJIZ-QMMMGPOBSA-N 0 0 240.253 2.067 10 30 BEEERN C=CCNC(=O)c1cc2c(cccc2OC)n1C ZINC000040788521 166391657 /nfs/dbraw/zinc/39/16/57/166391657.db2.gz PDFBMPGXZUWXIA-UHFFFAOYSA-N 0 0 244.294 2.103 10 30 BEEERN C=CCNCC(=O)c1cc(Cl)ccc1OC ZINC000049829938 166399014 /nfs/dbraw/zinc/39/90/14/166399014.db2.gz BEMCXVWNUOXTQX-UHFFFAOYSA-N 0 0 239.702 2.307 10 30 BEEERN C=CCN[C@@H](C(=O)OCC)c1ccccc1OC ZINC000051961976 166403536 /nfs/dbraw/zinc/40/35/36/166403536.db2.gz JQHBBDZKFXGWNR-CYBMUJFWSA-N 0 0 249.310 2.075 10 30 BEEERN C=CCNc1cc(Cl)nc(Cl)n1 ZINC000091352103 166408316 /nfs/dbraw/zinc/40/83/16/166408316.db2.gz VDOCGNBBQCVPPO-UHFFFAOYSA-N 0 0 204.060 2.381 10 30 BEEERN C=CCOc1ccc(CN(C)C(=O)C=C)cc1 ZINC000037828495 166424049 /nfs/dbraw/zinc/42/40/49/166424049.db2.gz OKVPEWATDKMXQC-UHFFFAOYSA-N 0 0 231.295 2.396 10 30 BEEERN CC(C)(C)C1CCC(C#N)(NCCCO)CC1 ZINC000053708672 166541656 /nfs/dbraw/zinc/54/16/56/166541656.db2.gz VLNVALFNKOVALD-UHFFFAOYSA-N 0 0 238.375 2.457 10 30 BEEERN CC(C)(C)NC(=O)C(=O)/C=C/c1cccs1 ZINC000072170830 166611302 /nfs/dbraw/zinc/61/13/02/166611302.db2.gz USJUMFNTPAPGBK-VOTSOKGWSA-N 0 0 237.324 2.245 10 30 BEEERN CC(C)(C)OC(=O)N[C@H](C#N)c1cccc(O)c1 ZINC000049836173 166667633 /nfs/dbraw/zinc/66/76/33/166667633.db2.gz NZIJYANUFDOBCS-LLVKDONJSA-N 0 0 248.282 2.482 10 30 BEEERN CC(C)COC(=O)N(CCC#N)C(C)C ZINC000042530518 167020555 /nfs/dbraw/zinc/02/05/55/167020555.db2.gz UNQMMXPXUUBGBL-UHFFFAOYSA-N 0 0 212.293 2.403 10 30 BEEERN CC(C)N[C@@]1(C#N)CCOc2ccccc21 ZINC000036924634 167136281 /nfs/dbraw/zinc/13/62/81/167136281.db2.gz WVLMVQKUESPMBP-CYBMUJFWSA-N 0 0 216.284 2.186 10 30 BEEERN CC(C)N[C@H](C#N)c1ccc2c(c1)OCCO2 ZINC000020175576 167136472 /nfs/dbraw/zinc/13/64/72/167136472.db2.gz WTWHLSDETRMWJP-LLVKDONJSA-N 0 0 232.283 2.020 10 30 BEEERN CC(C)[C@@H](C#N)C(=O)NCCc1cccs1 ZINC000044811185 167340584 /nfs/dbraw/zinc/34/05/84/167340584.db2.gz KJNQROUMWSZYCB-LLVKDONJSA-N 0 0 236.340 2.203 10 30 BEEERN CC(C)[C@@H](C)Sc1cnc(C#N)cn1 ZINC000125943781 167388768 /nfs/dbraw/zinc/38/87/68/167388768.db2.gz OLSODJUHDJOELV-MRVPVSSYSA-N 0 0 207.302 2.485 10 30 BEEERN CC(C)[C@H]1OCC[C@H]1CNc1cccc(C#N)n1 ZINC000267235221 167517875 /nfs/dbraw/zinc/51/78/75/167517875.db2.gz QSQVDRMZQJKAOH-SMDDNHRTSA-N 0 0 245.326 2.426 10 30 BEEERN CC(C)c1ccc([C@H](C#N)NCCCO)cc1 ZINC000020174354 167617497 /nfs/dbraw/zinc/61/74/97/167617497.db2.gz YGWAFEUFTDVBLY-AWEZNQCLSA-N 0 0 232.327 2.347 10 30 BEEERN CCOc1ccc(C(C)=O)cc1CC#N ZINC000204910997 411164966 /nfs/dbraw/zinc/16/49/66/411164966.db2.gz PQLVVZLKLRHGGX-UHFFFAOYSA-N 0 0 203.241 2.354 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(C#N)cc1 ZINC000231692701 411185785 /nfs/dbraw/zinc/18/57/85/411185785.db2.gz OIGWTIWBRGEHLK-OLZOCXBDSA-N 0 0 228.295 2.477 10 30 BEEERN C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000659802210 411293390 /nfs/dbraw/zinc/29/33/90/411293390.db2.gz OXRRDCCYYPBTJK-NWDGAFQWSA-N 0 0 223.316 2.138 10 30 BEEERN CC1(Nc2nccnc2C#N)CCCC1 ZINC000054377826 168064991 /nfs/dbraw/zinc/06/49/91/168064991.db2.gz NHNZSZKRZOSHDP-UHFFFAOYSA-N 0 0 202.261 2.093 10 30 BEEERN CC1(Nc2nccnc2C#N)CCCCC1 ZINC000054379433 168065381 /nfs/dbraw/zinc/06/53/81/168065381.db2.gz UXISMWIOQWJCLL-UHFFFAOYSA-N 0 0 216.288 2.483 10 30 BEEERN CC1=C[C@H](c2ccccc2)[C@@H](C#N)C(=O)O1 ZINC000075622523 168131923 /nfs/dbraw/zinc/13/19/23/168131923.db2.gz KPBCDXHDVWZYTE-VXGBXAGGSA-N 0 0 213.236 2.371 10 30 BEEERN CCC(=O)N[C@@H](C)c1cccc(C#CCCO)c1 ZINC000049589637 168236160 /nfs/dbraw/zinc/23/61/60/168236160.db2.gz WZAJYXCVJZDKDV-LBPRGKRZSA-N 0 0 245.322 2.008 10 30 BEEERN CCC(C)(C)Nc1ncc(N)cc1C#N ZINC000037758929 168302819 /nfs/dbraw/zinc/30/28/19/168302819.db2.gz DUFMNOPXCLQXRL-UHFFFAOYSA-N 0 0 204.277 2.136 10 30 BEEERN CCC(C)(C)c1ccc(OC/C(N)=N/O)cc1 ZINC000019426973 168305965 /nfs/dbraw/zinc/30/59/65/168305965.db2.gz IDOLBJYXXQZZSX-UHFFFAOYSA-N 0 0 236.315 2.499 10 30 BEEERN C#Cc1ccc([C@H](O)C(F)(F)F)cc1 ZINC000219513966 411447344 /nfs/dbraw/zinc/44/73/44/411447344.db2.gz KDBTXUVLYVGRJD-VIFPVBQESA-N 0 0 200.159 2.264 10 30 BEEERN CCN[C@](C)(C#N)Cn1nc(C)c(Cl)c1C ZINC000050587955 170170647 /nfs/dbraw/zinc/17/06/47/170170647.db2.gz LJHZOKVFKQSAIZ-LLVKDONJSA-N 0 0 240.738 2.045 10 30 BEEERN CCO/C(C)=N\S(=O)(=O)c1ccc(C)cc1 ZINC000003172510 170179292 /nfs/dbraw/zinc/17/92/92/170179292.db2.gz RFRBSBOTAXJOEJ-BENRWUELSA-N 0 0 241.312 2.139 10 30 BEEERN CCOC(=O)C12CCC(CC1)C[C@@H]2C#N ZINC000005325209 170191290 /nfs/dbraw/zinc/19/12/90/170191290.db2.gz FFZYQOLZQAOCCX-SQLBVSGCSA-N 0 0 207.273 2.270 10 30 BEEERN CCOC(=O)CNc1ccc(C#N)c(Cl)c1 ZINC000036964043 170227472 /nfs/dbraw/zinc/22/74/72/170227472.db2.gz KTOMPMMSBLQDSK-UHFFFAOYSA-N 0 0 238.674 2.187 10 30 BEEERN CCOC(=O)Nc1ccccc1/C(C)=N/O ZINC000019513317 170244176 /nfs/dbraw/zinc/24/41/76/170244176.db2.gz FJTFJVIMCVLEQC-MDWZMJQESA-N 0 0 222.244 2.453 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1cncc2ccccc21 ZINC000044197567 170245609 /nfs/dbraw/zinc/24/56/09/170245609.db2.gz WAKMXXMRJZAELC-LBPRGKRZSA-N 0 0 240.262 2.405 10 30 BEEERN CCOC(=O)[C@H](C#N)c1cccc(C)c1 ZINC000001592748 170264098 /nfs/dbraw/zinc/26/40/98/170264098.db2.gz OZDOHNGJQMZVKU-LLVKDONJSA-N 0 0 203.241 2.165 10 30 BEEERN CCOC1=CC(=O)[C@@H](c2ccncc2)CC1 ZINC000039100338 170320035 /nfs/dbraw/zinc/32/00/35/170320035.db2.gz VCZKOXKYADBRFK-GFCCVEGCSA-N 0 0 217.268 2.449 10 30 BEEERN CCOCCNc1cc(C)ccc1C#N ZINC000051579085 170415608 /nfs/dbraw/zinc/41/56/08/170415608.db2.gz YBVQTYKQSOIDJA-UHFFFAOYSA-N 0 0 204.273 2.315 10 30 BEEERN CCOc1ccc2c(c1)n(CCC#N)ccc2=O ZINC000072237210 170566592 /nfs/dbraw/zinc/56/65/92/170566592.db2.gz GPKTWDUJNDBHDW-UHFFFAOYSA-N 0 0 242.278 2.314 10 30 BEEERN CCOc1ccc2ccnc(C#N)c2c1N ZINC000039099968 170569973 /nfs/dbraw/zinc/56/99/73/170569973.db2.gz XURNJZRUIMYXBY-UHFFFAOYSA-N 0 0 213.240 2.087 10 30 BEEERN CCSCc1ccc(/C(N)=N/O)cc1F ZINC000019870308 170644302 /nfs/dbraw/zinc/64/43/02/170644302.db2.gz JLGHBWGDKPSFDM-UHFFFAOYSA-N 0 0 228.292 2.173 10 30 BEEERN CC[C@@H](C)c1noc(-c2ccc(C#N)[nH]2)n1 ZINC000230995744 170807964 /nfs/dbraw/zinc/80/79/64/170807964.db2.gz IZTMTPLWXJSQAY-SSDOTTSWSA-N 0 0 216.244 2.450 10 30 BEEERN CC[C@@H]1CN([C@@H]2CCCC[C@@H]2C#N)CCO1 ZINC000036769782 171093702 /nfs/dbraw/zinc/09/37/02/171093702.db2.gz YXSNCPDOVIQART-JHJVBQTASA-N 0 0 222.332 2.180 10 30 BEEERN CC[C@@H]1C[C@@H]1Nc1ccc(C)c(C#N)n1 ZINC000302650009 171125036 /nfs/dbraw/zinc/12/50/36/171125036.db2.gz MXWYJFRGUUFCKC-ZJUUUORDSA-N 0 0 201.273 2.472 10 30 BEEERN CC[C@H](C#N)Oc1cc(OC)cc(OC)c1 ZINC000068844618 171219573 /nfs/dbraw/zinc/21/95/73/171219573.db2.gz YZRJSNLOJXRUFH-SECBINFHSA-N 0 0 221.256 2.385 10 30 BEEERN CC[C@H](C)C(=O)Nc1cc(C#CCO)ccc1C ZINC000037549305 171254705 /nfs/dbraw/zinc/25/47/05/171254705.db2.gz JWLSHKBZIKAMRJ-NSHDSACASA-N 0 0 245.322 2.323 10 30 BEEERN CC[C@H](C)COc1ccc(C/C(N)=N/O)cc1 ZINC000050424897 171291437 /nfs/dbraw/zinc/29/14/37/171291437.db2.gz LQNKTKVOCMVNFS-JTQLQIEISA-N 0 0 236.315 2.400 10 30 BEEERN CC[C@H](C)OCc1ccc(F)cc1C#CCO ZINC000049622035 171355548 /nfs/dbraw/zinc/35/55/48/171355548.db2.gz OGNMSASFWLYBKB-NSHDSACASA-N 0 0 236.286 2.485 10 30 BEEERN CC[C@H](C)Sc1ccc(/C(N)=N/O)cn1 ZINC000019870271 171357203 /nfs/dbraw/zinc/35/72/03/171357203.db2.gz MNYIYIUXXNKJOX-ZETCQYMHSA-N 0 0 225.317 2.067 10 30 BEEERN CC[C@H](Nc1cnc(C#N)cn1)c1ccncc1 ZINC000125416930 171552013 /nfs/dbraw/zinc/55/20/13/171552013.db2.gz BQTXDFBVIZRLLY-LBPRGKRZSA-N 0 0 239.282 2.306 10 30 BEEERN CCc1nnc(COc2ccc(CC#N)cc2)o1 ZINC000020253702 172055187 /nfs/dbraw/zinc/05/51/87/172055187.db2.gz PZXIDJBEIPFHJG-UHFFFAOYSA-N 0 0 243.266 2.277 10 30 BEEERN CN(C(=O)CC#N)c1ccccc1Cl ZINC000077302386 172300707 /nfs/dbraw/zinc/30/07/07/172300707.db2.gz UKSIFVBCAIMDBY-UHFFFAOYSA-N 0 0 208.648 2.216 10 30 BEEERN CN(C)[C@](C)(C#N)Cc1ccccc1F ZINC000041214724 172542792 /nfs/dbraw/zinc/54/27/92/172542792.db2.gz LEDNMIMSYAEKEK-LBPRGKRZSA-N 0 0 206.264 2.212 10 30 BEEERN CN(CCC#N)c1ccc(N)c2cnccc21 ZINC000035332403 172666491 /nfs/dbraw/zinc/66/64/91/172666491.db2.gz RRNMOLDUXYDAKB-UHFFFAOYSA-N 0 0 226.283 2.167 10 30 BEEERN CN(Cc1cscn1)c1ccc(N)cc1C#N ZINC000042860474 172923937 /nfs/dbraw/zinc/92/39/37/172923937.db2.gz BFSQALBHEKOLJU-UHFFFAOYSA-N 0 0 244.323 2.233 10 30 BEEERN CN(O)C(=O)c1ccc2ccccc2c1 ZINC000005298885 172940736 /nfs/dbraw/zinc/94/07/36/172940736.db2.gz IHIIUMORRNMLHA-UHFFFAOYSA-N 0 0 201.225 2.301 10 30 BEEERN CN(c1nccs1)c1ccc(/C(N)=N/O)cc1 ZINC000061950943 172945862 /nfs/dbraw/zinc/94/58/62/172945862.db2.gz UQUQPPKFQIURIU-UHFFFAOYSA-N 0 0 248.311 2.006 10 30 BEEERN CN[C@@H](C#N)c1ccc(Br)cc1F ZINC000036670332 173411069 /nfs/dbraw/zinc/41/10/69/173411069.db2.gz FMCHPOBQMSJFGY-VIFPVBQESA-N 0 0 243.079 2.372 10 30 BEEERN COC(=O)CCCNc1ccc(F)c(C#N)c1 ZINC000051636603 173543826 /nfs/dbraw/zinc/54/38/26/173543826.db2.gz ANRLDEGUAJPWCW-UHFFFAOYSA-N 0 0 236.246 2.062 10 30 BEEERN COCC(C)(C)NC(=O)c1ccc(C#N)cc1C ZINC000119572440 174080847 /nfs/dbraw/zinc/08/08/47/174080847.db2.gz BTGTZZXYKPSTKF-UHFFFAOYSA-N 0 0 246.310 2.022 10 30 BEEERN COCCN[C@@H](C#N)c1c(C)cc(C)cc1C ZINC000053256398 174336723 /nfs/dbraw/zinc/33/67/23/174336723.db2.gz AXLNVPJCOYMNJH-ZDUSSCGKSA-N 0 0 232.327 2.413 10 30 BEEERN COCCN[C@@H](C#N)c1cccc(OC(C)C)c1 ZINC000020176794 174337418 /nfs/dbraw/zinc/33/74/18/174337418.db2.gz KZJRSZPBNKCRIK-AWEZNQCLSA-N 0 0 248.326 2.274 10 30 BEEERN COC[C@](C)(C#N)Nc1ccc(F)cc1 ZINC000053198714 174614589 /nfs/dbraw/zinc/61/45/89/174614589.db2.gz FYLVCMVRKCMLKD-NSHDSACASA-N 0 0 208.236 2.166 10 30 BEEERN COc1cc(CC#N)c(OC)c(OC)c1C ZINC000021996618 174976381 /nfs/dbraw/zinc/97/63/81/174976381.db2.gz UAOUSHJWTYOVQM-UHFFFAOYSA-N 0 0 221.256 2.087 10 30 BEEERN COc1ccc(-c2cc(C#N)c(=O)[nH]c2C)cc1 ZINC000039627652 175030693 /nfs/dbraw/zinc/03/06/93/175030693.db2.gz RHIYBCQHCZZWDU-UHFFFAOYSA-N 0 0 240.262 2.231 10 30 BEEERN COc1ccc(C(=O)[C@H](C)CC#N)cc1 ZINC000033426640 175066132 /nfs/dbraw/zinc/06/61/32/175066132.db2.gz DJKYCQKSSQQOGI-SECBINFHSA-N 0 0 203.241 2.428 10 30 BEEERN COc1ccc(C(=O)[C@H](C)CC#N)c(OC)c1 ZINC000048259078 175066238 /nfs/dbraw/zinc/06/62/38/175066238.db2.gz ZNTZJESSIVJACY-SECBINFHSA-N 0 0 233.267 2.436 10 30 BEEERN COc1ccc(C)cc1[C@@H](C#N)C(C)=O ZINC000036930961 175079353 /nfs/dbraw/zinc/07/93/53/175079353.db2.gz VGCIYEDXPIZKBP-NSHDSACASA-N 0 0 203.241 2.200 10 30 BEEERN COc1ccc(Cl)cc1-c1nc(CC#N)no1 ZINC000073641445 175119615 /nfs/dbraw/zinc/11/96/15/175119615.db2.gz QKIAQPJPQJCYOA-UHFFFAOYSA-N 0 0 249.657 2.465 10 30 BEEERN COc1ccc(N(C)C[C@H](C)C#N)c([N+](=O)[O-])c1 ZINC000042251849 175136323 /nfs/dbraw/zinc/13/63/23/175136323.db2.gz MMNBNQXWFYDWFG-SECBINFHSA-N 0 0 249.270 2.199 10 30 BEEERN COc1ccc(NC[C@@H](C)C#N)cc1OC ZINC000032013636 175151687 /nfs/dbraw/zinc/15/16/87/175151687.db2.gz DWRUMQOUNAFFHX-VIFPVBQESA-N 0 0 220.272 2.275 10 30 BEEERN COc1ccc(OC)c(N[C@H](C)CC#N)c1 ZINC000032013627 175167057 /nfs/dbraw/zinc/16/70/57/175167057.db2.gz QQOVOYNQUKQPOF-SECBINFHSA-N 0 0 220.272 2.418 10 30 BEEERN COc1ccc2c(c1)c(CC#N)cn2C ZINC000039149140 175217960 /nfs/dbraw/zinc/21/79/60/175217960.db2.gz PZPFLMOOTACHJO-UHFFFAOYSA-N 0 0 200.241 2.253 10 30 BEEERN COc1cccc(-c2cc(C#N)c(=O)[nH]c2C)c1 ZINC000039627655 175233243 /nfs/dbraw/zinc/23/32/43/175233243.db2.gz HLHMGCZBOVLBBU-UHFFFAOYSA-N 0 0 240.262 2.231 10 30 BEEERN COc1cccc(C(=O)N(CC#N)C(C)C)c1 ZINC000057520304 175243778 /nfs/dbraw/zinc/24/37/78/175243778.db2.gz CBWMZPPCXUQUQK-UHFFFAOYSA-N 0 0 232.283 2.069 10 30 BEEERN COc1cccc(C(=O)[C@@H](C)CC#N)c1OC ZINC000033426654 175247354 /nfs/dbraw/zinc/24/73/54/175247354.db2.gz YKAKFBXFDLBGNI-VIFPVBQESA-N 0 0 233.267 2.436 10 30 BEEERN COc1cccc(CCN[C@@H](C#N)C(C)C)c1 ZINC000057520980 175252965 /nfs/dbraw/zinc/25/29/65/175252965.db2.gz MATRFBRCNGCDJT-AWEZNQCLSA-N 0 0 232.327 2.375 10 30 BEEERN COc1cccc(N(C)C[C@H](C)C#N)c1 ZINC000049812933 175274974 /nfs/dbraw/zinc/27/49/74/175274974.db2.gz QYZLOOJHQNEUGI-SNVBAGLBSA-N 0 0 204.273 2.291 10 30 BEEERN COc1cccc(N[C@H](C#N)[C@H]2CCOC2)c1 ZINC000037937736 175280074 /nfs/dbraw/zinc/28/00/74/175280074.db2.gz ZDQLHAISFUOKGV-GXFFZTMASA-N 0 0 232.283 2.036 10 30 BEEERN COc1ccccc1N(C)C[C@@H](C)C#N ZINC000049812930 175335921 /nfs/dbraw/zinc/33/59/21/175335921.db2.gz CQPDLRGRACWXOB-JTQLQIEISA-N 0 0 204.273 2.291 10 30 BEEERN COc1ccccc1NC1(C#N)CCOCC1 ZINC000037938787 175337100 /nfs/dbraw/zinc/33/71/00/175337100.db2.gz WJJHPCKZQKNZFW-UHFFFAOYSA-N 0 0 232.283 2.180 10 30 BEEERN COc1ccccc1[C@@H](C#N)N1CCCC1 ZINC000019934284 175343803 /nfs/dbraw/zinc/34/38/03/175343803.db2.gz GVVFSPNKFPHJIR-GFCCVEGCSA-N 0 0 216.284 2.356 10 30 BEEERN CS[C@H](C)CNC(=O)c1ccc(C#N)cc1C ZINC000131277414 175562548 /nfs/dbraw/zinc/56/25/48/175562548.db2.gz GDKPHCYPSLKSRX-SNVBAGLBSA-N 0 0 248.351 2.348 10 30 BEEERN C[C@@H](C#N)CN(C)c1ccc2cc(N)ccc2n1 ZINC000042455201 175596406 /nfs/dbraw/zinc/59/64/06/175596406.db2.gz USDHFYKGGKBUTJ-JTQLQIEISA-N 0 0 240.310 2.413 10 30 BEEERN C[C@@H](CC#N)Nc1ccc(N(C)C)cc1 ZINC000037871501 175639393 /nfs/dbraw/zinc/63/93/93/175639393.db2.gz WGOZPLOFZGKUMI-JTQLQIEISA-N 0 0 203.289 2.467 10 30 BEEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC(C)(C)C ZINC000015800971 176005579 /nfs/dbraw/zinc/00/55/79/176005579.db2.gz HMUXBCMAMYBDQM-SNVBAGLBSA-N 0 0 246.310 2.240 10 30 BEEERN C[C@@H](C#N)CN(C)[C@@H](C)c1ccc(N)cc1 ZINC000042454891 176015711 /nfs/dbraw/zinc/01/57/11/176015711.db2.gz OMRSAFXQJUYYTJ-QWRGUYRKSA-N 0 0 217.316 2.421 10 30 BEEERN C[C@@H](c1ccccc1)[C@H](C#N)NC1CC1 ZINC000041046398 176022847 /nfs/dbraw/zinc/02/28/47/176022847.db2.gz PNPOCFZHPJDMMM-GWCFXTLKSA-N 0 0 200.285 2.434 10 30 BEEERN C[C@@H]1CCCC[C@H]1Oc1cc(/C(N)=N/O)ccn1 ZINC000019425957 176090311 /nfs/dbraw/zinc/09/03/11/176090311.db2.gz JBCIVTIGXDOQHE-MWLCHTKSSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@@H]1CCCC[C@H]1Oc1ccc(/C(N)=N/O)cn1 ZINC000019427345 176090329 /nfs/dbraw/zinc/09/03/29/176090329.db2.gz QVPKNDCBQIICTN-MWLCHTKSSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@@H]1CCCN1c1ccc(C#N)cc1N ZINC000037910171 176111874 /nfs/dbraw/zinc/11/18/74/176111874.db2.gz SBQCLPKZRJLCCI-SECBINFHSA-N 0 0 201.273 2.129 10 30 BEEERN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C=O ZINC000224534208 176252698 /nfs/dbraw/zinc/25/26/98/176252698.db2.gz PLVBIBPBUCVLHC-NXEZZACHSA-N 0 0 227.304 2.078 10 30 BEEERN C[C@@H]1Cc2ccccc2N1C[C@]1(C=O)CCOC1 ZINC000051175837 176451635 /nfs/dbraw/zinc/45/16/35/176451635.db2.gz YZEYMINXZLESQA-DOMZBBRYSA-N 0 0 245.322 2.043 10 30 BEEERN C[C@H](CC(=O)NC[C@H](C)C#N)C(C)(C)C ZINC000066737991 176552955 /nfs/dbraw/zinc/55/29/55/176552955.db2.gz WOTJJUKZKFTIJQ-NXEZZACHSA-N 0 0 210.321 2.335 10 30 BEEERN C[C@H](C#N)Nc1ccc2c(c1)OCCCO2 ZINC000043514136 176555479 /nfs/dbraw/zinc/55/54/79/176555479.db2.gz YBFYTRDDRZSDRY-SECBINFHSA-N 0 0 218.256 2.172 10 30 BEEERN C[C@H](Nc1ccc(N)cc1C#N)C1CC1 ZINC000041020877 176933552 /nfs/dbraw/zinc/93/35/52/176933552.db2.gz URFYHLZNLRVTQJ-QMMMGPOBSA-N 0 0 201.273 2.351 10 30 BEEERN C[C@H](O)C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000124076722 177002300 /nfs/dbraw/zinc/00/23/00/177002300.db2.gz VHTRFYNUVZSXBU-GOEBONIOSA-N 0 0 243.350 2.273 10 30 BEEERN C[C@H]1CCCC[C@@H]1Oc1cc(/C(N)=N/O)ccn1 ZINC000019425955 177084619 /nfs/dbraw/zinc/08/46/19/177084619.db2.gz JBCIVTIGXDOQHE-ONGXEEELSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@H]1CCCC[C@H]1Oc1ccc(/C(N)=N/O)cn1 ZINC000019427347 177090597 /nfs/dbraw/zinc/09/05/97/177090597.db2.gz QVPKNDCBQIICTN-GXSJLCMTSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@@H]1CN([C@@H]2CCCC[C@@H]2C#N)C[C@H](C)O1 ZINC000037145768 177274983 /nfs/dbraw/zinc/27/49/83/177274983.db2.gz VINLMENBQALKNN-YVECIDJPSA-N 0 0 222.332 2.178 10 30 BEEERN C[C@@H]1COC[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000120776376 177297857 /nfs/dbraw/zinc/29/78/57/177297857.db2.gz XKZVNIURFIMJKD-PHIMTYICSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@H]1COC[C@H](C)N1Cc1cc(F)ccc1C#N ZINC000160572964 177300531 /nfs/dbraw/zinc/30/05/31/177300531.db2.gz NEDOQEJAHVOYKY-QWRGUYRKSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000077498193 177348262 /nfs/dbraw/zinc/34/82/62/177348262.db2.gz BQTBUGSUAOABFZ-CPCISQLKSA-N 0 0 233.246 2.227 10 30 BEEERN C[C@H]1C[C@H]1CN(C)C(=O)Cc1ccc(C#N)cc1 ZINC000104410749 177378288 /nfs/dbraw/zinc/37/82/88/177378288.db2.gz LYIHHPGCYTVSRP-FZMZJTMJSA-N 0 0 242.322 2.215 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1ccc(F)cc1C#N ZINC000134402678 177403391 /nfs/dbraw/zinc/40/33/91/177403391.db2.gz FXWQSVKPFITMBW-KCJUWKMLSA-N 0 0 220.247 2.287 10 30 BEEERN C[C@]1(O)CC(=O)C=C(c2cccc([N+](=O)[O-])c2)C1 ZINC000040174916 177471255 /nfs/dbraw/zinc/47/12/55/177471255.db2.gz SYTFHZIATWORIQ-CYBMUJFWSA-N 0 0 247.250 2.092 10 30 BEEERN Cc1c(N)cccc1OCc1cccnc1C#N ZINC000061656316 177615232 /nfs/dbraw/zinc/61/52/32/177615232.db2.gz FNIRINQDFHSAFB-UHFFFAOYSA-N 0 0 239.278 2.423 10 30 BEEERN Cc1ccc([C@@H](C)Nc2cncc(C#N)n2)o1 ZINC000401231233 226354080 /nfs/dbraw/zinc/35/40/80/226354080.db2.gz NPMWQJSRAIGVGG-SECBINFHSA-N 0 0 228.255 2.423 10 30 BEEERN C[C@H]1SCC[C@@]1(O)c1ccccc1C#N ZINC000521400544 262779157 /nfs/dbraw/zinc/77/91/57/262779157.db2.gz AHDNYRPVQHLIIC-SKDRFNHKSA-N 0 0 219.309 2.271 10 30 BEEERN C[C@H]1CC[C@H](O)CN1Cc1ccc(F)cc1C#N ZINC000399291444 267223647 /nfs/dbraw/zinc/22/36/47/267223647.db2.gz MNIHGPIGTLUADZ-HZMBPMFUSA-N 0 0 248.301 2.043 10 30 BEEERN N#C[C@H](N)CSCc1ccc(Cl)o1 ZINC000757168529 586432659 /nfs/dbraw/zinc/43/26/59/586432659.db2.gz ASNGMYPMMUIFSK-LURJTMIESA-N 0 0 216.693 2.017 10 30 BEEERN CCN(C(=O)[C@@H](C)COC)c1ccc(C#N)cc1 ZINC000151864278 323031150 /nfs/dbraw/zinc/03/11/50/323031150.db2.gz BDIANQFVRLIQJZ-NSHDSACASA-N 0 0 246.310 2.194 10 30 BEEERN C=C1COc2cc(-c3ccccc3)nn2C1 ZINC000536553505 323898400 /nfs/dbraw/zinc/89/84/00/323898400.db2.gz TURZJDRTEXGDRL-UHFFFAOYSA-N 0 0 212.252 2.499 10 30 BEEERN C=CCN(C)Cc1csc(N(C)C2CC2)n1 ZINC000121494944 324014478 /nfs/dbraw/zinc/01/44/78/324014478.db2.gz YQQNYLYJFDSKNQ-UHFFFAOYSA-N 0 0 237.372 2.360 10 30 BEEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(C)=O ZINC000062888462 324606674 /nfs/dbraw/zinc/60/66/74/324606674.db2.gz OECYGMWYSIKAKR-UHFFFAOYSA-N 0 0 234.255 2.129 10 30 BEEERN C=CCCCN(C)Cc1nsc(N(C)C)n1 ZINC000126065361 324678438 /nfs/dbraw/zinc/67/84/38/324678438.db2.gz GBSQEQOSDLPUNC-UHFFFAOYSA-N 0 0 240.376 2.002 10 30 BEEERN C=CCCSc1nnnn1-c1ccccc1 ZINC000128580293 324856121 /nfs/dbraw/zinc/85/61/21/324856121.db2.gz JGDNJFRZNUTGDK-UHFFFAOYSA-N 0 0 232.312 2.331 10 30 BEEERN CC(C)[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000134964458 325384768 /nfs/dbraw/zinc/38/47/68/325384768.db2.gz FVSGVABJRJPPQN-LBPRGKRZSA-N 0 0 243.310 2.071 10 30 BEEERN CC(C)[C@@H]1CCN(C(=O)C2(C#N)CC(C)C2)C1 ZINC000135016651 325388951 /nfs/dbraw/zinc/38/89/51/325388951.db2.gz OGGLQNMGMCDDOU-MBHSVXNSSA-N 0 0 234.343 2.431 10 30 BEEERN CC(C)[C@H]1CCN(C(=O)C2(C#N)CC(C)C2)C1 ZINC000135016630 325388980 /nfs/dbraw/zinc/38/89/80/325388980.db2.gz OGGLQNMGMCDDOU-LXVYMNJGSA-N 0 0 234.343 2.431 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2C#N)O1 ZINC000135185955 325399774 /nfs/dbraw/zinc/39/97/74/325399774.db2.gz PFPJDXYCGIDAPK-UFBFGSQYSA-N 0 0 248.257 2.203 10 30 BEEERN C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC000245654907 325520321 /nfs/dbraw/zinc/52/03/21/325520321.db2.gz DDNLPYKQKSCAKR-NRUUGDAUSA-N 0 0 245.326 2.441 10 30 BEEERN C#C[C@](CCC)(OC(C)=O)C1(C#N)CCC1 ZINC000584600251 488018210 /nfs/dbraw/zinc/01/82/10/488018210.db2.gz DDWMAEGYCVEHPR-CYBMUJFWSA-N 0 0 219.284 2.415 10 30 BEEERN C#C[C@@](CCC)(OC(C)=O)C1(C#N)CCC1 ZINC000584600253 488018345 /nfs/dbraw/zinc/01/83/45/488018345.db2.gz DDWMAEGYCVEHPR-ZDUSSCGKSA-N 0 0 219.284 2.415 10 30 BEEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(C)o1 ZINC000061889169 488065921 /nfs/dbraw/zinc/06/59/21/488065921.db2.gz WYPRIQMBWUNPQW-CMPLNLGQSA-N 0 0 232.283 2.319 10 30 BEEERN CSc1nc(NC2(C)CC2)ncc1C#N ZINC000145945438 488074816 /nfs/dbraw/zinc/07/48/16/488074816.db2.gz ZGHDGZBLAXCCTJ-UHFFFAOYSA-N 0 0 220.301 2.035 10 30 BEEERN C=C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000382576298 487546913 /nfs/dbraw/zinc/54/69/13/487546913.db2.gz FPHWPSMHDSVWIF-ZSBIGDGJSA-N 0 0 205.301 2.211 10 30 BEEERN Cc1nc(CNc2nccnc2C#N)c(C)s1 ZINC000301841030 488026096 /nfs/dbraw/zinc/02/60/96/488026096.db2.gz PFZQFUMTTKNZPK-UHFFFAOYSA-N 0 0 245.311 2.034 10 30 BEEERN C#CCCCn1cc(C(=O)C(F)(F)F)cn1 ZINC000585142920 490343659 /nfs/dbraw/zinc/34/36/59/490343659.db2.gz JFRLHOLDTMMHCF-UHFFFAOYSA-N 0 0 230.189 2.042 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1cn2ccccc2n1 ZINC000088627220 491075910 /nfs/dbraw/zinc/07/59/10/491075910.db2.gz XZQDLEJFTYMWQW-WCQYABFASA-N 0 0 240.310 2.116 10 30 BEEERN C=C[C@@H](C)NC(=S)N[C@@H](C)C(C)C ZINC000757134195 582510246 /nfs/dbraw/zinc/51/02/46/582510246.db2.gz LMJQFLLVQJTPIH-BDAKNGLRSA-N 0 0 200.351 2.070 10 30 BEEERN C=CC[C@@H](CO)Nc1ncccc1C(F)(F)F ZINC000302147094 534319784 /nfs/dbraw/zinc/31/97/84/534319784.db2.gz RRLKGAHGBPVQFQ-QMMMGPOBSA-N 0 0 246.232 2.449 10 30 BEEERN C=CCOCn1nc(C)c(Br)c1C ZINC000062701677 518996819 /nfs/dbraw/zinc/99/68/19/518996819.db2.gz UBDHWROYPQSQTR-UHFFFAOYSA-N 0 0 245.120 2.423 10 30 BEEERN C=C(Cl)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000248818425 534442233 /nfs/dbraw/zinc/44/22/33/534442233.db2.gz IVMGXPZBCWBTMK-GARJFASQSA-N 0 0 243.734 2.012 10 30 BEEERN C=CCCCC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178679921 534667563 /nfs/dbraw/zinc/66/75/63/534667563.db2.gz GXIOSZGYROQDFE-DZGCQCFKSA-N 0 0 245.322 2.117 10 30 BEEERN COc1ccc(C2(C#N)CCC(O)CC2)cc1 ZINC000084512635 523864787 /nfs/dbraw/zinc/86/47/87/523864787.db2.gz ZHCBDDSHLAFSNP-UHFFFAOYSA-N 0 0 231.295 2.391 10 30 BEEERN CN(C)/C=C\C(=O)c1c(F)cccc1F ZINC000012339955 523968132 /nfs/dbraw/zinc/96/81/32/523968132.db2.gz ROSHJWFSGZURNS-SREVYHEPSA-N 0 0 211.211 2.223 10 30 BEEERN N#Cc1ccc(CC=O)cc1Br ZINC000144436920 526606079 /nfs/dbraw/zinc/60/60/79/526606079.db2.gz UQVPDEBYQGXQSR-UHFFFAOYSA-N 0 0 224.057 2.062 10 30 BEEERN CC(C)(C#N)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000336005882 534999105 /nfs/dbraw/zinc/99/91/05/534999105.db2.gz KRHFVBPVJOPWTP-NWDGAFQWSA-N 0 0 234.343 2.322 10 30 BEEERN CC(C)CNc1cnn(-c2ncccc2C#N)c1 ZINC000185848653 535171716 /nfs/dbraw/zinc/17/17/16/535171716.db2.gz AEBUDABXSKLRLS-UHFFFAOYSA-N 0 0 241.298 2.207 10 30 BEEERN CCOCC1CCN(c2cccc(C#N)n2)CC1 ZINC000301279714 535444483 /nfs/dbraw/zinc/44/44/83/535444483.db2.gz NNMGWGREWDNJHU-UHFFFAOYSA-N 0 0 245.326 2.206 10 30 BEEERN CC[C@H]1CO[C@H](C)CN1c1ccc(C#N)cc1N ZINC000036131919 536171585 /nfs/dbraw/zinc/17/15/85/536171585.db2.gz MQLYKBJPDLAOJR-PWSUYJOCSA-N 0 0 245.326 2.144 10 30 BEEERN CO[C@@H](c1noc(CCCC#N)n1)C1CC1 ZINC000234769116 536571548 /nfs/dbraw/zinc/57/15/48/536571548.db2.gz KALOHYOLDQFAMF-SNVBAGLBSA-N 0 0 221.260 2.013 10 30 BEEERN COC1(CNC(=O)[C@@H]2CCCC(=O)N2)CCC1 ZINC000329347229 536593159 /nfs/dbraw/zinc/59/31/59/536593159.db2.gz RRUUUQQZFYCHTJ-VIFPVBQESA-N 0 0 240.303 2.021 10 30 BEEERN CC[C@]1(c2cccc(F)c2)O[C@H]1C(=O)OC ZINC000164144558 566463968 /nfs/dbraw/zinc/46/39/68/566463968.db2.gz TZWMGYIVFSPFCH-CMPLNLGQSA-N 0 0 224.231 2.003 10 30 BEEERN C=C(C)[C@@H]1Cc2cc(C(C)=O)c(O)cc2O1 ZINC000005853713 560109782 /nfs/dbraw/zinc/10/97/82/560109782.db2.gz FHJSLVLVJPGFRY-LBPRGKRZSA-N 0 0 218.252 2.474 10 30 biogenic BEEERN CC(=O)C1CCN(CC#Cc2ccccc2)CC1 ZINC000111690525 588767387 /nfs/dbraw/zinc/76/73/87/588767387.db2.gz OSOZSJJCRJQSPO-UHFFFAOYSA-N 0 0 241.334 2.339 10 30 BEEERN C#CCCOC(=O)[C@H](C)Cc1ccccc1 ZINC000112149230 588783364 /nfs/dbraw/zinc/78/33/64/588783364.db2.gz VUMBQTWVUSTJMI-GFCCVEGCSA-N 0 0 216.280 2.432 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@]1(C)c1ccc(F)cc1 ZINC000234590119 582460375 /nfs/dbraw/zinc/46/03/75/582460375.db2.gz YPKVMILOBVLVGI-GHMZBOCLSA-N 0 0 244.649 2.179 10 30 BEEERN C=C[C@@H](C)NC(=S)Nc1cccc(O)c1 ZINC000757133077 582509078 /nfs/dbraw/zinc/50/90/78/582509078.db2.gz FZEVZFDMEUWZQD-MRVPVSSYSA-N 0 0 222.313 2.253 10 30 BEEERN C=C[C@H](C)NC(=S)NCCC(C)C ZINC000757135550 582514543 /nfs/dbraw/zinc/51/45/43/582514543.db2.gz UOLCMSCOPYRNSA-VIFPVBQESA-N 0 0 200.351 2.071 10 30 BEEERN Cc1cc(C[C@H](C#N)CO)ccc1Cl ZINC000757147561 582531839 /nfs/dbraw/zinc/53/18/39/582531839.db2.gz CNVYIEAWEQDNAD-SNVBAGLBSA-N 0 0 209.676 2.323 10 30 BEEERN O=C1Nc2ccc(Br)cc2[C@@H]1S ZINC000757163468 582544955 /nfs/dbraw/zinc/54/49/55/582544955.db2.gz PZDXJDGKXPOMPF-ZETCQYMHSA-N 0 0 244.113 2.372 10 30 BEEERN C#CC[NH2+]CCSCc1occc1C ZINC000757163921 582545677 /nfs/dbraw/zinc/54/56/77/582545677.db2.gz FQUIXANNWUCIOX-UHFFFAOYSA-N 0 0 209.314 2.044 10 30 BEEERN CCc1ccc(CS[C@@H](C)[C@@H](N)C#N)o1 ZINC000757163956 582546173 /nfs/dbraw/zinc/54/61/73/582546173.db2.gz FYSOKNMDDOIWQK-KWQFWETISA-N 0 0 224.329 2.315 10 30 BEEERN C#CC[C@@H](OC(=O)C1CC1)c1ccccn1 ZINC000113662823 588848077 /nfs/dbraw/zinc/84/80/77/588848077.db2.gz QNIJTVOGCMTEOB-GFCCVEGCSA-N 0 0 215.252 2.099 10 30 BEEERN C=C(C)COC(=O)[C@@]12CCC[C@]1(OC)OCC2 ZINC000203884733 583208802 /nfs/dbraw/zinc/20/88/02/583208802.db2.gz KQACZOPDDXJRRW-STQMWFEESA-N 0 0 240.299 2.039 10 30 BEEERN COC(=O)CC1([C@H]2CO2)CCCCCC1 ZINC000675052193 583300735 /nfs/dbraw/zinc/30/07/35/583300735.db2.gz AJXREHQAPIFUAU-SNVBAGLBSA-N 0 0 212.289 2.289 10 30 BEEERN C#CCNC(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000115642749 588912117 /nfs/dbraw/zinc/91/21/17/588912117.db2.gz LGWBHFSWUWYLHM-VXGBXAGGSA-N 0 0 222.332 2.135 10 30 BEEERN C#CCOC(=O)C(C)(C)c1cccs1 ZINC000115733248 588924781 /nfs/dbraw/zinc/92/47/81/588924781.db2.gz UCVHIARSNIJWPA-UHFFFAOYSA-N 0 0 208.282 2.202 10 30 BEEERN CS[C@H](C)C(=O)OCC#Cc1ccccc1 ZINC000103336149 585096485 /nfs/dbraw/zinc/09/64/85/585096485.db2.gz FWWVYOWRNOKZBJ-LLVKDONJSA-N 0 0 234.320 2.333 10 30 BEEERN CS[C@@H](C)C(=O)[C@H](C#N)c1ccccn1 ZINC000103329892 585097994 /nfs/dbraw/zinc/09/79/94/585097994.db2.gz BXTVIKAJLFVVOL-DTWKUNHWSA-N 0 0 220.297 2.009 10 30 BEEERN C=CCCCN(C)C(=O)c1ccc(Cl)nn1 ZINC000220240631 585172561 /nfs/dbraw/zinc/17/25/61/585172561.db2.gz LBYBNSPVPKXBCQ-UHFFFAOYSA-N 0 0 239.706 2.168 10 30 BEEERN CCCCO[C@@H](C)C(=O)[C@@H](C#N)c1ccccn1 ZINC000103638048 586171819 /nfs/dbraw/zinc/17/18/19/586171819.db2.gz WXULZUOKIMJQCU-RYUDHWBXSA-N 0 0 246.310 2.463 10 30 BEEERN C=CCCOC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000103649629 586261025 /nfs/dbraw/zinc/26/10/25/586261025.db2.gz IJRPEUSEHOTPPM-LLVKDONJSA-N 0 0 245.278 2.445 10 30 BEEERN CCO[C@H](C)C(=O)OCC#Cc1ccccc1 ZINC000103651307 586265828 /nfs/dbraw/zinc/26/58/28/586265828.db2.gz XABFRJVCJMBXLV-GFCCVEGCSA-N 0 0 232.279 2.006 10 30 BEEERN C#C[C@H](C)OC(=O)CCO[C@@H](C)CC(C)C ZINC000121582662 588243199 /nfs/dbraw/zinc/24/31/99/588243199.db2.gz RGIMIBOGFRAGKQ-RYUDHWBXSA-N 0 0 226.316 2.393 10 30 BEEERN C#CCOc1ccccc1[C@H](C)OC(C)=O ZINC000107059565 588326793 /nfs/dbraw/zinc/32/67/93/588326793.db2.gz WFGIKIYAMQEQOT-JTQLQIEISA-N 0 0 218.252 2.323 10 30 BEEERN C#CCOCCC(=O)O[C@H](C)CCCC ZINC000119002835 589230197 /nfs/dbraw/zinc/23/01/97/589230197.db2.gz FNSPFPXNACDHDK-LLVKDONJSA-N 0 0 212.289 2.148 10 30 BEEERN C#CCOCCC(=O)O[C@H](CC)CCC ZINC000119015637 589231045 /nfs/dbraw/zinc/23/10/45/589231045.db2.gz BEOXUDBRGGCHHX-LLVKDONJSA-N 0 0 212.289 2.148 10 30 BEEERN CCCCC(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000119433038 589283693 /nfs/dbraw/zinc/28/36/93/589283693.db2.gz KCDGTGKQPLBPII-CYBMUJFWSA-N 0 0 239.359 2.454 10 30 BEEERN CCc1cc(Br)cc(C#N)n1 ZINC000204076909 589302909 /nfs/dbraw/zinc/30/29/09/589302909.db2.gz XKYAMWZZIVNHCO-UHFFFAOYSA-N 0 0 211.062 2.278 10 30 BEEERN C#CC[C@H](OC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC000122093693 589554068 /nfs/dbraw/zinc/55/40/68/589554068.db2.gz SDTGGWGFAYOJQY-STQMWFEESA-N 0 0 236.311 2.291 10 30 BEEERN C#CC[C@H](OC(=O)C1=CCCC1)C1CC1 ZINC000122171588 589560740 /nfs/dbraw/zinc/56/07/40/589560740.db2.gz MWEOXSYINBDFKL-LBPRGKRZSA-N 0 0 204.269 2.442 10 30 BEEERN C#C[C@H](C)OC(=O)c1cnc(C(C)C)s1 ZINC000124467027 590017036 /nfs/dbraw/zinc/01/70/36/590017036.db2.gz PDAAMYKBPMIPBO-QMMMGPOBSA-N 0 0 223.297 2.445 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)OCc2ccc(C#N)cc2)O1 ZINC000124592746 590060709 /nfs/dbraw/zinc/06/07/09/590060709.db2.gz SLKGIBLHTQKUQM-GWCFXTLKSA-N 0 0 245.278 2.169 10 30 BEEERN C(#Cc1ccccc1)CNCc1ccoc1 ZINC000124924991 590102166 /nfs/dbraw/zinc/10/21/66/590102166.db2.gz SCZDHTHJWOBVEG-UHFFFAOYSA-N 0 0 211.264 2.421 10 30 BEEERN C[C@H](C#N)NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000125757262 590187212 /nfs/dbraw/zinc/18/72/12/590187212.db2.gz PMDYXFSNNLQZIM-RXMQYKEDSA-N 0 0 244.081 2.030 10 30 BEEERN CC#CCOC(=O)c1cc(C)c(CC)o1 ZINC000125918422 590196867 /nfs/dbraw/zinc/19/68/67/590196867.db2.gz RBUNBZOCFQVVBB-UHFFFAOYSA-N 0 0 206.241 2.331 10 30 BEEERN N#CC1(COC(=O)Cc2ccoc2)CCCC1 ZINC000127588419 590716126 /nfs/dbraw/zinc/71/61/26/590716126.db2.gz JWDWGAPYDUCDPA-UHFFFAOYSA-N 0 0 233.267 2.449 10 30 BEEERN CC(C)(C)[C@@H](C#N)OC(=O)Cc1ccoc1 ZINC000127655763 590741791 /nfs/dbraw/zinc/74/17/91/590741791.db2.gz DGIGDADGZIMVSB-SNVBAGLBSA-N 0 0 221.256 2.304 10 30 BEEERN N#Cc1ncccc1OCC(F)(F)C(F)F ZINC000130127091 591440400 /nfs/dbraw/zinc/44/04/00/591440400.db2.gz NOFZCOPMXBQGQV-UHFFFAOYSA-N 0 0 234.152 2.232 10 30 BEEERN CCOCCCC(=O)O[C@@H](C)C(C)(C)C#N ZINC000130460299 591473490 /nfs/dbraw/zinc/47/34/90/591473490.db2.gz AXBFZRAPUKANPB-JTQLQIEISA-N 0 0 227.304 2.285 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NCc1ccoc1 ZINC000130656081 591494804 /nfs/dbraw/zinc/49/48/04/591494804.db2.gz FBIHXLYPZISUGO-VXGBXAGGSA-N 0 0 204.273 2.452 10 30 BEEERN N#Cc1ccnc(OCc2ccccc2)c1N ZINC000214557807 591609402 /nfs/dbraw/zinc/60/94/02/591609402.db2.gz CEJWDBYKBYISSV-UHFFFAOYSA-N 0 0 225.251 2.114 10 30 BEEERN C#CC[C@@H](OC(=O)CCc1ccncc1)C1CC1 ZINC000132630026 591725430 /nfs/dbraw/zinc/72/54/30/591725430.db2.gz QFFCLXBOBZPLKR-CQSZACIVSA-N 0 0 243.306 2.359 10 30 BEEERN C#C[C@@H](OC(=O)CCCCSC)C1CC1 ZINC000134048663 591877959 /nfs/dbraw/zinc/87/79/59/591877959.db2.gz QUEULCQPMMLIKE-LLVKDONJSA-N 0 0 226.341 2.475 10 30 BEEERN C#C[C@H](OC(=O)c1ccc(OC)c(F)c1)C1CC1 ZINC000134081168 591885115 /nfs/dbraw/zinc/88/51/15/591885115.db2.gz CDECNQTXQDGPTI-LBPRGKRZSA-N 0 0 248.253 2.403 10 30 BEEERN C#C[C@@H](OC(=O)c1ccc(OC)c(F)c1)C1CC1 ZINC000134081395 591885683 /nfs/dbraw/zinc/88/56/83/591885683.db2.gz CDECNQTXQDGPTI-GFCCVEGCSA-N 0 0 248.253 2.403 10 30 BEEERN C#C[C@@H](C)OC(=O)[C@@H](C)Sc1ccccn1 ZINC000135200975 591996843 /nfs/dbraw/zinc/99/68/43/591996843.db2.gz JYYFLRQYLYNGGW-NXEZZACHSA-N 0 0 235.308 2.127 10 30 BEEERN CCC[C@@H]1C[C@@H]1Nc1cc(C#N)nc(C)n1 ZINC000308261843 631229512 /nfs/dbraw/zinc/22/95/12/631229512.db2.gz MXXUQIIKDGDFSL-KOLCDFICSA-N 0 0 216.288 2.257 10 30 BEEERN C[C@H](C#N)NC(=O)/C=C\c1ccc(Cl)s1 ZINC000255343870 631303463 /nfs/dbraw/zinc/30/34/63/631303463.db2.gz KTDCOBNJIBQCPQ-YSCPKTQFSA-N 0 0 240.715 2.443 10 30 BEEERN N#C[C@@H](OC(=O)Cc1cccc(F)c1)C1CC1 ZINC000176069228 631550505 /nfs/dbraw/zinc/55/05/05/631550505.db2.gz MVXXUDOUISHWPJ-GFCCVEGCSA-N 0 0 233.242 2.214 10 30 BEEERN C[C@H](NC(=O)C1CCC(=O)CC1)[C@@H]1CCCO1 ZINC000329809790 632557708 /nfs/dbraw/zinc/55/77/08/632557708.db2.gz BGCKPRJSVGPJFW-CABZTGNLSA-N 0 0 239.315 2.270 10 30 BEEERN Cc1cc(C)nc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000310717020 632893654 /nfs/dbraw/zinc/89/36/54/632893654.db2.gz OIVVYJAUAQZFFM-NEPJUHHUSA-N 0 0 243.310 2.121 10 30 BEEERN Cc1cc(C)nc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000310717023 632893982 /nfs/dbraw/zinc/89/39/82/632893982.db2.gz OIVVYJAUAQZFFM-VXGBXAGGSA-N 0 0 243.310 2.121 10 30 BEEERN C#CCCCCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000180789679 633054693 /nfs/dbraw/zinc/05/46/93/633054693.db2.gz IZDZXDNWAHRSGC-NEPJUHHUSA-N 0 0 224.300 2.148 10 30 BEEERN C=CCOCn1ccc2cccc(N)c21 ZINC000707340607 633174751 /nfs/dbraw/zinc/17/47/51/633174751.db2.gz RSAPIZBPVFAOGZ-UHFFFAOYSA-N 0 0 202.257 2.384 10 30 BEEERN C#CCOC(=O)CSc1ccc2c(c1)CCC2 ZINC000060768782 636047049 /nfs/dbraw/zinc/04/70/49/636047049.db2.gz VJBYQVULINZFIF-UHFFFAOYSA-N 0 0 246.331 2.444 10 30 BEEERN Cc1c(Cl)cnc(N[C@@H](C)[C@H](C)O)c1C#N ZINC000309924614 633944851 /nfs/dbraw/zinc/94/48/51/633944851.db2.gz UQXHJAPMSDQDFS-YUMQZZPRSA-N 0 0 239.706 2.096 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(F)nc1 ZINC000309548081 633950933 /nfs/dbraw/zinc/95/09/33/633950933.db2.gz DZAFRBXEGSVYIS-WDEREUQCSA-N 0 0 219.263 2.003 10 30 BEEERN CCCCCCCCOC(=O)[C@@H](C)NC(C)=O ZINC000125990041 635385001 /nfs/dbraw/zinc/38/50/01/635385001.db2.gz KWDZDASMRPUVIO-LLVKDONJSA-N 0 0 243.347 2.415 10 30 BEEERN C#C[C@@H](C)OC(=O)c1ccc(CC)cc1 ZINC000032176613 636336208 /nfs/dbraw/zinc/33/62/08/636336208.db2.gz NUHIVOBFSLBHKA-SNVBAGLBSA-N 0 0 202.253 2.428 10 30 BEEERN C#CCOC(=O)CSCc1cccc(C)c1 ZINC000058834070 640748622 /nfs/dbraw/zinc/74/86/22/640748622.db2.gz GGCPTTLIKZHVEC-UHFFFAOYSA-N 0 0 234.320 2.405 10 30 BEEERN COc1cc2c(cc1F)C=C(C(C)=O)CO2 ZINC000675064406 640962526 /nfs/dbraw/zinc/96/25/26/640962526.db2.gz ZOBTUCSTUZHDTF-UHFFFAOYSA-N 0 0 222.215 2.199 10 30 BEEERN C[C@H]1Cc2c(C#N)c(N)ncc2[C@@H](C)C1 ZINC000675064395 640962960 /nfs/dbraw/zinc/96/29/60/640962960.db2.gz ZISZNXALBBITJY-SFYZADRCSA-N 0 0 201.273 2.221 10 30 BEEERN C=C(Cl)CNC(=O)[C@H]1CCC[C@H]1C ZINC000230166880 641032575 /nfs/dbraw/zinc/03/25/75/641032575.db2.gz SNDRZHVFRZKMNW-APPZFPTMSA-N 0 0 201.697 2.291 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(Cl)n1 ZINC000061890318 641004465 /nfs/dbraw/zinc/00/44/65/641004465.db2.gz QIDKTPCPDFUOAE-RKDXNWHRSA-N 0 0 249.701 2.157 10 30 BEEERN COC1CC(Nc2ccc(F)cc2C#N)C1 ZINC000230598926 641071476 /nfs/dbraw/zinc/07/14/76/641071476.db2.gz RJSNHOLQQBGRSE-UHFFFAOYSA-N 0 0 220.247 2.287 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCC(F)(F)C(F)F ZINC000230693949 641088511 /nfs/dbraw/zinc/08/85/11/641088511.db2.gz XRHXUCGBYUAJEP-BQBZGAKWSA-N 0 0 224.201 2.169 10 30 BEEERN C#Cc1cccc(N(C)C(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000152321853 641557926 /nfs/dbraw/zinc/55/79/26/641557926.db2.gz KSBNKKJLJRYNPF-RISCZKNCSA-N 0 0 243.306 2.198 10 30 BEEERN C#CCCCC(=O)O[C@@H](C)C1CCOCC1 ZINC000191343996 641916516 /nfs/dbraw/zinc/91/65/16/641916516.db2.gz PADOYSMRRVCOGA-NSHDSACASA-N 0 0 224.300 2.148 10 30 BEEERN SCc1ccc(I)o1 ZINC000238724353 642835008 /nfs/dbraw/zinc/83/50/08/642835008.db2.gz OGPGRBMCBVAXMO-UHFFFAOYSA-N 0 0 240.065 2.314 10 30 BEEERN C#C[C@H](OC(=O)NC1CC1)c1ccccc1 ZINC000757193213 643364183 /nfs/dbraw/zinc/36/41/83/643364183.db2.gz ZHZXIDXZZQEKCI-LBPRGKRZSA-N 0 0 215.252 2.250 10 30 BEEERN CC(C)[C@H](C)NC(=O)c1ccccc1OCC#N ZINC000194090916 644299153 /nfs/dbraw/zinc/29/91/53/644299153.db2.gz GIHUGKPBRGAINY-NSHDSACASA-N 0 0 246.310 2.363 10 30 BEEERN C=CCC[C@H](C)OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000089320522 644544378 /nfs/dbraw/zinc/54/43/78/644544378.db2.gz XRHOBOSJCHZRKV-AXFHLTTASA-N 0 0 212.289 2.452 10 30 BEEERN C=CCN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(C)C ZINC000250480039 644759860 /nfs/dbraw/zinc/75/98/60/644759860.db2.gz BVWOUBPXNJHKRH-ZSBIGDGJSA-N 0 0 207.317 2.456 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)OC1CCCC1 ZINC000304503070 644911422 /nfs/dbraw/zinc/91/14/22/644911422.db2.gz CTZNNOBSGHOTSM-MWLCHTKSSA-N 0 0 222.288 2.347 10 30 BEEERN Cc1conc1CN[C@@H]1CCCC[C@H]1C#N ZINC000708434106 712193788 /nfs/dbraw/zinc/19/37/88/712193788.db2.gz OVFINPLMERHING-WDEREUQCSA-N 0 0 219.288 2.155 10 30 BEEERN CC/C=C(/C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000701336519 712021079 /nfs/dbraw/zinc/02/10/79/712021079.db2.gz KGAQJJBVTROKFV-XFDQCWFDSA-N 0 0 206.289 2.151 10 30 BEEERN CCc1nc(C#N)cc(NC2CC(SC)C2)n1 ZINC000708248909 712184644 /nfs/dbraw/zinc/18/46/44/712184644.db2.gz NVSSMMMJEDIINH-UHFFFAOYSA-N 0 0 248.355 2.217 10 30 BEEERN C#CCCNCc1ncc(Br)s1 ZINC000713634059 712467899 /nfs/dbraw/zinc/46/78/99/712467899.db2.gz YPCDZMUGSUSXCC-UHFFFAOYSA-N 0 0 245.145 2.019 10 30 BEEERN COCC1CC(Nc2ccc(C#N)c(C)n2)C1 ZINC000714008945 712477394 /nfs/dbraw/zinc/47/73/94/712477394.db2.gz VGJFXLHHYVGIIH-UHFFFAOYSA-N 0 0 231.299 2.099 10 30 BEEERN C#CC[C@@H](COC)Nc1nccnc1C(C)C ZINC000716397008 712558107 /nfs/dbraw/zinc/55/81/07/712558107.db2.gz AZETVOOYINSAIC-NSHDSACASA-N 0 0 233.315 2.050 10 30 BEEERN Cc1coc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000718133469 712746872 /nfs/dbraw/zinc/74/68/72/712746872.db2.gz UPAZWDHNKVKGSH-JQWIXIFHSA-N 0 0 204.273 2.370 10 30 BEEERN COc1cccc(COC(=O)[C@H](C)CC#N)c1 ZINC000049822742 1165880058 /nfs/dbraw/zinc/88/00/58/1165880058.db2.gz JCXLENPNTMHKJW-SNVBAGLBSA-N 0 0 233.267 2.288 10 30 BEEERN C#CCN(CC)C(=O)c1cc(Cl)ccc1N ZINC000129866256 1167301382 /nfs/dbraw/zinc/30/13/82/1167301382.db2.gz UGBGQUDDIWSYJS-UHFFFAOYSA-N 0 0 236.702 2.018 10 30 BEEERN C=CCCCCC[NH2+]C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715639569 977775817 /nfs/dbraw/zinc/77/58/17/977775817.db2.gz HFLNGSBTDIAOFV-VHSXEESVSA-N 0 0 247.285 2.288 10 30 BEEERN C=C(C)CN(C)C(=O)c1cccc(F)c1N ZINC000219299917 1168813970 /nfs/dbraw/zinc/81/39/70/1168813970.db2.gz JSUFDLLGIMWTJU-UHFFFAOYSA-N 0 0 222.263 2.056 10 30 BEEERN C#C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000692337020 954696429 /nfs/dbraw/zinc/69/64/29/954696429.db2.gz WRXDYTHISRGZQV-GFCCVEGCSA-N 0 0 243.306 2.230 10 30 BEEERN C=CCC[C@@H](C)OC(=O)/C=C\c1ccncn1 ZINC000588469973 958701351 /nfs/dbraw/zinc/70/13/51/958701351.db2.gz NROUCTRWBVLYMV-JMEBYUIHSA-N 0 0 232.283 2.388 10 30 BEEERN C/C(=C/C(C)(C)C)C(=O)N[C@@H](C#N)C1CC1 ZINC000588497638 958851128 /nfs/dbraw/zinc/85/11/28/958851128.db2.gz RJENYNZAQFOUEI-DVBBHNHCSA-N 0 0 220.316 2.397 10 30 BEEERN N#Cc1cccc(C(=O)/C=C\c2cocn2)c1 ZINC000588561389 959175626 /nfs/dbraw/zinc/17/56/26/959175626.db2.gz DLDOSFHFYHPWNY-PLNGDYQASA-N 0 0 224.219 2.442 10 30 BEEERN COc1cc(C(=O)/C=C\c2cocn2)ccc1O ZINC000588561419 959177751 /nfs/dbraw/zinc/17/77/51/959177751.db2.gz KQOWWYQNBGRUMV-HYXAFXHYSA-N 0 0 245.234 2.285 10 30 BEEERN C=CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000588444385 960055121 /nfs/dbraw/zinc/05/51/21/960055121.db2.gz YTSGEZJOGDJZOZ-MDZDMXLPSA-N 0 0 246.266 2.300 10 30 BEEERN CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000695690185 968959411 /nfs/dbraw/zinc/95/94/11/968959411.db2.gz LRBDOMNFOYAKMM-DGCLKSJQSA-N 0 0 238.331 2.255 10 30 BEEERN C#C[C@H]([NH2+]Cc1csc(C(=O)[O-])c1)C(C)C ZINC000689079997 976207566 /nfs/dbraw/zinc/20/75/66/976207566.db2.gz ZQPWQXXATAVOCC-JTQLQIEISA-N 0 0 237.324 2.194 10 30 BEEERN C=CCC[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000689084745 976211635 /nfs/dbraw/zinc/21/16/35/976211635.db2.gz XHNXGUNQCPVJRF-UHFFFAOYSA-N 0 0 225.313 2.454 10 30 BEEERN C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)[O-] ZINC000692239696 976407982 /nfs/dbraw/zinc/40/79/82/976407982.db2.gz MXCUDXINSFQJAP-GHMZBOCLSA-N 0 0 211.305 2.186 10 30 BEEERN CC#CCC[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692456908 976489503 /nfs/dbraw/zinc/48/95/03/976489503.db2.gz WHTULMXFSQESIR-UHFFFAOYSA-N 0 0 245.322 2.377 10 30 BEEERN CC(C)C[C@H](C(=O)[O-])[NH+]1CCC(CC#N)CC1 ZINC000710026065 977474726 /nfs/dbraw/zinc/47/47/26/977474726.db2.gz PVRWPXCTTYSAFE-GFCCVEGCSA-N 0 0 238.331 2.111 10 30 BEEERN CC(C)C[C@@H](C(=O)[O-])[NH+]1CCC(CC#N)CC1 ZINC000710026070 977474939 /nfs/dbraw/zinc/47/49/39/977474939.db2.gz PVRWPXCTTYSAFE-LBPRGKRZSA-N 0 0 238.331 2.111 10 30 BEEERN CCOC(=O)C#C[C@H](CC)CC(F)F ZINC000685953633 538897721 /nfs/dbraw/zinc/89/77/21/538897721.db2.gz NSQGYGCWWRGYOO-QMMMGPOBSA-N 0 0 204.216 2.234 10 30 BEEERN Cc1ncsc1C#CC(=O)OC(C)(C)C ZINC000685953416 538897989 /nfs/dbraw/zinc/89/79/89/538897989.db2.gz MIVMSSLSBVAZOT-UHFFFAOYSA-N 0 0 223.297 2.145 10 30 BEEERN CC[C@@H](C#CC(=O)OC(C)(C)C)SC ZINC000685954655 538899358 /nfs/dbraw/zinc/89/93/58/538899358.db2.gz XTWDMYYTQYLKRG-VIFPVBQESA-N 0 0 214.330 2.473 10 30 BEEERN C=CCSCC(F)(F)C(=O)OCC ZINC000685955929 538901875 /nfs/dbraw/zinc/90/18/75/538901875.db2.gz UETIQGNLOJJCLN-UHFFFAOYSA-N 0 0 210.245 2.104 10 30 BEEERN C=CC(=O)C1(N(C)C(=O)OC(C)(C)C)CC1 ZINC000685962880 538909545 /nfs/dbraw/zinc/90/95/45/538909545.db2.gz YHILUGKRUGTEJO-UHFFFAOYSA-N 0 0 225.288 2.141 10 30 BEEERN CC#CCOc1c(Cl)cccc1CO ZINC000159191398 349468156 /nfs/dbraw/zinc/46/81/56/349468156.db2.gz LTGHROZIHYWQLK-UHFFFAOYSA-N 0 0 210.660 2.234 10 30 BEEERN COC(=O)N1CC[C@@H](c2cccc(C#N)c2)C1 ZINC000616612249 349508063 /nfs/dbraw/zinc/50/80/63/349508063.db2.gz ZZDVRXRUPRAMPJ-GFCCVEGCSA-N 0 0 230.267 2.114 10 30 BEEERN Cc1cc(C#N)nc(NC(C)(C)COC(C)C)n1 ZINC000396491205 262804648 /nfs/dbraw/zinc/80/46/48/262804648.db2.gz QXBZLJGABGXPKZ-UHFFFAOYSA-N 0 0 248.330 2.272 10 30 BEEERN C#CC[C@@H](O)c1ccc(N)c(Br)c1 ZINC000575517342 398177534 /nfs/dbraw/zinc/17/75/34/398177534.db2.gz MMIBEAPBKJRRFZ-SNVBAGLBSA-N 0 0 240.100 2.088 10 30 BEEERN Cc1cc(N)c(Br)cc1C#N ZINC000098180670 178101674 /nfs/dbraw/zinc/10/16/74/178101674.db2.gz IHFUZUGTTXFQLP-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN CC[C@H](C#N)N1CC[C@@H](C(F)(F)F)C1 ZINC000306465335 398201473 /nfs/dbraw/zinc/20/14/73/398201473.db2.gz BGEIYQMQLMGUMG-HTQZYQBOSA-N 0 0 206.211 2.173 10 30 BEEERN Cc1cc(N=C2C=CC(=O)C=C2)ccc1N ZINC000005419643 178124060 /nfs/dbraw/zinc/12/40/60/178124060.db2.gz RWIMGHAFJNQGDH-UHFFFAOYSA-N 0 0 212.252 2.345 10 30 BEEERN C[C@@H](CC1CC1)NC(=O)c1cccc(C#N)c1 ZINC000070104314 398221039 /nfs/dbraw/zinc/22/10/39/398221039.db2.gz STICEAUJNXKUPP-JTQLQIEISA-N 0 0 228.295 2.477 10 30 BEEERN Cc1cc(OCC/C(N)=N/O)cc(C)c1Cl ZINC000036988099 178209955 /nfs/dbraw/zinc/20/99/55/178209955.db2.gz UJYUFERBGRLITO-UHFFFAOYSA-N 0 0 242.706 2.472 10 30 BEEERN Cc1cc(Oc2cnn(C)c2)c(C#N)c(C)n1 ZINC000227940512 178215456 /nfs/dbraw/zinc/21/54/56/178215456.db2.gz GBNKVHZMWJEGBH-UHFFFAOYSA-N 0 0 228.255 2.096 10 30 BEEERN COC(=O)C#CCc1ccc(C)c(C)c1 ZINC000070835287 361779425 /nfs/dbraw/zinc/77/94/25/361779425.db2.gz SXEJGQBKEMXHMM-UHFFFAOYSA-N 0 0 202.253 2.022 10 30 BEEERN CC(C)n1nnnc1CSCCCCC#N ZINC000161927564 349522669 /nfs/dbraw/zinc/52/26/69/349522669.db2.gz FKQWPPFJQYLJCY-UHFFFAOYSA-N 0 0 239.348 2.181 10 30 BEEERN CCOC(=O)[C@@]1(CC)O[C@]1(C)CC1CC1 ZINC000229762658 538941089 /nfs/dbraw/zinc/94/10/89/538941089.db2.gz AIAVEMCNZFYCPL-VXGBXAGGSA-N 0 0 212.289 2.287 10 30 BEEERN Cc1ccc(-c2nc(CC#N)no2)c(C)c1 ZINC000073641399 178334247 /nfs/dbraw/zinc/33/42/47/178334247.db2.gz DYBUEUFABBKXME-UHFFFAOYSA-N 0 0 213.240 2.420 10 30 BEEERN Cc1ccc(/N=C/c2ncc([N+](=O)[O-])n2C)cc1 ZINC000005116263 178359689 /nfs/dbraw/zinc/35/96/89/178359689.db2.gz GFZGRQLCVBRLTL-NTUHNPAUSA-N 0 0 244.254 2.387 10 30 BEEERN Cc1ccc(/N=C2\SCC(=O)N2C)cc1 ZINC000001411875 178360167 /nfs/dbraw/zinc/36/01/67/178360167.db2.gz QDZCWKXNZOSMKR-QXMHVHEDSA-N 0 0 220.297 2.188 10 30 BEEERN Cc1ccc(C#N)cc1NCCC(=O)NC(C)C ZINC000054048371 178367687 /nfs/dbraw/zinc/36/76/87/178367687.db2.gz RXGOYBZHWJKIRS-UHFFFAOYSA-N 0 0 245.326 2.193 10 30 BEEERN Cc1ccc(C#N)cc1NC1CCOCC1 ZINC000050429823 178367710 /nfs/dbraw/zinc/36/77/10/178367710.db2.gz ARETUDNNJWYKER-UHFFFAOYSA-N 0 0 216.284 2.458 10 30 BEEERN Cc1ccc(C#N)c(NC2CCOCC2)c1 ZINC000051579089 178362679 /nfs/dbraw/zinc/36/26/79/178362679.db2.gz VITQLIBDACKJIO-UHFFFAOYSA-N 0 0 216.284 2.458 10 30 BEEERN Cc1noc(CNc2cc(C)ccc2C#N)n1 ZINC000051579372 178364675 /nfs/dbraw/zinc/36/46/75/178364675.db2.gz IMNAEYVGVGPJCZ-UHFFFAOYSA-N 0 0 228.255 2.170 10 30 BEEERN Cc1ccc(C#N)c(NC[C@@H]2CCCO2)c1 ZINC000051578845 178364999 /nfs/dbraw/zinc/36/49/99/178364999.db2.gz VPEPKRMWTHARCE-LBPRGKRZSA-N 0 0 216.284 2.458 10 30 BEEERN Cc1ccc(/C(N)=N/O)c(N(C)[C@@H](C)C2CC2)c1 ZINC000051578958 178351794 /nfs/dbraw/zinc/35/17/94/178351794.db2.gz FRUSRARJKRNOLF-JTQLQIEISA-N 0 0 247.342 2.324 10 30 BEEERN Cc1ccc(/C(N)=N/O)c(OC2CCCC2)c1 ZINC000051580482 178352231 /nfs/dbraw/zinc/35/22/31/178352231.db2.gz GXHQEEFWLSWXNA-UHFFFAOYSA-N 0 0 234.299 2.411 10 30 BEEERN C#CC[C@@H](O)Cc1ccc(Br)cc1 ZINC000051074398 346827213 /nfs/dbraw/zinc/82/72/13/346827213.db2.gz KXLARSKHNOUVKA-LLVKDONJSA-N 0 0 239.112 2.376 10 30 BEEERN C=CC(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC000405505765 538960174 /nfs/dbraw/zinc/96/01/74/538960174.db2.gz IWKJEMLBNWIOAM-UHFFFAOYSA-N 0 0 225.288 2.141 10 30 BEEERN C=C(C)CC(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000405516995 538960228 /nfs/dbraw/zinc/96/02/28/538960228.db2.gz SLNTUCFDONTINR-UHFFFAOYSA-N 0 0 239.315 2.389 10 30 BEEERN C=CC(=O)CN(CC1CC1)C(=O)OC(C)(C)C ZINC000405536324 538960251 /nfs/dbraw/zinc/96/02/51/538960251.db2.gz HAQACSNYCVWSPP-UHFFFAOYSA-N 0 0 239.315 2.389 10 30 BEEERN C=CC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000405606810 538960438 /nfs/dbraw/zinc/96/04/38/538960438.db2.gz JLQZWDUWSPLORF-SECBINFHSA-N 0 0 239.315 2.245 10 30 BEEERN O=C1C=C/C(=N\n2cccc2)c2ccccc21 ZINC000199782765 342688885 /nfs/dbraw/zinc/68/88/85/342688885.db2.gz BUNYHNRKCUZZPU-FYWRMAATSA-N 0 0 222.247 2.493 10 30 BEEERN CC#CCCC(=O)c1cccc(N)c1F ZINC000306650460 361849498 /nfs/dbraw/zinc/84/94/98/361849498.db2.gz FOACJCLTHAWCDR-UHFFFAOYSA-N 0 0 205.232 2.394 10 30 BEEERN C=CC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000405952097 538961919 /nfs/dbraw/zinc/96/19/19/538961919.db2.gz SWVHMZIKOVPQIL-LLVKDONJSA-N 0 0 239.315 2.435 10 30 BEEERN C=CC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 ZINC000405952098 538961969 /nfs/dbraw/zinc/96/19/69/538961969.db2.gz SWVHMZIKOVPQIL-NSHDSACASA-N 0 0 239.315 2.435 10 30 BEEERN C#CCC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406021864 538962518 /nfs/dbraw/zinc/96/25/18/538962518.db2.gz FEBIIJDFFJYIBR-MNOVXSKESA-N 0 0 249.310 2.048 10 30 BEEERN COC(=O)c1c(C)c(Cl)ccc1C#N ZINC000306652599 361863029 /nfs/dbraw/zinc/86/30/29/361863029.db2.gz IOMBYCBPALLCAP-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN CCCCC[C@@H]1CC(=O)CC(O)=C1C(=O)OC ZINC000003944872 342739560 /nfs/dbraw/zinc/73/95/60/342739560.db2.gz FETWVVHGLAIOOR-SKDRFNHKSA-N 0 0 240.299 2.387 10 30 BEEERN C[C@H](O)C#Cc1nc2ccccc2s1 ZINC000207480655 342755317 /nfs/dbraw/zinc/75/53/17/342755317.db2.gz VMHRDRDXNXEKAX-QMMMGPOBSA-N 0 0 203.266 2.029 10 30 BEEERN C#Cc1c(OC)cc(OC)c(Cl)c1OC ZINC000005512013 342765259 /nfs/dbraw/zinc/76/52/59/342765259.db2.gz VDGPIXIOSGCPKJ-UHFFFAOYSA-N 0 0 226.659 2.347 10 30 BEEERN O=C1C=CC(O)(c2cc3ccccc3o2)C=C1 ZINC000006583985 342779831 /nfs/dbraw/zinc/77/98/31/342779831.db2.gz RQQOIJGYQDNYRG-UHFFFAOYSA-N 0 0 226.231 2.316 10 30 BEEERN C#CCCOc1ccc(F)cc1C(=O)OC ZINC000147872528 342782565 /nfs/dbraw/zinc/78/25/65/342782565.db2.gz OPBUQIZDVDQHAK-UHFFFAOYSA-N 0 0 222.215 2.014 10 30 BEEERN CC(C)(C#N)N1CCC2(CCC(O)CC2)CC1 ZINC000336268912 342797178 /nfs/dbraw/zinc/79/71/78/342797178.db2.gz XEMXXKHLKZUWSA-UHFFFAOYSA-N 0 0 236.359 2.306 10 30 BEEERN N#Cc1ccnc(Cl)c1Br ZINC000306484143 398288609 /nfs/dbraw/zinc/28/86/09/398288609.db2.gz LYOQFCKDQDAMHU-UHFFFAOYSA-N 0 0 217.453 2.369 10 30 BEEERN C[C@H]1CC[C@](C#N)(NCc2ccccc2)CO1 ZINC000401463865 342821210 /nfs/dbraw/zinc/82/12/10/342821210.db2.gz KTXZMRWKCNUNJV-GXTWGEPZSA-N 0 0 230.311 2.237 10 30 BEEERN N#CCc1cc(Br)c(F)cc1O ZINC000216658338 342834706 /nfs/dbraw/zinc/83/47/06/342834706.db2.gz ZGEPNCOYDKNYTQ-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN CC(=O)c1ccc(O[C@@H](C)C#N)c(F)c1 ZINC000127069592 342829123 /nfs/dbraw/zinc/82/91/23/342829123.db2.gz SYLCLIDYMWJKFX-ZETCQYMHSA-N 0 0 207.204 2.319 10 30 BEEERN C=CCNc1ccncc1Br ZINC000165048504 342872440 /nfs/dbraw/zinc/87/24/40/342872440.db2.gz YFPAKBVMTTYBRA-UHFFFAOYSA-N 0 0 213.078 2.442 10 30 BEEERN CCc1c(Cl)nc2c(C#N)cnn2c1Cl ZINC000229931078 342857241 /nfs/dbraw/zinc/85/72/41/342857241.db2.gz ATAJDZNWBDIQAE-UHFFFAOYSA-N 0 0 241.081 2.470 10 30 BEEERN COc1cccc(C#Cc2cncc(C=O)c2)c1 ZINC000116290861 342923329 /nfs/dbraw/zinc/92/33/29/342923329.db2.gz KXUNRVFSYUPZNZ-UHFFFAOYSA-N 0 0 237.258 2.303 10 30 BEEERN N#Cc1cncc(C#Cc2cccc(F)c2)c1 ZINC000116291296 342923501 /nfs/dbraw/zinc/92/35/01/342923501.db2.gz AWAZJHDGHPXLIK-UHFFFAOYSA-N 0 0 222.222 2.492 10 30 BEEERN CCOC(=O)C(C)(C)Oc1cccc(C#N)c1 ZINC000116492656 342927233 /nfs/dbraw/zinc/92/72/33/342927233.db2.gz CBRKJHOFPFYWEY-UHFFFAOYSA-N 0 0 233.267 2.279 10 30 BEEERN COc1ccc(OC(F)(F)F)nc1CC#N ZINC000309222435 342915451 /nfs/dbraw/zinc/91/54/51/342915451.db2.gz QQFNOFOFXQXPJG-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN CC[C@H](C#N)C(=O)c1sc(C)nc1C ZINC000233973215 342916614 /nfs/dbraw/zinc/91/66/14/342916614.db2.gz USBBVYJVIUSVKT-MRVPVSSYSA-N 0 0 208.286 2.492 10 30 BEEERN N#Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000071508792 259332087 /nfs/dbraw/zinc/33/20/87/259332087.db2.gz RHCRUXCKQRQJCO-UHFFFAOYSA-N 0 0 203.632 2.397 10 30 BEEERN C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@H](O)CC=C(C)[C@H]21 ZINC000004098178 346888130 /nfs/dbraw/zinc/88/81/30/346888130.db2.gz PLSSEPIRACGCBO-PFFFPCNUSA-N 0 0 248.322 2.211 10 30 biogenic,in-vitro BEEERN CC(C)[C@@H](C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188232833 398344693 /nfs/dbraw/zinc/34/46/93/398344693.db2.gz VMILTLKPQSBVQU-SECBINFHSA-N 0 0 232.283 2.038 10 30 BEEERN CCN(C)c1noc(-c2ccc(C#N)cc2C)n1 ZINC000234011157 342991893 /nfs/dbraw/zinc/99/18/93/342991893.db2.gz CJVVNAVHACCZPY-UHFFFAOYSA-N 0 0 242.282 2.373 10 30 BEEERN C=CCSCC(=O)c1ccc(O)c(O)c1 ZINC000308799944 346913204 /nfs/dbraw/zinc/91/32/04/346913204.db2.gz MGJFDQWAMVRJLI-UHFFFAOYSA-N 0 0 224.281 2.200 10 30 BEEERN N#Cc1ncc(Oc2ccccc2F)cn1 ZINC000260563218 349727010 /nfs/dbraw/zinc/72/70/10/349727010.db2.gz VZGKKMYCLYQSAL-UHFFFAOYSA-N 0 0 215.187 2.280 10 30 BEEERN C#CCOc1ccc(N2C(=O)N=NC2=O)cc1 ZINC000117856006 343019986 /nfs/dbraw/zinc/01/99/86/343019986.db2.gz YZGYJOCPDQNZTH-UHFFFAOYSA-N 0 0 229.195 2.211 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](C2CC2)C1 ZINC000329734623 136261214 /nfs/dbraw/zinc/26/12/14/136261214.db2.gz KKYUMXPWPIVFTA-XQQFMLRXSA-N 0 0 247.342 2.325 10 30 BEEERN O=C(N[C@@H]1CCC(=O)NC1)[C@@H]1CCCSC1 ZINC000329793727 136263142 /nfs/dbraw/zinc/26/31/42/136263142.db2.gz VSHXLELLXUJVHM-RKDXNWHRSA-N 0 0 242.344 2.205 10 30 BEEERN Cc1c(F)c(F)c(CC=O)c(F)c1F ZINC000043502301 343098405 /nfs/dbraw/zinc/09/84/05/343098405.db2.gz PVWUKTXLNSUQMS-UHFFFAOYSA-N 0 0 206.138 2.293 10 30 BEEERN C[Si](C)(C)C#CCCOc1ncccn1 ZINC000200766344 343118335 /nfs/dbraw/zinc/11/83/35/343118335.db2.gz STXHGDFPWMXZTH-UHFFFAOYSA-N 0 0 220.348 2.126 10 30 BEEERN C[Si](C)(C)C#Cc1c[nH]cc2ncnc1-2 ZINC000200210058 343118729 /nfs/dbraw/zinc/11/87/29/343118729.db2.gz XUJZOPMLOGMVLK-UHFFFAOYSA-N 0 0 215.332 2.187 10 30 BEEERN O=C1C=C/C(=C/Sc2ncccn2)S1 ZINC000206203563 343122293 /nfs/dbraw/zinc/12/22/93/343122293.db2.gz OGESFIJMVAQODD-SREVYHEPSA-N 0 0 222.294 2.240 10 30 BEEERN N#Cc1c(CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000142797498 343112999 /nfs/dbraw/zinc/11/29/99/343112999.db2.gz PSQCYMJXMOCWAO-UHFFFAOYSA-N 0 0 245.282 2.452 10 30 BEEERN Cc1ncnc(C#N)c1-c1ccc(O)cc1F ZINC000144674139 343137764 /nfs/dbraw/zinc/13/77/64/343137764.db2.gz RQWSUSGXBHHBNO-UHFFFAOYSA-N 0 0 229.214 2.168 10 30 BEEERN CC(C)(C#N)c1ccc(C(=O)CCCO)cc1 ZINC000165300961 343139892 /nfs/dbraw/zinc/13/98/92/343139892.db2.gz FLCMBFYUEIKENX-UHFFFAOYSA-N 0 0 231.295 2.443 10 30 BEEERN CCC#C[C@H](C)N1C(=O)c2ccccc2C1=O ZINC000144853510 343139907 /nfs/dbraw/zinc/13/99/07/343139907.db2.gz PCHOPLRJPMDQGR-JTQLQIEISA-N 0 0 227.263 2.085 10 30 BEEERN CC[C@@H](C#N)N1CCc2sccc2C1 ZINC000043556019 343140663 /nfs/dbraw/zinc/14/06/63/343140663.db2.gz OMOIQRAXVKFVKS-JTQLQIEISA-N 0 0 206.314 2.408 10 30 BEEERN C=C(C)C(=O)c1cccc(OC)c1OC ZINC000161105911 343203976 /nfs/dbraw/zinc/20/39/76/343203976.db2.gz ABNRQXFZBQLBBV-UHFFFAOYSA-N 0 0 206.241 2.463 10 30 BEEERN CSc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000108828338 136275459 /nfs/dbraw/zinc/27/54/59/136275459.db2.gz FKSNMCBWQQQPKN-LBPRGKRZSA-N 0 0 246.335 2.440 10 30 BEEERN CCCC/C(=N/NC(N)=S)c1ccccc1 ZINC000035004574 343282839 /nfs/dbraw/zinc/28/28/39/343282839.db2.gz XIKQCWKUXPAUPG-KAMYIIQDSA-N 0 0 235.356 2.414 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(F)cn1 ZINC000335285437 136293038 /nfs/dbraw/zinc/29/30/38/136293038.db2.gz WJGKABGWXBDTBX-CABZTGNLSA-N 0 0 219.263 2.003 10 30 BEEERN C[C@H]1CCC[C@H](CC(=O)NCCC#N)C1 ZINC000408370684 133478455 /nfs/dbraw/zinc/47/84/55/133478455.db2.gz OINQKUAQQLCJKH-QWRGUYRKSA-N 0 0 208.305 2.233 10 30 BEEERN N/C(=N\O)Nc1c(Cl)cccc1Cl ZINC000039297616 343388510 /nfs/dbraw/zinc/38/85/10/343388510.db2.gz DKUJVJAWXARITL-UHFFFAOYSA-N 0 0 220.059 2.109 10 30 BEEERN C#C[C@H](C)Oc1cc(Cl)nc(CC)n1 ZINC000234139828 343447668 /nfs/dbraw/zinc/44/76/68/343447668.db2.gz YLMSLUXDSAVGRN-ZETCQYMHSA-N 0 0 210.664 2.093 10 30 BEEERN Cc1noc(NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c1C ZINC000329317038 136364994 /nfs/dbraw/zinc/36/49/94/136364994.db2.gz DAUJOPDAQCHSRQ-AEJSXWLSSA-N 0 0 236.271 2.304 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000054828660 136373072 /nfs/dbraw/zinc/37/30/72/136373072.db2.gz OWZIPAVHVVZYRO-CMPLNLGQSA-N 0 0 245.282 2.377 10 30 BEEERN C[C@@H](C#N)NCc1ccc(Br)cc1 ZINC000043514571 343476397 /nfs/dbraw/zinc/47/63/97/343476397.db2.gz ACNVMSNDRLGXFH-QMMMGPOBSA-N 0 0 239.116 2.451 10 30 BEEERN C[C@@H](C#N)Oc1ccc(C=O)cc1Cl ZINC000043516137 343476677 /nfs/dbraw/zinc/47/66/77/343476677.db2.gz XDHFFZOXASDSBW-ZETCQYMHSA-N 0 0 209.632 2.443 10 30 BEEERN N#Cc1ccc2[nH]cc(Br)c2n1 ZINC000044713381 343512486 /nfs/dbraw/zinc/51/24/86/343512486.db2.gz ZKEAKBSDOMBNBR-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN COc1c(C#N)cc2ccccc2c1CO ZINC000204321373 343565136 /nfs/dbraw/zinc/56/51/36/343565136.db2.gz PPNKJNLOUULZEK-UHFFFAOYSA-N 0 0 213.236 2.212 10 30 BEEERN N#CCc1cnn(C2CC2)c1C(F)(F)F ZINC000205593373 343635041 /nfs/dbraw/zinc/63/50/41/343635041.db2.gz PSTWQTNMDVACFM-UHFFFAOYSA-N 0 0 215.178 2.303 10 30 BEEERN COc1ccc(COCCC(=O)CC#N)cc1 ZINC000205826282 343654249 /nfs/dbraw/zinc/65/42/49/343654249.db2.gz IEGOHGCFPZXFMP-UHFFFAOYSA-N 0 0 233.267 2.085 10 30 BEEERN N#Cc1cc(-c2cccnc2)nnc1Cl ZINC000083991380 343694791 /nfs/dbraw/zinc/69/47/91/343694791.db2.gz KQWJWVYVUZFZQP-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN COc1cc(-c2cnccc2C=O)ccc1C#N ZINC000166665424 343712549 /nfs/dbraw/zinc/71/25/49/343712549.db2.gz CAHKMILONRIWLJ-UHFFFAOYSA-N 0 0 238.246 2.441 10 30 BEEERN N#CCC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000409430214 343807715 /nfs/dbraw/zinc/80/77/15/343807715.db2.gz UWWCIDCUKODKHE-LBPRGKRZSA-N 0 0 229.283 2.049 10 30 BEEERN CCc1cc(-c2cccnc2)nn1CC#N ZINC000409440696 343853367 /nfs/dbraw/zinc/85/33/67/343853367.db2.gz NYIFPSCARTZVTG-UHFFFAOYSA-N 0 0 212.256 2.031 10 30 BEEERN C#CCn1cc(CC#N)c(-c2cccs2)n1 ZINC000409439943 343854111 /nfs/dbraw/zinc/85/41/11/343854111.db2.gz QXIJZVWFKGHFRJ-UHFFFAOYSA-N 0 0 227.292 2.311 10 30 BEEERN Cc1[nH]nc(-c2ccoc2)c1CCC#N ZINC000409441029 343855031 /nfs/dbraw/zinc/85/50/31/343855031.db2.gz PIGLHMKMOGFOMT-UHFFFAOYSA-N 0 0 201.229 2.434 10 30 BEEERN N#CCn1nc(-c2cccs2)c2c1CCOC2 ZINC000409437072 343842282 /nfs/dbraw/zinc/84/22/82/343842282.db2.gz DEHMTIXHIYQLSQ-UHFFFAOYSA-N 0 0 245.307 2.208 10 30 BEEERN Cc1[nH]nc(-c2cccnc2)c1CCC#N ZINC000409438859 343845855 /nfs/dbraw/zinc/84/58/55/343845855.db2.gz GEMAKLVYOTVHPE-UHFFFAOYSA-N 0 0 212.256 2.236 10 30 BEEERN C#CCN1CCn2nc(-c3cccs3)cc2C1 ZINC000409439327 343846796 /nfs/dbraw/zinc/84/67/96/343846796.db2.gz QWGGWYVXWOLWOM-UHFFFAOYSA-N 0 0 243.335 2.060 10 30 BEEERN C#CCn1nc(C(F)(F)F)c2c1CCC2 ZINC000409437763 343848944 /nfs/dbraw/zinc/84/89/44/343848944.db2.gz ILVZGNOQRLVRRO-UHFFFAOYSA-N 0 0 214.190 2.024 10 30 BEEERN N#CCn1ccn2nc(-c3ccccc3)cc12 ZINC000409438165 343849903 /nfs/dbraw/zinc/84/99/03/343849903.db2.gz LEGYDVGGUTZAAA-UHFFFAOYSA-N 0 0 222.251 2.326 10 30 BEEERN C=CCCO[C@H](C)C(=O)NCCCCSC ZINC000126300953 343876664 /nfs/dbraw/zinc/87/66/64/343876664.db2.gz DTKWZARORMHWOD-LLVKDONJSA-N 0 0 245.388 2.227 10 30 BEEERN CC(=O)c1ccccc1C#CCCCO ZINC000585144962 343880378 /nfs/dbraw/zinc/88/03/78/343880378.db2.gz PKDKJNNQJJHOIX-UHFFFAOYSA-N 0 0 202.253 2.013 10 30 BEEERN CCOC(=O)[C@@H]1O[C@]12CCCC21CCCC1 ZINC000328276389 537829116 /nfs/dbraw/zinc/82/91/16/537829116.db2.gz OPVQTPXRRLOLQB-GXFFZTMASA-N 0 0 224.300 2.431 10 30 BEEERN CC1CCN(c2ccc([C@@H](N)C#N)o2)CC1 ZINC000409442444 343858528 /nfs/dbraw/zinc/85/85/28/343858528.db2.gz VDDPJHZAWITODS-JTQLQIEISA-N 0 0 219.288 2.039 10 30 BEEERN C#CCn1nc(-c2ccccn2)cc1CC ZINC000409441359 343858949 /nfs/dbraw/zinc/85/89/49/343858949.db2.gz RGQSUPPMTBEZOC-UHFFFAOYSA-N 0 0 211.268 2.141 10 30 BEEERN N#CCc1cn(CC#N)nc1-c1ccsc1 ZINC000409441465 343858993 /nfs/dbraw/zinc/85/89/93/343858993.db2.gz YERHGBGLRKAVET-UHFFFAOYSA-N 0 0 228.280 2.201 10 30 BEEERN N#CCn1cc(C#N)c(-c2ccsc2)n1 ZINC000409441467 343859453 /nfs/dbraw/zinc/85/94/53/343859453.db2.gz YFCONDZPPBSQSH-UHFFFAOYSA-N 0 0 214.253 2.007 10 30 BEEERN C#C[C@@H](C)Oc1nc(C)c(C)nc1Cl ZINC000235231176 343870956 /nfs/dbraw/zinc/87/09/56/343870956.db2.gz DDOGAWNFVDRXGG-ZCFIWIBFSA-N 0 0 210.664 2.147 10 30 BEEERN C#CC(C)(C)Oc1ncc(Br)cn1 ZINC000135121021 343937250 /nfs/dbraw/zinc/93/72/50/343937250.db2.gz KMXRRBOFYXGCNP-UHFFFAOYSA-N 0 0 241.088 2.030 10 30 BEEERN C#CCN(C)c1ccc(Br)cc1N ZINC000307470517 343938188 /nfs/dbraw/zinc/93/81/88/343938188.db2.gz VTZPOJQTKPWAIU-UHFFFAOYSA-N 0 0 239.116 2.101 10 30 BEEERN C[C@H](C#N)Cn1cc(C(F)(F)F)cn1 ZINC000070018917 343946827 /nfs/dbraw/zinc/94/68/27/343946827.db2.gz QTEGSENPNAOKRU-ZCFIWIBFSA-N 0 0 203.167 2.062 10 30 BEEERN C[C@@H](S)C(=O)Nc1cc(F)cc(F)c1 ZINC000235296099 343950350 /nfs/dbraw/zinc/95/03/50/343950350.db2.gz YOXIRRSPAIXBOW-RXMQYKEDSA-N 0 0 217.240 2.222 10 30 BEEERN CN[C@@H](C#N)c1ccc(F)cc1Br ZINC000234394539 343963294 /nfs/dbraw/zinc/96/32/94/343963294.db2.gz IUEQZNPSZKNMEH-VIFPVBQESA-N 0 0 243.079 2.372 10 30 BEEERN C=CS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000062791264 347023564 /nfs/dbraw/zinc/02/35/64/347023564.db2.gz KXHHJPPTBIPLJI-UHFFFAOYSA-N 0 0 227.672 2.129 10 30 BEEERN C#Cc1cnn(Cc2cccc(F)c2)c1 ZINC000585143057 344175817 /nfs/dbraw/zinc/17/58/17/344175817.db2.gz XCIUEYHCQGGOEA-UHFFFAOYSA-N 0 0 200.216 2.052 10 30 BEEERN C[C@H](C=O)Sc1ccccc1[N+](=O)[O-] ZINC000616574305 344187266 /nfs/dbraw/zinc/18/72/66/344187266.db2.gz ZCMPUWANWQHPOV-SSDOTTSWSA-N 0 0 211.242 2.274 10 30 BEEERN CC1(C)CN(C2=CC(=O)CC2)CCS1 ZINC000135394225 344257156 /nfs/dbraw/zinc/25/71/56/344257156.db2.gz UOVWRGYWVWPZEB-UHFFFAOYSA-N 0 0 211.330 2.061 10 30 BEEERN C#Cc1ccc(OC)c(Br)c1OC ZINC000234828762 344271050 /nfs/dbraw/zinc/27/10/50/344271050.db2.gz JETGIMMWADQGHB-UHFFFAOYSA-N 0 0 241.084 2.448 10 30 BEEERN CC(C)Cc1cc(C#N)nc(C2CC2)n1 ZINC000409438463 344462908 /nfs/dbraw/zinc/46/29/08/344462908.db2.gz MYKAVWZOOSIIOV-UHFFFAOYSA-N 0 0 201.273 2.424 10 30 BEEERN N#Cc1cc(C(F)(F)F)nn1CC1CC1 ZINC000409444036 344466395 /nfs/dbraw/zinc/46/63/95/344466395.db2.gz ZDKKXRZIZYBCKO-UHFFFAOYSA-N 0 0 215.178 2.184 10 30 BEEERN COc1ncccc1CN[C@@H]1CCCC[C@H]1C#N ZINC000054825485 344471848 /nfs/dbraw/zinc/47/18/48/344471848.db2.gz PZNCQUQSWKXAOH-WCQYABFASA-N 0 0 245.326 2.262 10 30 BEEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)cs1 ZINC000381146779 344478870 /nfs/dbraw/zinc/47/88/70/344478870.db2.gz KNXSAHKKOCOICA-KOLCDFICSA-N 0 0 234.324 2.479 10 30 BEEERN N#CC1(Br)Cc2ccccc2C1 ZINC000127679930 344596950 /nfs/dbraw/zinc/59/69/50/344596950.db2.gz HICAPCMNAFLCBL-UHFFFAOYSA-N 0 0 222.085 2.442 10 30 BEEERN CC(C)[C@@H]1C[C@@](Br)(C#N)CCO1 ZINC000127620919 344576625 /nfs/dbraw/zinc/57/66/25/344576625.db2.gz RSQJEYZFECUYBJ-DTWKUNHWSA-N 0 0 232.121 2.479 10 30 BEEERN Cc1ccc([C@@H](O)c2ccc(C#N)cc2)cn1 ZINC000127662551 344583854 /nfs/dbraw/zinc/58/38/54/344583854.db2.gz LABIPNKZJBXLJH-AWEZNQCLSA-N 0 0 224.263 2.343 10 30 BEEERN C[C@@H](C#N)Oc1cccc2c1CCC2=O ZINC000062800097 347058434 /nfs/dbraw/zinc/05/84/34/347058434.db2.gz DSMSOCVYJXLBKP-QMMMGPOBSA-N 0 0 201.225 2.106 10 30 BEEERN N#Cc1c(N)cc(F)cc1OC(F)(F)F ZINC000396137692 344614023 /nfs/dbraw/zinc/61/40/23/344614023.db2.gz PEYKOCZKTXOVIH-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN N#Cc1c(N)cc(OC(F)(F)F)cc1F ZINC000396139822 344614963 /nfs/dbraw/zinc/61/49/63/344614963.db2.gz VVRLCFLVYSNQDP-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN N#CCc1c(F)cncc1OC(F)(F)F ZINC000238585969 344604573 /nfs/dbraw/zinc/60/45/73/344604573.db2.gz HPZAEYVMSIPJRR-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1nccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000396119037 344607912 /nfs/dbraw/zinc/60/79/12/344607912.db2.gz JGLAEHXYRGFQRW-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C=C[C@H](NN)c1cc(F)c(Cl)cc1F ZINC000158438349 344651309 /nfs/dbraw/zinc/65/13/09/344651309.db2.gz HCBHBCFMCBYHLQ-VIFPVBQESA-N 0 0 218.634 2.309 10 30 BEEERN Cc1ccc(N(C)C[C@H](C)C#N)cc1N ZINC000061701769 178699247 /nfs/dbraw/zinc/69/92/47/178699247.db2.gz CVAOHDYYARKUHV-SECBINFHSA-N 0 0 203.289 2.173 10 30 BEEERN COc1cncc(C#Cc2ccccc2)c1 ZINC000116291919 344728860 /nfs/dbraw/zinc/72/88/60/344728860.db2.gz PQPFPGUHVLTKQS-UHFFFAOYSA-N 0 0 209.248 2.490 10 30 BEEERN Cc1nc(N2CCC3(CC3)C2)ccc1C#N ZINC000400470327 344732826 /nfs/dbraw/zinc/73/28/26/344732826.db2.gz WYYDFGALWZVXAN-UHFFFAOYSA-N 0 0 213.284 2.252 10 30 BEEERN C[C@H](C#N)NC(=O)c1ccc(C(F)(F)F)s1 ZINC000259768547 344691519 /nfs/dbraw/zinc/69/15/19/344691519.db2.gz AEGSIJXKEAIUSB-RXMQYKEDSA-N 0 0 248.229 2.409 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NC(=O)c1ccco1 ZINC000260002372 344703426 /nfs/dbraw/zinc/70/34/26/344703426.db2.gz NNBBUILRINGNED-NXEZZACHSA-N 0 0 218.256 2.092 10 30 BEEERN Cc1ccc(N)cc1C(=O)OCCCCC#N ZINC000049579301 178708341 /nfs/dbraw/zinc/70/83/41/178708341.db2.gz IQMAUIUWQDIYRZ-UHFFFAOYSA-N 0 0 232.283 2.428 10 30 BEEERN CS[C@@H]1CC[C@@H](NC2=CC(=O)CC2)C1 ZINC000235069325 344757441 /nfs/dbraw/zinc/75/74/41/344757441.db2.gz SASDKLHMXUPPHZ-MWLCHTKSSA-N 0 0 211.330 2.107 10 30 BEEERN N#CC1(CN2CC(F)(F)C(F)(F)C2)CCC1 ZINC000335157222 133529212 /nfs/dbraw/zinc/52/92/12/133529212.db2.gz JFBHTZLTNALMGK-UHFFFAOYSA-N 0 0 236.212 2.266 10 30 BEEERN C=C(Cl)CNC(=O)N[C@H](C)C(C)C ZINC000077790009 344827258 /nfs/dbraw/zinc/82/72/58/344827258.db2.gz NMDWBNFEQJDYGV-MRVPVSSYSA-N 0 0 204.701 2.083 10 30 BEEERN Cc1cnc([C@@H](C)Nc2cnccc2C#N)o1 ZINC000235251416 344861279 /nfs/dbraw/zinc/86/12/79/344861279.db2.gz HKKHEOSEDYZBLP-SECBINFHSA-N 0 0 228.255 2.423 10 30 BEEERN C#C[C@@H](C)Oc1cc(C#N)cc(Cl)n1 ZINC000235241480 344856058 /nfs/dbraw/zinc/85/60/58/344856058.db2.gz RJTCIVQEMQRURV-SSDOTTSWSA-N 0 0 206.632 2.007 10 30 BEEERN C#C[C@@H](C)Oc1nnc(Cl)c(C)c1C ZINC000235241401 344856205 /nfs/dbraw/zinc/85/62/05/344856205.db2.gz PREMNODJQRLGJU-ZCFIWIBFSA-N 0 0 210.664 2.147 10 30 BEEERN C[C@@H]1CCC[C@H](NC(=O)CS)CC1 ZINC000235258702 344859739 /nfs/dbraw/zinc/85/97/39/344859739.db2.gz QBAJAZHSCHPLQY-BDAKNGLRSA-N 0 0 201.335 2.001 10 30 BEEERN CCCCC[C@]1(C)O[C@]1(C)C(=O)OC ZINC000087649336 537869493 /nfs/dbraw/zinc/86/94/93/537869493.db2.gz BMHFARVKPGLPEL-WDEREUQCSA-N 0 0 200.278 2.287 10 30 BEEERN C=C(Cl)Cn1c(CC)nc(Cl)cc1=O ZINC000166360986 344872044 /nfs/dbraw/zinc/87/20/44/344872044.db2.gz CRZVQPWWXNDZHA-UHFFFAOYSA-N 0 0 233.098 2.212 10 30 BEEERN C#CC[C@@H](C)NC(=O)c1ccoc1Cl ZINC000235433221 344910514 /nfs/dbraw/zinc/91/05/14/344910514.db2.gz FDPBNIYDRMTSBB-SSDOTTSWSA-N 0 0 211.648 2.075 10 30 BEEERN C=C[C@@H](NN)c1cccc(Br)c1 ZINC000166497741 344908653 /nfs/dbraw/zinc/90/86/53/344908653.db2.gz YKUSVPDYZSTBFJ-SECBINFHSA-N 0 0 227.105 2.140 10 30 BEEERN Cc1ccc(S[C@H](C)CO)c(C#N)c1 ZINC000235476832 344922403 /nfs/dbraw/zinc/92/24/03/344922403.db2.gz VYEDWPQRACVKFO-SECBINFHSA-N 0 0 207.298 2.340 10 30 BEEERN C[C@H](S)C(=O)N(C)c1ccc(F)cc1 ZINC000235547298 344937926 /nfs/dbraw/zinc/93/79/26/344937926.db2.gz PETGLZIIABCMPX-ZETCQYMHSA-N 0 0 213.277 2.107 10 30 BEEERN C[C@H](S)C(=O)N[C@@H](C)C1CCCCC1 ZINC000235559155 344938338 /nfs/dbraw/zinc/93/83/38/344938338.db2.gz BQKBUPOSPZMUME-IUCAKERBSA-N 0 0 215.362 2.390 10 30 BEEERN C#C[C@H](C)Oc1ccncc1Br ZINC000235533002 344933097 /nfs/dbraw/zinc/93/30/97/344933097.db2.gz KDBVODOCORPKAU-ZETCQYMHSA-N 0 0 226.073 2.245 10 30 BEEERN C[C@H](S)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000235550817 344939001 /nfs/dbraw/zinc/93/90/01/344939001.db2.gz ZFBWTGYGWMHFIH-YIZRAAEISA-N 0 0 201.335 2.094 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1S ZINC000238180462 344983064 /nfs/dbraw/zinc/98/30/64/344983064.db2.gz HYNWLTCHEVLKRL-YUMQZZPRSA-N 0 0 217.334 2.362 10 30 BEEERN COC(=O)c1cc(F)c(C#N)c(Cl)c1 ZINC000238361487 345032153 /nfs/dbraw/zinc/03/21/53/345032153.db2.gz XDXVEFDZEQMCEG-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN CCOC(CNc1ccc(C#N)cc1)OCC ZINC000146047183 345041875 /nfs/dbraw/zinc/04/18/75/345041875.db2.gz XMTUFRKPVKCKOR-UHFFFAOYSA-N 0 0 234.299 2.369 10 30 BEEERN N#CCc1ncccc1OC(F)(F)F ZINC000238537188 345072766 /nfs/dbraw/zinc/07/27/66/345072766.db2.gz JSMNNWHHQQKXOH-UHFFFAOYSA-N 0 0 202.135 2.046 10 30 BEEERN Cc1cc(NC[C@@H]2CCCO2)c(C#N)c(C)n1 ZINC000156535062 345173986 /nfs/dbraw/zinc/17/39/86/345173986.db2.gz GGQRNXPRXZCRGG-NSHDSACASA-N 0 0 231.299 2.161 10 30 BEEERN FC(F)(F)c1ccncc1C[C@@H]1CO1 ZINC000225456426 345152822 /nfs/dbraw/zinc/15/28/22/345152822.db2.gz PNDYBRIEJGGGFU-SSDOTTSWSA-N 0 0 203.163 2.042 10 30 BEEERN C#CCC(=O)C(C)(C)c1ccc(N)cc1 ZINC000226781150 345242041 /nfs/dbraw/zinc/24/20/41/345242041.db2.gz IQMGQIZIKCVOEC-UHFFFAOYSA-N 0 0 201.269 2.139 10 30 BEEERN C#C[C@@H](NN)c1c(Cl)cccc1Cl ZINC000158096554 345296319 /nfs/dbraw/zinc/29/63/19/345296319.db2.gz SZAISCULADUUEJ-MRVPVSSYSA-N 0 0 215.083 2.131 10 30 BEEERN N#Cc1ccc(N)c(NCCC2CC2)c1 ZINC000128162520 345368912 /nfs/dbraw/zinc/36/89/12/345368912.db2.gz UNOIBHLNHZSYBV-UHFFFAOYSA-N 0 0 201.273 2.352 10 30 BEEERN C#Cc1cccc(N(C)C(=O)[C@@]2(C)CCCO2)c1 ZINC000132527247 345333773 /nfs/dbraw/zinc/33/37/73/345333773.db2.gz UGAFTUBOPQWVER-OAHLLOKOSA-N 0 0 243.306 2.200 10 30 BEEERN C=CCOC(=O)N1O[C@@H]1c1ccccc1 ZINC000169024149 345421211 /nfs/dbraw/zinc/42/12/11/345421211.db2.gz AKOFKIRYIXNRMB-RWANSRKNSA-N 0 0 205.213 2.255 10 30 BEEERN C#CCCNc1cc(Cl)nc(CC)n1 ZINC000229302898 345493884 /nfs/dbraw/zinc/49/38/84/345493884.db2.gz CLDAFWYJXVEMEO-UHFFFAOYSA-N 0 0 209.680 2.128 10 30 BEEERN C=C[C@@H](C)Nc1nc(Cl)ncc1F ZINC000229319888 345504432 /nfs/dbraw/zinc/50/44/32/345504432.db2.gz IGBUVSIZEBPOQP-RXMQYKEDSA-N 0 0 201.632 2.256 10 30 BEEERN CC(N)=CC(=O)c1ccc(Br)cc1 ZINC000167297433 345505755 /nfs/dbraw/zinc/50/57/55/345505755.db2.gz FSHYEESAWIHSPV-SREVYHEPSA-N 0 0 240.100 2.494 10 30 BEEERN CC1CC(C(=O)NC2(C#N)CCCCC2)C1 ZINC000084755480 345523851 /nfs/dbraw/zinc/52/38/51/345523851.db2.gz GPACTNSPJXCVJG-UHFFFAOYSA-N 0 0 220.316 2.375 10 30 BEEERN CC(=NNC(N)=S)c1ccc2ccccc2c1 ZINC000252447840 345519399 /nfs/dbraw/zinc/51/93/99/345519399.db2.gz PMXAAMWMXCVPGX-UHFFFAOYSA-N 0 0 243.335 2.397 10 30 BEEERN Cc1cc(C(C)(C)C#N)cc(F)c1C(N)=O ZINC000114210218 345755627 /nfs/dbraw/zinc/75/56/27/345755627.db2.gz NKVVBTXSGCCNEK-UHFFFAOYSA-N 0 0 220.247 2.034 10 30 BEEERN N#Cc1nccc(OC(F)F)c1Cl ZINC000307544001 345809092 /nfs/dbraw/zinc/80/90/92/345809092.db2.gz FYAAETXBBHCEDF-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN COC(=O)c1cccc(C#Cc2ccccc2)n1 ZINC000168058848 345809171 /nfs/dbraw/zinc/80/91/71/345809171.db2.gz NYOPDPCNOYSXLT-UHFFFAOYSA-N 0 0 237.258 2.268 10 30 BEEERN CO/N=C(\Br)c1ccccc1 ZINC000140089149 345811100 /nfs/dbraw/zinc/81/11/00/345811100.db2.gz CQQAFTZPGGYSFT-NTMALXAHSA-N 0 0 214.062 2.390 10 30 BEEERN CCC(=NNC(=S)SC)c1ccccn1 ZINC000255987071 345765075 /nfs/dbraw/zinc/76/50/75/345765075.db2.gz MCLRNMXHSBDIJN-UHFFFAOYSA-N 0 0 239.369 2.433 10 30 BEEERN OC[C@@H](N=C(CF)CF)c1ccccc1 ZINC000135909168 345793690 /nfs/dbraw/zinc/79/36/90/345793690.db2.gz XRDPRGCECWMQAS-LLVKDONJSA-N 0 0 213.227 2.100 10 30 BEEERN CC(C)OC(=O)N1C=CC(=O)C[C@H]1C(C)C ZINC000141305787 345841725 /nfs/dbraw/zinc/84/17/25/345841725.db2.gz DUDXPSUNOWHZAA-NSHDSACASA-N 0 0 225.288 2.345 10 30 BEEERN S=C1S[C@H](S)NN1c1ccccc1 ZINC000142008573 345855180 /nfs/dbraw/zinc/85/51/80/345855180.db2.gz PPWXQUGJCBBMSJ-ZETCQYMHSA-N 0 0 228.367 2.243 10 30 BEEERN C=CCCC(=O)CP(=O)(OC)OC ZINC000034431049 345832654 /nfs/dbraw/zinc/83/26/54/345832654.db2.gz CHLJBYQPNBOHEH-UHFFFAOYSA-N 0 0 206.178 2.008 10 30 BEEERN C=CC(C)(C)C(=O)N1CCSC1=S ZINC000034426655 345832906 /nfs/dbraw/zinc/83/29/06/345832906.db2.gz MQSFKVDQFRNBKU-UHFFFAOYSA-N 0 0 215.343 2.059 10 30 BEEERN C=C1C(=O)O[C@@H]2C[C@@]3(C)C[C@@H](O)CC(=C)[C@@H]3C[C@H]12 ZINC000004098132 290762296 /nfs/dbraw/zinc/76/22/96/290762296.db2.gz OVIILQQKQPCQTF-GGAZOKNXSA-N 0 0 248.322 2.211 10 30 biogenic,in-vitro BEEERN CC(C)[C@]1(c2ccccc2)CO[S@@](=O)O1 ZINC000143273343 345897634 /nfs/dbraw/zinc/89/76/34/345897634.db2.gz YNZIBYNGWOSGIU-NHYWBVRUSA-N 0 0 226.297 2.163 10 30 BEEERN C[C@H]1C[C@H](C(=O)N(CC#N)CC#N)CC(C)(C)C1 ZINC000180623373 345925962 /nfs/dbraw/zinc/92/59/62/345925962.db2.gz XBMWMARYFCYBBC-RYUDHWBXSA-N 0 0 247.342 2.325 10 30 BEEERN CN(C)/C=C1\C(=O)CC[C@@H]1c1ccc(C#N)cc1 ZINC000144956887 345927740 /nfs/dbraw/zinc/92/77/40/345927740.db2.gz VKIZOBXSOCFXMS-JFBXQDQPSA-N 0 0 240.306 2.450 10 30 BEEERN Cc1cc(C#N)cc(N[C@@]2(C)CCCOC2)n1 ZINC000235827434 345937274 /nfs/dbraw/zinc/93/72/74/345937274.db2.gz NJRINGFLOBTGEV-ZDUSSCGKSA-N 0 0 231.299 2.243 10 30 BEEERN CCOC(=O)[C@H]1CCC(=O)C=C1C(F)(F)F ZINC000075898655 537932323 /nfs/dbraw/zinc/93/23/23/537932323.db2.gz QBRWPPHCYXMELT-ZETCQYMHSA-N 0 0 236.189 2.017 10 30 BEEERN C=CCN1C(=O)CC2(CCCCC2)CC1=O ZINC000095857049 346076475 /nfs/dbraw/zinc/07/64/75/346076475.db2.gz RYPJDUFMLQXIKJ-UHFFFAOYSA-N 0 0 221.300 2.272 10 30 BEEERN Cc1ccc2sc(NC(=O)CC#N)nc2c1 ZINC000034797480 178990987 /nfs/dbraw/zinc/99/09/87/178990987.db2.gz LTSGGROFFOTVFU-UHFFFAOYSA-N 0 0 231.280 2.457 10 30 BEEERN O[C@@H](CC#Cc1ccccc1)C(F)(F)F ZINC000136306100 346190192 /nfs/dbraw/zinc/19/01/92/346190192.db2.gz NIDBHZDDDOZMIM-JTQLQIEISA-N 0 0 214.186 2.351 10 30 BEEERN Cc1cccc(C(=O)N(CCC#N)C(C)C)c1N ZINC000036798135 179006238 /nfs/dbraw/zinc/00/62/38/179006238.db2.gz BMYJHLPKTMVWID-UHFFFAOYSA-N 0 0 245.326 2.342 10 30 BEEERN N/C(=N/O)c1ccc(Br)c(Cl)c1 ZINC000236319049 346224952 /nfs/dbraw/zinc/22/49/52/346224952.db2.gz HDWZDUKSIIRSCW-UHFFFAOYSA-N 0 0 249.495 2.197 10 30 BEEERN Cc1cccc(=O)n1Cc1ccc(C#N)cc1 ZINC000037670245 179003136 /nfs/dbraw/zinc/00/31/36/179003136.db2.gz PGSYNBOYUFBFGW-UHFFFAOYSA-N 0 0 224.263 2.077 10 30 BEEERN OCC#Cc1c(F)ccc(Br)c1F ZINC000236468466 346242733 /nfs/dbraw/zinc/24/27/33/346242733.db2.gz AORNSJSBCWVZDU-UHFFFAOYSA-N 0 0 247.038 2.071 10 30 BEEERN C#CC[C@H](O)c1ccoc1Br ZINC000236509243 346245418 /nfs/dbraw/zinc/24/54/18/346245418.db2.gz SLCOZZADYLIOEO-ZETCQYMHSA-N 0 0 215.046 2.099 10 30 BEEERN N#CC[C@H](O)c1cc(F)c(F)cc1F ZINC000236511607 346247296 /nfs/dbraw/zinc/24/72/96/346247296.db2.gz KIMPGVQJFWFGHB-VIFPVBQESA-N 0 0 201.147 2.051 10 30 BEEERN Cc1cc2ncn(CCC=O)c2cc1C ZINC000062542176 346279078 /nfs/dbraw/zinc/27/90/78/346279078.db2.gz BROSROTWTFEGOF-UHFFFAOYSA-N 0 0 202.257 2.242 10 30 BEEERN N#Cc1ccc(-c2cccc(C#N)c2)nc1 ZINC000034431035 346281656 /nfs/dbraw/zinc/28/16/56/346281656.db2.gz RORQPWVOVVXSHJ-UHFFFAOYSA-N 0 0 205.220 2.492 10 30 BEEERN Cc1nnc(S[C@@H]2CCC[C@H]2C#N)o1 ZINC000051038097 346298508 /nfs/dbraw/zinc/29/85/08/346298508.db2.gz FGFYHFUJCFHFGG-JGVFFNPUSA-N 0 0 209.274 2.162 10 30 BEEERN COC(=O)c1cc(CC#N)ccc1Cl ZINC000148866613 346504838 /nfs/dbraw/zinc/50/48/38/346504838.db2.gz JEKAKZYMKIAYFE-UHFFFAOYSA-N 0 0 209.632 2.193 10 30 BEEERN C[C@@H]1C[C@@H](OS(C)(=O)=O)CC(C)(C)C1 ZINC000163977494 346584973 /nfs/dbraw/zinc/58/49/73/346584973.db2.gz FUUVWDWLUGXHNY-RKDXNWHRSA-N 0 0 220.334 2.177 10 30 BEEERN COC1CCC(Br)(C#N)CC1 ZINC000164325660 346600584 /nfs/dbraw/zinc/60/05/84/346600584.db2.gz SWIKKGOISMWVFH-UHFFFAOYSA-N 0 0 218.094 2.233 10 30 BEEERN N#Cc1ccc(N2CC[C@H](C(F)F)C2)nc1 ZINC000588040565 346627742 /nfs/dbraw/zinc/62/77/42/346627742.db2.gz DHHREUNYITYSHU-VIFPVBQESA-N 0 0 223.226 2.045 10 30 BEEERN CN(C)/C=C/C(=O)c1ccnc2ccccc21 ZINC000168153273 346728367 /nfs/dbraw/zinc/72/83/67/346728367.db2.gz XKCNOOVSZSXEML-CSKARUKUSA-N 0 0 226.279 2.493 10 30 BEEERN C=C(C(=O)OCC)[C@H](O)c1cccc(C)c1C ZINC000019835382 187370175 /nfs/dbraw/zinc/37/01/75/187370175.db2.gz PIKUGEZAHIDVEB-ZDUSSCGKSA-N 0 0 234.295 2.456 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1cncc(F)c1 ZINC000309575148 347107146 /nfs/dbraw/zinc/10/71/46/347107146.db2.gz ONUOBWAEWUHPDF-PWSUYJOCSA-N 0 0 219.263 2.003 10 30 BEEERN N#C[C@@H](NC(=O)c1cc2ccccc2[nH]1)C1CC1 ZINC000108843041 347208379 /nfs/dbraw/zinc/20/83/79/347208379.db2.gz ZUTYGVHCRVVQMI-CYBMUJFWSA-N 0 0 239.278 2.200 10 30 BEEERN CCc1nc(C#N)cc(N[C@H](C)C(C)C)n1 ZINC000308300908 347237788 /nfs/dbraw/zinc/23/77/88/347237788.db2.gz KITPVTFYVVLYQE-SECBINFHSA-N 0 0 218.304 2.367 10 30 BEEERN N#CC1(C(=O)N2C[C@@H]3CCCCC[C@@H]32)CCC1 ZINC000378070785 136730731 /nfs/dbraw/zinc/73/07/31/136730731.db2.gz BGSKQHCTPHTWMU-RYUDHWBXSA-N 0 0 232.327 2.471 10 30 BEEERN C=CCCC(=O)Nc1cc(CCC)[nH]n1 ZINC000110848630 136731809 /nfs/dbraw/zinc/73/18/09/136731809.db2.gz HMTFENDLSNFAFN-UHFFFAOYSA-N 0 0 207.277 2.267 10 30 BEEERN C#CC[NH2+]Cc1ccc(Br)cc1 ZINC000019875339 347302809 /nfs/dbraw/zinc/30/28/09/347302809.db2.gz KQCOTFKKXIPUKC-UHFFFAOYSA-N 0 0 224.101 2.172 10 30 BEEERN Cc1ccccc1/N=C1/NC(=O)[C@@H](C)S1 ZINC000011637997 179244847 /nfs/dbraw/zinc/24/48/47/179244847.db2.gz GSKKSMBOFDEHPZ-MRVPVSSYSA-N 0 0 220.297 2.234 10 30 BEEERN Cc1ccccc1C(=O)CN(C)[C@@H](C)CC#N ZINC000063087413 179246301 /nfs/dbraw/zinc/24/63/01/179246301.db2.gz KQZRXVLGYIPAAE-LBPRGKRZSA-N 0 0 230.311 2.412 10 30 BEEERN CC1(C)O[C@H](c2ccccc2)[C@H](C#N)O1 ZINC000196248538 347844114 /nfs/dbraw/zinc/84/41/14/347844114.db2.gz ASRJZBPVKYWPOA-WDEREUQCSA-N 0 0 203.241 2.403 10 30 BEEERN Cc1ccccc1NC1(C#N)CCOCC1 ZINC000037938097 179302728 /nfs/dbraw/zinc/30/27/28/179302728.db2.gz IVQLFCWKZADXIM-UHFFFAOYSA-N 0 0 216.284 2.480 10 30 BEEERN C=CCCN1C(=O)CC2(CCCC2)CC1=O ZINC000196256934 347851680 /nfs/dbraw/zinc/85/16/80/347851680.db2.gz WVHXRVXAJVBMDH-UHFFFAOYSA-N 0 0 221.300 2.272 10 30 BEEERN Cc1ccccc1Oc1ccc(/C(N)=N/O)cn1 ZINC000019487457 179313890 /nfs/dbraw/zinc/31/38/90/179313890.db2.gz ZJVNQWXHOJKVEN-UHFFFAOYSA-N 0 0 243.266 2.277 10 30 BEEERN C=C[C@@H](O)C(F)(F)P(=O)(OCC)OCC ZINC000196491211 347910031 /nfs/dbraw/zinc/91/00/31/347910031.db2.gz QTMMFZFUOWHJDC-SSDOTTSWSA-N 0 0 244.174 2.392 10 30 BEEERN C[C@@H](C=O)Sc1ccc2c(c1)OCCO2 ZINC000616570879 348075699 /nfs/dbraw/zinc/07/56/99/348075699.db2.gz DQKIMKWCMNYHJP-QMMMGPOBSA-N 0 0 224.281 2.137 10 30 BEEERN CCN(CC)c1nc(C#N)ccc1Cl ZINC000669382473 537999439 /nfs/dbraw/zinc/99/94/39/537999439.db2.gz LMQDKRSXIUYWLQ-UHFFFAOYSA-N 0 0 209.680 2.453 10 30 BEEERN CC(C)[C@H]1CCCCC1=NNC(N)=S ZINC000251352247 362865753 /nfs/dbraw/zinc/86/57/53/362865753.db2.gz SRBHAIPRFOOJBY-MRVPVSSYSA-N 0 0 213.350 2.022 10 30 BEEERN Cc1cccnc1[C@H](C#N)C(=O)OC(C)(C)C ZINC000091353019 179398414 /nfs/dbraw/zinc/39/84/14/179398414.db2.gz HGHHYAFBRARZIR-JTQLQIEISA-N 0 0 232.283 2.339 10 30 BEEERN C#CC(=O)Nc1cc(Br)ccc1C ZINC000037369098 348364234 /nfs/dbraw/zinc/36/42/34/348364234.db2.gz GCQIUHHIJRJEBP-UHFFFAOYSA-N 0 0 238.084 2.329 10 30 BEEERN Fc1ccc(SC[C@@H]2CO2)cc1F ZINC000037380879 348390878 /nfs/dbraw/zinc/39/08/78/348390878.db2.gz WLFRBNYUQUPSAS-LURJTMIESA-N 0 0 202.225 2.456 10 30 BEEERN C=C[C@H]1CC(=O)N2[C@@H](c3ccccc3)OC[C@H]12 ZINC000197692336 348399053 /nfs/dbraw/zinc/39/90/53/348399053.db2.gz DTBVFDZGAWSRRF-ZKYQVNSYSA-N 0 0 229.279 2.119 10 30 BEEERN CCCc1nccnc1N(C)C[C@@H](C)C#N ZINC000596078509 348439468 /nfs/dbraw/zinc/43/94/68/348439468.db2.gz SCLRJZMTJVWJJT-JTQLQIEISA-N 0 0 218.304 2.025 10 30 BEEERN CC(C)c1nccnc1N1CC[C@@](C)(C#N)C1 ZINC000596532403 348569711 /nfs/dbraw/zinc/56/97/11/348569711.db2.gz SQWAISXAPJQTFQ-ZDUSSCGKSA-N 0 0 230.315 2.340 10 30 BEEERN CC(C)c1nccnc1N1CC[C@](C)(C#N)C1 ZINC000596532402 348569777 /nfs/dbraw/zinc/56/97/77/348569777.db2.gz SQWAISXAPJQTFQ-CYBMUJFWSA-N 0 0 230.315 2.340 10 30 BEEERN N#C[C@H]1OC12CC(OCc1ccccc1)C2 ZINC000669383648 538011410 /nfs/dbraw/zinc/01/14/10/538011410.db2.gz UFMUDHDSFIPMNK-OTTFEQOBSA-N 0 0 215.252 2.027 10 30 BEEERN C=CCN(C(=O)Cc1ccc(N)cc1)C(C)C ZINC000037817731 166309349 /nfs/dbraw/zinc/30/93/49/166309349.db2.gz DNGHFBADXYVRJS-UHFFFAOYSA-N 0 0 232.327 2.234 10 30 BEEERN C=CCOc1ccc2oc(=O)ccc2c1 ZINC000073336874 187425235 /nfs/dbraw/zinc/42/52/35/187425235.db2.gz SKCYGVFSCSKCJC-UHFFFAOYSA-N 0 0 202.209 2.358 10 30 BEEERN CC(=O)Nc1cccc([C@H](C)NC[C@H](C)C#N)c1 ZINC000037900819 187425552 /nfs/dbraw/zinc/42/55/52/187425552.db2.gz HJOMXMRXYMVVJQ-MNOVXSKESA-N 0 0 245.326 2.455 10 30 BEEERN COc1ccc([C@H](C#N)NCC(C)C)cc1O ZINC000037939119 187425648 /nfs/dbraw/zinc/42/56/48/187425648.db2.gz PRDQSSFNETYZQK-NSHDSACASA-N 0 0 234.299 2.211 10 30 BEEERN N#CCc1c(C=O)cccc1OC(F)(F)F ZINC000616576319 349100548 /nfs/dbraw/zinc/10/05/48/349100548.db2.gz MYIXNDDTYANYHP-UHFFFAOYSA-N 0 0 229.157 2.464 10 30 BEEERN Nc1ncncc1C#CCCCc1ccccc1 ZINC000616579660 349170005 /nfs/dbraw/zinc/17/00/05/349170005.db2.gz OJOWJGRXNXVLRN-UHFFFAOYSA-N 0 0 237.306 2.264 10 30 BEEERN N#CCc1ccc(N2C(=O)CCCCC2=O)cc1 ZINC000048347878 187434162 /nfs/dbraw/zinc/43/41/62/187434162.db2.gz FKPPMJQJOHHYTR-UHFFFAOYSA-N 0 0 242.278 2.186 10 30 BEEERN C[C@H](c1ccccc1)N1C[C@H](C#N)CC1=O ZINC000070492231 350015018 /nfs/dbraw/zinc/01/50/18/350015018.db2.gz UMZYYKKVBXDWPL-MNOVXSKESA-N 0 0 214.268 2.120 10 30 BEEERN N#Cc1c(F)cccc1N[C@@H]1CCC[C@H](O)C1 ZINC000603865742 350043839 /nfs/dbraw/zinc/04/38/39/350043839.db2.gz OFZTXCZHITXOKG-ZJUUUORDSA-N 0 0 234.274 2.413 10 30 BEEERN O=CC[C@H](O)c1ccc(Br)c(F)c1 ZINC000159410833 350112662 /nfs/dbraw/zinc/11/26/62/350112662.db2.gz WESWBXWNSRYLSS-VIFPVBQESA-N 0 0 247.063 2.211 10 30 BEEERN Cc1nc([C@@H](C)NC[C@@H](C)C#N)cs1 ZINC000054180876 180037118 /nfs/dbraw/zinc/03/71/18/180037118.db2.gz QUXNUKKKQSCVEZ-JGVFFNPUSA-N 0 0 209.318 2.262 10 30 BEEERN COC1(C(=O)C2=COCCC2)CCCC1 ZINC000128761040 350115213 /nfs/dbraw/zinc/11/52/13/350115213.db2.gz IIQONCJJQCFLDB-UHFFFAOYSA-N 0 0 210.273 2.209 10 30 BEEERN Cc1nc2c(cccc2OC[C@H]2CO2)s1 ZINC000204965886 180065684 /nfs/dbraw/zinc/06/56/84/180065684.db2.gz DGXUENWMEDEVEG-MRVPVSSYSA-N 0 0 221.281 2.382 10 30 BEEERN Cc1oc2ccccc2c1[C@@H](O)CC=O ZINC000159423859 350136478 /nfs/dbraw/zinc/13/64/78/350136478.db2.gz SPFCAJPCFYQBEP-JTQLQIEISA-N 0 0 204.225 2.364 10 30 BEEERN Cc1ccc([C@@H](O)CC=O)c(Br)c1 ZINC000159425740 350137478 /nfs/dbraw/zinc/13/74/78/350137478.db2.gz KDIMJECWRDCWQA-JTQLQIEISA-N 0 0 243.100 2.380 10 30 BEEERN Cn1ncc(Cl)c1C1=CC(=O)CCC1 ZINC000075865118 187444237 /nfs/dbraw/zinc/44/42/37/187444237.db2.gz UDNXQLBWCZAZTF-UHFFFAOYSA-N 0 0 210.664 2.210 10 30 BEEERN Cc1ncn(CC(=O)c2ccc(C#N)cc2)c1C ZINC000051927356 180285258 /nfs/dbraw/zinc/28/52/58/180285258.db2.gz TYWYNOWTMBMNTI-UHFFFAOYSA-N 0 0 239.278 2.255 10 30 BEEERN Cc1nn(-c2ccccc2)c(C)c1C#CCCO ZINC000037543704 180328579 /nfs/dbraw/zinc/32/85/79/180328579.db2.gz UUBDSXCAEQHFBC-UHFFFAOYSA-N 0 0 240.306 2.223 10 30 BEEERN CC[C@@H](C#N)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000328272789 350396078 /nfs/dbraw/zinc/39/60/78/350396078.db2.gz PZENLWSIHQXQPH-FZLVIXCJSA-N 0 0 246.354 2.477 10 30 BEEERN Cc1nn(C)c(N[C@@H](C)c2ccccn2)c1C#N ZINC000104316382 180360022 /nfs/dbraw/zinc/36/00/22/180360022.db2.gz RMJGMMJLRMMXIB-JTQLQIEISA-N 0 0 241.298 2.168 10 30 BEEERN Cc1nn(C)c(Oc2ccccc2C#N)c1C=O ZINC000020445160 180361234 /nfs/dbraw/zinc/36/12/34/180361234.db2.gz QMIDOCKTXMHJSR-UHFFFAOYSA-N 0 0 241.250 2.205 10 30 BEEERN C#CCn1nc(-c2ccncc2)c2c1CCC2 ZINC000409437156 350480349 /nfs/dbraw/zinc/48/03/49/350480349.db2.gz DXPFSFWDCNDNRU-UHFFFAOYSA-N 0 0 223.279 2.067 10 30 BEEERN C[C@H](CO)Sc1cc(F)cc(C#N)c1 ZINC000227639722 350504605 /nfs/dbraw/zinc/50/46/05/350504605.db2.gz UOMLWXSOCVNICV-SSDOTTSWSA-N 0 0 211.261 2.170 10 30 BEEERN COCCN(C)[C@H](C#N)c1ccc(Cl)cc1 ZINC000041281026 350616356 /nfs/dbraw/zinc/61/63/56/350616356.db2.gz GYUUYSRFGAFKHD-GFCCVEGCSA-N 0 0 238.718 2.483 10 30 BEEERN N#Cc1cnccc1N[C@H]1CCC[C@@H]1C#N ZINC000309498851 350614160 /nfs/dbraw/zinc/61/41/60/350614160.db2.gz KZPLBGDISSRYKO-KOLCDFICSA-N 0 0 212.256 2.057 10 30 BEEERN CCO/N=C/CC(=O)c1ccc(OC)cc1 ZINC000103160521 187460035 /nfs/dbraw/zinc/46/00/35/187460035.db2.gz JGWKHZOCLCPMLL-UKTHLTGXSA-N 0 0 221.256 2.290 10 30 BEEERN CCc1cnc(CN[C@@H]2CCC[C@H]2C#N)o1 ZINC000231646796 350632821 /nfs/dbraw/zinc/63/28/21/350632821.db2.gz PNETWQAOQDVNRY-GXSJLCMTSA-N 0 0 219.288 2.019 10 30 BEEERN C#CCN[C@@H](C#N)c1cccc(Br)c1 ZINC000051962848 350829284 /nfs/dbraw/zinc/82/92/84/350829284.db2.gz BMXQAOSVSZWYSW-NSHDSACASA-N 0 0 249.111 2.237 10 30 BEEERN C=CCNC(=O)Nc1ncc(Cl)s1 ZINC000306730755 350900193 /nfs/dbraw/zinc/90/01/93/350900193.db2.gz PUKCAPVKORBGDR-UHFFFAOYSA-N 0 0 217.681 2.104 10 30 BEEERN C#CCONc1ccc(C#N)cc1Cl ZINC000306722548 350889376 /nfs/dbraw/zinc/88/93/76/350889376.db2.gz FRMFLDJZSKVTFV-UHFFFAOYSA-N 0 0 206.632 2.188 10 30 BEEERN Cc1nnsc1C[C@]1(C=O)CCC[C@@H]1C ZINC000306722595 350890440 /nfs/dbraw/zinc/89/04/40/350890440.db2.gz FWYHUCXOBSERAH-KWQFWETISA-N 0 0 224.329 2.394 10 30 BEEERN Cc1nocc1CN[C@@H]1CCCC[C@H]1C#N ZINC000397880649 350985738 /nfs/dbraw/zinc/98/57/38/350985738.db2.gz MLIJLKSZDQBJQJ-CMPLNLGQSA-N 0 0 219.288 2.155 10 30 BEEERN C#Cc1cn2c(ccc(Br)c2C)n1 ZINC000159731912 350989077 /nfs/dbraw/zinc/98/90/77/350989077.db2.gz KCLCNMMUISJVMP-UHFFFAOYSA-N 0 0 235.084 2.387 10 30 BEEERN N#CCC(=O)c1coc(Br)c1 ZINC000306810478 351065292 /nfs/dbraw/zinc/06/52/92/351065292.db2.gz URJHVYVRZXSJRS-UHFFFAOYSA-N 0 0 214.018 2.138 10 30 BEEERN C[C@@H](CC#N)N(C)[C@@H]1CCCCCC1=O ZINC000063087583 351097774 /nfs/dbraw/zinc/09/77/74/351097774.db2.gz KAPCHTIBKIXPRR-WDEREUQCSA-N 0 0 208.305 2.122 10 30 BEEERN N#Cc1cccc([C@H]2CCCCN(C(N)=O)C2)c1 ZINC000616628579 351098416 /nfs/dbraw/zinc/09/84/16/351098416.db2.gz PCDSIXBMPZOJEB-ZDUSSCGKSA-N 0 0 243.310 2.206 10 30 BEEERN N#CCSc1nccn1-c1ccccc1 ZINC000057497313 191132680 /nfs/dbraw/zinc/13/26/80/191132680.db2.gz ZARPDPLOTPDTPU-UHFFFAOYSA-N 0 0 215.281 2.488 10 30 BEEERN Cc1ccc(C)c(CN(C)C(=O)CC#N)c1 ZINC000057497795 191132012 /nfs/dbraw/zinc/13/20/12/191132012.db2.gz RZHBEJJRVGLABA-UHFFFAOYSA-N 0 0 216.284 2.176 10 30 BEEERN N#Cc1cc(Br)c2c(c1)OCCO2 ZINC000034962594 351367469 /nfs/dbraw/zinc/36/74/69/351367469.db2.gz AFIAFZSDHJJIDI-UHFFFAOYSA-N 0 0 240.056 2.092 10 30 BEEERN C=C(Br)CN1CCC(=O)[C@H](C)[C@H]1C ZINC000168319358 351375998 /nfs/dbraw/zinc/37/59/98/351375998.db2.gz RQLJJAGYMGOYHU-RKDXNWHRSA-N 0 0 246.148 2.194 10 30 BEEERN N#Cc1cc(Br)cc(F)c1[N+](=O)[O-] ZINC000307022924 351427817 /nfs/dbraw/zinc/42/78/17/351427817.db2.gz DOIUUZAZFZXVDX-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN N#Cc1ccc(F)c(N)c1C(F)(F)F ZINC000307044399 351445768 /nfs/dbraw/zinc/44/57/68/351445768.db2.gz XEBMYVHPZULRHT-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN C#C[C@H](CC)Nc1cnc(Br)cn1 ZINC000307006516 351415719 /nfs/dbraw/zinc/41/57/19/351415719.db2.gz GDIFBSHSHDTXNC-SSDOTTSWSA-N 0 0 240.104 2.063 10 30 BEEERN c1ccc(C[N@@H+](C[C@@H]2CO2)C2CC2)cc1 ZINC000307075579 351464724 /nfs/dbraw/zinc/46/47/24/351464724.db2.gz KPRUFOWRPFWTAJ-CYBMUJFWSA-N 0 0 203.285 2.050 10 30 BEEERN C=C(C)CNc1nnc(C(F)F)s1 ZINC000307139569 351495453 /nfs/dbraw/zinc/49/54/53/351495453.db2.gz AQTWMYGGWUCIPK-UHFFFAOYSA-N 0 0 205.233 2.464 10 30 BEEERN N#Cc1cnc(OC(F)F)c(Cl)c1 ZINC000307165553 351531895 /nfs/dbraw/zinc/53/18/95/351531895.db2.gz NEXSMDPOLOACNV-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C[C@@H](N(C)C(=O)C#CBr)C(C)(C)C ZINC000307166347 351535164 /nfs/dbraw/zinc/53/51/64/351535164.db2.gz OUIWPHJBIGYOBK-MRVPVSSYSA-N 0 0 246.148 2.235 10 30 BEEERN O=C[C@@H]1CC[C@H](c2ncc(Cl)s2)O1 ZINC000307167223 351537157 /nfs/dbraw/zinc/53/71/57/351537157.db2.gz QZYKPYMIZUIYJL-NTSWFWBYSA-N 0 0 217.677 2.216 10 30 BEEERN C=C[C@@H](NN)c1cc(Br)cs1 ZINC000228942432 351547635 /nfs/dbraw/zinc/54/76/35/351547635.db2.gz WZCLMBLBOKNZCY-ZCFIWIBFSA-N 0 0 233.134 2.201 10 30 BEEERN N#Cc1ccnc(NC2CCC(F)(F)CC2)n1 ZINC000389991750 351572631 /nfs/dbraw/zinc/57/26/31/351572631.db2.gz FQFYSFVQWNZJHF-UHFFFAOYSA-N 0 0 238.241 2.338 10 30 BEEERN N#CCc1cn2ccc(Br)cc2n1 ZINC000082695065 187491938 /nfs/dbraw/zinc/49/19/38/187491938.db2.gz NKQUSRDRQNKFGN-UHFFFAOYSA-N 0 0 236.072 2.163 10 30 BEEERN C/C(=N/N)c1cc(Br)cc(C)c1O ZINC000307207896 351609471 /nfs/dbraw/zinc/60/94/71/351609471.db2.gz NNCWKSNDJPLSLM-SDQBBNPISA-N 0 0 243.104 2.146 10 30 BEEERN Cc1ccccc1COC1CC(C#N)(CO)C1 ZINC000606302119 351553473 /nfs/dbraw/zinc/55/34/73/351553473.db2.gz CMJLYWAZCCMNEV-UHFFFAOYSA-N 0 0 231.295 2.176 10 30 BEEERN C#Cc1ccc(OC[C@@H]2CC[C@@H]2C)nc1 ZINC000606302367 351555426 /nfs/dbraw/zinc/55/54/26/351555426.db2.gz MAWCMUYYVFPWHI-JQWIXIFHSA-N 0 0 201.269 2.488 10 30 BEEERN CCOC(=O)C1(C=O)CC(Cc2ccccc2)C1 ZINC000606302195 351556739 /nfs/dbraw/zinc/55/67/39/351556739.db2.gz HTQYCIVXVOIZTC-UHFFFAOYSA-N 0 0 246.306 2.388 10 30 BEEERN N#CC(C#N)=NNc1ccc(F)cc1Cl ZINC000606303652 351560527 /nfs/dbraw/zinc/56/05/27/351560527.db2.gz UXIOBWUOUZCEMF-UHFFFAOYSA-N 0 0 222.610 2.294 10 30 BEEERN C=CCN[C@H](C#N)c1ccc(OC)cc1 ZINC000020173454 187490116 /nfs/dbraw/zinc/49/01/16/187490116.db2.gz KXILSKNAJYLZHC-GFCCVEGCSA-N 0 0 202.257 2.035 10 30 BEEERN CC(C)C[C@@H]1CCCN1c1cnc(C#N)cn1 ZINC000123075604 187499867 /nfs/dbraw/zinc/49/98/67/187499867.db2.gz YKOQMUFJUOOJQK-LBPRGKRZSA-N 0 0 230.315 2.363 10 30 BEEERN C#C[C@@H](C)NC(=S)Nc1ccsc1 ZINC000307292550 351902981 /nfs/dbraw/zinc/90/29/81/351902981.db2.gz BRJCUHXNKGURED-SSDOTTSWSA-N 0 0 210.327 2.056 10 30 BEEERN N#Cc1cc(OC(F)F)cc(Br)n1 ZINC000307309880 351952516 /nfs/dbraw/zinc/95/25/16/351952516.db2.gz XZZFWUONESXXQX-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN CC[C@@H](S)C(=O)N1CCS[C@@H](C)CC1 ZINC000307311553 351987484 /nfs/dbraw/zinc/98/74/84/351987484.db2.gz ALQKEOJQAPONMA-DTWKUNHWSA-N 0 0 233.402 2.049 10 30 BEEERN CC[C@H](S)C(=O)N1CCS[C@H](C)CC1 ZINC000307311551 351987516 /nfs/dbraw/zinc/98/75/16/351987516.db2.gz ALQKEOJQAPONMA-BDAKNGLRSA-N 0 0 233.402 2.049 10 30 BEEERN Cn1cc([C@@H](C#N)Nc2ccc(F)cc2)cn1 ZINC000037935908 180663933 /nfs/dbraw/zinc/66/39/33/180663933.db2.gz MDHAICCGBDBHKZ-GFCCVEGCSA-N 0 0 230.246 2.236 10 30 BEEERN N#Cc1nccc2c(Br)c[nH]c21 ZINC000044713196 352384395 /nfs/dbraw/zinc/38/43/95/352384395.db2.gz OSKDHDYEPIIDNC-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN CC[C@H](C#N)C(=O)N(C)Cc1ccc(F)cc1 ZINC000044824238 352436075 /nfs/dbraw/zinc/43/60/75/352436075.db2.gz NCTLBMVUXFFVPB-LLVKDONJSA-N 0 0 234.274 2.334 10 30 BEEERN C=CCNc1ncc(Br)c(C)n1 ZINC000307375194 352474626 /nfs/dbraw/zinc/47/46/26/352474626.db2.gz UICAFFJSVBHWNW-UHFFFAOYSA-N 0 0 228.093 2.145 10 30 BEEERN C=C(Cl)COC1CCC2(CC1)OCCO2 ZINC000164140352 352558702 /nfs/dbraw/zinc/55/87/02/352558702.db2.gz NXLXOAULBNEGMI-UHFFFAOYSA-N 0 0 232.707 2.441 10 30 BEEERN Cc1cncc(NC(=O)CCCS)c1 ZINC000307414319 352588833 /nfs/dbraw/zinc/58/88/33/352588833.db2.gz SXZMRSJTHHJXKL-UHFFFAOYSA-N 0 0 210.302 2.039 10 30 BEEERN Cc1ccc(C#N)cc1OC[C@]1(C)CO1 ZINC000232317887 352618843 /nfs/dbraw/zinc/61/88/43/352618843.db2.gz CQPKEODBDJNJHH-GFCCVEGCSA-N 0 0 203.241 2.034 10 30 BEEERN N#Cc1csc(CNc2cnns2)c1 ZINC000232291187 352607391 /nfs/dbraw/zinc/60/73/91/352607391.db2.gz KFSOLNXMSAFIDU-UHFFFAOYSA-N 0 0 222.298 2.083 10 30 BEEERN O=C(Cc1csnn1)C1=CCCCC1 ZINC000307405196 352580761 /nfs/dbraw/zinc/58/07/61/352580761.db2.gz JTOPHIVMFSNNSB-UHFFFAOYSA-N 0 0 208.286 2.150 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1c(Cl)nsc1C#N ZINC000307540041 352643999 /nfs/dbraw/zinc/64/39/99/352643999.db2.gz QVWITDHECAALKE-UHNVWZDZSA-N 0 0 213.693 2.488 10 30 BEEERN C[C@H]1C[C@H]1Nc1c(Cl)nsc1C#N ZINC000307540039 352644088 /nfs/dbraw/zinc/64/40/88/352644088.db2.gz QVWITDHECAALKE-CRCLSJGQSA-N 0 0 213.693 2.488 10 30 BEEERN COc1ccc([C@@H](C#N)N2CCCC2)cc1O ZINC000037355613 187769341 /nfs/dbraw/zinc/76/93/41/187769341.db2.gz BZQNPNRVDLBVLR-LLVKDONJSA-N 0 0 232.283 2.061 10 30 BEEERN C[C@]1(c2nccs2)CC[C@H](CC#N)O1 ZINC000307573566 352658202 /nfs/dbraw/zinc/65/82/02/352658202.db2.gz FUYXSUDSGNZMNK-PSASIEDQSA-N 0 0 208.286 2.451 10 30 BEEERN C#C[C@@H](O)c1cc(F)c(F)cc1Br ZINC000307594766 352664633 /nfs/dbraw/zinc/66/46/33/352664633.db2.gz KORXISMPDMEQNQ-SECBINFHSA-N 0 0 247.038 2.394 10 30 BEEERN N#Cc1cc(F)cc(C(=O)Nc2ccccn2)c1 ZINC000058468693 187783075 /nfs/dbraw/zinc/78/30/75/187783075.db2.gz QSQNDNOCUDDTAZ-UHFFFAOYSA-N 0 0 241.225 2.345 10 30 in-vivo BEEERN CC(=O)O[C@@H](C)[C@](C)(C#N)c1ccccc1 ZINC000062721648 187785131 /nfs/dbraw/zinc/78/51/31/187785131.db2.gz WPSQVLQXKXVLCM-GWCFXTLKSA-N 0 0 217.268 2.419 10 30 BEEERN CC(C)(C)OC(=O)N1C[C@@H]2CC(C#N)C[C@H]2C1 ZINC000084324908 187797039 /nfs/dbraw/zinc/79/70/39/187797039.db2.gz XCKUDHFIGYWWMJ-QWRGUYRKSA-N 0 0 236.315 2.403 10 30 BEEERN CC(C)OCCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000336745479 352731387 /nfs/dbraw/zinc/73/13/87/352731387.db2.gz BDCPWTMOZWEOBU-NWDGAFQWSA-N 0 0 210.321 2.083 10 30 BEEERN N#Cc1cnc(N2CCC23CCCCC3)cn1 ZINC000365457709 187830917 /nfs/dbraw/zinc/83/09/17/187830917.db2.gz CYHGYJJHDOZZCG-UHFFFAOYSA-N 0 0 228.299 2.261 10 30 BEEERN C[C@@H](NC(=O)C#CBr)C1CCCC1 ZINC000307662314 352748283 /nfs/dbraw/zinc/74/82/83/352748283.db2.gz HNGUHCQJXDRWHI-MRVPVSSYSA-N 0 0 244.132 2.037 10 30 BEEERN N#CCc1c(F)cc(O)cc1Br ZINC000306163532 352985997 /nfs/dbraw/zinc/98/59/97/352985997.db2.gz AEKMHENOELGBPP-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN O=C(CCCS)Nc1ccc(F)cc1 ZINC000307693410 352962130 /nfs/dbraw/zinc/96/21/30/352962130.db2.gz WUYUBCPBBQCCLH-UHFFFAOYSA-N 0 0 213.277 2.474 10 30 BEEERN CCn1ccnc1C1=CC(=O)C[C@@H](C)C1 ZINC000307055927 353052066 /nfs/dbraw/zinc/05/20/66/353052066.db2.gz ZNGZAYZJIXZYOE-VIFPVBQESA-N 0 0 204.273 2.285 10 30 BEEERN C=C(Cl)CNc1ncnc(Cl)c1OC ZINC000229315655 353109719 /nfs/dbraw/zinc/10/97/19/353109719.db2.gz TXTQMSMCZUDTBF-UHFFFAOYSA-N 0 0 234.086 2.303 10 30 BEEERN O=C(NO)c1ncc(Cl)c(Cl)c1Cl ZINC000307680059 353092448 /nfs/dbraw/zinc/09/24/48/353092448.db2.gz NWSNLJHRQAORJO-UHFFFAOYSA-N 0 0 241.461 2.161 10 30 BEEERN N#Cc1cc(Cl)ccc1-n1cccn1 ZINC000052859778 353117181 /nfs/dbraw/zinc/11/71/81/353117181.db2.gz HNGHWZGHNLFBMT-UHFFFAOYSA-N 0 0 203.632 2.397 10 30 BEEERN O=CC[C@H](O)c1csc(Br)c1 ZINC000307752873 353129199 /nfs/dbraw/zinc/12/91/99/353129199.db2.gz UDEIJYVJROBTCK-LURJTMIESA-N 0 0 235.102 2.133 10 30 BEEERN C#CCNc1cc(C)cnc1Br ZINC000307759356 353131075 /nfs/dbraw/zinc/13/10/75/353131075.db2.gz RKHASGLZMVWTQZ-UHFFFAOYSA-N 0 0 225.089 2.198 10 30 BEEERN C=CCc1c(C)c2ccc(O)cc2[nH]c1=O ZINC000034578941 188060599 /nfs/dbraw/zinc/06/05/99/188060599.db2.gz FFHGESHMFRJJMB-UHFFFAOYSA-N 0 0 215.252 2.271 10 30 BEEERN C=CC[C@H](C)Nc1nc(C)nc(C)c1F ZINC000336760867 353172526 /nfs/dbraw/zinc/17/25/26/353172526.db2.gz MMSVSMVTAKBRJH-ZETCQYMHSA-N 0 0 209.268 2.031 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329721484 538109431 /nfs/dbraw/zinc/10/94/31/538109431.db2.gz DYEOHJTZPZEKEL-MRBYEJRBSA-N 0 0 234.299 2.062 10 30 BEEERN OCCCC#Cc1ccc2ccccc2n1 ZINC000125920359 353195267 /nfs/dbraw/zinc/19/52/67/353195267.db2.gz HGWSRHCWLTVPFC-UHFFFAOYSA-N 0 0 211.264 2.359 10 30 BEEERN CC(C)(C)c1ccccc1OCC/C(N)=N/O ZINC000019473550 188107952 /nfs/dbraw/zinc/10/79/52/188107952.db2.gz FHCOQGIDJXVBCI-UHFFFAOYSA-N 0 0 236.315 2.499 10 30 BEEERN CC(C)N(CCC#N)C(=O)c1ccc(F)c(N)c1 ZINC000036798182 188112144 /nfs/dbraw/zinc/11/21/44/188112144.db2.gz ZVPMHMFAXLRIMB-UHFFFAOYSA-N 0 0 249.289 2.172 10 30 BEEERN CC(C)N(CCC#N)C(=O)Nc1ccc(N)cc1 ZINC000042530092 188120300 /nfs/dbraw/zinc/12/03/00/188120300.db2.gz LGBSNJPOEJAZKC-UHFFFAOYSA-N 0 0 246.314 2.425 10 30 BEEERN CC(C)N(CCC#N)Cc1ccc([N+](=O)[O-])o1 ZINC000042530683 188120935 /nfs/dbraw/zinc/12/09/35/188120935.db2.gz YQOUINIZHAPFFV-UHFFFAOYSA-N 0 0 237.259 2.312 10 30 BEEERN Cc1nc(C)c([C@@H](C)N[C@@H](C)C#N)s1 ZINC000043515265 188122192 /nfs/dbraw/zinc/12/21/92/188122192.db2.gz OEYXIXGUJODAEP-NKWVEPMBSA-N 0 0 209.318 2.323 10 30 BEEERN N#Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000091978935 188145042 /nfs/dbraw/zinc/14/50/42/188145042.db2.gz SQVCGWBYPWWOBA-UONOGXRCSA-N 0 0 246.310 2.295 10 30 BEEERN C[C@@H](CC#N)C(=O)Nc1ccc(C#N)cc1 ZINC000049815326 188153402 /nfs/dbraw/zinc/15/34/02/188153402.db2.gz PGLZDVVQWJELIP-VIFPVBQESA-N 0 0 213.240 2.047 10 30 BEEERN C[C@@]1(C(=O)Nc2ccc(F)cc2C#N)CCCO1 ZINC000119378511 188154242 /nfs/dbraw/zinc/15/42/42/188154242.db2.gz KRDFMBZUFHEXTC-ZDUSSCGKSA-N 0 0 248.257 2.205 10 30 BEEERN CC(=O)Nc1ccc([C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000095934868 188148136 /nfs/dbraw/zinc/14/81/36/188148136.db2.gz BARXMUDXRCAMLP-ZETCQYMHSA-N 0 0 233.227 2.180 10 30 BEEERN C=CCCCN(C)C(=O)c1cccc(O)c1O ZINC000126557411 353250187 /nfs/dbraw/zinc/25/01/87/353250187.db2.gz AQRVQZSJIYMAKN-UHFFFAOYSA-N 0 0 235.283 2.136 10 30 BEEERN COc1ccc([C@@H](C#N)NC(C)C)cc1 ZINC000020173446 188175767 /nfs/dbraw/zinc/17/57/67/188175767.db2.gz KMZGIMMNSFZOGW-GFCCVEGCSA-N 0 0 204.273 2.258 10 30 BEEERN CNC(=S)[C@@]1(c2ccccn2)CCCO1 ZINC000026734729 188180179 /nfs/dbraw/zinc/18/01/79/188180179.db2.gz QGNOTTIQUOVMCT-NSHDSACASA-N 0 0 222.313 2.045 10 30 BEEERN C[C@H](Nc1cnc(C#N)cn1)C(C)(C)C ZINC000122777701 188187493 /nfs/dbraw/zinc/18/74/93/188187493.db2.gz ASZSHPRIBYTORF-QMMMGPOBSA-N 0 0 204.277 2.195 10 30 BEEERN CC(C)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000119574327 188215738 /nfs/dbraw/zinc/21/57/38/188215738.db2.gz WPWKNCHZISAUTC-NSHDSACASA-N 0 0 246.310 2.192 10 30 BEEERN C#Cc1cccc(NC(=O)CCOCCC)c1 ZINC000054435879 188221776 /nfs/dbraw/zinc/22/17/76/188221776.db2.gz BFXHWTBZPQKVDO-UHFFFAOYSA-N 0 0 231.295 2.423 10 30 BEEERN COC(=O)C#Cc1ccc(F)cc1Cl ZINC000070835170 353261280 /nfs/dbraw/zinc/26/12/80/353261280.db2.gz FHEDXFBGVTVWON-UHFFFAOYSA-N 0 0 212.607 2.004 10 30 BEEERN Cc1noc(C)c1CN[C@@H]1CCC[C@H]1C#N ZINC000070797524 353262634 /nfs/dbraw/zinc/26/26/34/353262634.db2.gz RVQFOXOOAIDZPH-CMPLNLGQSA-N 0 0 219.288 2.073 10 30 BEEERN CC(C)[C@](C)(C#N)NC(=O)Cc1ccccc1 ZINC000060054308 324021949 /nfs/dbraw/zinc/02/19/49/324021949.db2.gz JHHAZQNMYOLBJI-AWEZNQCLSA-N 0 0 230.311 2.284 10 30 BEEERN C#CC(=O)c1cc(Br)ccc1F ZINC000165314316 353297134 /nfs/dbraw/zinc/29/71/34/353297134.db2.gz NBOTZJTWMKOFNO-UHFFFAOYSA-N 0 0 227.032 2.404 10 30 BEEERN C#CC[C@H](O)[C@H]1Cc2ccccc2S1 ZINC000162202230 353307142 /nfs/dbraw/zinc/30/71/42/353307142.db2.gz AFKJJVACIBXIRW-CMPLNLGQSA-N 0 0 204.294 2.088 10 30 BEEERN CC(C)[C@@H](S)C(=O)N1CCC(C)(C)C1 ZINC000232742266 353320538 /nfs/dbraw/zinc/32/05/38/353320538.db2.gz DLLWXCMQPYETAH-SECBINFHSA-N 0 0 215.362 2.199 10 30 BEEERN OCC#Cc1cc2cccc(Cl)c2o1 ZINC000131797156 353376740 /nfs/dbraw/zinc/37/67/40/353376740.db2.gz LUIOEZVMFJQIRP-UHFFFAOYSA-N 0 0 206.628 2.430 10 30 BEEERN C=CCCCN1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190781476 353416298 /nfs/dbraw/zinc/41/62/98/353416298.db2.gz ZRHQWIURSFGOQI-AWEZNQCLSA-N 0 0 249.358 2.243 10 30 BEEERN C[C@H]1CN(CC#Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000134076392 353457796 /nfs/dbraw/zinc/45/77/96/353457796.db2.gz HPGSOCHCPIQCKC-STQMWFEESA-N 0 0 247.313 2.286 10 30 BEEERN C=CCCCN(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000134379908 353494732 /nfs/dbraw/zinc/49/47/32/353494732.db2.gz JFNWTNTVSXHBNC-NSHDSACASA-N 0 0 247.342 2.254 10 30 BEEERN CC/C=C/C(=O)c1c(Br)cnn1C ZINC000232797613 353484486 /nfs/dbraw/zinc/48/44/86/353484486.db2.gz PZRWYUNGUMABMP-SNAWJCMRSA-N 0 0 243.104 2.332 10 30 BEEERN C[C@@H]1CN(CC#Cc2ccccc2)C[C@@H](C)O1 ZINC000191870151 353514733 /nfs/dbraw/zinc/51/47/33/353514733.db2.gz PGKIFOGIHFGLBV-ZIAGYGMSSA-N 0 0 229.323 2.147 10 30 BEEERN C[C@H]1CN(CC#Cc2ccccc2)C[C@H](C)O1 ZINC000191870139 353515012 /nfs/dbraw/zinc/51/50/12/353515012.db2.gz PGKIFOGIHFGLBV-KBPBESRZSA-N 0 0 229.323 2.147 10 30 BEEERN C=CCCCN(C)C(=O)c1cc(C)on1 ZINC000135093257 353525427 /nfs/dbraw/zinc/52/54/27/353525427.db2.gz DOKVGBWHZZTSRQ-UHFFFAOYSA-N 0 0 208.261 2.021 10 30 BEEERN C=CCCCN(C)C(=O)c1cc(C)no1 ZINC000135098184 353526689 /nfs/dbraw/zinc/52/66/89/353526689.db2.gz KGLHPWTXMJODQB-UHFFFAOYSA-N 0 0 208.261 2.021 10 30 BEEERN C=C(C(=O)OC)[C@H](O)c1ccc(CC)cc1 ZINC000019835285 188414497 /nfs/dbraw/zinc/41/44/97/188414497.db2.gz OYWUULWTILIWDB-LBPRGKRZSA-N 0 0 220.268 2.012 10 30 BEEERN CC[C@@H](CC#N)NC(=O)C[C@H](C)C(C)C ZINC000183909251 353590856 /nfs/dbraw/zinc/59/08/56/353590856.db2.gz ALYMXVIXLCGJKG-QWRGUYRKSA-N 0 0 210.321 2.477 10 30 BEEERN C=CCCCN(C)C(=O)c1cc(CC)n[nH]1 ZINC000135663044 353568032 /nfs/dbraw/zinc/56/80/32/353568032.db2.gz KKKNIVCKVFIHJL-UHFFFAOYSA-N 0 0 221.304 2.010 10 30 BEEERN ON=C1CCN(c2nc3ccccc3o2)CC1 ZINC000038074664 188473234 /nfs/dbraw/zinc/47/32/34/188473234.db2.gz KWNBYDGNTQOZQX-UHFFFAOYSA-N 0 0 231.255 2.258 10 30 BEEERN CC(C)N(CCC#N)c1ccc(N)cc1C#N ZINC000042528886 188478134 /nfs/dbraw/zinc/47/81/34/188478134.db2.gz CWKKATAOYJVTJO-UHFFFAOYSA-N 0 0 228.299 2.269 10 30 BEEERN C=C(C)C(=O)c1ccc(OC)cc1OC ZINC000071509979 188469959 /nfs/dbraw/zinc/46/99/59/188469959.db2.gz VRBDQZCYRPKRQV-UHFFFAOYSA-N 0 0 206.241 2.463 10 30 BEEERN CCCn1cc(C#N)c(=O)c2cc(F)ccc21 ZINC000072237014 188489306 /nfs/dbraw/zinc/48/93/06/188489306.db2.gz BDAPKFWVUHSYAR-UHFFFAOYSA-N 0 0 230.242 2.422 10 30 BEEERN C=CCC(=O)Nc1cccnc1Br ZINC000232455147 353723258 /nfs/dbraw/zinc/72/32/58/353723258.db2.gz LDSLFBXFAFAVLM-UHFFFAOYSA-N 0 0 241.088 2.359 10 30 BEEERN N#CCCN(CCn1cccn1)c1ccccc1 ZINC000049314534 188481739 /nfs/dbraw/zinc/48/17/39/188481739.db2.gz ZQIDLCCDOIUXTK-UHFFFAOYSA-N 0 0 240.310 2.303 10 30 BEEERN C[C@H]1CC(=NNC(N)=S)CC(C)(C)C1 ZINC000252446868 363254710 /nfs/dbraw/zinc/25/47/10/363254710.db2.gz CDOKQVYLOIAOCF-ZETCQYMHSA-N 0 0 213.350 2.022 10 30 BEEERN Cc1c(C#N)cccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000178372437 366117380 /nfs/dbraw/zinc/11/73/80/366117380.db2.gz SWGANIAAIXYAAB-TVQRCGJNSA-N 0 0 244.294 2.373 10 30 BEEERN N#CC1(NC[C@@H]2CCCO2)CCCCCC1 ZINC000037939990 181030800 /nfs/dbraw/zinc/03/08/00/181030800.db2.gz UEKXNRXNHSEHNV-LBPRGKRZSA-N 0 0 222.332 2.372 10 30 BEEERN N#CC1(NC(=O)c2cscn2)CCCCCC1 ZINC000062357262 181030918 /nfs/dbraw/zinc/03/09/18/181030918.db2.gz GBUXTCMPFIZEPN-UHFFFAOYSA-N 0 0 249.339 2.489 10 30 BEEERN N#CC1(NC(=O)[C@@H]2C[C@H]2c2ccco2)CCCC1 ZINC000127506344 181029584 /nfs/dbraw/zinc/02/95/84/181029584.db2.gz QHLSBTFXQZTZGC-GHMZBOCLSA-N 0 0 244.294 2.336 10 30 BEEERN N#CC1(NC(=O)Cc2ccccc2F)CCCC1 ZINC000040215110 181029717 /nfs/dbraw/zinc/02/97/17/181029717.db2.gz SNHZUBRBJCDAQR-UHFFFAOYSA-N 0 0 246.285 2.321 10 30 BEEERN N#CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000051632482 181033932 /nfs/dbraw/zinc/03/39/32/181033932.db2.gz KWRLMKGHOYJGSD-LBPRGKRZSA-N 0 0 214.268 2.094 10 30 BEEERN N#CCC(=O)c1ccccc1OC(F)F ZINC000019427836 181034816 /nfs/dbraw/zinc/03/48/16/181034816.db2.gz GNOQAQXIQNZMTM-UHFFFAOYSA-N 0 0 211.167 2.384 10 30 BEEERN N#CCc1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000001620667 181047269 /nfs/dbraw/zinc/04/72/69/181047269.db2.gz GLEFBYIVFCNNOK-UHFFFAOYSA-N 0 0 201.185 2.142 10 30 BEEERN N#CC[C@H](O)Cc1c(F)cccc1Cl ZINC000041227208 181045737 /nfs/dbraw/zinc/04/57/37/181045737.db2.gz BSWWQZREMOIGJR-ZETCQYMHSA-N 0 0 213.639 2.296 10 30 BEEERN N#CC[C@H](NC[C@H](O)C1CC1)c1ccccc1 ZINC000071304876 181045757 /nfs/dbraw/zinc/04/57/57/181045757.db2.gz UDMFOCPUYMWTGV-KBPBESRZSA-N 0 0 230.311 2.002 10 30 BEEERN N#CC[C@@](C#N)(c1ccccc1)c1cnccn1 ZINC000005488747 181046240 /nfs/dbraw/zinc/04/62/40/181046240.db2.gz OAYLSFHTIGQKRV-CQSZACIVSA-N 0 0 234.262 2.200 10 30 BEEERN N#CC[C@H]1NCCc2cccc(Cl)c21 ZINC000083661215 181046717 /nfs/dbraw/zinc/04/67/17/181046717.db2.gz NTOHZZLLTYNDEJ-SNVBAGLBSA-N 0 0 206.676 2.440 10 30 BEEERN N#CCc1noc(-c2ccc3[nH]ccc3c2)n1 ZINC000073641496 181050702 /nfs/dbraw/zinc/05/07/02/181050702.db2.gz MIOTWNBSVXILRB-UHFFFAOYSA-N 0 0 224.223 2.284 10 30 BEEERN N#CCc1noc(-c2nccc3ccccc32)n1 ZINC000073641483 181050914 /nfs/dbraw/zinc/05/09/14/181050914.db2.gz XMQCBDZPQMCNTR-UHFFFAOYSA-N 0 0 236.234 2.351 10 30 BEEERN N#CCc1noc(C2(c3ccccc3)CC2)n1 ZINC000073641463 181051115 /nfs/dbraw/zinc/05/11/15/181051115.db2.gz FRTMATUBXYNNHU-UHFFFAOYSA-N 0 0 225.251 2.216 10 30 BEEERN N#CNC(=NC1CCCCC1)Nc1cccnc1 ZINC000026576616 181052969 /nfs/dbraw/zinc/05/29/69/181052969.db2.gz AMIPMYBJQDRKHK-UHFFFAOYSA-N 0 0 243.314 2.253 10 30 BEEERN N#C[C@@H](CN1CCCC1)c1cccs1 ZINC000041215244 181054700 /nfs/dbraw/zinc/05/47/00/181054700.db2.gz LIFDXUVTRWBVGU-JTQLQIEISA-N 0 0 206.314 2.451 10 30 BEEERN N#C[C@@H](N)c1ccccc1OC(F)(F)F ZINC000022171388 181056636 /nfs/dbraw/zinc/05/66/36/181056636.db2.gz CDCRIOCAWGGVSJ-SSDOTTSWSA-N 0 0 216.162 2.109 10 30 BEEERN N#CCc1cc(O)ccc1Br ZINC000083593230 181048176 /nfs/dbraw/zinc/04/81/76/181048176.db2.gz VZPKXBHIMFEPNJ-UHFFFAOYSA-N 0 0 212.046 2.221 10 30 BEEERN N#C[C@@H](NCc1ccccc1)c1cccnc1 ZINC000019985919 181057168 /nfs/dbraw/zinc/05/71/68/181057168.db2.gz LNHZTSNEPUAYFD-CQSZACIVSA-N 0 0 223.279 2.436 10 30 BEEERN N#C[C@H](N)CCSc1cc(F)ccc1F ZINC000062456573 181064846 /nfs/dbraw/zinc/06/48/46/181064846.db2.gz XTEMTKASDXNXOJ-MRVPVSSYSA-N 0 0 228.267 2.298 10 30 BEEERN N#C[C@H](N)c1ccc(Br)cc1F ZINC000036670331 181065074 /nfs/dbraw/zinc/06/50/74/181065074.db2.gz XAAKACFEZUYMQE-QMMMGPOBSA-N 0 0 229.052 2.112 10 30 BEEERN N#C[C@H](NCCCO)c1c(F)cccc1Cl ZINC000020175211 181065554 /nfs/dbraw/zinc/06/55/54/181065554.db2.gz GVWABHNENQDGRH-JTQLQIEISA-N 0 0 242.681 2.016 10 30 BEEERN N#C[C@H](Nc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000037935778 181066315 /nfs/dbraw/zinc/06/63/15/181066315.db2.gz RDCZTEFCEPWTJB-SKDRFNHKSA-N 0 0 220.247 2.166 10 30 BEEERN N#C[C@H](NC[C@@H]1CCCO1)c1ccsc1 ZINC000037939865 181066326 /nfs/dbraw/zinc/06/63/26/181066326.db2.gz VDQMVIQKVDSMSD-QWRGUYRKSA-N 0 0 222.313 2.081 10 30 BEEERN N#C[C@H](c1ccc2c(c1)OCO2)N1CCCC1 ZINC000019934697 181066807 /nfs/dbraw/zinc/06/68/07/181066807.db2.gz AXNHBGUUQZQXLN-LLVKDONJSA-N 0 0 230.267 2.076 10 30 BEEERN N#CC1=C(N)CCN(Cc2ccccc2)C1 ZINC000100358134 181060917 /nfs/dbraw/zinc/06/09/17/181060917.db2.gz QSSWMSRTOGQASW-GFCCVEGCSA-N 0 0 213.284 2.052 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000054825511 181060938 /nfs/dbraw/zinc/06/09/38/181060938.db2.gz XWGXFAJJTQKKQI-WCQYABFASA-N 0 0 245.282 2.377 10 30 BEEERN N#C[C@@]1(Nc2cccc(F)c2)CCN(C2CC2)C1 ZINC000061990890 181062446 /nfs/dbraw/zinc/06/24/46/181062446.db2.gz AAUPOLFKRGVZDU-AWEZNQCLSA-N 0 0 245.301 2.368 10 30 BEEERN N#C[C@H](C(=O)[C@H]1CCCOC1)c1ccccc1F ZINC000062236165 181063138 /nfs/dbraw/zinc/06/31/38/181063138.db2.gz CRQSPPGTRYYQBD-JQWIXIFHSA-N 0 0 247.269 2.429 10 30 BEEERN N#Cc1n[nH]c2cccc(C(F)(F)F)c12 ZINC000089195786 181071603 /nfs/dbraw/zinc/07/16/03/181071603.db2.gz HWCLGALDSKDNNQ-UHFFFAOYSA-N 0 0 211.146 2.453 10 30 BEEERN N#C[C@]1(Nc2cccc(F)c2)CCN(C2CC2)C1 ZINC000061990891 181071619 /nfs/dbraw/zinc/07/16/19/181071619.db2.gz AAUPOLFKRGVZDU-CQSZACIVSA-N 0 0 245.301 2.368 10 30 BEEERN N#C[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000011894094 181068285 /nfs/dbraw/zinc/06/82/85/181068285.db2.gz IWGPQSGVHYEJEV-SNVBAGLBSA-N 0 0 206.289 2.081 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000061892535 181068832 /nfs/dbraw/zinc/06/88/32/181068832.db2.gz PZBOAHROCBIZQW-KGLIPLIRSA-N 0 0 242.322 2.403 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000336415290 181070077 /nfs/dbraw/zinc/07/00/77/181070077.db2.gz SKYUTBSJRLBVGU-VXNVDRBHSA-N 0 0 237.690 2.090 10 30 BEEERN N#Cc1cc(-c2ccco2)nc(Cl)n1 ZINC000032010599 181081799 /nfs/dbraw/zinc/08/17/99/181081799.db2.gz WIPYZYAWCMDBGC-UHFFFAOYSA-N 0 0 205.604 2.262 10 30 BEEERN N#Cc1c(F)cccc1N[C@H]1CCC[C@H]1O ZINC000037690216 181075682 /nfs/dbraw/zinc/07/56/82/181075682.db2.gz FTZKBMVCNXLCBE-NWDGAFQWSA-N 0 0 220.247 2.023 10 30 BEEERN N#Cc1c(N)nsc1Nc1ccccc1 ZINC000022200258 181078270 /nfs/dbraw/zinc/07/82/70/181078270.db2.gz WELCWRQPHDYPND-UHFFFAOYSA-N 0 0 216.269 2.341 10 30 BEEERN N#Cc1c(Cl)c(Cl)ccc1NC=O ZINC000000165688 181078543 /nfs/dbraw/zinc/07/85/43/181078543.db2.gz ZSDSQAQSTLVBQS-UHFFFAOYSA-N 0 0 215.039 2.433 10 30 BEEERN N#Cc1cc(Br)c(Cl)cn1 ZINC000238510288 181081374 /nfs/dbraw/zinc/08/13/74/181081374.db2.gz KKIODOZFQRPYFT-UHFFFAOYSA-N 0 0 217.453 2.369 10 30 BEEERN N#Cc1cc(CNc2cncnc2)ccc1F ZINC000083355902 181085484 /nfs/dbraw/zinc/08/54/84/181085484.db2.gz OENDERVMOKDFKM-UHFFFAOYSA-N 0 0 228.230 2.099 10 30 BEEERN N#Cc1cc(CNc2cnns2)ccc1F ZINC000083360714 181086412 /nfs/dbraw/zinc/08/64/12/181086412.db2.gz MSIXDLBUKSNYQU-UHFFFAOYSA-N 0 0 234.259 2.161 10 30 BEEERN N#Cc1cc(Cl)cnc1Br ZINC000095831030 181087274 /nfs/dbraw/zinc/08/72/74/181087274.db2.gz OFSKXYROHCSOBC-UHFFFAOYSA-N 0 0 217.453 2.369 10 30 BEEERN N#CCCCCN1CCCC[C@@H]1c1nc[nH]n1 ZINC000121640326 358484904 /nfs/dbraw/zinc/48/49/04/358484904.db2.gz MEMHBYVDWUWKRA-LLVKDONJSA-N 0 0 233.319 2.026 10 30 BEEERN N#Cc1cc(F)ccc1NC[C@H]1CCC[C@H]1O ZINC000089167110 181088239 /nfs/dbraw/zinc/08/82/39/181088239.db2.gz VNHGXXAEWGAHMG-NOZJJQNGSA-N 0 0 234.274 2.270 10 30 BEEERN N#Cc1cc2cccc(Cl)c2[nH]c1=O ZINC000011956358 181094162 /nfs/dbraw/zinc/09/41/62/181094162.db2.gz DONAWIQHZARZKD-UHFFFAOYSA-N 0 0 204.616 2.053 10 30 BEEERN N#Cc1cc(N)cnc1NCC1CCCC1 ZINC000037759066 181089003 /nfs/dbraw/zinc/08/90/03/181089003.db2.gz YSJXQZYULHSRFJ-UHFFFAOYSA-N 0 0 216.288 2.138 10 30 BEEERN N#Cc1cc(N)ccc1Oc1ncccc1F ZINC000054700975 181089387 /nfs/dbraw/zinc/08/93/87/181089387.db2.gz VCTCKFQKZPEXMF-UHFFFAOYSA-N 0 0 229.214 2.467 10 30 BEEERN N#Cc1cc2c(nc1N)-c1ccccc1OC2 ZINC000050871254 181092976 /nfs/dbraw/zinc/09/29/76/181092976.db2.gz NQEKDVZOYPCBON-UHFFFAOYSA-N 0 0 223.235 2.095 10 30 BEEERN N#Cc1cc2c(cncc2Br)[nH]1 ZINC000095830306 181093241 /nfs/dbraw/zinc/09/32/41/181093241.db2.gz FHCKFHVLAHNYFA-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN N#Cc1ccc(C(=O)Nc2ccccc2N)cc1 ZINC000022218590 181101774 /nfs/dbraw/zinc/10/17/74/181101774.db2.gz XYJRCZUSPNSHHQ-UHFFFAOYSA-N 0 0 237.262 2.393 10 30 BEEERN N#Cc1ccc(C[C@H]2COCC[C@H]2S)cc1 ZINC000095078959 181110952 /nfs/dbraw/zinc/11/09/52/181110952.db2.gz NLJZLAJWCNBYTB-QWHCGFSZSA-N 0 0 233.336 2.436 10 30 BEEERN N#Cc1ccc(F)c(-c2ccc(O)cn2)c1 ZINC000065355770 181113061 /nfs/dbraw/zinc/11/30/61/181113061.db2.gz ZVABLJFUPCJOAK-UHFFFAOYSA-N 0 0 214.199 2.465 10 30 BEEERN N#Cc1ccc(N)c(NC2CCCC2)c1 ZINC000039118791 181114359 /nfs/dbraw/zinc/11/43/59/181114359.db2.gz VQBRGQVSELSRHK-UHFFFAOYSA-N 0 0 201.273 2.495 10 30 BEEERN N#Cc1ccc(N2CCCC[C@@H](CO)C2)cc1 ZINC000371062584 181115692 /nfs/dbraw/zinc/11/56/92/181115692.db2.gz KBYAYPBPKFRQCT-CYBMUJFWSA-N 0 0 230.311 2.157 10 30 BEEERN N#Cc1ccc(N2CC[C@@H]3CCCC[C@H]32)nn1 ZINC000302001105 181116481 /nfs/dbraw/zinc/11/64/81/181116481.db2.gz QHVKQPZXPYFSQU-CMPLNLGQSA-N 0 0 228.299 2.117 10 30 BEEERN N#Cc1ccc(N2C[C@@H]3CC=CC[C@H]3C2)cn1 ZINC000301564975 181116783 /nfs/dbraw/zinc/11/67/83/181116783.db2.gz PQXZXZKNGOXCMD-RYUDHWBXSA-N 0 0 225.295 2.356 10 30 BEEERN C[C@H]1SCC[C@]1(O)c1ccc(C#N)cc1 ZINC000521401165 259455189 /nfs/dbraw/zinc/45/51/89/259455189.db2.gz GIHQSMBRHPRBIZ-BXKDBHETSA-N 0 0 219.309 2.271 10 30 BEEERN N#Cc1ccc(NCc2cscn2)nc1 ZINC000050932879 181124858 /nfs/dbraw/zinc/12/48/58/181124858.db2.gz HDLHFRAEKSTJGH-UHFFFAOYSA-N 0 0 216.269 2.022 10 30 BEEERN N#Cc1ccc(N[C@@H]2C[C@H]2CO)cc1Cl ZINC000334148818 181125479 /nfs/dbraw/zinc/12/54/79/181125479.db2.gz GREMSLCPRNRCOX-GZMMTYOYSA-N 0 0 222.675 2.004 10 30 BEEERN N#Cc1ccc(Nc2ccc3c(c2)OCO3)nc1 ZINC000014202636 181126823 /nfs/dbraw/zinc/12/68/23/181126823.db2.gz SQXSEMJCOGCGQW-UHFFFAOYSA-N 0 0 239.234 2.426 10 30 BEEERN CCCCCOc1ccccc1/C(N)=N\O ZINC000019476088 168730761 /nfs/dbraw/zinc/73/07/61/168730761.db2.gz KNZDEASCECRVCA-UHFFFAOYSA-N 0 0 222.288 2.350 10 30 BEEERN N#Cc1ccc([C@@H](C#N)N2CCCC2)cc1 ZINC000037355488 181130455 /nfs/dbraw/zinc/13/04/55/181130455.db2.gz KPQAXZADOAHIDS-CYBMUJFWSA-N 0 0 211.268 2.219 10 30 BEEERN N#Cc1ccc([C@H]2CCc3cncn32)cc1 ZINC000013820317 181130457 /nfs/dbraw/zinc/13/04/57/181130457.db2.gz OFLKLQLYJBMZHE-CYBMUJFWSA-N 0 0 209.252 2.290 10 30 BEEERN N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCOC2)c1 ZINC000130670116 181131303 /nfs/dbraw/zinc/13/13/03/181131303.db2.gz CIXYEYZQAYPOFA-JTQLQIEISA-N 0 0 247.254 2.057 10 30 BEEERN N#Cc1cccc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000054825641 181138342 /nfs/dbraw/zinc/13/83/42/181138342.db2.gz JTZVTPRAMPJBBC-ZIAGYGMSSA-N 0 0 225.295 2.340 10 30 BEEERN N#Cc1cccc(NC[C@@H]2CCCO2)c1 ZINC000020051407 181141596 /nfs/dbraw/zinc/14/15/96/181141596.db2.gz IJSKPCFNWRADBF-LBPRGKRZSA-N 0 0 202.257 2.149 10 30 BEEERN N#Cc1cccc(O[C@@H]2CCCC[C@H]2O)c1 ZINC000037691612 181143423 /nfs/dbraw/zinc/14/34/23/181143423.db2.gz SEISQONNRWDHFQ-CHWSQXEVSA-N 0 0 217.268 2.241 10 30 BEEERN N#Cc1cccc(Oc2ccncc2N)c1 ZINC000020370800 181143656 /nfs/dbraw/zinc/14/36/56/181143656.db2.gz ZQFRFVBRHHFQFG-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1ccccc1COc1cccnc1N ZINC000026515105 181147378 /nfs/dbraw/zinc/14/73/78/181147378.db2.gz PXGQVCZYHLYZIQ-UHFFFAOYSA-N 0 0 225.251 2.114 10 30 BEEERN N#Cc1ccccc1Oc1ncccc1N ZINC000019272778 181149965 /nfs/dbraw/zinc/14/99/65/181149965.db2.gz SFTNTMYBPRZMFL-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1ccnc(N2CC[C@H](C3CCCC3)C2)n1 ZINC000333721825 181155889 /nfs/dbraw/zinc/15/58/89/181155889.db2.gz UTTBXFNARCHWOK-LBPRGKRZSA-N 0 0 242.326 2.365 10 30 BEEERN N#Cc1ccnc(N2C[C@H]3CCCC[C@H]32)c1 ZINC000368182133 181155816 /nfs/dbraw/zinc/15/58/16/181155816.db2.gz CDHFKIMKYHDSOA-VXGBXAGGSA-N 0 0 213.284 2.332 10 30 BEEERN N#Cc1cnc(Nc2ccc3c(c2)COC3)cn1 ZINC000128882184 181163925 /nfs/dbraw/zinc/16/39/25/181163925.db2.gz FBTDBURLGXRKOO-UHFFFAOYSA-N 0 0 238.250 2.122 10 30 BEEERN N#Cc1cnc(N[C@@H]2CCc3ccccc32)cn1 ZINC000133037996 181163144 /nfs/dbraw/zinc/16/31/44/181163144.db2.gz PHEKKZKAZRHMNR-CYBMUJFWSA-N 0 0 236.278 2.448 10 30 BEEERN N#Cc1nccc2[nH]cc(Br)c21 ZINC000014986203 181170234 /nfs/dbraw/zinc/17/02/34/181170234.db2.gz UBNCCIDMDSHYSA-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN N#Cc1nc(-c2ccc(F)c(F)c2)oc1N ZINC000077331536 181166777 /nfs/dbraw/zinc/16/67/77/181166777.db2.gz ITDCPODEXHNALI-UHFFFAOYSA-N 0 0 221.166 2.074 10 30 BEEERN N#Cc1nc(NCCC2CC2)ccc1[N+](=O)[O-] ZINC000236420395 181168335 /nfs/dbraw/zinc/16/83/35/181168335.db2.gz MVLCQLZQGSOUCJ-UHFFFAOYSA-N 0 0 232.243 2.073 10 30 BEEERN N#Cc1nccnc1N1C[C@H]2CCCCC[C@H]21 ZINC000374191123 181174048 /nfs/dbraw/zinc/17/40/48/181174048.db2.gz YCSHKUOYRCMFJX-ZYHUDNBSSA-N 0 0 228.299 2.117 10 30 BEEERN N#Cc1nccnc1N1C[C@H]2CCCCC[C@@H]21 ZINC000374191122 181174090 /nfs/dbraw/zinc/17/40/90/181174090.db2.gz YCSHKUOYRCMFJX-PWSUYJOCSA-N 0 0 228.299 2.117 10 30 BEEERN N#Cc1nccnc1N[C@H]1C[C@H]1c1ccccc1 ZINC000054378170 181174996 /nfs/dbraw/zinc/17/49/96/181174996.db2.gz SWIJVNFVEMESCT-RYUDHWBXSA-N 0 0 236.278 2.316 10 30 BEEERN N/C(=N/O)c1cc(Oc2ccccc2F)ccn1 ZINC000061813890 181180129 /nfs/dbraw/zinc/18/01/29/181180129.db2.gz PUNCARABQZUXFT-UHFFFAOYSA-N 0 0 247.229 2.108 10 30 BEEERN N=C(Nc1ccc(N)cc1)c1cccs1 ZINC000013487047 181180380 /nfs/dbraw/zinc/18/03/80/181180380.db2.gz YSZFAWMKXUKNOR-UHFFFAOYSA-N 0 0 217.297 2.367 10 30 BEEERN N/C(=N\O)c1ccc(Oc2ccccc2F)nc1 ZINC000019431238 181181617 /nfs/dbraw/zinc/18/16/17/181181617.db2.gz GSVGNQSIBSXYEF-UHFFFAOYSA-N 0 0 247.229 2.108 10 30 BEEERN N/C(CCCCOc1ccc(F)c(F)c1)=N/O ZINC000049580489 181182500 /nfs/dbraw/zinc/18/25/00/181182500.db2.gz BRQDIHXGMDDLMK-UHFFFAOYSA-N 0 0 244.241 2.260 10 30 BEEERN N/C(CCOc1cccc(C(F)(F)F)c1)=N\O ZINC000019841375 181182770 /nfs/dbraw/zinc/18/27/70/181182770.db2.gz RZPXRTPKBSSIOD-UHFFFAOYSA-N 0 0 248.204 2.221 10 30 BEEERN C1CC(=NO[C@H]2CCCCO2)CS1 ZINC000308346270 355364590 /nfs/dbraw/zinc/36/45/90/355364590.db2.gz VQDSKTPAETZEDI-VIFPVBQESA-N 0 0 201.291 2.023 10 30 BEEERN CC1=C(C)CN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000335784585 355433127 /nfs/dbraw/zinc/43/31/27/355433127.db2.gz JKGIWTFSYDGPJE-QWHCGFSZSA-N 0 0 247.342 2.430 10 30 BEEERN NC(=S)NN=Cc1ccc(C(F)(F)F)cc1 ZINC000033306328 181206464 /nfs/dbraw/zinc/20/64/64/181206464.db2.gz UBFGBNPTIDPPMR-RZNTYIFUSA-N 0 0 247.245 2.493 10 30 BEEERN COc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)cn1 ZINC000329471172 355924752 /nfs/dbraw/zinc/92/47/52/355924752.db2.gz YTUNJDAELCMEII-GXSJLCMTSA-N 0 0 247.298 2.120 10 30 BEEERN C=C(C)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000016623641 355889761 /nfs/dbraw/zinc/88/97/61/355889761.db2.gz RNQGTVSOIRLMFA-AWEZNQCLSA-N 0 0 244.294 2.030 10 30 BEEERN C#C[C@H](Cc1ccc(Cl)c(Cl)c1)NN ZINC000168542748 356109378 /nfs/dbraw/zinc/10/93/78/356109378.db2.gz JSSXXWSNLHYWQG-MRVPVSSYSA-N 0 0 229.110 2.001 10 30 BEEERN Cc1noc(C)c1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000329931640 356145802 /nfs/dbraw/zinc/14/58/02/356145802.db2.gz PCFOGSSZWDNOJK-ZJUUUORDSA-N 0 0 235.287 2.321 10 30 BEEERN C=C(Cl)CNc1ncc(Cl)cc1N ZINC000168167822 356493974 /nfs/dbraw/zinc/49/39/74/356493974.db2.gz JHUDDNXPLWIXNF-UHFFFAOYSA-N 0 0 218.087 2.482 10 30 BEEERN COCc1ccc(CN[C@H]2CCC[C@H]2C#N)o1 ZINC000350388121 366276280 /nfs/dbraw/zinc/27/62/80/366276280.db2.gz GROOHAIRCCEFGM-GWCFXTLKSA-N 0 0 234.299 2.208 10 30 BEEERN N#Cc1nc2cc(Cl)c([N+](=O)[O-])cc2o1 ZINC000675058154 538480939 /nfs/dbraw/zinc/48/09/39/538480939.db2.gz VBWYEZZQOUCTAM-UHFFFAOYSA-N 0 0 223.575 2.261 10 30 BEEERN CC[C@H]1CCc2c(C#N)c(N)ncc2C1 ZINC000675063846 538490561 /nfs/dbraw/zinc/49/05/61/538490561.db2.gz PXJONMNRXFGUHM-QMMMGPOBSA-N 0 0 201.273 2.050 10 30 BEEERN C[C@@H]1C[C@H](C)Cc2cnc(N)c(C#N)c21 ZINC000675063885 538490886 /nfs/dbraw/zinc/49/08/86/538490886.db2.gz RSTJBELHCXBMPR-JGVFFNPUSA-N 0 0 201.273 2.221 10 30 BEEERN Cc1c(F)ccc2cc(C#N)c(=O)[nH]c12 ZINC000675068044 538495718 /nfs/dbraw/zinc/49/57/18/538495718.db2.gz RBENWACXNBIOMO-UHFFFAOYSA-N 0 0 202.188 2.260 10 30 BEEERN Cc1cc(C#CC(=O)OC(C)(C)C)ccc1N ZINC000675077261 538512121 /nfs/dbraw/zinc/51/21/21/538512121.db2.gz BQLUHUQEPUCQQY-UHFFFAOYSA-N 0 0 231.295 2.270 10 30 BEEERN CC[C@H](C)C[C@]1(CC)O[C@H]1C(=O)OC ZINC000084324219 538530559 /nfs/dbraw/zinc/53/05/59/538530559.db2.gz UHNLBGLJJVRXEI-QXEWZRGKSA-N 0 0 200.278 2.143 10 30 BEEERN CCOC(=O)[C@@H]1O[C@@]12CCC[C@H](CC)C2 ZINC000084324862 538533171 /nfs/dbraw/zinc/53/31/71/538533171.db2.gz XANGDHGFAHSFPT-JBLDHEPKSA-N 0 0 212.289 2.287 10 30 BEEERN COC(=O)[C@H]1O[C@]12CCCC21CCCCC1 ZINC000312996156 538572290 /nfs/dbraw/zinc/57/22/90/538572290.db2.gz RSLJORHLYKLZMC-ZWNOBZJWSA-N 0 0 224.300 2.431 10 30 BEEERN CCn1ccnc1CN[C@@H]1CCCC[C@H]1C#N ZINC000385257176 357034352 /nfs/dbraw/zinc/03/43/52/357034352.db2.gz XBAWUUDPTMFJGU-NWDGAFQWSA-N 0 0 232.331 2.075 10 30 BEEERN C=C[C@@H](O)c1ccc(Br)cn1 ZINC000129979643 357105733 /nfs/dbraw/zinc/10/57/33/357105733.db2.gz KAECFEPMDKKEBM-MRVPVSSYSA-N 0 0 214.062 2.064 10 30 BEEERN C#CCC(=O)[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300022373 357172747 /nfs/dbraw/zinc/17/27/47/357172747.db2.gz ACCGTDSDEQAZIH-NRPADANISA-N 0 0 214.355 2.204 10 30 BEEERN CCN1c2ccccc2[C@H](CC#N)C1=O ZINC000026509802 357162267 /nfs/dbraw/zinc/16/22/67/357162267.db2.gz ZAFRTIVQJBUYQK-JTQLQIEISA-N 0 0 200.241 2.050 10 30 BEEERN C[C@H](C#N)Cn1ccc(C(F)(F)F)n1 ZINC000026545188 357174072 /nfs/dbraw/zinc/17/40/72/357174072.db2.gz VRBAYOBNXHDDAQ-ZCFIWIBFSA-N 0 0 203.167 2.062 10 30 BEEERN Cc1nn(C[C@H](C)C#N)c(C)c1Br ZINC000026545163 357174270 /nfs/dbraw/zinc/17/42/70/357174270.db2.gz UBLHXMZIXGMCQH-ZCFIWIBFSA-N 0 0 242.120 2.422 10 30 BEEERN CC#CC[C@H](O)c1ccc(Br)o1 ZINC000169081514 357263745 /nfs/dbraw/zinc/26/37/45/357263745.db2.gz RMOMKGQMBMERSL-ZETCQYMHSA-N 0 0 229.073 2.489 10 30 BEEERN C=CCO[C@H](C=C)[C@@H](C=C)OC(=O)OCC ZINC000218028957 357267293 /nfs/dbraw/zinc/26/72/93/357267293.db2.gz HASPWSKXGATKJH-GHMZBOCLSA-N 0 0 226.272 2.471 10 30 BEEERN CCN(CCC#N)c1ccc(F)cc1N ZINC000042450583 169816413 /nfs/dbraw/zinc/81/64/13/169816413.db2.gz UUGNWVCJSPIDTJ-UHFFFAOYSA-N 0 0 207.252 2.148 10 30 BEEERN Cc1nc(CN[C@H]2CCC[C@H]2C#N)oc1C ZINC000231655019 357616612 /nfs/dbraw/zinc/61/66/12/357616612.db2.gz DJMRPEKAUOJDCZ-QWRGUYRKSA-N 0 0 219.288 2.073 10 30 BEEERN CC#CCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000120907132 134230622 /nfs/dbraw/zinc/23/06/22/134230622.db2.gz DGLULUAWTLDKTF-STQMWFEESA-N 0 0 219.328 2.342 10 30 BEEERN Cc1cc(C(=O)N[C@@H](C)C#N)c(Cl)cc1F ZINC000123212727 134243391 /nfs/dbraw/zinc/24/33/91/134243391.db2.gz NVGOMCWNJSIOHO-ZETCQYMHSA-N 0 0 240.665 2.429 10 30 BEEERN C=CC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000038302040 358144998 /nfs/dbraw/zinc/14/49/98/358144998.db2.gz PMSGRGFRMIJFSX-GFCCVEGCSA-N 0 0 208.257 2.313 10 30 BEEERN CCOC(=O)/C(C)=N\c1ccc(OC)cc1 ZINC000584611455 358275546 /nfs/dbraw/zinc/27/55/46/358275546.db2.gz IBDDXQLQOYAOIO-LCYFTJDESA-N 0 0 221.256 2.351 10 30 BEEERN OC1(C#Cc2nccnc2Cl)CCCCC1 ZINC000584612762 358276466 /nfs/dbraw/zinc/27/64/66/358276466.db2.gz KLNJBRLNXSPEFO-UHFFFAOYSA-N 0 0 236.702 2.177 10 30 BEEERN COCOc1ccc(C#CBr)cc1 ZINC000584613040 358277021 /nfs/dbraw/zinc/27/70/21/358277021.db2.gz ODBRAPGXMZBBQC-UHFFFAOYSA-N 0 0 241.084 2.373 10 30 BEEERN C=C(C#Cc1ccc([N+](=O)[O-])cc1)COC ZINC000584613576 358278177 /nfs/dbraw/zinc/27/81/77/358278177.db2.gz XALXBWIQEIVVRG-UHFFFAOYSA-N 0 0 217.224 2.149 10 30 BEEERN CCOC(=O)[C@](C#N)(CC)c1cccc(OC)c1 ZINC000584595637 358253101 /nfs/dbraw/zinc/25/31/01/358253101.db2.gz UXURFHUGPXKDQG-AWEZNQCLSA-N 0 0 247.294 2.430 10 30 BEEERN Cc1ccc([C@@H](O)C/N=C/c2ccc[nH]2)cc1 ZINC000584596148 358253858 /nfs/dbraw/zinc/25/38/58/358253858.db2.gz SQBOZJLGJUZFFM-AHSSXEFNSA-N 0 0 228.295 2.476 10 30 BEEERN C=CC[C@@H](O)c1cccc(C(=O)OC)c1 ZINC000584597493 358255007 /nfs/dbraw/zinc/25/50/07/358255007.db2.gz QXECIIOTHWTDPE-LLVKDONJSA-N 0 0 206.241 2.083 10 30 BEEERN O=CC[C@H]1C[C@H](NC(=O)OCc2ccccc2)C1 ZINC000584600941 358257679 /nfs/dbraw/zinc/25/76/79/358257679.db2.gz VZSWJPUKBQQGQS-JOCQHMNTSA-N 0 0 247.294 2.280 10 30 BEEERN C/C=C/[C@H](CCOS(C)(=O)=O)C(C)C ZINC000584608463 358269282 /nfs/dbraw/zinc/26/92/82/358269282.db2.gz XSJHNCTWUXSLGV-BRAIEQGRSA-N 0 0 220.334 2.201 10 30 BEEERN COc1ccc([C@H](C)[C@H](C)O)c(C#N)c1 ZINC000584608770 358269348 /nfs/dbraw/zinc/26/93/48/358269348.db2.gz FKCOBAOESKUGSI-BDAKNGLRSA-N 0 0 205.257 2.051 10 30 BEEERN COC(=O)/C(C)=C/c1cccc(C#N)c1 ZINC000584609831 358271725 /nfs/dbraw/zinc/27/17/25/358271725.db2.gz BRHDWXPIJABXKE-RMKNXTFCSA-N 0 0 201.225 2.135 10 30 BEEERN C=C[C@@]1(c2ccc(F)cc2F)COCO1 ZINC000584610592 358273838 /nfs/dbraw/zinc/27/38/38/358273838.db2.gz NDSDRLBEUNETGZ-NSHDSACASA-N 0 0 212.195 2.350 10 30 BEEERN Cc1ccccc1C#CS(=O)(=O)C(F)(F)F ZINC000584619768 358286321 /nfs/dbraw/zinc/28/63/21/358286321.db2.gz ADYZAJAQKZMLBS-UHFFFAOYSA-N 0 0 248.225 2.239 10 30 BEEERN C=CCc1ccccc1C(=O)N(C)OC ZINC000584624033 358291740 /nfs/dbraw/zinc/29/17/40/358291740.db2.gz UNXKGMSFISRCOC-UHFFFAOYSA-N 0 0 205.257 2.049 10 30 BEEERN CCN(CC)C(=O)C#CC#Cc1ccc(F)cc1 ZINC000584624098 358291980 /nfs/dbraw/zinc/29/19/80/358291980.db2.gz SLPVLQSDDGKGGP-UHFFFAOYSA-N 0 0 243.281 2.049 10 30 BEEERN O=C(/C=C/c1ccc(O)c(O)c1)c1ccccn1 ZINC000584627653 358297120 /nfs/dbraw/zinc/29/71/20/358297120.db2.gz OHKXJIBZDKEIKE-GQCTYLIASA-N 0 0 241.246 2.389 10 30 BEEERN COC(=O)c1nc2ccccc2cc1CC#N ZINC000584629397 358298368 /nfs/dbraw/zinc/29/83/68/358298368.db2.gz GACVDOXKYKBHCS-UHFFFAOYSA-N 0 0 226.235 2.087 10 30 BEEERN N#Cc1ccc(-c2nnn3ccccc23)cc1 ZINC000584629796 358298995 /nfs/dbraw/zinc/29/89/95/358298995.db2.gz ARYWPJGEMGMKJN-UHFFFAOYSA-N 0 0 220.235 2.268 10 30 BEEERN N/N=C(/CC(F)(F)F)c1ccccc1 ZINC000584630126 358299656 /nfs/dbraw/zinc/29/96/56/358299656.db2.gz KQJAPJGKTYWIOI-ZSOIEALJSA-N 0 0 202.179 2.302 10 30 BEEERN C[C@H](C#N)N(C)C(=O)N(C)c1cccc(F)c1 ZINC000584630035 358299694 /nfs/dbraw/zinc/29/96/94/358299694.db2.gz GKIFVKGMXBHLFG-SECBINFHSA-N 0 0 235.262 2.226 10 30 BEEERN CC(=O)OC/C=C1/C(=O)C(C)=C(C)[C@H]1C ZINC000584657529 358309322 /nfs/dbraw/zinc/30/93/22/358309322.db2.gz XYMLFQDEGYKUDD-ITXLNXHTSA-N 0 0 208.257 2.031 10 30 BEEERN CC(=O)OC/C=C1/C(=O)C(C)=C(C)[C@@H]1C ZINC000584657530 358309364 /nfs/dbraw/zinc/30/93/64/358309364.db2.gz XYMLFQDEGYKUDD-UASDCXGESA-N 0 0 208.257 2.031 10 30 BEEERN COc1ccc(CCCC(=O)C#N)c(OC)c1 ZINC000584660805 358311878 /nfs/dbraw/zinc/31/18/78/358311878.db2.gz DTWZWCFETFYMTC-UHFFFAOYSA-N 0 0 233.267 2.119 10 30 BEEERN CC(C)(CCc1ccc(O)cc1)C(=O)C#N ZINC000584661851 358312672 /nfs/dbraw/zinc/31/26/72/358312672.db2.gz ZPZFUPQEBBATQQ-UHFFFAOYSA-N 0 0 217.268 2.444 10 30 BEEERN CC[C@H]1COC(c2ccc(C#N)cc2)=N1 ZINC000584634452 358318355 /nfs/dbraw/zinc/31/83/55/358318355.db2.gz BQHIIGFFZINGDW-NSHDSACASA-N 0 0 200.241 2.114 10 30 BEEERN C=CC[C@@H](Cc1ccncc1)C(=O)OCC ZINC000584637391 358322833 /nfs/dbraw/zinc/32/28/33/358322833.db2.gz UZPPZFVTKFRLCV-LBPRGKRZSA-N 0 0 219.284 2.380 10 30 BEEERN CC(C)C(=O)N[C@@H](C#N)c1ccccc1 ZINC000044289590 358406814 /nfs/dbraw/zinc/40/68/14/358406814.db2.gz RCZRJKFBJGIKEF-NSHDSACASA-N 0 0 202.257 2.023 10 30 BEEERN C=CCC(=O)c1cc(OC)cc(OC)c1 ZINC000100400207 358420842 /nfs/dbraw/zinc/42/08/42/358420842.db2.gz FWLCPJCFFFKCFG-UHFFFAOYSA-N 0 0 206.241 2.463 10 30 BEEERN C=CCCCN(C)C(=O)Cc1ccoc1 ZINC000125474277 358540082 /nfs/dbraw/zinc/54/00/82/358540082.db2.gz LPEHFTNAIAXYON-UHFFFAOYSA-N 0 0 207.273 2.247 10 30 BEEERN N#CCCCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000127586148 358564079 /nfs/dbraw/zinc/56/40/79/358564079.db2.gz PGLPNBJKNSAVPX-AWEZNQCLSA-N 0 0 246.310 2.069 10 30 BEEERN C=CCCCN(C)c1cc(OCC)ncn1 ZINC000125123487 358534252 /nfs/dbraw/zinc/53/42/52/358534252.db2.gz FMEYRGCJBQOJSA-UHFFFAOYSA-N 0 0 221.304 2.278 10 30 BEEERN Cc1cnccc1CN[C@@H]1CCC[C@H]1C#N ZINC000129769893 358595782 /nfs/dbraw/zinc/59/57/82/358595782.db2.gz PNEQWGHJVHLXMO-WCQYABFASA-N 0 0 215.300 2.172 10 30 BEEERN C[C@H](S)C(=O)N1CCSC(C)(C)CC1 ZINC000231070125 358649008 /nfs/dbraw/zinc/64/90/08/358649008.db2.gz ASGAPCPDKKTLMJ-QMMMGPOBSA-N 0 0 233.402 2.049 10 30 BEEERN CCc1nc(CN[C@H]2CCC[C@H]2C#N)cs1 ZINC000132443301 358723465 /nfs/dbraw/zinc/72/34/65/358723465.db2.gz IFBZCXINVRQSON-ONGXEEELSA-N 0 0 235.356 2.487 10 30 BEEERN COc1cccc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000054825534 358876306 /nfs/dbraw/zinc/87/63/06/358876306.db2.gz ZXOGPAQRPQXUDY-OCCSQVGLSA-N 0 0 230.311 2.477 10 30 BEEERN C=C1C(=O)O[C@@H]2C[C@]3(C)[C@H](C[C@H]12)[C@@H]3CCC(C)=O ZINC000105357135 358903841 /nfs/dbraw/zinc/90/38/41/358903841.db2.gz AGIQIKMGJVLKMA-OKWIKPQFSA-N 0 0 248.322 2.500 10 30 BEEERN CN(CCC#N)C(=O)c1cccc2ncccc21 ZINC000060393818 358924823 /nfs/dbraw/zinc/92/48/23/358924823.db2.gz IOGUXIZVAJYNII-UHFFFAOYSA-N 0 0 239.278 2.220 10 30 BEEERN CC[C@H](S)C(=O)N1CCCCCCC1 ZINC000306154448 358940443 /nfs/dbraw/zinc/94/04/43/358940443.db2.gz BGDNISOEVYRWJD-JTQLQIEISA-N 0 0 215.362 2.488 10 30 BEEERN CO[C@@H](C=O)c1sccc1Br ZINC000306227807 359363905 /nfs/dbraw/zinc/36/39/05/359363905.db2.gz DUZRSKISWANUBJ-LURJTMIESA-N 0 0 235.102 2.397 10 30 BEEERN Cc1csc([C@@]2(C#N)CCCOC2)n1 ZINC000306241600 359421848 /nfs/dbraw/zinc/42/18/48/359421848.db2.gz RTFOPJZORJUDOC-SNVBAGLBSA-N 0 0 208.286 2.023 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1 ZINC000231202146 359466992 /nfs/dbraw/zinc/46/69/92/359466992.db2.gz SNSGIUKBKVLJAE-OLZOCXBDSA-N 0 0 243.310 2.178 10 30 BEEERN CC[C@H]1CCCCN1C(=O)C#CBr ZINC000306323565 359607705 /nfs/dbraw/zinc/60/77/05/359607705.db2.gz OVBUXKGVTUZPJK-VIFPVBQESA-N 0 0 244.132 2.133 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403321253 359718057 /nfs/dbraw/zinc/71/80/57/359718057.db2.gz AEUSARFANAOMKU-PPCPHDFISA-N 0 0 232.327 2.231 10 30 BEEERN Cc1cc(C(C#N)C#N)ncc1Br ZINC000306392108 359757796 /nfs/dbraw/zinc/75/77/96/359757796.db2.gz AYHGZAYLLNGPQF-UHFFFAOYSA-N 0 0 236.072 2.283 10 30 BEEERN Cc1cc(C(=O)NO)cc(C)c1Br ZINC000306408846 359797556 /nfs/dbraw/zinc/79/75/56/359797556.db2.gz ZWYNNRBXVDXQQT-UHFFFAOYSA-N 0 0 244.088 2.185 10 30 BEEERN C[C@H]1CCCC[C@H]1NC(=O)C#CBr ZINC000306414301 359816463 /nfs/dbraw/zinc/81/64/63/359816463.db2.gz VXWCQEWAWAGLBC-DTWKUNHWSA-N 0 0 244.132 2.037 10 30 BEEERN Cc1nn(C/C(Cl)=C/Cl)cc1C#N ZINC000306449568 360017496 /nfs/dbraw/zinc/01/74/96/360017496.db2.gz ASAPXKXSCBSMRT-WAPJZHGLSA-N 0 0 216.071 2.382 10 30 BEEERN C=C=CC(=O)c1coc(Br)c1 ZINC000306457968 360047216 /nfs/dbraw/zinc/04/72/16/360047216.db2.gz XGFXWPILBZLVSV-UHFFFAOYSA-N 0 0 213.030 2.248 10 30 BEEERN O=C[C@@H](O)c1c(Cl)cccc1Br ZINC000306456408 360047557 /nfs/dbraw/zinc/04/75/57/360047557.db2.gz SGEYYDTXZFTHDT-SSDOTTSWSA-N 0 0 249.491 2.335 10 30 BEEERN C=CCSCc1nnc(C2CC2)n1C ZINC000091029953 360098882 /nfs/dbraw/zinc/09/88/82/360098882.db2.gz GNRKNAADUMRDSM-UHFFFAOYSA-N 0 0 209.318 2.112 10 30 BEEERN C[C@@H]1CCN(C[C@@H]2CO2)c2ccccc21 ZINC000306459838 360056886 /nfs/dbraw/zinc/05/68/86/360056886.db2.gz BSDQYXAPDDJBIY-GHMZBOCLSA-N 0 0 203.285 2.399 10 30 BEEERN CCCN(CC#N)C[C@@H]1Cc2ccccc2O1 ZINC000090874874 360091592 /nfs/dbraw/zinc/09/15/92/360091592.db2.gz YINBAJNIBPERLD-ZDUSSCGKSA-N 0 0 230.311 2.226 10 30 BEEERN N#Cc1ncc(OC(F)F)cc1Br ZINC000306486960 360164362 /nfs/dbraw/zinc/16/43/62/360164362.db2.gz PHMKHJRAVKQXDQ-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN Cc1ccc([C@H](C)NC(=O)[C@H](C)C#N)cc1F ZINC000094929766 360327245 /nfs/dbraw/zinc/32/72/45/360327245.db2.gz PPUQBQYGOXCBAB-ZJUUUORDSA-N 0 0 234.274 2.471 10 30 BEEERN CC1(C)CC(=O)C=C(Cc2csnn2)C1 ZINC000306553127 360426140 /nfs/dbraw/zinc/42/61/40/360426140.db2.gz KSECKITXIMSOEN-UHFFFAOYSA-N 0 0 222.313 2.396 10 30 BEEERN C#CC[C@H](C)Nc1cncc(SC)n1 ZINC000306556039 360430194 /nfs/dbraw/zinc/43/01/94/360430194.db2.gz MEKSDOBELFXKRJ-QMMMGPOBSA-N 0 0 207.302 2.022 10 30 BEEERN N#Cc1cc(Nc2ccsc2)ncn1 ZINC000306559864 360435228 /nfs/dbraw/zinc/43/52/28/360435228.db2.gz LUOMDMUQNQGTAC-UHFFFAOYSA-N 0 0 202.242 2.153 10 30 BEEERN CSC(=N[C@H](C)[C@@H]1CC1(C)C)NC#N ZINC000306588045 360491970 /nfs/dbraw/zinc/49/19/70/360491970.db2.gz STODYQKCDVHFIO-SFYZADRCSA-N 0 0 211.334 2.211 10 30 BEEERN CSC(=N[C@@H](C)[C@@H]1CC1(C)C)NC#N ZINC000306588047 360492227 /nfs/dbraw/zinc/49/22/27/360492227.db2.gz STODYQKCDVHFIO-YUMQZZPRSA-N 0 0 211.334 2.211 10 30 BEEERN C[C@@H]1CCCC[C@]1(C#N)CC[S@](C)=O ZINC000306572655 360461185 /nfs/dbraw/zinc/46/11/85/360461185.db2.gz HRIVGHMRMQKNNF-GYSYKLTISA-N 0 0 213.346 2.475 10 30 BEEERN CC(C)(C)C#CC[C@H](NN)C(F)(F)Cl ZINC000300812285 360517505 /nfs/dbraw/zinc/51/75/05/360517505.db2.gz XOSPKDGIVXYEGG-ZETCQYMHSA-N 0 0 224.682 2.090 10 30 BEEERN CCOC(=O)Cc1cc(Cl)ccc1C#N ZINC000238257957 360762705 /nfs/dbraw/zinc/76/27/05/360762705.db2.gz KWANDGNKDHYBFR-UHFFFAOYSA-N 0 0 223.659 2.317 10 30 BEEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)C(F)(F)F ZINC000306611442 360795086 /nfs/dbraw/zinc/79/50/86/360795086.db2.gz GFLRRRVLGCZAKK-XLPZGREQSA-N 0 0 206.211 2.219 10 30 BEEERN CCOC(=O)c1cc(C#N)c(F)cc1F ZINC000238304602 360828631 /nfs/dbraw/zinc/82/86/31/360828631.db2.gz BBHWIBPJMPFRMK-UHFFFAOYSA-N 0 0 211.167 2.013 10 30 BEEERN NC(=S)N/N=C\c1cccc(Cl)c1Cl ZINC000033281749 181318589 /nfs/dbraw/zinc/31/85/89/181318589.db2.gz MUEBZTOJMDYECK-QCDXTXTGSA-N 0 0 248.138 2.161 10 30 BEEERN Cc1cc(CC#N)nc(OC(F)(F)F)c1 ZINC000238471085 361097678 /nfs/dbraw/zinc/09/76/78/361097678.db2.gz ZCDLNTKWLISZJE-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1ccnc(OC(F)(F)F)c1C#N ZINC000238472291 361098080 /nfs/dbraw/zinc/09/80/80/361098080.db2.gz RHCPVWFOZXNTEO-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN Cc1nccc(OC(F)(F)F)c1C#N ZINC000238491308 361128247 /nfs/dbraw/zinc/12/82/47/361128247.db2.gz UFUFOPJGHPXXNA-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN Cc1nccc(OC(F)(F)F)c1CC#N ZINC000238491516 361128376 /nfs/dbraw/zinc/12/83/76/361128376.db2.gz NNDULTRQIWIKJJ-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN N#CCc1ccncc1OC(F)(F)F ZINC000238544376 361146944 /nfs/dbraw/zinc/14/69/44/361146944.db2.gz VZRSRHUBJMANJT-UHFFFAOYSA-N 0 0 202.135 2.046 10 30 BEEERN O=C(/C=C/c1ccc(Cl)cc1)[C@@H]1CO1 ZINC000238558577 361149625 /nfs/dbraw/zinc/14/96/25/361149625.db2.gz XZGZRMQUEIRVPN-GQOHGMTASA-N 0 0 208.644 2.321 10 30 BEEERN N#CCc1cc(OC(F)(F)F)ncc1F ZINC000238584292 361160302 /nfs/dbraw/zinc/16/03/02/361160302.db2.gz LYKOKGUWBMUTPS-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#Cc1c(Br)ccc(F)c1[N+](=O)[O-] ZINC000306617383 361172926 /nfs/dbraw/zinc/17/29/26/361172926.db2.gz QMOHMOLYEYWUDW-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN C#CCNC(=O)Nc1ccsc1Cl ZINC000306634695 361372136 /nfs/dbraw/zinc/37/21/36/361372136.db2.gz WTJLKGPQKDQQPP-UHFFFAOYSA-N 0 0 214.677 2.156 10 30 BEEERN N#Cc1cccc(N[C@H]2CCC[C@@H]2C#N)n1 ZINC000381402698 361393636 /nfs/dbraw/zinc/39/36/36/361393636.db2.gz AUXVAVRXXGLHBN-KOLCDFICSA-N 0 0 212.256 2.057 10 30 BEEERN C=C(Br)CN1CCCC[C@@H]1C#N ZINC000070662689 361701898 /nfs/dbraw/zinc/70/18/98/361701898.db2.gz SMIYZHLEHYTVGH-SECBINFHSA-N 0 0 229.121 2.273 10 30 BEEERN C[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)C(C)(F)F ZINC000328337223 363882475 /nfs/dbraw/zinc/88/24/75/363882475.db2.gz JPQCHWBILMNOIS-HLTSFMKQSA-N 0 0 230.258 2.086 10 30 BEEERN Cc1cc(N)nn1CCCC(C)(C)C#N ZINC000300890509 541309814 /nfs/dbraw/zinc/30/98/14/541309814.db2.gz OMBMWOPWJCOOCF-UHFFFAOYSA-N 0 0 206.293 2.104 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1ccc(F)cc1 ZINC000234583319 541312029 /nfs/dbraw/zinc/31/20/29/541312029.db2.gz YPKVMILOBVLVGI-WDEREUQCSA-N 0 0 244.649 2.179 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)c1ncoc1C1CC1 ZINC000328851165 541327244 /nfs/dbraw/zinc/32/72/44/541327244.db2.gz ZLRWUPIYPFQMAU-SVRRBLITSA-N 0 0 206.245 2.265 10 30 BEEERN CCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C=O ZINC000725269772 541339018 /nfs/dbraw/zinc/33/90/18/541339018.db2.gz QIASKDCOAFWBKE-MNOVXSKESA-N 0 0 241.331 2.469 10 30 BEEERN CCOc1nccc(C#N)c1Br ZINC000725273652 541341186 /nfs/dbraw/zinc/34/11/86/541341186.db2.gz SIPYHDKRBRBTMD-UHFFFAOYSA-N 0 0 227.061 2.114 10 30 BEEERN C=C(C)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000016623644 219939476 /nfs/dbraw/zinc/93/94/76/219939476.db2.gz RNQGTVSOIRLMFA-CQSZACIVSA-N 0 0 244.294 2.030 10 30 BEEERN C=CCCCN(C)c1ccnc(C#N)c1 ZINC000135595263 364445874 /nfs/dbraw/zinc/44/58/74/364445874.db2.gz GAPJNUFPWPSQBD-UHFFFAOYSA-N 0 0 201.273 2.356 10 30 BEEERN C=CCCCN(C)c1cc(C#N)ccn1 ZINC000135595473 364446551 /nfs/dbraw/zinc/44/65/51/364446551.db2.gz KBBWGTXGPBHDEM-UHFFFAOYSA-N 0 0 201.273 2.356 10 30 BEEERN C=CCCCN(C)C(=O)[C@](C)(C#N)CC ZINC000135978431 364453379 /nfs/dbraw/zinc/45/33/79/364453379.db2.gz FWJLXGXSNIKZMZ-LBPRGKRZSA-N 0 0 208.305 2.351 10 30 BEEERN CC(C)[C@@H]1CCN(C(=O)C(C)(C)C#N)C1 ZINC000134966711 364420188 /nfs/dbraw/zinc/42/01/88/364420188.db2.gz JDOXGRQFIPMGQT-SNVBAGLBSA-N 0 0 208.305 2.041 10 30 BEEERN Cc1nc(N2CCCCC2)sc1C=NO ZINC000252369933 364667948 /nfs/dbraw/zinc/66/79/48/364667948.db2.gz GBCQKDGMZOJECU-UHFFFAOYSA-N 0 0 225.317 2.250 10 30 BEEERN CC(C)(C#N)NC(=O)[C@@H]1CCCCC1(F)F ZINC000327911212 364800803 /nfs/dbraw/zinc/80/08/03/364800803.db2.gz QTDYRKUNZWQMMY-QMMMGPOBSA-N 0 0 230.258 2.230 10 30 BEEERN CCCCC[C@]1(C)O[C@]1(Cl)C(=O)OC ZINC000232953781 541431033 /nfs/dbraw/zinc/43/10/33/541431033.db2.gz PPKCKFRPQLXHSE-VHSXEESVSA-N 0 0 220.696 2.464 10 30 BEEERN COC(=O)CC1([C@@H]2CO2)CCC(F)(F)CC1 ZINC000675053927 541433036 /nfs/dbraw/zinc/43/30/36/541433036.db2.gz RATDNEGCBCDSJU-QMMMGPOBSA-N 0 0 234.242 2.144 10 30 BEEERN CCC[C@@H]1CCc2c(C#N)c(N)ncc2C1 ZINC000675063778 541465090 /nfs/dbraw/zinc/46/50/90/541465090.db2.gz OOGJWUHUTUXFNJ-SECBINFHSA-N 0 0 215.300 2.440 10 30 BEEERN CCC[C@@]1(CC)O[C@@]1(Cl)C(=O)OC ZINC000233317968 541508652 /nfs/dbraw/zinc/50/86/52/541508652.db2.gz PCMYRFXUIQXSTJ-BDAKNGLRSA-N 0 0 206.669 2.074 10 30 BEEERN CCC[C@@]1(CC)O[C@]1(Cl)C(=O)OC ZINC000233317981 541508943 /nfs/dbraw/zinc/50/89/43/541508943.db2.gz PCMYRFXUIQXSTJ-RKDXNWHRSA-N 0 0 206.669 2.074 10 30 BEEERN CCC[C@]1(CC)O[C@@]1(Cl)C(=O)OC ZINC000233367256 541509080 /nfs/dbraw/zinc/50/90/80/541509080.db2.gz PCMYRFXUIQXSTJ-IUCAKERBSA-N 0 0 206.669 2.074 10 30 BEEERN CCN(CCC#N)c1cccc(NC(C)=O)c1 ZINC000034109852 169816930 /nfs/dbraw/zinc/81/69/30/169816930.db2.gz WTEINCFQQDGGPB-UHFFFAOYSA-N 0 0 231.299 2.385 10 30 BEEERN N#CC(C#N)c1ccc(C(F)(F)F)cn1 ZINC000012562721 368370702 /nfs/dbraw/zinc/37/07/02/368370702.db2.gz RXCBLNFXYDTDFM-UHFFFAOYSA-N 0 0 211.146 2.231 10 30 BEEERN CCO[P@@](C)(=O)c1ccc(/C=N/O)cc1 ZINC000221835860 368416736 /nfs/dbraw/zinc/41/67/36/368416736.db2.gz QLBBOGCCQACUKX-KUCQQTCKSA-N 0 0 227.200 2.064 10 30 BEEERN C=CCc1c(O)c(C(=O)OC)cc(C)c1OC ZINC000039042134 368407820 /nfs/dbraw/zinc/40/78/20/368407820.db2.gz OYKSXEWWVLNXNL-UHFFFAOYSA-N 0 0 236.267 2.224 10 30 BEEERN N#C[C@@]1(N)CC[C@@H]2Cc3ccccc3C[C@H]2C1 ZINC000039041624 368408141 /nfs/dbraw/zinc/40/81/41/368408141.db2.gz IPHLCVOSOIZCRN-QLFBSQMISA-N 0 0 226.323 2.423 10 30 BEEERN CC(=O)O[C@@H](C#N)[C@H](C)c1ccccc1 ZINC000038672867 368409786 /nfs/dbraw/zinc/40/97/86/368409786.db2.gz QAXXLBCZQYIWPV-SKDRFNHKSA-N 0 0 203.241 2.245 10 30 BEEERN C#CCN(CC)C(=O)N[C@H](C)c1cccs1 ZINC000056555010 368470915 /nfs/dbraw/zinc/47/09/15/368470915.db2.gz AIDWRLDAEPXYCO-SNVBAGLBSA-N 0 0 236.340 2.474 10 30 BEEERN Cc1ccc(C#CS(=O)(=O)C(F)(F)F)cc1 ZINC000001618954 368661380 /nfs/dbraw/zinc/66/13/80/368661380.db2.gz KQUPPVAQYMLSBV-UHFFFAOYSA-N 0 0 248.225 2.239 10 30 BEEERN CC1(C)OC(=O)[C@H](C#N)[C@@H]1c1ccccc1 ZINC000001701126 368684959 /nfs/dbraw/zinc/68/49/59/368684959.db2.gz ZYAXOYUQIOBZSM-MNOVXSKESA-N 0 0 215.252 2.245 10 30 BEEERN OCC#Cc1ccc(-c2ccccc2)nc1 ZINC000113917517 368910890 /nfs/dbraw/zinc/91/08/90/368910890.db2.gz KDYINFRFDSBLSN-UHFFFAOYSA-N 0 0 209.248 2.092 10 30 BEEERN O=C[C@H]1Cc2ccc(Br)cc2C1 ZINC000115037268 368970485 /nfs/dbraw/zinc/97/04/85/368970485.db2.gz SCKQSSDNKHIULU-ZETCQYMHSA-N 0 0 225.085 2.363 10 30 BEEERN COCCN(CCC#N)C[C@H]1Cc2ccccc21 ZINC000090977013 368945278 /nfs/dbraw/zinc/94/52/78/368945278.db2.gz RROGUAVKCBKWEQ-CQSZACIVSA-N 0 0 244.338 2.188 10 30 BEEERN CC(C)(C)OC(=O)N1CCC2(CC2)C[C@@H]1C=O ZINC000114873860 368956702 /nfs/dbraw/zinc/95/67/02/368956702.db2.gz BABYBNKBVQWOOY-SNVBAGLBSA-N 0 0 239.315 2.365 10 30 BEEERN CC(=O)ONC(=O)c1ccc2ccccc2c1 ZINC000005166260 368957407 /nfs/dbraw/zinc/95/74/07/368957407.db2.gz UDRJIRXNGIDROL-UHFFFAOYSA-N 0 0 229.235 2.048 10 30 BEEERN CN[C@@H](C#N)c1ccc(Br)c(F)c1 ZINC000161427216 369005557 /nfs/dbraw/zinc/00/55/57/369005557.db2.gz OETUQSRRLNBBIE-VIFPVBQESA-N 0 0 243.079 2.372 10 30 BEEERN Cc1nc(CN2CCCC[C@@H]2C=O)cs1 ZINC000054238030 369062179 /nfs/dbraw/zinc/06/21/79/369062179.db2.gz KOGDWNATRLOQAH-LLVKDONJSA-N 0 0 224.329 2.005 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)NCC(C)(C)C#N ZINC000230176738 369431798 /nfs/dbraw/zinc/43/17/98/369431798.db2.gz YHFWOBAJYRSIHX-ZJUUUORDSA-N 0 0 208.305 2.089 10 30 BEEERN C=CC1CCN(C(=O)c2cc(C)nn2CC)CC1 ZINC000110366983 369760471 /nfs/dbraw/zinc/76/04/71/369760471.db2.gz ICQADLBYURVEAJ-UHFFFAOYSA-N 0 0 247.342 2.250 10 30 BEEERN N#Cc1cc(Cl)cnc1N1CCCC1 ZINC000409442372 369977882 /nfs/dbraw/zinc/97/78/82/369977882.db2.gz VCAVGHDGDNJLGB-UHFFFAOYSA-N 0 0 207.664 2.207 10 30 BEEERN COC(=O)c1cc(C(C)C)[nH]c(=S)c1C#N ZINC000409440966 369978232 /nfs/dbraw/zinc/97/82/32/369978232.db2.gz NBSRVKOQLZEGOY-UHFFFAOYSA-N 0 0 236.296 2.152 10 30 BEEERN N#Cc1cc(-c2ccncc2)nn1CC1CC1 ZINC000409443489 369978500 /nfs/dbraw/zinc/97/85/00/369978500.db2.gz NVEORBAMVBBMQH-UHFFFAOYSA-N 0 0 224.267 2.227 10 30 BEEERN COc1cccc(-c2cnc(C#N)o2)c1 ZINC000409429831 369975758 /nfs/dbraw/zinc/97/57/58/369975758.db2.gz TWXSWFHHXNESAY-UHFFFAOYSA-N 0 0 200.197 2.222 10 30 BEEERN C#Cc1csc2c1ncnc2SC ZINC000118376049 371014691 /nfs/dbraw/zinc/01/46/91/371014691.db2.gz SGLPFSPDFXFZGA-UHFFFAOYSA-N 0 0 206.295 2.395 10 30 BEEERN N#Cc1c[nH]c2cc(Br)ncc12 ZINC000095919799 371357757 /nfs/dbraw/zinc/35/77/57/371357757.db2.gz JPILYDWPQRIFIL-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000131187249 371566053 /nfs/dbraw/zinc/56/60/53/371566053.db2.gz NNXICJOPGJQZJP-XCBNKYQSSA-N 0 0 217.228 2.287 10 30 BEEERN C[C@@H]1C[C@H]1Nc1cc(C#N)cc(Cl)n1 ZINC000215568154 371581738 /nfs/dbraw/zinc/58/17/38/371581738.db2.gz SRCWFZHRBNZPAS-HTRCEHHLSA-N 0 0 207.664 2.427 10 30 BEEERN CC#CCN[C@@H](C)c1nc(C)sc1C ZINC000162004109 371599675 /nfs/dbraw/zinc/59/96/75/371599675.db2.gz IHLLHLYTFXZWLO-QMMMGPOBSA-N 0 0 208.330 2.434 10 30 BEEERN C#C[C@@H](CC)Nc1cc(C)nc(Cl)n1 ZINC000230020281 371636793 /nfs/dbraw/zinc/63/67/93/371636793.db2.gz MIDUAMQFECITJC-QMMMGPOBSA-N 0 0 209.680 2.262 10 30 BEEERN COc1c(Cl)cc(N)c(C#N)c1Cl ZINC000131850883 371697296 /nfs/dbraw/zinc/69/72/96/371697296.db2.gz BPLIAKUUDYHTHQ-UHFFFAOYSA-N 0 0 217.055 2.456 10 30 BEEERN CCOc1cc(Br)cc(C#N)c1N ZINC000131878249 371703512 /nfs/dbraw/zinc/70/35/12/371703512.db2.gz SHXVSIAFMHDNEN-UHFFFAOYSA-N 0 0 241.088 2.302 10 30 BEEERN COc1cc(Cl)c(C#CCO)cc1Cl ZINC000132464088 371829922 /nfs/dbraw/zinc/82/99/22/371829922.db2.gz YRTJDCSEYXSYEF-UHFFFAOYSA-N 0 0 231.078 2.346 10 30 BEEERN N#C[C@]1(c2ccccc2Cl)C[C@H]1CO ZINC000132787571 371923841 /nfs/dbraw/zinc/92/38/41/371923841.db2.gz HHYHOHBDMRZURY-GZMMTYOYSA-N 0 0 207.660 2.114 10 30 BEEERN N#Cc1cnc(Br)c(Cl)c1 ZINC000230537826 371927232 /nfs/dbraw/zinc/92/72/32/371927232.db2.gz YZLPUJKXILCLEP-UHFFFAOYSA-N 0 0 217.453 2.369 10 30 BEEERN C[C@@H](C#N)[S@](=O)c1ccc(F)c(Cl)c1 ZINC000227964626 371965802 /nfs/dbraw/zinc/96/58/02/371965802.db2.gz KZMNMIIHWGVVRB-MDAAJZPYSA-N 0 0 231.679 2.499 10 30 BEEERN O=C[C@H]1CC[C@H](c2occc2Br)O1 ZINC000306147677 371989129 /nfs/dbraw/zinc/98/91/29/371989129.db2.gz AOCHTNAWXUSZEP-HTRCEHHLSA-N 0 0 245.072 2.461 10 30 BEEERN N#C[C@@H](CO)Cc1ccc(F)c(Cl)c1 ZINC000231076261 371989928 /nfs/dbraw/zinc/98/99/28/371989928.db2.gz CEPMCEBBYGQEDJ-QMMMGPOBSA-N 0 0 213.639 2.154 10 30 BEEERN N#Cc1c(Cl)ccnc1OC(F)F ZINC000306580725 372040537 /nfs/dbraw/zinc/04/05/37/372040537.db2.gz OCJNFNUETZIBQG-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN CC[C@@H]1CC[C@H](C#N)[C@@H]([S@@](=O)CC)C1 ZINC000218044884 372052340 /nfs/dbraw/zinc/05/23/40/372052340.db2.gz KIFOZGKSLMLMMX-PUHVVEEASA-N 0 0 213.346 2.473 10 30 BEEERN C[C@H]1Cc2nc(CC#N)sc2[C@H](C)O1 ZINC000133502300 372063799 /nfs/dbraw/zinc/06/37/99/372063799.db2.gz VZTDILSQOIYIFC-BQBZGAKWSA-N 0 0 208.286 2.231 10 30 BEEERN C[C@@H]1Cc2nc(CC#N)sc2[C@@H](C)O1 ZINC000133502503 372064362 /nfs/dbraw/zinc/06/43/62/372064362.db2.gz VZTDILSQOIYIFC-RNFRBKRXSA-N 0 0 208.286 2.231 10 30 BEEERN C[C@H]1O[C@@H](C)Cc2nc(CC#N)sc21 ZINC000133502687 372064964 /nfs/dbraw/zinc/06/49/64/372064964.db2.gz VZTDILSQOIYIFC-NKWVEPMBSA-N 0 0 208.286 2.231 10 30 BEEERN CC1(C)CC[C@H](NC(=O)C#CBr)C1 ZINC000307657536 372135922 /nfs/dbraw/zinc/13/59/22/372135922.db2.gz AFPNRQMXINRUHR-QMMMGPOBSA-N 0 0 244.132 2.037 10 30 BEEERN CC#CCCNc1nsnc1Cl ZINC000229331628 372144026 /nfs/dbraw/zinc/14/40/26/372144026.db2.gz QAUASHDGHSMILX-UHFFFAOYSA-N 0 0 201.682 2.017 10 30 BEEERN C#C[C@H](NN)c1ccc(Cl)c(Cl)c1 ZINC000229698218 372182431 /nfs/dbraw/zinc/18/24/31/372182431.db2.gz IXAFFYIXLMYSRZ-VIFPVBQESA-N 0 0 215.083 2.131 10 30 BEEERN CC=C1C(=O)C(=O)C(Br)[C@H]1C ZINC000038293519 372531161 /nfs/dbraw/zinc/53/11/61/372531161.db2.gz DHOGEVQTMZXUBK-BNWFAOCJSA-N 0 0 217.062 2.316 10 30 BEEERN Cc1ccc2c(c1)c(=O)cc(C)n2CC#N ZINC000040174213 373114560 /nfs/dbraw/zinc/11/45/60/373114560.db2.gz OISNFJLGMUUCLB-UHFFFAOYSA-N 0 0 212.252 2.142 10 30 BEEERN N#C[C@H](c1ccncc1)N1CCCCC1 ZINC000019934018 205461701 /nfs/dbraw/zinc/46/17/01/205461701.db2.gz HACREUNPAXWLDO-GFCCVEGCSA-N 0 0 201.273 2.132 10 30 BEEERN COc1ccc2c(ccn2C[C@H]2CO2)c1 ZINC000070453498 374142495 /nfs/dbraw/zinc/14/24/95/374142495.db2.gz AIBMJDCBEMLYBB-NSHDSACASA-N 0 0 203.241 2.049 10 30 BEEERN O=CCCc1occc1Br ZINC000070738862 374186050 /nfs/dbraw/zinc/18/60/50/374186050.db2.gz CZAYAWLZHPFQHR-UHFFFAOYSA-N 0 0 203.035 2.174 10 30 BEEERN OCCC#Cc1ccccc1OCC(F)(F)F ZINC000037544154 183041841 /nfs/dbraw/zinc/04/18/41/183041841.db2.gz HDWSGUJHOVZJMF-UHFFFAOYSA-N 0 0 244.212 2.362 10 30 BEEERN CCCN(CC#N)C(=O)Oc1ccccc1 ZINC000044379529 169091165 /nfs/dbraw/zinc/09/11/65/169091165.db2.gz VKKQBGUCXGVXDW-UHFFFAOYSA-N 0 0 218.256 2.421 10 30 BEEERN CCCN(CCC)C(=O)c1ccc(C#N)nc1 ZINC000115017368 169146068 /nfs/dbraw/zinc/14/60/68/169146068.db2.gz JXDKKTPJVCYVTJ-UHFFFAOYSA-N 0 0 231.299 2.215 10 30 BEEERN Oc1ccc2ccccc2c1/C=N\n1cnnc1 ZINC000000035468 183284614 /nfs/dbraw/zinc/28/46/14/183284614.db2.gz AHWSQQXCPSZAGS-APSNUPSMSA-N 0 0 238.250 2.019 10 30 BEEERN CCCNC(=O)[C@@H](C)Nc1cc(C#N)ccc1C ZINC000050430317 169242707 /nfs/dbraw/zinc/24/27/07/169242707.db2.gz WFURPPSIMNKEGK-LLVKDONJSA-N 0 0 245.326 2.193 10 30 BEEERN CCCN[C@@H](C#N)c1cccc(OC)c1OC ZINC000020176879 169273186 /nfs/dbraw/zinc/27/31/86/169273186.db2.gz BJONCXUFJXRZSL-NSHDSACASA-N 0 0 234.299 2.268 10 30 BEEERN CCCN[C@]1(C#N)CCOc2ccccc21 ZINC000020379837 169293374 /nfs/dbraw/zinc/29/33/74/169293374.db2.gz AYHHZKUSWATCAV-ZDUSSCGKSA-N 0 0 216.284 2.188 10 30 BEEERN CCCNc1c(C#N)nnc2ccccc21 ZINC000041529703 169293417 /nfs/dbraw/zinc/29/34/17/169293417.db2.gz SGJXTYYVPDHOFV-UHFFFAOYSA-N 0 0 212.256 2.323 10 30 BEEERN CCCOc1ccc(OC[C@@H]2CO2)cc1 ZINC000034957292 169321214 /nfs/dbraw/zinc/32/12/14/169321214.db2.gz GUZXNTWZQHTMJJ-GFCCVEGCSA-N 0 0 208.257 2.253 10 30 BEEERN CCCOc1nc(N(C)C[C@H](C)C#N)ccc1N ZINC000042455153 169328271 /nfs/dbraw/zinc/32/82/71/169328271.db2.gz WQOVFWQJHAJUOH-SNVBAGLBSA-N 0 0 248.330 2.048 10 30 BEEERN C[C@@H](C#N)N1CCC(OC2CCCC2)CC1 ZINC000181648912 134338367 /nfs/dbraw/zinc/33/83/67/134338367.db2.gz MVXAYVMVZNWZSP-NSHDSACASA-N 0 0 222.332 2.322 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(C#N)o1 ZINC000309342560 169432292 /nfs/dbraw/zinc/43/22/92/169432292.db2.gz LLTUQQGUVOIUKV-SCZZXKLOSA-N 0 0 218.256 2.070 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(C#N)c1 ZINC000075371836 535465012 /nfs/dbraw/zinc/46/50/12/535465012.db2.gz JRBPQVQERFXZKB-YPMHNXCESA-N 0 0 228.295 2.477 10 30 BEEERN CCN(C(=O)[C@H](C#N)c1ccccc1)C1CC1 ZINC000061614371 169651514 /nfs/dbraw/zinc/65/15/14/169651514.db2.gz VKEULMQTVHFEOG-CYBMUJFWSA-N 0 0 228.295 2.305 10 30 BEEERN CC(C)c1ccc(C#N)c(/N=C/N(C)C)n1 ZINC000087493674 383848403 /nfs/dbraw/zinc/84/84/03/383848403.db2.gz ZHIQUUAOCPSGIX-RIYZIHGNSA-N 0 0 216.288 2.298 10 30 BEEERN Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](C)C#N)cc21 ZINC000116737372 383877552 /nfs/dbraw/zinc/87/75/52/383877552.db2.gz KDNYOYOPIGNPRL-QMMMGPOBSA-N 0 0 245.257 2.257 10 30 BEEERN O=C1Nc2ccccc2/C1=N/c1nccs1 ZINC000006582853 383958748 /nfs/dbraw/zinc/95/87/48/383958748.db2.gz PNTKBLRMHBTOFR-UHFFFAOYSA-N 0 0 229.264 2.216 10 30 BEEERN O=C(OCc1ccccc1)N1CC[C@@H]2O[C@H]2CC1 ZINC000113980033 384016050 /nfs/dbraw/zinc/01/60/50/384016050.db2.gz IITJMAOVBYABLN-STQMWFEESA-N 0 0 247.294 2.186 10 30 BEEERN Cc1ccnc(N2C[C@H]3CCC[C@H]32)c1C#N ZINC000336500295 384018150 /nfs/dbraw/zinc/01/81/50/384018150.db2.gz YEVMJANJTPUFDS-ZYHUDNBSSA-N 0 0 213.284 2.250 10 30 BEEERN CCOc1cc(C)c(C#N)c(CC#N)c1 ZINC000575650181 384024186 /nfs/dbraw/zinc/02/41/86/384024186.db2.gz SUJVDSNTIYWYQU-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN Cc1nc(N2C[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000335855323 384026440 /nfs/dbraw/zinc/02/64/40/384026440.db2.gz WMUSLKIVYVLHTB-RYUDHWBXSA-N 0 0 213.284 2.250 10 30 BEEERN C[C@]1(c2ccc3c(c2)OCCCO3)CO1 ZINC000036157885 384071326 /nfs/dbraw/zinc/07/13/26/384071326.db2.gz UARFCEMAVIBFFF-GFCCVEGCSA-N 0 0 206.241 2.093 10 30 BEEERN C=C(C)CSCc1nnc(CC)n1C ZINC000091030496 384097283 /nfs/dbraw/zinc/09/72/83/384097283.db2.gz OHYHCHCSJIOLEH-UHFFFAOYSA-N 0 0 211.334 2.187 10 30 BEEERN COc1cc(CC#N)c(OC(F)F)cc1OC ZINC000575653000 384118411 /nfs/dbraw/zinc/11/84/11/384118411.db2.gz PONVTNQIMHCARA-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN C=CC[C@H](C)NC(=O)N1CCS[C@@H](C)C1 ZINC000116972492 384135286 /nfs/dbraw/zinc/13/52/86/384135286.db2.gz SATKIZLTIRIGKX-UWVGGRQHSA-N 0 0 228.361 2.098 10 30 BEEERN CON(C)CCC(=O)/C=C/c1ccccc1 ZINC000091366293 384122790 /nfs/dbraw/zinc/12/27/90/384122790.db2.gz DJAOQKVGOGZYLH-CMDGGOBGSA-N 0 0 219.284 2.152 10 30 BEEERN C#Cc1ncccc1NC(=O)OC(C)(C)C ZINC000116297864 384128511 /nfs/dbraw/zinc/12/85/11/384128511.db2.gz SUGIEJSXNAPLDY-UHFFFAOYSA-N 0 0 218.256 2.410 10 30 BEEERN Cc1ccc(O)c(C(=O)NC2(C#N)CCCC2)c1 ZINC000040217102 384130888 /nfs/dbraw/zinc/13/08/88/384130888.db2.gz BHMPICYHDZXEJS-UHFFFAOYSA-N 0 0 244.294 2.267 10 30 BEEERN CSCCC(=O)Nc1ccc(F)cc1C#N ZINC000135154218 384131954 /nfs/dbraw/zinc/13/19/54/384131954.db2.gz DDVZMSUEOGYULW-UHFFFAOYSA-N 0 0 238.287 2.389 10 30 BEEERN C=CCOc1nc(SC)ncc1C=C ZINC000117210012 384145556 /nfs/dbraw/zinc/14/55/56/384145556.db2.gz SVPUGCFTHFKDON-UHFFFAOYSA-N 0 0 208.286 2.406 10 30 BEEERN C[C@@]1(F)CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000408045972 384183792 /nfs/dbraw/zinc/18/37/92/384183792.db2.gz AFJFBZNYBWEFIZ-GFCCVEGCSA-N 0 0 249.245 2.405 10 30 BEEERN C=CCNc1ncc(N)cc1Br ZINC000036244912 384186473 /nfs/dbraw/zinc/18/64/73/384186473.db2.gz KPNBQRATOSSZPP-UHFFFAOYSA-N 0 0 228.093 2.024 10 30 BEEERN CCOc1c(C)cc(C#N)cc1CC#N ZINC000575646215 384207632 /nfs/dbraw/zinc/20/76/32/384207632.db2.gz CZOKJPZEBJJTIT-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN CCOc1c(F)cc(CC#N)cc1C#N ZINC000575646111 384193199 /nfs/dbraw/zinc/19/31/99/384193199.db2.gz UKZUQICRAXDDCM-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CO/N=C/c1ccc(C(=O)N[C@@H](C)C(C)C)cc1 ZINC000041975322 384200181 /nfs/dbraw/zinc/20/01/81/384200181.db2.gz BGTCUROGWSTIHS-ZRRZQRFHSA-N 0 0 248.326 2.441 10 30 BEEERN CC#CCn1ccc(C(=O)C(F)(F)F)c1 ZINC000132391920 384228434 /nfs/dbraw/zinc/22/84/34/384228434.db2.gz LQOXWKZEDKGMON-UHFFFAOYSA-N 0 0 215.174 2.256 10 30 BEEERN N#Cc1ncccc1Sc1ncco1 ZINC000236219289 384260040 /nfs/dbraw/zinc/26/00/40/384260040.db2.gz HWLSQBQBPFGARE-UHFFFAOYSA-N 0 0 203.226 2.092 10 30 BEEERN C[C@@H](Nc1nccnc1C#N)c1ccco1 ZINC000054377321 384310014 /nfs/dbraw/zinc/31/00/14/384310014.db2.gz PRICEFAIOZJFEZ-MRVPVSSYSA-N 0 0 214.228 2.114 10 30 BEEERN Cc1cc(N2CCS[C@@H](C)C2)c(C#N)cn1 ZINC000335508733 384296540 /nfs/dbraw/zinc/29/65/40/384296540.db2.gz ASQCRQFCLCNKSR-JTQLQIEISA-N 0 0 233.340 2.203 10 30 BEEERN O=C(OCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000059853108 384374627 /nfs/dbraw/zinc/37/46/27/384374627.db2.gz XTPNAUXIOWWIJY-UHFFFAOYSA-N 0 0 246.053 2.290 10 30 BEEERN N#CCc1ccc(OCC(F)(F)F)nc1 ZINC000095883458 384404701 /nfs/dbraw/zinc/40/47/01/384404701.db2.gz ZRSZOBXUOPHVJM-UHFFFAOYSA-N 0 0 216.162 2.089 10 30 BEEERN N#CCc1ccc(OC(F)F)c(F)c1[N+](=O)[O-] ZINC000575660836 384411508 /nfs/dbraw/zinc/41/15/08/384411508.db2.gz ADFRZTWQRIGRHC-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN Cc1cc(N(C)C[C@H]2CCCO2)c(C#N)c(C)n1 ZINC000157405070 384423434 /nfs/dbraw/zinc/42/34/34/384423434.db2.gz ZTMDLUWDQWYBOA-GFCCVEGCSA-N 0 0 245.326 2.185 10 30 BEEERN COc1cc(O)c(CC#N)cc1OC(F)F ZINC000575662973 384423727 /nfs/dbraw/zinc/42/37/27/384423727.db2.gz NBVXENZVFXKGOE-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN C[C@@H](C#N)N1CC[C@H](c2ccccc2)C1 ZINC000050599282 384386760 /nfs/dbraw/zinc/38/67/60/384386760.db2.gz KHTCOYXDROKQHV-AAEUAGOBSA-N 0 0 200.285 2.388 10 30 BEEERN CCOc1cc([N+](=O)[O-])c(CC)cc1C#N ZINC000575670349 384455740 /nfs/dbraw/zinc/45/57/40/384455740.db2.gz KEQHRBSCBNESPN-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN Cc1cc(C#N)cc([N+](=O)[O-])c1OC(F)F ZINC000575668044 384443420 /nfs/dbraw/zinc/44/34/20/384443420.db2.gz QERLZWAHIWJXQV-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN CCOc1cc(F)cc([N+](=O)[O-])c1C#N ZINC000575671025 384465683 /nfs/dbraw/zinc/46/56/83/384465683.db2.gz RYWBAXZQZNCGLJ-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN CCOc1cc(C#N)cc(F)c1[N+](=O)[O-] ZINC000575670231 384459170 /nfs/dbraw/zinc/45/91/70/384459170.db2.gz HGVZJTOIURUHSB-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN CC(C)(C#N)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000048439746 384490154 /nfs/dbraw/zinc/49/01/54/384490154.db2.gz SJVMFFJGOHCQPO-CYBMUJFWSA-N 0 0 242.322 2.210 10 30 BEEERN COc1c(O)ccc(Br)c1CC#N ZINC000258214656 384544750 /nfs/dbraw/zinc/54/47/50/384544750.db2.gz DEKBRNUQARGSTF-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN CC(C)(C)/C(CSc1cccc[n+]1[O-])=N\O ZINC000100014261 384608135 /nfs/dbraw/zinc/60/81/35/384608135.db2.gz QMLXRBZDLPJECC-XFXZXTDPSA-N 0 0 240.328 2.288 10 30 BEEERN N#Cc1cccc([C@@]2(O)CCCSC2)c1 ZINC000261350762 384621648 /nfs/dbraw/zinc/62/16/48/384621648.db2.gz MCKFYHWVPJTBPQ-GFCCVEGCSA-N 0 0 219.309 2.273 10 30 BEEERN C[C@H]1CSC[C@]1(O)c1cccc(C#N)c1 ZINC000521401851 384629429 /nfs/dbraw/zinc/62/94/29/384629429.db2.gz RKFMWIDPXFEFDD-JOYOIKCWSA-N 0 0 219.309 2.129 10 30 BEEERN COc1cc(C)c(CC=O)c(C)c1OC ZINC000098179272 384599581 /nfs/dbraw/zinc/59/95/81/384599581.db2.gz BQWBYTGIFSFRME-UHFFFAOYSA-N 0 0 208.257 2.062 10 30 BEEERN CCOc1cc(OC)c(OC)cc1CC#N ZINC000575695326 384665481 /nfs/dbraw/zinc/66/54/81/384665481.db2.gz HCDDJZRAOALXDR-UHFFFAOYSA-N 0 0 221.256 2.169 10 30 BEEERN C=CC1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000171953316 384681225 /nfs/dbraw/zinc/68/12/25/384681225.db2.gz OTPNKCHHJQYFRT-UHFFFAOYSA-N 0 0 246.358 2.091 10 30 BEEERN CCOc1cc(C)cc(OC)c1CC#N ZINC000575698545 384710484 /nfs/dbraw/zinc/71/04/84/384710484.db2.gz WTSYQZWESZJPHY-UHFFFAOYSA-N 0 0 205.257 2.468 10 30 BEEERN CCOc1cc([N+](=O)[O-])c(C)cc1CC#N ZINC000575698977 384716458 /nfs/dbraw/zinc/71/64/58/384716458.db2.gz PKTXPNQBURNOJC-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN C=CCN(C(=O)[C@@H](C)COC)c1ccccc1 ZINC000103364508 384765324 /nfs/dbraw/zinc/76/53/24/384765324.db2.gz KMVYAIBMJBLJOL-LBPRGKRZSA-N 0 0 233.311 2.488 10 30 BEEERN CCCCCCC#Cc1nc2nc[nH]c2c(N)n1 ZINC000012405287 384766116 /nfs/dbraw/zinc/76/61/16/384766116.db2.gz ABCGZUNPGHUFFH-UHFFFAOYSA-N 0 0 243.314 2.257 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1C[C@H]1C ZINC000119690533 384835794 /nfs/dbraw/zinc/83/57/94/384835794.db2.gz NBXRULBSKLYAIC-SKDRFNHKSA-N 0 0 214.268 2.005 10 30 BEEERN N#CCc1c(O)cc(OC(F)(F)F)cc1F ZINC000575705393 384791575 /nfs/dbraw/zinc/79/15/75/384791575.db2.gz XQWROJNVSYKURL-UHFFFAOYSA-N 0 0 235.136 2.496 10 30 BEEERN Cc1ccc(N)c(CC#N)c1OC(F)F ZINC000575716366 384873273 /nfs/dbraw/zinc/87/32/73/384873273.db2.gz COYKXLVOLKMYMG-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN CCc1cc(N)c(OC(F)F)cc1CC#N ZINC000575716785 384875961 /nfs/dbraw/zinc/87/59/61/384875961.db2.gz WLQUOOJLNDYFQW-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN CCOc1ccc(OC(F)F)c(CC#N)c1N ZINC000575716105 384876348 /nfs/dbraw/zinc/87/63/48/384876348.db2.gz JSRVCAXCZUVNJW-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN CCc1c(N)ccc(OC(F)F)c1CC#N ZINC000575716765 384877130 /nfs/dbraw/zinc/87/71/30/384877130.db2.gz WEXNAMIPFCURRB-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN N#CCc1c(N)ccc(F)c1OC(F)F ZINC000575716940 384880182 /nfs/dbraw/zinc/88/01/82/384880182.db2.gz YSNPFWSTMOZBRP-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN COc1ccc(N)c(CC#N)c1C(F)(F)F ZINC000575717095 384881138 /nfs/dbraw/zinc/88/11/38/384881138.db2.gz QYVUPCSLKRVAKL-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN Cc1c(N)ccc(OC(F)F)c1CC#N ZINC000575717236 384884589 /nfs/dbraw/zinc/88/45/89/384884589.db2.gz NULYNYLHXCEOMM-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN COc1cc(N)cc(C(F)(F)F)c1CC#N ZINC000575717502 384884894 /nfs/dbraw/zinc/88/48/94/384884894.db2.gz VMTBOUWEDYNXEZ-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN N#CCc1c(N)c(C(F)(F)F)ccc1O ZINC000575718816 384885658 /nfs/dbraw/zinc/88/56/58/384885658.db2.gz LETHSXSPIKJUFS-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN N#Cc1ccc2c3c(cccc31)C1=NCCN=C21 ZINC000072236473 384842518 /nfs/dbraw/zinc/84/25/18/384842518.db2.gz WQTUXEKCFYHFJN-UHFFFAOYSA-N 0 0 231.258 2.317 10 30 BEEERN Cc1ccc([C@H](C)NC(=O)c2c[nH]c(C#N)c2)o1 ZINC000181155841 384937232 /nfs/dbraw/zinc/93/72/32/384937232.db2.gz ZMWYVHGMBYKQSG-VIFPVBQESA-N 0 0 243.266 2.279 10 30 BEEERN COC(=O)c1ccc(/C=C/C(C)=O)cc1 ZINC000036420631 384997860 /nfs/dbraw/zinc/99/78/60/384997860.db2.gz MVYJNSMNYFBTES-ONEGZZNKSA-N 0 0 204.225 2.075 10 30 BEEERN C=CC[C@@H](CO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000302788163 385019446 /nfs/dbraw/zinc/01/94/46/385019446.db2.gz BWBRWUJLEDTJQL-VIFPVBQESA-N 0 0 240.234 2.083 10 30 BEEERN C=CC[C@H](CO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000302788162 385020285 /nfs/dbraw/zinc/02/02/85/385020285.db2.gz BWBRWUJLEDTJQL-SECBINFHSA-N 0 0 240.234 2.083 10 30 BEEERN C[C@@H](CC1CC1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000188488228 385038593 /nfs/dbraw/zinc/03/85/93/385038593.db2.gz ALANFGDHEFINFE-VIFPVBQESA-N 0 0 244.294 2.182 10 30 BEEERN N#CCCCCNC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000176542514 385125411 /nfs/dbraw/zinc/12/54/11/385125411.db2.gz YUGVZKINGFEFHZ-VXGBXAGGSA-N 0 0 235.331 2.122 10 30 BEEERN CSCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000407967291 385203549 /nfs/dbraw/zinc/20/35/49/385203549.db2.gz PQXSWXVSRRFAAK-VHSXEESVSA-N 0 0 240.372 2.184 10 30 BEEERN O[C@H](C/N=C/c1ccc[nH]1)c1ccccc1 ZINC000238685064 385259272 /nfs/dbraw/zinc/25/92/72/385259272.db2.gz CVXHBDLIUBKMSO-OZYJXZHSSA-N 0 0 214.268 2.167 10 30 BEEERN C[C@H]1CC[C@H](C(=O)N(C)c2ccccc2C#N)O1 ZINC000158201733 385259478 /nfs/dbraw/zinc/25/94/78/385259478.db2.gz MNZHKNAWFROPIE-GXFFZTMASA-N 0 0 244.294 2.089 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)N(C)c2ccccc2C#N)O1 ZINC000158201883 385261095 /nfs/dbraw/zinc/26/10/95/385261095.db2.gz MNZHKNAWFROPIE-MFKMUULPSA-N 0 0 244.294 2.089 10 30 BEEERN C#CCOc1ccc2nc(C(=O)OC)sc2c1 ZINC000575602237 385263572 /nfs/dbraw/zinc/26/35/72/385263572.db2.gz JCZCXXHIEZNLFW-UHFFFAOYSA-N 0 0 247.275 2.095 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cncc(Cl)c1 ZINC000307953722 385358818 /nfs/dbraw/zinc/35/88/18/385358818.db2.gz KHBLSHOKLSRYMW-KWQFWETISA-N 0 0 249.701 2.157 10 30 BEEERN CCn1nc(C)c(CN[C@@H]2CCC[C@@H]2C#N)c1C ZINC000307970606 385369051 /nfs/dbraw/zinc/36/90/51/385369051.db2.gz HCYJAFJQKLMPOH-TZMCWYRMSA-N 0 0 246.358 2.302 10 30 BEEERN N#Cc1ccc(N[C@H]2COc3ccccc32)cn1 ZINC000149390903 385504781 /nfs/dbraw/zinc/50/47/81/385504781.db2.gz DPTDANVKJJWKEW-ZDUSSCGKSA-N 0 0 237.262 2.499 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1nc2c(cc1C#N)CCC2 ZINC000149800296 385516204 /nfs/dbraw/zinc/51/62/04/385516204.db2.gz VMLZTZSQJGCANL-SKDRFNHKSA-N 0 0 243.310 2.031 10 30 BEEERN Cc1csc(CN[C@@H]2CCC[C@H]2C#N)n1 ZINC000054825971 385664560 /nfs/dbraw/zinc/66/45/60/385664560.db2.gz APWXALLCTNYXFG-VHSXEESVSA-N 0 0 221.329 2.233 10 30 BEEERN Cc1sc(CC#N)nc1[C@H]1CCOC1 ZINC000260056535 385660120 /nfs/dbraw/zinc/66/01/20/385660120.db2.gz FASVZZOIYZQMAB-QMMMGPOBSA-N 0 0 208.286 2.022 10 30 BEEERN CC[C@@H]1S[C@H](C)C/C(=N\NC(N)=S)[C@@H]1C ZINC000020581259 385682890 /nfs/dbraw/zinc/68/28/90/385682890.db2.gz UAUHIFSBKYNFHU-SGVQKMTJSA-N 0 0 245.417 2.116 10 30 BEEERN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)C#N)o1 ZINC000182363463 385845179 /nfs/dbraw/zinc/84/51/79/385845179.db2.gz UQVGBQPNROALDX-WCBMZHEXSA-N 0 0 235.287 2.108 10 30 BEEERN COC(=O)c1cc(Cl)c(C)cc1C#N ZINC000307095808 385904742 /nfs/dbraw/zinc/90/47/42/385904742.db2.gz GWAPDPCBDLVMQA-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN N#Cc1cccnc1N[C@@H]1CCC[C@H]1C#N ZINC000390821925 385925228 /nfs/dbraw/zinc/92/52/28/385925228.db2.gz ZWQNEGNDUPOSKP-GXSJLCMTSA-N 0 0 212.256 2.057 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)N(C)c2cccc(C#N)c2)O1 ZINC000128677889 385874367 /nfs/dbraw/zinc/87/43/67/385874367.db2.gz VDDZDRHRUIEEES-MFKMUULPSA-N 0 0 244.294 2.089 10 30 BEEERN CC(C)C[C@H](C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000408241401 385874676 /nfs/dbraw/zinc/87/46/76/385874676.db2.gz WFUUOPCTXSQFGP-SRVKXCTJSA-N 0 0 222.332 2.477 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)N(C)c2cccc(C#N)c2)O1 ZINC000128678096 385875058 /nfs/dbraw/zinc/87/50/58/385875058.db2.gz VDDZDRHRUIEEES-GWCFXTLKSA-N 0 0 244.294 2.089 10 30 BEEERN CC[C@H]1CC[C@H](C)N1c1nccc(C#N)n1 ZINC000231904878 385879752 /nfs/dbraw/zinc/87/97/52/385879752.db2.gz ZCBAUVFBDBJSFL-ONGXEEELSA-N 0 0 216.288 2.116 10 30 BEEERN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000129529072 386038406 /nfs/dbraw/zinc/03/84/06/386038406.db2.gz DSWFKVNVWAUPKC-GWCFXTLKSA-N 0 0 244.294 2.373 10 30 BEEERN CS[C@H]1CC[C@@H](NC2=CC(=O)CC2)C1 ZINC000235265800 386149396 /nfs/dbraw/zinc/14/93/96/386149396.db2.gz SASDKLHMXUPPHZ-KOLCDFICSA-N 0 0 211.330 2.107 10 30 BEEERN Cc1ccc(CN[C@H]2CCC[C@@H]2C#N)cn1 ZINC000062053075 386490567 /nfs/dbraw/zinc/49/05/67/386490567.db2.gz JJVYVPMVPMHTTA-OLZOCXBDSA-N 0 0 215.300 2.172 10 30 BEEERN CCOc1c(C#N)ccc(F)c1CC#N ZINC000575643982 386583627 /nfs/dbraw/zinc/58/36/27/386583627.db2.gz KATLRCKEBVDGOL-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CC(C)(C)CC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061888600 386552639 /nfs/dbraw/zinc/55/26/39/386552639.db2.gz ZSKFNQMYXDDMNT-ZJUUUORDSA-N 0 0 208.305 2.231 10 30 BEEERN C#CCC(=O)Nc1ccccc1Br ZINC000232458251 386642807 /nfs/dbraw/zinc/64/28/07/386642807.db2.gz GIJHESWIVBCKBN-UHFFFAOYSA-N 0 0 238.084 2.411 10 30 BEEERN COC(=O)Cc1cccc(C(F)(F)F)c1C#N ZINC000575345348 386709156 /nfs/dbraw/zinc/70/91/56/386709156.db2.gz UNPKDPJSIDWXGY-UHFFFAOYSA-N 0 0 243.184 2.293 10 30 BEEERN C=C1C(=O)O[C@H]2CC=C(C)[C@@H]3CC[C@](C)(O)[C@@H]3[C@H]12 ZINC000098214454 386683839 /nfs/dbraw/zinc/68/38/39/386683839.db2.gz SELBJLGHKVHXSU-AIUMHDJVSA-N 0 0 248.322 2.211 10 30 BEEERN COC(=O)Cc1cc(C(F)(F)F)ccc1C#N ZINC000575345378 386711723 /nfs/dbraw/zinc/71/17/23/386711723.db2.gz YTAWNLGOLIIYJN-UHFFFAOYSA-N 0 0 243.184 2.293 10 30 BEEERN COC(=O)c1cc(C#N)c(C(F)F)c(OC)c1 ZINC000575343551 386692223 /nfs/dbraw/zinc/69/22/23/386692223.db2.gz HKMZGRDGSCYMMO-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN C#C[C@@H](C)N(C)c1csc(Cl)n1 ZINC000306925688 386712938 /nfs/dbraw/zinc/71/29/38/386712938.db2.gz NFWSIOOYCQTHDX-ZCFIWIBFSA-N 0 0 200.694 2.254 10 30 BEEERN CCOC(=O)CCCC(=O)C#Cc1ccccc1 ZINC000575362582 386772785 /nfs/dbraw/zinc/77/27/85/386772785.db2.gz BCCXMJZBZISXTO-UHFFFAOYSA-N 0 0 244.290 2.341 10 30 BEEERN COC(=O)c1c(OC(F)F)ccc(F)c1C#N ZINC000575385779 386946967 /nfs/dbraw/zinc/94/69/67/386946967.db2.gz KUIAIDWFVIDAOT-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN CCc1cc(C#N)c(CC(=O)OC)cc1CC ZINC000575385195 386943381 /nfs/dbraw/zinc/94/33/81/386943381.db2.gz BQLAFASZWUMHQO-UHFFFAOYSA-N 0 0 231.295 2.399 10 30 BEEERN COC(=O)c1cc(F)c(OC(F)F)c(C#N)c1 ZINC000575386187 386945604 /nfs/dbraw/zinc/94/56/04/386945604.db2.gz YNYJJJKZMCZIMI-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)c1c(C=O)c(C#N)ccc1C(F)F ZINC000575389385 386952788 /nfs/dbraw/zinc/95/27/88/386952788.db2.gz FDUGBRPOAONFGJ-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN COC(=O)c1cc(C#N)cc(C=O)c1C(F)F ZINC000575389353 386952928 /nfs/dbraw/zinc/95/29/28/386952928.db2.gz BEDCOPDWOVZKBC-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN Cc1cnc([C@@H](C)Nc2cc(C)ncc2C#N)o1 ZINC000399519452 386954990 /nfs/dbraw/zinc/95/49/90/386954990.db2.gz QFQWMESFFAJFLT-SNVBAGLBSA-N 0 0 242.282 2.153 10 30 BEEERN COC(=O)c1cc(C=O)c(C#N)cc1C(F)F ZINC000575389764 386955321 /nfs/dbraw/zinc/95/53/21/386955321.db2.gz QJGUYDNZLTWCKB-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN CCOC(=O)Cc1c(C#N)cc(CC)cc1C=O ZINC000575387886 386957015 /nfs/dbraw/zinc/95/70/15/386957015.db2.gz YSQUJIOBKCCLTQ-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1C=O ZINC000575387800 386957494 /nfs/dbraw/zinc/95/74/94/386957494.db2.gz VNUNNQLIPRGTSW-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)c1cc(CC)cc(OC)c1C#N ZINC000575388004 386958632 /nfs/dbraw/zinc/95/86/32/386958632.db2.gz KKQKOAJPNIGBMN-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CCOC(=O)c1c(OC)ccc(C#N)c1CC ZINC000575388053 386958784 /nfs/dbraw/zinc/95/87/84/386958784.db2.gz PVQTZWWJWXCRDR-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN COC(=O)c1c(O)c(C(F)(F)F)ccc1C#N ZINC000575392282 386964581 /nfs/dbraw/zinc/96/45/81/386964581.db2.gz QQURVIYLZPBRAP-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN CCOC(=O)Cc1cc(C#N)c(C=O)c(CC)c1 ZINC000575387583 386949197 /nfs/dbraw/zinc/94/91/97/386949197.db2.gz IZUXBMYVNFZMPL-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN COC(=O)c1c(C)cc(C#N)cc1OC(F)F ZINC000575388569 386950775 /nfs/dbraw/zinc/95/07/75/386950775.db2.gz NFAMZYSEXZHGPB-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN COC(=O)c1cc(C)c(OC(F)F)c(C#N)c1 ZINC000575388189 386950883 /nfs/dbraw/zinc/95/08/83/386950883.db2.gz ADHIMJGBWGIXDQ-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN CCOC(=O)c1c(C#N)cc(CC)cc1OC ZINC000575388159 386950962 /nfs/dbraw/zinc/95/09/62/386950962.db2.gz VWKGNLSCQZPKNX-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN COC(=O)c1cc(C)cc(C#N)c1OC(F)F ZINC000575388671 386951191 /nfs/dbraw/zinc/95/11/91/386951191.db2.gz RNFUAARIPQBYHB-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN CCOC(=O)Cc1ccc(OC)c(C#N)c1CC ZINC000575388174 386951785 /nfs/dbraw/zinc/95/17/85/386951785.db2.gz YTZYESIDAFZYAX-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN CCOC(=O)c1cc(C#N)c(C=O)c(CC)c1 ZINC000575387586 386951978 /nfs/dbraw/zinc/95/19/78/386951978.db2.gz JBFSYHBFAVHARS-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN CCOC(=O)Cc1c(C#N)ccc(CC)c1C=O ZINC000575387691 386951987 /nfs/dbraw/zinc/95/19/87/386951987.db2.gz NSAWLXJSSDSNTP-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOc1cc(CC#N)cc(O)c1OC(F)F ZINC000575656839 387042200 /nfs/dbraw/zinc/04/22/00/387042200.db2.gz OMWHODWUZVZEBN-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN CCOc1cc(O)c(C#N)c(OC(F)F)c1 ZINC000575657744 387043750 /nfs/dbraw/zinc/04/37/50/387043750.db2.gz VQMVUAHVYGMNEV-UHFFFAOYSA-N 0 0 229.182 2.264 10 30 BEEERN N#CCc1cc(F)c(OC(F)F)cc1O ZINC000575659432 387048167 /nfs/dbraw/zinc/04/81/67/387048167.db2.gz OGRZUMBNVOWJRG-UHFFFAOYSA-N 0 0 217.146 2.199 10 30 BEEERN N#CCc1c(F)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575660961 387050759 /nfs/dbraw/zinc/05/07/59/387050759.db2.gz CJMZJJULKPGKAM-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN N#Cc1cc(O)c(F)cc1OC(F)F ZINC000575658009 387050850 /nfs/dbraw/zinc/05/08/50/387050850.db2.gz ABZUGINCZIXHDR-UHFFFAOYSA-N 0 0 203.119 2.004 10 30 BEEERN Cc1cc(CC#N)cc(OC(F)F)c1C=O ZINC000575661458 387063854 /nfs/dbraw/zinc/06/38/54/387063854.db2.gz KODQFIFZFMHJDD-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN C[C@H](C#N)Oc1cc(Br)ccc1N ZINC000575576326 387024509 /nfs/dbraw/zinc/02/45/09/387024509.db2.gz LTBAVPRFANSZCK-ZCFIWIBFSA-N 0 0 241.088 2.322 10 30 BEEERN N#Cc1c(OC(F)F)c(F)ccc1[N+](=O)[O-] ZINC000575661709 387111898 /nfs/dbraw/zinc/11/18/98/387111898.db2.gz UYLZSAMLPHBQHJ-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN N#Cc1c(F)ccc([N+](=O)[O-])c1OC(F)F ZINC000575661661 387112778 /nfs/dbraw/zinc/11/27/78/387112778.db2.gz RYYWAGLYLPQNEJ-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN C[C@H](C#N)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186637702 387116321 /nfs/dbraw/zinc/11/63/21/387116321.db2.gz QIFDGIBFUCEDFS-BXUZGUMPSA-N 0 0 228.295 2.030 10 30 BEEERN Cc1cc(CC#N)cc(C=O)c1OC(F)F ZINC000575662181 387149695 /nfs/dbraw/zinc/14/96/95/387149695.db2.gz YTPKWZAZBCNIQW-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN COc1c(O)ccc(OC(F)F)c1CC#N ZINC000575662552 387193970 /nfs/dbraw/zinc/19/39/70/387193970.db2.gz AGBWYTJJYQFBFN-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN Cc1csc(CNC2=CC(=O)CC2)c1 ZINC000306495503 387219611 /nfs/dbraw/zinc/21/96/11/387219611.db2.gz VSWICGYDDLJVBN-UHFFFAOYSA-N 0 0 207.298 2.393 10 30 BEEERN COc1ccc(O)c(OC(F)F)c1CC#N ZINC000575663191 387268560 /nfs/dbraw/zinc/26/85/60/387268560.db2.gz RZLKVWBGLROYAB-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN CCN(CC)C(=O)Oc1ccc(C#N)cc1 ZINC000103195156 387376830 /nfs/dbraw/zinc/37/68/30/387376830.db2.gz SMSQWKRNCWVZRC-UHFFFAOYSA-N 0 0 218.256 2.399 10 30 BEEERN Cc1c(C#N)cc([N+](=O)[O-])cc1OC(F)F ZINC000575669042 387325770 /nfs/dbraw/zinc/32/57/70/387325770.db2.gz XMPDFDWGTYLKFQ-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN CCOc1ccc(C#N)c(CC)c1[N+](=O)[O-] ZINC000575670007 387332962 /nfs/dbraw/zinc/33/29/62/387332962.db2.gz CNDIFLWGYOOFQL-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN CCOc1c(C#N)cc([N+](=O)[O-])cc1CC ZINC000575670587 387334459 /nfs/dbraw/zinc/33/44/59/387334459.db2.gz NZMXVVDKWBBJAF-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN CCOc1cc(C#N)c(C)cc1[N+](=O)[O-] ZINC000575670514 387334777 /nfs/dbraw/zinc/33/47/77/387334777.db2.gz KQUKFXREJJYAOI-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CCOc1cc(C#N)cc([N+](=O)[O-])c1C ZINC000575671465 387335061 /nfs/dbraw/zinc/33/50/61/387335061.db2.gz SGIIVVFZWNVLPW-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CCOc1cc(C#N)c([N+](=O)[O-])cc1F ZINC000575670971 387335852 /nfs/dbraw/zinc/33/58/52/387335852.db2.gz QZWPFTUKFKPLNR-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN COc1cc(C#N)cc(OC)c1OC(F)(F)F ZINC000575671576 387336314 /nfs/dbraw/zinc/33/63/14/387336314.db2.gz MKBIXMRATGZUBP-UHFFFAOYSA-N 0 0 247.172 2.474 10 30 BEEERN CCOc1cc(C)c(C#N)cc1[N+](=O)[O-] ZINC000575671825 387341411 /nfs/dbraw/zinc/34/14/11/387341411.db2.gz XXFWYDCHSZTMSY-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN COc1cc(C#N)c(OC)c(OC(F)F)c1 ZINC000575672035 387342393 /nfs/dbraw/zinc/34/23/93/387342393.db2.gz VBXSIPWGHXQPJT-UHFFFAOYSA-N 0 0 229.182 2.177 10 30 BEEERN N#CCc1ccc(N)c(C(F)(F)F)c1O ZINC000575719378 387425977 /nfs/dbraw/zinc/42/59/77/387425977.db2.gz SGEURMNHXPYKPI-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN N#CCc1c(N)c(F)ccc1Br ZINC000575714932 387428810 /nfs/dbraw/zinc/42/88/10/387428810.db2.gz WHLVDHDRWICUMR-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#CCc1ccc(O)c(C(F)(F)F)c1N ZINC000575718974 387429084 /nfs/dbraw/zinc/42/90/84/387429084.db2.gz LYWYLMNMBYZBPR-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN COc1ccc(Br)c(N)c1CC#N ZINC000575715256 387430782 /nfs/dbraw/zinc/43/07/82/387430782.db2.gz YTIWTXKDIXXGGP-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN COc1cc(CC#N)c(N)cc1C(F)(F)F ZINC000575716375 387432673 /nfs/dbraw/zinc/43/26/73/387432673.db2.gz FMRCRRYXFCAAPT-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN CCOc1cc(CC#N)c(N)c(OC(F)F)c1 ZINC000575716964 387434879 /nfs/dbraw/zinc/43/48/79/387434879.db2.gz ZSSRXEHIVRXQDB-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN N#CCc1c(C(F)(F)F)ccc(N)c1[N+](=O)[O-] ZINC000575720390 387441145 /nfs/dbraw/zinc/44/11/45/387441145.db2.gz VGZDCJKZSZBGLB-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN N#CCc1cc(N)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575720146 387441750 /nfs/dbraw/zinc/44/17/50/387441750.db2.gz RRHUKEDTQXVKNR-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)/C=C/Cl ZINC000575521447 387452385 /nfs/dbraw/zinc/45/23/85/387452385.db2.gz WAMVIKRWLNXRGO-MUBGYEDJSA-N 0 0 202.681 2.368 10 30 BEEERN CCOc1cc(C)c(CC#N)c(OC)c1 ZINC000575698312 387393100 /nfs/dbraw/zinc/39/31/00/387393100.db2.gz KDLLBTOEMWBYBF-UHFFFAOYSA-N 0 0 205.257 2.468 10 30 BEEERN CCc1cc(OC)c(CC#N)c(OC)c1 ZINC000575695010 387394674 /nfs/dbraw/zinc/39/46/74/387394674.db2.gz CZFXHYLBYULTSN-UHFFFAOYSA-N 0 0 205.257 2.332 10 30 BEEERN Cc1nnc(NCCOCC(C)C)c(C#N)c1C ZINC000052456720 387478052 /nfs/dbraw/zinc/47/80/52/387478052.db2.gz LBWIISUMQVAPTA-UHFFFAOYSA-N 0 0 248.330 2.050 10 30 BEEERN C=C1CN(C(=O)C2=CC(=S)CS2)C1 ZINC000575536466 387577091 /nfs/dbraw/zinc/57/70/91/387577091.db2.gz HGERMMRXFJKGNV-UHFFFAOYSA-N 0 0 211.311 2.049 10 30 BEEERN CCOc1cc(CC#N)c(C#N)c(OCC)c1 ZINC000575638417 387835597 /nfs/dbraw/zinc/83/55/97/387835597.db2.gz QSBSHHICEIGYHW-UHFFFAOYSA-N 0 0 230.267 2.422 10 30 BEEERN COc1cc(C#N)cc(OC(F)F)c1CC#N ZINC000575639549 387836907 /nfs/dbraw/zinc/83/69/07/387836907.db2.gz AYCLMSUWUBJCAI-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN COc1cc(C#N)c(CC#N)cc1OC(F)F ZINC000575640310 387838251 /nfs/dbraw/zinc/83/82/51/387838251.db2.gz HGUUWLCDCUIGLJ-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN N#CCc1cc(OC(F)F)cc(C#N)c1F ZINC000575639803 387841331 /nfs/dbraw/zinc/84/13/31/387841331.db2.gz JUGIUROIYXAISK-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN COc1cc(OC(F)F)cc(CC#N)c1C#N ZINC000575642070 387845551 /nfs/dbraw/zinc/84/55/51/387845551.db2.gz VTUSARBXVPZDTA-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN Cc1ccc(CC(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000061888382 387848096 /nfs/dbraw/zinc/84/80/96/387848096.db2.gz FJZUIPVELPNQEG-KBPBESRZSA-N 0 0 242.322 2.346 10 30 BEEERN Cc1ccsc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000061888666 387848748 /nfs/dbraw/zinc/84/87/48/387848748.db2.gz QHGCDEWKGQSHIQ-UWVGGRQHSA-N 0 0 234.324 2.479 10 30 BEEERN COc1cccc2c1CCN([C@H](C)C#N)CC2 ZINC000193705811 387861223 /nfs/dbraw/zinc/86/12/23/387861223.db2.gz ODBAEVBRTXSUQU-LLVKDONJSA-N 0 0 230.311 2.008 10 30 BEEERN CCOc1ccc(C#N)c(F)c1CC#N ZINC000575643352 387865148 /nfs/dbraw/zinc/86/51/48/387865148.db2.gz FDGSQNJUXMCNBI-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCOc1ccc(F)c(C#N)c1CC#N ZINC000575644434 387872664 /nfs/dbraw/zinc/87/26/64/387872664.db2.gz MUWDBIDXQXKLAH-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCc1cc(OC(F)F)c(C#N)cc1O ZINC000575653198 387894730 /nfs/dbraw/zinc/89/47/30/387894730.db2.gz ADKGPKXFUTWSAC-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCc1cc(C#N)c(O)c(OC(F)F)c1 ZINC000575654279 387897763 /nfs/dbraw/zinc/89/77/63/387897763.db2.gz XWXGQTGNZFEEAK-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCOc1cc(C#N)c(CC#N)c(OC)c1 ZINC000575644732 387876939 /nfs/dbraw/zinc/87/69/39/387876939.db2.gz DYGZMNQNFWFXSZ-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN CCc1cc(C#N)cc(OC)c1CC#N ZINC000575647759 387883154 /nfs/dbraw/zinc/88/31/54/387883154.db2.gz UIVLZYNSAXJFMQ-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN Cc1cc(C)c(N2C[C@H](C#N)CC2=O)c(C)c1 ZINC000011894208 177865225 /nfs/dbraw/zinc/86/52/25/177865225.db2.gz FDTFNJMYWHPWNE-LBPRGKRZSA-N 0 0 228.295 2.488 10 30 BEEERN C=CCCC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177181362 387914799 /nfs/dbraw/zinc/91/47/99/387914799.db2.gz UNBMDALWEVXRRS-CYBMUJFWSA-N 0 0 247.342 2.149 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@@H]2CCCC[C@@H]2O)n1 ZINC000052006576 177838227 /nfs/dbraw/zinc/83/82/27/177838227.db2.gz XLYONOJSQCQHNS-OLZOCXBDSA-N 0 0 245.326 2.286 10 30 BEEERN C=C(C)C(=O)c1ccc2c(c1)OCCO2 ZINC000071508834 388096550 /nfs/dbraw/zinc/09/65/50/388096550.db2.gz FLNNURKIDQLUNT-UHFFFAOYSA-N 0 0 204.225 2.217 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1snc(Cl)c1C#N ZINC000270802377 388366630 /nfs/dbraw/zinc/36/66/30/388366630.db2.gz UPMKCRBBDBFJLW-CAHLUQPWSA-N 0 0 243.719 2.257 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1ccc(C#N)cc1 ZINC000134059033 388392338 /nfs/dbraw/zinc/39/23/38/388392338.db2.gz YJOVYUDCYPWZRJ-JOYOIKCWSA-N 0 0 202.257 2.148 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1ncc(C#N)cc1Cl ZINC000153233955 388393280 /nfs/dbraw/zinc/39/32/80/388393280.db2.gz QGHZBEJACGIMEJ-OIBJUYFYSA-N 0 0 237.690 2.196 10 30 BEEERN CN[C@H](C#N)c1cc(Br)cs1 ZINC000041677458 388439456 /nfs/dbraw/zinc/43/94/56/388439456.db2.gz MMAUAYWYFDZSMJ-ZCFIWIBFSA-N 0 0 231.118 2.295 10 30 BEEERN CC[C@@](C)(C#N)C(=O)NC[C@@H](C)C(C)C ZINC000136261001 388528994 /nfs/dbraw/zinc/52/89/94/388528994.db2.gz OQYABFAPYFCDGM-PWSUYJOCSA-N 0 0 210.321 2.335 10 30 BEEERN C[C@H]1C[C@H]1Nc1nc2ccccn2c1C#N ZINC000272917849 388531152 /nfs/dbraw/zinc/53/11/52/388531152.db2.gz PSKWXOWABYKLAK-DTWKUNHWSA-N 0 0 212.256 2.026 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000302196893 388586380 /nfs/dbraw/zinc/58/63/80/388586380.db2.gz OXTQSEZUOQTEJU-UTLUCORTSA-N 0 0 242.269 2.230 10 30 BEEERN O/N=C(/c1ccccc1)c1cc(O)ccc1O ZINC000109094489 388586381 /nfs/dbraw/zinc/58/63/81/388586381.db2.gz JWGKUAYCNSMLSH-YPKPFQOOSA-N 0 0 229.235 2.324 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC(F)(F)C1 ZINC000302196890 388586653 /nfs/dbraw/zinc/58/66/53/388586653.db2.gz OXTQSEZUOQTEJU-GUBZILKMSA-N 0 0 242.269 2.230 10 30 BEEERN Cc1cnc(CCNc2cccc(C#N)n2)s1 ZINC000301406554 388611966 /nfs/dbraw/zinc/61/19/66/388611966.db2.gz HCWFDVLVHCCQIE-UHFFFAOYSA-N 0 0 244.323 2.373 10 30 BEEERN C[C@@H]1CSC[C@]1(O)c1ccc(C#N)cc1 ZINC000521401496 388671903 /nfs/dbraw/zinc/67/19/03/388671903.db2.gz INJGUVONGVAMMP-BXKDBHETSA-N 0 0 219.309 2.129 10 30 BEEERN C[C@H]1SCC[C@]1(O)c1cccc(C#N)c1 ZINC000521401556 388672336 /nfs/dbraw/zinc/67/23/36/388672336.db2.gz JBCFWRDTCPEFJB-BXKDBHETSA-N 0 0 219.309 2.271 10 30 BEEERN Cc1nc(CN(C)c2ccc(C#N)cc2F)no1 ZINC000302194477 388620900 /nfs/dbraw/zinc/62/09/00/388620900.db2.gz SDHBAUKGBONELN-UHFFFAOYSA-N 0 0 246.245 2.025 10 30 BEEERN CCC[C@H]1C[C@H]1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000230185879 388635543 /nfs/dbraw/zinc/63/55/43/388635543.db2.gz KLGSFIZQUXYZBO-WCBMZHEXSA-N 0 0 246.270 2.462 10 30 BEEERN Cc1cc(C)c(Br)c(C#N)n1 ZINC000075620085 388661064 /nfs/dbraw/zinc/66/10/64/388661064.db2.gz NYQPJDPJAUKANE-UHFFFAOYSA-N 0 0 211.062 2.333 10 30 BEEERN CN(C[C@@H]1CCCO1)c1cccc(F)c1C#N ZINC000112214032 388664658 /nfs/dbraw/zinc/66/46/58/388664658.db2.gz MFLUSQCMMFXCQY-JTQLQIEISA-N 0 0 234.274 2.313 10 30 BEEERN CC[C@H](COC)NC(=O)c1ccc(C#N)cc1C ZINC000124688461 388752889 /nfs/dbraw/zinc/75/28/89/388752889.db2.gz VXPZCSCQAAYDJQ-GFCCVEGCSA-N 0 0 246.310 2.022 10 30 BEEERN C[C@H]1C[NH+](CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000127042764 388712593 /nfs/dbraw/zinc/71/25/93/388712593.db2.gz URVMVWCUTOKXAQ-RYUDHWBXSA-N 0 0 224.348 2.426 10 30 BEEERN Cc1nsc(N2C[C@H]3CCC[C@H]32)c1C#N ZINC000334473041 388824322 /nfs/dbraw/zinc/82/43/22/388824322.db2.gz IQVBJORNLXURJY-PSASIEDQSA-N 0 0 219.313 2.312 10 30 BEEERN C#Cc1cccc(N(C)C[C@@H](O)C(F)(F)F)c1 ZINC000121198838 533346258 /nfs/dbraw/zinc/34/62/58/533346258.db2.gz RIVUARRXOHZWJM-LLVKDONJSA-N 0 0 243.228 2.027 10 30 BEEERN N#Cc1ccc(Cl)cc1NCC1CC(O)C1 ZINC000084448744 322835922 /nfs/dbraw/zinc/83/59/22/322835922.db2.gz PFCZUBUZWZYKMW-UHFFFAOYSA-N 0 0 236.702 2.394 10 30 BEEERN C[C@H]1SCCN(c2ccc(C#N)nc2)[C@@H]1C ZINC000135503537 132240676 /nfs/dbraw/zinc/24/06/76/132240676.db2.gz KTYQQSIZLXNBNR-NXEZZACHSA-N 0 0 233.340 2.283 10 30 BEEERN C[C@H]1C[C@H](C)CN(c2ccc(/C(N)=N/O)cc2)C1 ZINC000019865820 132327810 /nfs/dbraw/zinc/32/78/10/132327810.db2.gz GAEIMAJFMSOREW-QWRGUYRKSA-N 0 0 247.342 2.263 10 30 BEEERN C[C@@H]1C[C@@H](C)CN(c2ccc(/C(N)=N/O)cc2)C1 ZINC000019865810 132328027 /nfs/dbraw/zinc/32/80/27/132328027.db2.gz GAEIMAJFMSOREW-GHMZBOCLSA-N 0 0 247.342 2.263 10 30 BEEERN C[C@@H]1C[C@@H](C)CN(c2ccccc2/C(N)=N/O)C1 ZINC000020075986 132329567 /nfs/dbraw/zinc/32/95/67/132329567.db2.gz UIBSUUSULYCHHH-GHMZBOCLSA-N 0 0 247.342 2.263 10 30 BEEERN Cc1cccc(N2CCN(C[C@H](C)C#N)CC2)c1 ZINC000031945832 132334618 /nfs/dbraw/zinc/33/46/18/132334618.db2.gz QMIRBXNURUJNEB-CQSZACIVSA-N 0 0 243.354 2.277 10 30 BEEERN C[C@H](C#N)CN1c2ccccc2CCC1=O ZINC000036677070 132342274 /nfs/dbraw/zinc/34/22/74/132342274.db2.gz BPXNXGUXHBPAFR-SNVBAGLBSA-N 0 0 214.268 2.125 10 30 BEEERN C[C@@H](CC#N)N1CCN(c2ccccc2F)CC1 ZINC000037746600 132345288 /nfs/dbraw/zinc/34/52/88/132345288.db2.gz HFSKWWUTFNJZTE-LBPRGKRZSA-N 0 0 247.317 2.250 10 30 BEEERN CCO[C@@H]1CCCN(c2ccc(C#N)cc2N)C1 ZINC000042421386 132351508 /nfs/dbraw/zinc/35/15/08/132351508.db2.gz PYJQNJXXJZTKEM-GFCCVEGCSA-N 0 0 245.326 2.146 10 30 BEEERN C[C@H](CC#N)N1CCN(c2ccc(F)cc2)CC1 ZINC000048208960 132355162 /nfs/dbraw/zinc/35/51/62/132355162.db2.gz ICFPUVWIFZINIK-GFCCVEGCSA-N 0 0 247.317 2.250 10 30 BEEERN N#Cc1ccc(C(=O)NC2(C#N)CCCC2)cc1 ZINC000040215074 133462913 /nfs/dbraw/zinc/46/29/13/133462913.db2.gz DMVOAAXOKMQOJB-UHFFFAOYSA-N 0 0 239.278 2.124 10 30 BEEERN C#Cc1cccc(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076033899 133655357 /nfs/dbraw/zinc/65/53/57/133655357.db2.gz DCHRHSYAHHJRFG-JOYOIKCWSA-N 0 0 214.268 2.198 10 30 BEEERN C[C@@H](NC(=O)[C@@H](C)c1cncnc1)[C@H]1CCCO1 ZINC000330304975 134001399 /nfs/dbraw/zinc/00/13/99/134001399.db2.gz QHRDYHVESIOZSW-HOSYDEDBSA-N 0 0 249.314 2.104 10 30 BEEERN CC(C)(C(=O)N[C@H]1CCC[C@H]1C#N)C(F)F ZINC000336624978 134152099 /nfs/dbraw/zinc/15/20/99/134152099.db2.gz OGARGOGWJQTSBG-YUMQZZPRSA-N 0 0 230.258 2.086 10 30 BEEERN Cc1cccc(NC[C@@H]2CCCN2CCC#N)n1 ZINC000369901035 134223444 /nfs/dbraw/zinc/22/34/44/134223444.db2.gz SDVBPCJITSHAIE-ZDUSSCGKSA-N 0 0 244.342 2.180 10 30 BEEERN COc1ccc([C@@H](C)NCCC#N)cc1F ZINC000020200025 134223796 /nfs/dbraw/zinc/22/37/96/134223796.db2.gz JNQDAPGCSZVPME-SECBINFHSA-N 0 0 222.263 2.399 10 30 BEEERN COc1ccc([C@@H](C)NCC#N)cc1F ZINC000120142162 134228370 /nfs/dbraw/zinc/22/83/70/134228370.db2.gz KVQHSAZKNSBWSC-MRVPVSSYSA-N 0 0 208.236 2.008 10 30 BEEERN C[C@@H](C#N)N1CCC[C@H]1c1nccs1 ZINC000371694823 134229134 /nfs/dbraw/zinc/22/91/34/134229134.db2.gz UYUKPKBDLUSTIF-IUCAKERBSA-N 0 0 207.302 2.192 10 30 BEEERN C=C(C)CN(CC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000121360219 134233340 /nfs/dbraw/zinc/23/33/40/134233340.db2.gz AVSBIJZQQCNRTP-NWDGAFQWSA-N 0 0 240.347 2.162 10 30 BEEERN CCCC(C#N)(CCC)NC(=O)[C@H](C)COC ZINC000121839475 134235998 /nfs/dbraw/zinc/23/59/98/134235998.db2.gz NALUZEHPEVHUCA-LLVKDONJSA-N 0 0 240.347 2.248 10 30 BEEERN C=C(C)CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000122972057 134241969 /nfs/dbraw/zinc/24/19/69/134241969.db2.gz DHHPPSUDYLIURN-NSHDSACASA-N 0 0 244.294 2.018 10 30 BEEERN Cc1cccc(C)c1C(=O)N[C@H](C#N)C1CC1 ZINC000218711068 134259698 /nfs/dbraw/zinc/25/96/98/134259698.db2.gz FKSNGCMYOCTNQD-GFCCVEGCSA-N 0 0 228.295 2.335 10 30 BEEERN C=CCNC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179509159 134321002 /nfs/dbraw/zinc/32/10/02/134321002.db2.gz FIBAYXGLTQJFNK-UHFFFAOYSA-N 0 0 242.282 2.384 10 30 BEEERN C[C@H](C#N)N(C)C[C@@H]1OCCc2ccccc21 ZINC000226917916 134371683 /nfs/dbraw/zinc/37/16/83/134371683.db2.gz KOJTYLVOZHBAPS-RISCZKNCSA-N 0 0 230.311 2.144 10 30 BEEERN Cc1nnc(N[C@H]2CCC[C@@H]2C#N)c(C#N)c1C ZINC000408108411 134394330 /nfs/dbraw/zinc/39/43/30/134394330.db2.gz UUECUUYIAHDFOE-PWSUYJOCSA-N 0 0 241.298 2.069 10 30 BEEERN C[C@H](CC#N)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000063095384 134395950 /nfs/dbraw/zinc/39/59/50/134395950.db2.gz HIXDKTBCXSKOGH-LLVKDONJSA-N 0 0 247.298 2.371 10 30 BEEERN C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cn1 ZINC000230057695 134479547 /nfs/dbraw/zinc/47/95/47/134479547.db2.gz LUMISOJPJGQSDM-ONGXEEELSA-N 0 0 229.283 2.328 10 30 BEEERN C=C(C)COCCNC(=O)[C@@H]1CCC[C@@H]1C ZINC000230059731 134480016 /nfs/dbraw/zinc/48/00/16/134480016.db2.gz SOYRBMKBHAHJCY-NWDGAFQWSA-N 0 0 225.332 2.132 10 30 BEEERN CC[C@H](CC#N)NC(=O)[C@H]1CCC[C@@H]1C ZINC000231034807 134539125 /nfs/dbraw/zinc/53/91/25/134539125.db2.gz RLXUIBANPQDZJC-AXFHLTTASA-N 0 0 208.305 2.231 10 30 BEEERN C=CCN(C(=O)N1CCC(C)CC1)C1CC1 ZINC000127624243 134611222 /nfs/dbraw/zinc/61/12/22/134611222.db2.gz MJGHWCYOFTXWEQ-UHFFFAOYSA-N 0 0 222.332 2.489 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)N(C)[C@H](C)CC#N ZINC000120519478 134637742 /nfs/dbraw/zinc/63/77/42/134637742.db2.gz AZTRWTDMBPJQTM-LLVKDONJSA-N 0 0 241.294 2.241 10 30 BEEERN CC(C)[C@H](O)CC(=O)Nc1ccc(CC#N)cc1 ZINC000154448320 134816113 /nfs/dbraw/zinc/81/61/13/134816113.db2.gz BHBSRGJPWUFWHO-CYBMUJFWSA-N 0 0 246.310 2.098 10 30 BEEERN C=CCSCC(=O)NC1CCCCC1 ZINC000006185942 134863205 /nfs/dbraw/zinc/86/32/05/134863205.db2.gz ZXCNERRDVGURDX-UHFFFAOYSA-N 0 0 213.346 2.355 10 30 BEEERN C[C@H](Cc1ccccc1)C(=O)N[C@H](C#N)C1CC1 ZINC000112047880 135026200 /nfs/dbraw/zinc/02/62/00/135026200.db2.gz BQLZKSYCQNEQOR-BXUZGUMPSA-N 0 0 242.322 2.284 10 30 BEEERN C[C@H](C#N)CN(C)C[C@H]1Cc2ccccc2O1 ZINC000251145319 135065249 /nfs/dbraw/zinc/06/52/49/135065249.db2.gz XCRLRNJEOOAAGY-DGCLKSJQSA-N 0 0 230.311 2.082 10 30 BEEERN CCS[C@H]1CC[C@H](Nc2nccnc2C#N)C1 ZINC000078586494 135395276 /nfs/dbraw/zinc/39/52/76/135395276.db2.gz RUPIWJMSYKMESV-UWVGGRQHSA-N 0 0 248.355 2.434 10 30 BEEERN O=C(N[C@H]1CCC(=O)NC1)[C@H]1C[C@@H]1C1CC1 ZINC000328807340 135465839 /nfs/dbraw/zinc/46/58/39/135465839.db2.gz IGOAJNSKXNVZTM-AEJSXWLSSA-N 0 0 222.288 2.108 10 30 BEEERN N#Cc1cscc1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000335346330 136066526 /nfs/dbraw/zinc/06/65/26/136066526.db2.gz LEDAQRCDPYNKTH-GZMMTYOYSA-N 0 0 232.308 2.244 10 30 BEEERN N#CCc1cc(F)cc(Br)c1N ZINC000238633040 397938352 /nfs/dbraw/zinc/93/83/52/397938352.db2.gz ZGRJTXOTFGJUED-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN N#Cc1c(F)c([N+](=O)[O-])ccc1Br ZINC000306618069 397941342 /nfs/dbraw/zinc/94/13/42/397941342.db2.gz RVFTVZZZESUVRJ-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN Cc1cscc1NC(=O)CCS ZINC000307078525 397977387 /nfs/dbraw/zinc/97/73/87/397977387.db2.gz MXRGBELNKQNIQV-UHFFFAOYSA-N 0 0 201.316 2.315 10 30 BEEERN CC1(CNC(=O)C#CBr)CCCC1 ZINC000307142801 397988306 /nfs/dbraw/zinc/98/83/06/397988306.db2.gz KNNAZVIKEGJUDC-UHFFFAOYSA-N 0 0 244.132 2.039 10 30 BEEERN C#Cc1cc(C)ccc1NC(=O)NCC ZINC000584616389 398078529 /nfs/dbraw/zinc/07/85/29/398078529.db2.gz CWEZPKYPUGECIN-UHFFFAOYSA-N 0 0 202.257 2.118 10 30 BEEERN O=C(/C=C/CCO)Sc1ccccc1 ZINC000584647889 398080794 /nfs/dbraw/zinc/08/07/94/398080794.db2.gz OXJWFFQVSWQXMU-XBXARRHUSA-N 0 0 208.282 2.244 10 30 BEEERN C[C@@H](C#N)N(CCC#N)Cc1ccccc1 ZINC000584641914 398084730 /nfs/dbraw/zinc/08/47/30/398084730.db2.gz YYCAAMWWULBXMO-LBPRGKRZSA-N 0 0 213.284 2.314 10 30 BEEERN CC(C)(C=O)C[S@](=O)c1ccccc1 ZINC000584646638 398086438 /nfs/dbraw/zinc/08/64/38/398086438.db2.gz YBTMJOZFEIOUDS-AWEZNQCLSA-N 0 0 210.298 2.019 10 30 BEEERN C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000295049342 398104069 /nfs/dbraw/zinc/10/40/69/398104069.db2.gz PHVLSHJHEWXADC-HZMBPMFUSA-N 0 0 248.301 2.043 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061889280 398107822 /nfs/dbraw/zinc/10/78/22/398107822.db2.gz PCDCROSOIBHNDP-OLZOCXBDSA-N 0 0 228.295 2.417 10 30 BEEERN CNc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061890828 398108124 /nfs/dbraw/zinc/10/81/24/398108124.db2.gz UTFUJLDHDPDUAK-CMPLNLGQSA-N 0 0 243.310 2.150 10 30 BEEERN CC(C)N[C@@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000037902548 167135911 /nfs/dbraw/zinc/13/59/11/167135911.db2.gz IWBHDDAMAXOQHX-AWEZNQCLSA-N 0 0 231.343 2.489 10 30 BEEERN C#CCN[C@H](C(=O)OCC)c1cc(C)cc(C)c1 ZINC000051965623 166192732 /nfs/dbraw/zinc/19/27/32/166192732.db2.gz GPBLAUBJGITDNE-AWEZNQCLSA-N 0 0 245.322 2.130 10 30 BEEERN C=CCNC(=O)CNc1cc(C)ccc1C ZINC000032013306 166369594 /nfs/dbraw/zinc/36/95/94/166369594.db2.gz ASDZGRLBUNDHKE-UHFFFAOYSA-N 0 0 218.300 2.018 10 30 BEEERN C=CCNC(=O)CNc1cccc(C)c1C ZINC000032013305 166370569 /nfs/dbraw/zinc/37/05/69/166370569.db2.gz OGDZDIBMWNBCTN-UHFFFAOYSA-N 0 0 218.300 2.018 10 30 BEEERN C=CCNC(=O)[C@@H](C)Nc1cc(F)ccc1F ZINC000020359311 166384363 /nfs/dbraw/zinc/38/43/63/166384363.db2.gz YEDIRGODCSEKRG-MRVPVSSYSA-N 0 0 240.253 2.067 10 30 BEEERN C=CC[NH2+][C@@](C)(C(=O)[O-])c1ccccc1Cl ZINC000041731779 166406160 /nfs/dbraw/zinc/40/61/60/166406160.db2.gz ISXYHKFDEWOPKI-GFCCVEGCSA-N 0 0 239.702 2.415 10 30 BEEERN CC(C)(C)OC(=O)Nc1cnccc1C#N ZINC000039094214 166669810 /nfs/dbraw/zinc/66/98/10/166669810.db2.gz FXYUIIRPQMDCPQ-UHFFFAOYSA-N 0 0 219.244 2.300 10 30 BEEERN CC(C)CN[C@@]1(C#N)CCOc2ccccc21 ZINC000037939247 167011981 /nfs/dbraw/zinc/01/19/81/167011981.db2.gz QRDNXSBPORJJRD-CQSZACIVSA-N 0 0 230.311 2.434 10 30 BEEERN CC(C)COCC(=O)Nc1ccccc1C#N ZINC000019847385 167022356 /nfs/dbraw/zinc/02/23/56/167022356.db2.gz ZLURYKDDDGTBAW-UHFFFAOYSA-N 0 0 232.283 2.169 10 30 BEEERN CC(C)N[C@@]1(C#N)CCc2ccccc21 ZINC000034973816 167136244 /nfs/dbraw/zinc/13/62/44/167136244.db2.gz ZTYQYBGMKWVYCS-CYBMUJFWSA-N 0 0 200.285 2.350 10 30 BEEERN CC(C)N[C@H](C#N)COc1cc(F)cc(F)c1 ZINC000054933794 167136484 /nfs/dbraw/zinc/13/64/84/167136484.db2.gz MNCQOXYTJPRNSO-LLVKDONJSA-N 0 0 240.253 2.234 10 30 BEEERN CC(C)N[C@@]1(C#N)CCN(Cc2ccccc2)C1 ZINC000036924615 167136581 /nfs/dbraw/zinc/13/65/81/167136581.db2.gz FFOJCNJRGCQVMB-OAHLLOKOSA-N 0 0 243.354 2.153 10 30 BEEERN CC(C)OCc1ccc(F)c(C#CCCO)c1 ZINC000049621005 167272366 /nfs/dbraw/zinc/27/23/66/167272366.db2.gz DJLLNYZKCGZNSZ-UHFFFAOYSA-N 0 0 236.286 2.485 10 30 BEEERN CC(C)Oc1cc(OC2CC2)c(C#N)cn1 ZINC000095719577 167288844 /nfs/dbraw/zinc/28/88/44/167288844.db2.gz MFBIBJFJWDMVDR-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)Oc1nc(N(C)C[C@@H](C)C#N)ccc1N ZINC000042455148 167312035 /nfs/dbraw/zinc/31/20/35/167312035.db2.gz JKFGADPRSXBFDW-JTQLQIEISA-N 0 0 248.330 2.047 10 30 BEEERN CC(C)[C@@H](C)NC(=O)c1cccc(C#N)c1 ZINC000020304739 167378963 /nfs/dbraw/zinc/37/89/63/167378963.db2.gz ZTKVASMFPXFOLR-SNVBAGLBSA-N 0 0 216.284 2.333 10 30 BEEERN C=CCCC(=O)N(C)c1cccnc1OC ZINC000133138719 411182921 /nfs/dbraw/zinc/18/29/21/411182921.db2.gz XFZHVONQBGVULX-UHFFFAOYSA-N 0 0 220.272 2.019 10 30 BEEERN CCC[C@H]1C[C@@H]1NC(=O)Cc1ccc(C#N)cc1 ZINC000231691964 411186040 /nfs/dbraw/zinc/18/60/40/411186040.db2.gz MUICOLGBOCCJSD-KBPBESRZSA-N 0 0 242.322 2.406 10 30 BEEERN CC1(C)CC2=C(O1)c1ccccc1C(=O)C2=O ZINC000028870999 167889311 /nfs/dbraw/zinc/88/93/11/167889311.db2.gz DMSVAEFGRLMACV-UHFFFAOYSA-N 0 0 228.247 2.362 10 30 BEEERN CC1=C2OC(C)(C)O[C@H]2CC(C)(C)C1=O ZINC000040435200 168090680 /nfs/dbraw/zinc/09/06/80/168090680.db2.gz XNMQNTGJBBMQIX-QMMMGPOBSA-N 0 0 210.273 2.411 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@H]1CCC[C@@H]1OC ZINC000050374307 168261040 /nfs/dbraw/zinc/26/10/40/168261040.db2.gz XPJAGEDASMJDIN-QWRGUYRKSA-N 0 0 238.331 2.000 10 30 BEEERN CCC(C)(C)N/C(=N/O)Nc1cccnc1 ZINC000032130993 168288545 /nfs/dbraw/zinc/28/85/45/168288545.db2.gz HOAATCVKKYCUEQ-UHFFFAOYSA-N 0 0 222.292 2.017 10 30 BEEERN Cc1cccc(CNc2cc(C#N)ccn2)n1 ZINC000051576935 411438876 /nfs/dbraw/zinc/43/88/76/411438876.db2.gz IFOFSBLKLCBIOE-UHFFFAOYSA-N 0 0 224.267 2.269 10 30 BEEERN CCNC(=S)N/N=C(/C)C1CCCCC1 ZINC000006154263 170105386 /nfs/dbraw/zinc/10/53/86/170105386.db2.gz OQRSBPCJPBIMCI-LCYFTJDESA-N 0 0 227.377 2.427 10 30 BEEERN CCNc1cc(CN(CC)CCC#N)ccn1 ZINC000052727924 170172093 /nfs/dbraw/zinc/17/20/93/170172093.db2.gz KXPUJMKVTDJPDN-UHFFFAOYSA-N 0 0 232.331 2.249 10 30 BEEERN CCOC(=O)C(C)(C)/N=C/c1ccccc1 ZINC000022063674 170185234 /nfs/dbraw/zinc/18/52/34/170185234.db2.gz KQZUKJIXUJVJRH-GXDHUFHOSA-N 0 0 219.284 2.447 10 30 in-vitro BEEERN CCOC(=O)CCOc1ccc(C#N)cc1F ZINC000075881252 170211008 /nfs/dbraw/zinc/21/10/08/170211008.db2.gz PIUAEZXLSIWLIE-UHFFFAOYSA-N 0 0 237.230 2.029 10 30 BEEERN CCOC(=O)[C@H](C#N)CCc1ccccc1 ZINC000097054078 170262935 /nfs/dbraw/zinc/26/29/35/170262935.db2.gz CZZKRHOLRJNATP-LBPRGKRZSA-N 0 0 217.268 2.322 10 30 BEEERN CCOC(=O)[C@H](C#N)Cc1ccc(F)cc1F ZINC000074468165 170263064 /nfs/dbraw/zinc/26/30/64/170263064.db2.gz NQIIJHBOFWPZKD-VIFPVBQESA-N 0 0 239.221 2.210 10 30 BEEERN CCOC(=O)[C@H](C#N)c1cncc2ccccc21 ZINC000044197570 170263962 /nfs/dbraw/zinc/26/39/62/170263962.db2.gz WAKMXXMRJZAELC-GFCCVEGCSA-N 0 0 240.262 2.405 10 30 BEEERN CCOC(=O)[C@H](C#N)c1nccc2ccccc21 ZINC000082305670 170263993 /nfs/dbraw/zinc/26/39/93/170263993.db2.gz HYKLIMCYRNNCMX-GFCCVEGCSA-N 0 0 240.262 2.405 10 30 BEEERN CCOC(=O)[C@H](C)c1ccc(C#N)c(OC)c1 ZINC000098178802 170270466 /nfs/dbraw/zinc/27/04/66/170270466.db2.gz UPJSNCXXJAWKLT-SECBINFHSA-N 0 0 233.267 2.233 10 30 BEEERN CCOC(=O)[C@](C)(C#N)Cc1cccc(OC)c1 ZINC000057536213 170283179 /nfs/dbraw/zinc/28/31/79/170283179.db2.gz WKHAZGNXFPARQG-AWEZNQCLSA-N 0 0 247.294 2.331 10 30 BEEERN CCOCc1ccc2c(c1)C(=O)C=CC2=O ZINC000027845837 170458369 /nfs/dbraw/zinc/45/83/69/170458369.db2.gz FBXJIKUACNZKJC-UHFFFAOYSA-N 0 0 216.236 2.158 10 30 BEEERN C=C(C)COCCNc1nccnc1CCC ZINC000663721129 411733245 /nfs/dbraw/zinc/73/32/45/411733245.db2.gz UCYCOMMUTVZWFE-UHFFFAOYSA-N 0 0 235.331 2.434 10 30 BEEERN CCSCC[C@@H](C)Nc1cnc(C#N)cn1 ZINC000128429054 170641671 /nfs/dbraw/zinc/64/16/71/170641671.db2.gz XWNLBPWVCZOVRO-SECBINFHSA-N 0 0 236.344 2.292 10 30 BEEERN CCS[C@H]1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC000125942627 170652845 /nfs/dbraw/zinc/65/28/45/170652845.db2.gz AAHDNVPIFQBEGN-ONGXEEELSA-N 0 0 248.355 2.434 10 30 BEEERN CC[C@@H]1C[C@H](c2ccccc2)S(=O)(=O)O1 ZINC000038327452 171131267 /nfs/dbraw/zinc/13/12/67/171131267.db2.gz UWBVOGPQFYCNNX-GHMZBOCLSA-N 0 0 226.297 2.256 10 30 BEEERN CC[C@@](C)(CCO)Nc1ccc(C#N)c(C)n1 ZINC000292084631 171167403 /nfs/dbraw/zinc/16/74/03/171167403.db2.gz YDWHDGPVFWUFCC-ZDUSSCGKSA-N 0 0 233.315 2.225 10 30 BEEERN CC[C@H](C#N)N[C@@H]1CCOc2ccccc21 ZINC000051986883 171219074 /nfs/dbraw/zinc/21/90/74/171219074.db2.gz HYUFJQBAAQNROB-ZYHUDNBSSA-N 0 0 216.284 2.402 10 30 BEEERN CC[C@H](C#N)N1CCN(Cc2ccc(C)o2)CC1 ZINC000104063752 171219091 /nfs/dbraw/zinc/21/90/91/171219091.db2.gz DRORXYVVMLDRNX-CYBMUJFWSA-N 0 0 247.342 2.008 10 30 BEEERN CC[C@H](C#N)Nc1ccc2c(c1)OCO2 ZINC000043539421 171219384 /nfs/dbraw/zinc/21/93/84/171219384.db2.gz RAFLUTGQTWLKQA-MRVPVSSYSA-N 0 0 204.229 2.129 10 30 BEEERN CC[C@H](C)N(CCOC)c1cc(C#N)ccn1 ZINC000042591856 171315466 /nfs/dbraw/zinc/31/54/66/171315466.db2.gz RVCYQEMPHNCEJA-NSHDSACASA-N 0 0 233.315 2.205 10 30 BEEERN CC[C@H](C)Sc1ncc(N)cc1C#N ZINC000037759432 171357194 /nfs/dbraw/zinc/35/71/94/171357194.db2.gz OLYPBSCMRHFSKF-ZETCQYMHSA-N 0 0 207.302 2.426 10 30 BEEERN CCc1nnc(N[C@H]2C[C@H]2C)c(C#N)c1CC ZINC000123329389 172062888 /nfs/dbraw/zinc/06/28/88/172062888.db2.gz ZPZHLYZFDDESFN-PELKAZGASA-N 0 0 230.315 2.293 10 30 BEEERN CCn1c(C)nnc1COc1cccc(C#N)c1 ZINC000194648019 172141253 /nfs/dbraw/zinc/14/12/53/172141253.db2.gz TUNKMCWAQUGIHI-UHFFFAOYSA-N 0 0 242.282 2.057 10 30 BEEERN CN(C)C(=O)N1C=Cc2ccccc2[C@H]1C#N ZINC000034077428 172376953 /nfs/dbraw/zinc/37/69/53/172376953.db2.gz DIHBQISMUSBLTK-GFCCVEGCSA-N 0 0 227.267 2.219 10 30 BEEERN CN(Cc1ccc(Cl)cc1)C(=O)CC#N ZINC000048880635 172849663 /nfs/dbraw/zinc/84/96/63/172849663.db2.gz HFOWCORFCWLEOY-UHFFFAOYSA-N 0 0 222.675 2.212 10 30 BEEERN CN1CCC/C1=C\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000018251835 173002001 /nfs/dbraw/zinc/00/20/01/173002001.db2.gz KCWXNRHHVYSFJG-FMIVXFBMSA-N 0 0 246.266 2.387 10 30 BEEERN CN1CC[C@](C#N)(Nc2cccc(Cl)c2)C1 ZINC000061990893 173163558 /nfs/dbraw/zinc/16/35/58/173163558.db2.gz FGYWQZKPUFHCOT-GFCCVEGCSA-N 0 0 235.718 2.350 10 30 BEEERN CN1CCc2cc([C@@H](C#N)N3CCCC3)ccc21 ZINC000050287973 173172142 /nfs/dbraw/zinc/17/21/42/173172142.db2.gz LJIOKVYSAIIVKB-OAHLLOKOSA-N 0 0 241.338 2.339 10 30 BEEERN CNC(=O)O/N=C/C1(C)S[C@H](C)[C@@H](C)S1 ZINC000038811356 173293434 /nfs/dbraw/zinc/29/34/34/173293434.db2.gz NWBLSYWXGOQPQX-MCEFIADZSA-N 0 0 248.373 2.301 10 30 BEEERN CNC(=O)O/N=C(/CSC)C(C)(C)C ZINC000031881392 173293502 /nfs/dbraw/zinc/29/35/02/173293502.db2.gz FZSVSABTBYGOQH-XFFZJAGNSA-N 0 0 218.322 2.108 10 30 in-vitro BEEERN CN[C@H](C#N)c1ccc(F)c(Br)c1 ZINC000034939451 173442540 /nfs/dbraw/zinc/44/25/40/173442540.db2.gz ZTXUZOUJUUVGLQ-SECBINFHSA-N 0 0 243.079 2.372 10 30 BEEERN CN[C@](C)(C#N)c1ccc(Br)cc1 ZINC000040177266 173469784 /nfs/dbraw/zinc/46/97/84/173469784.db2.gz UTNKNSOTCMXBBM-SNVBAGLBSA-N 0 0 239.116 2.407 10 30 BEEERN COCCCN[C@@H](C#N)c1cccc(C)c1 ZINC000019987642 174249629 /nfs/dbraw/zinc/24/96/29/174249629.db2.gz FEHWIBZVEQNAMF-ZDUSSCGKSA-N 0 0 218.300 2.186 10 30 BEEERN COCCN(c1ccc(C#N)cc1)[C@H](C)COC ZINC000042610314 174302601 /nfs/dbraw/zinc/30/26/01/174302601.db2.gz QFTVRFZJQWDKCP-GFCCVEGCSA-N 0 0 248.326 2.046 10 30 BEEERN COc1cc(CC/C(C)=N\O)ccc1O ZINC000100299254 174977715 /nfs/dbraw/zinc/97/77/15/174977715.db2.gz KQFAQLJBMSIBCJ-WQLSENKSSA-N 0 0 209.245 2.184 10 30 BEEERN COc1cc(OC)c(/C=C/C(C)=O)c(OC)c1 ZINC000026735822 175006574 /nfs/dbraw/zinc/00/65/74/175006574.db2.gz VXCJAOUFCCAOFT-AATRIKPKSA-N 0 0 236.267 2.315 10 30 BEEERN COc1cc2nc(C#N)sc2cc1OC ZINC000045236965 175028623 /nfs/dbraw/zinc/02/86/23/175028623.db2.gz YGQPKDRNTSMOAW-UHFFFAOYSA-N 0 0 220.253 2.185 10 30 BEEERN COc1cc2oc(C#N)cc2cc1[N+](=O)[O-] ZINC000039424189 175029373 /nfs/dbraw/zinc/02/93/73/175029373.db2.gz WMNSTNAUWGXPJF-UHFFFAOYSA-N 0 0 218.168 2.221 10 30 BEEERN COc1ccc(/C=N/c2nncs2)cc1 ZINC000000244758 175048676 /nfs/dbraw/zinc/04/86/76/175048676.db2.gz SUQWTEITDNOZDV-IZZDOVSWSA-N 0 0 219.269 2.297 10 30 BEEERN COc1ccc(NC2=NC[C@H](C3CC3)S2)cn1 ZINC000071306976 175049827 /nfs/dbraw/zinc/04/98/27/175049827.db2.gz UGOBLFWWQVALRQ-SNVBAGLBSA-N 0 0 249.339 2.193 10 30 BEEERN COc1ccc(C#Cc2cccnc2)cc1 ZINC000090531131 175050989 /nfs/dbraw/zinc/05/09/89/175050989.db2.gz YVVKZAQZWPQYNK-UHFFFAOYSA-N 0 0 209.248 2.490 10 30 BEEERN COc1ccc(C#Cc2ccncc2)cc1 ZINC000005329884 175051087 /nfs/dbraw/zinc/05/10/87/175051087.db2.gz YLGABGCTQMOWDL-UHFFFAOYSA-N 0 0 209.248 2.490 10 30 BEEERN COc1ccc(C(C)=O)cc1CCC=O ZINC000001700844 175068270 /nfs/dbraw/zinc/06/82/70/175068270.db2.gz LBHPSCQJRCPPME-UHFFFAOYSA-N 0 0 206.241 2.029 10 30 BEEERN COc1ccc(CN[C@@H](C#N)C(C)C)cc1OC ZINC000057537106 175108201 /nfs/dbraw/zinc/10/82/01/175108201.db2.gz ZPYUNMIKBJVNQK-LBPRGKRZSA-N 0 0 248.326 2.342 10 30 BEEERN COc1ccc(Cl)cc1[C@@](C)(N)C#N ZINC000057496401 175121711 /nfs/dbraw/zinc/12/17/11/175121711.db2.gz DHSCIWTXBBSFCC-JTQLQIEISA-N 0 0 210.664 2.046 10 30 BEEERN COc1ccc(NC(C)=O)cc1N(C)CCC#N ZINC000005137979 175148335 /nfs/dbraw/zinc/14/83/35/175148335.db2.gz YQSUXMCLIUGHKF-UHFFFAOYSA-N 0 0 247.298 2.003 10 30 BEEERN COc1ccc(NC[C@H](C)C#N)cc1OC ZINC000032013637 175151295 /nfs/dbraw/zinc/15/12/95/175151295.db2.gz DWRUMQOUNAFFHX-SECBINFHSA-N 0 0 220.272 2.275 10 30 BEEERN COc1ccc(NC[C@H](C)C#N)cc1F ZINC000037290601 175151526 /nfs/dbraw/zinc/15/15/26/175151526.db2.gz XKKKBLGRIUDRRM-MRVPVSSYSA-N 0 0 208.236 2.406 10 30 BEEERN COc1ccc(Nc2ccc(C#N)cn2)cn1 ZINC000019428441 175156161 /nfs/dbraw/zinc/15/61/61/175156161.db2.gz LURIWSOSQWEOJA-UHFFFAOYSA-N 0 0 226.239 2.100 10 30 BEEERN COc1ccc(Nc2ncc(N)cc2C#N)cc1 ZINC000037758928 175156535 /nfs/dbraw/zinc/15/65/35/175156535.db2.gz DZEZLSVCKIDXRW-UHFFFAOYSA-N 0 0 240.266 2.288 10 30 BEEERN COc1ccc(OC)c(N[C@H](C)C#N)c1 ZINC000047826309 175166954 /nfs/dbraw/zinc/16/69/54/175166954.db2.gz CWJBKTVANXYMEQ-MRVPVSSYSA-N 0 0 206.245 2.028 10 30 BEEERN COc1ccc(OC)c([C@H](C#N)N2CCCC2)c1 ZINC000019934732 175169109 /nfs/dbraw/zinc/16/91/09/175169109.db2.gz JWHYVQHOJHUHDA-ZDUSSCGKSA-N 0 0 246.310 2.364 10 30 BEEERN COc1cccc(-c2c[nH]c(N)c2C#N)c1 ZINC000071609601 175233085 /nfs/dbraw/zinc/23/30/85/175233085.db2.gz QLLUSUOELFPSGI-UHFFFAOYSA-N 0 0 213.240 2.144 10 30 BEEERN COc1cccc(/C=N\O)c1OC(C)C ZINC000207476915 175241755 /nfs/dbraw/zinc/24/17/55/175241755.db2.gz OVTRUHRHYKQIHY-GHXNOFRVSA-N 0 0 209.245 2.291 10 30 BEEERN COc1cccc(C(=O)NC2(C#N)CCCC2)c1 ZINC000040215058 175244668 /nfs/dbraw/zinc/24/46/68/175244668.db2.gz MWZFMMVIQXKBLP-UHFFFAOYSA-N 0 0 244.294 2.261 10 30 BEEERN COc1cccc(C2=C(C)C(=O)CC2)n1 ZINC000040828913 175248774 /nfs/dbraw/zinc/24/87/74/175248774.db2.gz OFDOOXWPOZMVFV-UHFFFAOYSA-N 0 0 203.241 2.227 10 30 BEEERN COc1cccc([C@@H](C#N)NCC2CC2)c1OC ZINC000037946881 175285979 /nfs/dbraw/zinc/28/59/79/175285979.db2.gz ARAFQJWCEPRUGU-GFCCVEGCSA-N 0 0 246.310 2.268 10 30 BEEERN COc1cccc([C@H](C#N)C(=O)C2CC2)c1 ZINC000040907838 175291448 /nfs/dbraw/zinc/29/14/48/175291448.db2.gz SUSJDKMKMAEJKD-LBPRGKRZSA-N 0 0 215.252 2.281 10 30 BEEERN COc1ccccc1C(=O)[C@H](C)CC#N ZINC000033426636 175318823 /nfs/dbraw/zinc/31/88/23/175318823.db2.gz RWWTYYXKROIBTG-SECBINFHSA-N 0 0 203.241 2.428 10 30 BEEERN COc1ccccc1CCN(C)[C@@H](C)CC#N ZINC000049822544 175322999 /nfs/dbraw/zinc/32/29/99/175322999.db2.gz MIQDAGVYNNCBGY-LBPRGKRZSA-N 0 0 232.327 2.472 10 30 BEEERN COc1ccccc1[C@@H](O)C(C)(C)C#N ZINC000075606193 175347003 /nfs/dbraw/zinc/34/70/03/175347003.db2.gz CJTGZOMQOMBOFO-LLVKDONJSA-N 0 0 205.257 2.278 10 30 BEEERN COc1ccccc1[C@H](C#N)NC(C)C ZINC000019989634 175350546 /nfs/dbraw/zinc/35/05/46/175350546.db2.gz HLFOFGGGFDKOSE-NSHDSACASA-N 0 0 204.273 2.258 10 30 BEEERN C[C@@H](C#N)Nc1ccc(F)c(F)c1F ZINC000043514193 175598746 /nfs/dbraw/zinc/59/87/46/175598746.db2.gz MTONQWORZFRNTL-YFKPBYRVSA-N 0 0 200.163 2.428 10 30 BEEERN C[C@@H](CC(=O)NC(C)(C)C#N)C(C)(C)C ZINC000104444786 175640632 /nfs/dbraw/zinc/64/06/32/175640632.db2.gz OBVICMLAPXEQKM-VIFPVBQESA-N 0 0 210.321 2.477 10 30 BEEERN C[C@@H](Nc1cn[nH]c1)c1cccc(C#N)c1 ZINC000037260986 175935269 /nfs/dbraw/zinc/93/52/69/175935269.db2.gz MZQLGHCKLVUDOP-SECBINFHSA-N 0 0 212.256 2.454 10 30 BEEERN C[C@@H](Nc1ncc(N)cc1C#N)c1ccccn1 ZINC000037759096 175937454 /nfs/dbraw/zinc/93/74/54/175937454.db2.gz FEAYULKWRPHVMO-SECBINFHSA-N 0 0 239.282 2.104 10 30 BEEERN C[C@@H]1CCCC[C@@H]1OCCC/C(N)=N/O ZINC000019511820 176082475 /nfs/dbraw/zinc/08/24/75/176082475.db2.gz KVTNNEXUWPMIIX-ZJUUUORDSA-N 0 0 214.309 2.108 10 30 BEEERN C[C@@H]1CCC[C@@H](C)N(c2cnc(C#N)cn2)C1 ZINC000125520759 176114374 /nfs/dbraw/zinc/11/43/74/176114374.db2.gz RUOGXFOPCXBYMY-GHMZBOCLSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@@H]1CC[C@@H](C)c2[nH]c(=O)c(C#N)cc21 ZINC000049812452 176199573 /nfs/dbraw/zinc/19/95/73/176199573.db2.gz YMLGKRXKDKNGFJ-HTQZYQBOSA-N 0 0 202.257 2.247 10 30 BEEERN C[C@@H]1CN(Cc2ccc(C#N)o2)CCS1 ZINC000131349631 176302531 /nfs/dbraw/zinc/30/25/31/176302531.db2.gz ICKGUGWPKVPMRH-SECBINFHSA-N 0 0 222.313 2.089 10 30 BEEERN C[C@@H]1CN([C@@H]2CCCC[C@@H]2C#N)C[C@@H](C)O1 ZINC000037145770 176315634 /nfs/dbraw/zinc/31/56/34/176315634.db2.gz VINLMENBQALKNN-FDYHWXHSSA-N 0 0 222.332 2.178 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1ccc(C#N)cc1F ZINC000134401972 176474904 /nfs/dbraw/zinc/47/49/04/176474904.db2.gz PROCXIUTNLVVKP-KWQFWETISA-N 0 0 220.247 2.287 10 30 BEEERN C[C@H](C#N)CN(C)c1c(F)cc(N)cc1F ZINC000042455274 176552863 /nfs/dbraw/zinc/55/28/63/176552863.db2.gz WNMUEWKRZULVQJ-SSDOTTSWSA-N 0 0 225.242 2.143 10 30 BEEERN C[C@H](C#N)CS(=O)(=O)c1cccc(Cl)c1 ZINC000020223410 176553623 /nfs/dbraw/zinc/55/36/23/176553623.db2.gz JVRKYGPEFQMWHL-MRVPVSSYSA-N 0 0 243.715 2.273 10 30 BEEERN C[C@H](CC#N)C(=O)Nc1ccccc1F ZINC000049813338 176596353 /nfs/dbraw/zinc/59/63/53/176596353.db2.gz GRRZZRFAYUDGOC-MRVPVSSYSA-N 0 0 206.220 2.314 10 30 BEEERN C[C@H](C#N)NC(=O)C[C@@H](C)CC(C)(C)C ZINC000040350636 176600802 /nfs/dbraw/zinc/60/08/02/176600802.db2.gz CDZBPPRVFBSUMF-NXEZZACHSA-N 0 0 210.321 2.477 10 30 BEEERN C[C@H](S)c1nnc([C@H](N)C(C)(C)C)o1 ZINC000083348405 177025760 /nfs/dbraw/zinc/02/57/60/177025760.db2.gz CKRFNAZACSBEPS-WDSKDSINSA-N 0 0 215.322 2.106 10 30 BEEERN C[C@H](OC1CCC1)C(=O)Nc1ccccc1C#N ZINC000050520450 177020441 /nfs/dbraw/zinc/02/04/41/177020441.db2.gz PIOZFAFVWQBDFA-JTQLQIEISA-N 0 0 244.294 2.454 10 30 BEEERN C[C@H](OC1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000050520455 177020669 /nfs/dbraw/zinc/02/06/69/177020669.db2.gz PNXILYDTWRMSSU-JTQLQIEISA-N 0 0 244.294 2.454 10 30 BEEERN C[C@H](c1ccccc1)[C@H](C#N)N1CCOCC1 ZINC000041086175 177039759 /nfs/dbraw/zinc/03/97/59/177039759.db2.gz ZEOABPCZEHVKPR-OCCSQVGLSA-N 0 0 230.311 2.014 10 30 BEEERN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)nc1 ZINC000115001189 177082803 /nfs/dbraw/zinc/08/28/03/177082803.db2.gz HLAGAYBNLWBINW-GWCFXTLKSA-N 0 0 243.310 2.262 10 30 BEEERN C[C@H]1CCCC[C@@H]1Oc1ccnc(/C(N)=N/O)c1 ZINC000061813930 177084119 /nfs/dbraw/zinc/08/41/19/177084119.db2.gz ZXEYDRCSOZXZQO-CABZTGNLSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@H]1CCC[C@H](C)N(c2cnc(C#N)cn2)C1 ZINC000125520587 177129874 /nfs/dbraw/zinc/12/98/74/177129874.db2.gz RUOGXFOPCXBYMY-QWRGUYRKSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@H]1CCC[C@H](Oc2ncc(N)cc2C#N)C1 ZINC000037759358 177138959 /nfs/dbraw/zinc/13/89/59/177138959.db2.gz QZIHORRPHOWKIQ-CABZTGNLSA-N 0 0 231.299 2.493 10 30 BEEERN C[C@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(F)c2)O1 ZINC000308122325 177197518 /nfs/dbraw/zinc/19/75/18/177197518.db2.gz RGQZOSOTQGSTIK-QPUJVOFHSA-N 0 0 248.257 2.203 10 30 BEEERN C[C@H]1C[C@@H](OCC/C(N)=N/O)CC(C)(C)C1 ZINC000026513258 177338277 /nfs/dbraw/zinc/33/82/77/177338277.db2.gz BBGPMNWNKWTDGS-VHSXEESVSA-N 0 0 228.336 2.354 10 30 BEEERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000190415729 177397446 /nfs/dbraw/zinc/39/74/46/177397446.db2.gz ZONANFGCJBUJEB-ZWNOBZJWSA-N 0 0 244.294 2.312 10 30 BEEERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000190415765 177397649 /nfs/dbraw/zinc/39/76/49/177397649.db2.gz ZONANFGCJBUJEB-MFKMUULPSA-N 0 0 244.294 2.312 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1ccc(C#N)cc1F ZINC000134401911 177408113 /nfs/dbraw/zinc/40/81/13/177408113.db2.gz PROCXIUTNLVVKP-LDYMZIIASA-N 0 0 220.247 2.287 10 30 BEEERN C[C@](C#N)(CO)Cc1cccc(Cl)c1 ZINC000057496057 177440896 /nfs/dbraw/zinc/44/08/96/177440896.db2.gz RJBQFIQDWYAUQZ-NSHDSACASA-N 0 0 209.676 2.405 10 30 BEEERN CCC(C#N)(CC)C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000528624702 262962454 /nfs/dbraw/zinc/96/24/54/262962454.db2.gz LDJYXFYYUIZWEC-MNOVXSKESA-N 0 0 220.316 2.327 10 30 BEEERN CCC(C#N)(CC)C(=O)N1C[C@H]2CCC[C@H]21 ZINC000528624695 262962510 /nfs/dbraw/zinc/96/25/10/262962510.db2.gz LDJYXFYYUIZWEC-GHMZBOCLSA-N 0 0 220.316 2.327 10 30 BEEERN C=CCOCCNc1nccnc1C(C)C ZINC000665710736 487737252 /nfs/dbraw/zinc/73/72/52/487737252.db2.gz HWOQGZICVSHHBW-UHFFFAOYSA-N 0 0 221.304 2.215 10 30 BEEERN N#CCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000238060358 526481121 /nfs/dbraw/zinc/48/11/21/526481121.db2.gz UGPBJGWBPLUSLJ-UHFFFAOYSA-N 0 0 241.044 2.423 10 30 BEEERN Cc1ccc(C(C)C)cc1OCC(=O)NCC#N ZINC000111325276 323158844 /nfs/dbraw/zinc/15/88/44/323158844.db2.gz FODZFOFSVQOADA-UHFFFAOYSA-N 0 0 246.310 2.137 10 30 BEEERN C=C(C)CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000122950763 324066635 /nfs/dbraw/zinc/06/66/35/324066635.db2.gz LYGPBMMIOCYHFX-OLZOCXBDSA-N 0 0 215.296 2.482 10 30 BEEERN CSCCCCNC(=O)c1ccc(C#N)cc1 ZINC000126181101 324685062 /nfs/dbraw/zinc/68/50/62/324685062.db2.gz LURHMKYLVYANBY-UHFFFAOYSA-N 0 0 248.351 2.431 10 30 BEEERN Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)c(C)n1 ZINC000129765078 324983173 /nfs/dbraw/zinc/98/31/73/324983173.db2.gz OXCPGCGTPNAYRJ-AWEZNQCLSA-N 0 0 245.326 2.367 10 30 BEEERN Cn1cc(C#N)cc1C(=O)NCCC1=CCCC1 ZINC000131207274 325125497 /nfs/dbraw/zinc/12/54/97/325125497.db2.gz QCOUYZUDZHBNFM-UHFFFAOYSA-N 0 0 243.310 2.127 10 30 BEEERN C=CCCCN(C)C(=O)C1(CCOC)CC1 ZINC000133977803 325335136 /nfs/dbraw/zinc/33/51/36/325335136.db2.gz HIEHSFXVLZIATH-UHFFFAOYSA-N 0 0 225.332 2.228 10 30 BEEERN C#C[C@](O)(c1ccc(F)cc1)C1(C#N)CCC1 ZINC000584600229 488018301 /nfs/dbraw/zinc/01/83/01/488018301.db2.gz CPJTYUSGNJEZOW-AWEZNQCLSA-N 0 0 229.254 2.340 10 30 BEEERN C#CSc1n[nH]c(-c2ccccc2)n1 ZINC000584629549 488019559 /nfs/dbraw/zinc/01/95/59/488019559.db2.gz FDZVJEXPKMYSPO-UHFFFAOYSA-N 0 0 201.254 2.155 10 30 BEEERN CO[C@@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000301758065 488025003 /nfs/dbraw/zinc/02/50/03/488025003.db2.gz FDVCGNZINIWIBB-NWDGAFQWSA-N 0 0 231.299 2.323 10 30 BEEERN C=CCCC[N@@H+](C)Cc1ncccc1C(=O)[O-] ZINC000382542471 487545758 /nfs/dbraw/zinc/54/57/58/487545758.db2.gz VVTTXUZWOGBRJO-UHFFFAOYSA-N 0 0 234.299 2.178 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1cn2ccccc2n1 ZINC000088627218 491075861 /nfs/dbraw/zinc/07/58/61/491075861.db2.gz XZQDLEJFTYMWQW-DGCLKSJQSA-N 0 0 240.310 2.116 10 30 BEEERN C=C[C@](C)(CC)C(=O)NCC[C@H]1CCCO1 ZINC000134921530 491120895 /nfs/dbraw/zinc/12/08/95/491120895.db2.gz HAPZJOZIDMYCIK-DGCLKSJQSA-N 0 0 225.332 2.274 10 30 BEEERN C=C[C@@H](C)NC(=S)NC(CC)CC ZINC000757132272 582506427 /nfs/dbraw/zinc/50/64/27/582506427.db2.gz BBTCWCFMMHWZDG-MRVPVSSYSA-N 0 0 200.351 2.214 10 30 BEEERN CN[C@@H](C#N)CCSCc1occc1C ZINC000757167747 582548759 /nfs/dbraw/zinc/54/87/59/582548759.db2.gz XRKGVMLQVBGMNB-SNVBAGLBSA-N 0 0 224.329 2.323 10 30 BEEERN C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000402541003 533738137 /nfs/dbraw/zinc/73/81/37/533738137.db2.gz BSUFROXKBQPLDQ-IWSPIJDZSA-N 0 0 248.248 2.383 10 30 BEEERN C/C(=N\O)c1ccc(N2CCCCC2=O)cc1 ZINC000253388110 518468345 /nfs/dbraw/zinc/46/83/45/518468345.db2.gz QNRVQALPKDWRHR-GXDHUFHOSA-N 0 0 232.283 2.402 10 30 BEEERN C/N=C(\c1ccccc1)C1(O)CCCC1 ZINC000102203690 518571670 /nfs/dbraw/zinc/57/16/70/518571670.db2.gz OGPWHHILMYHQFU-WYMLVPIESA-N 0 0 203.285 2.411 10 30 BEEERN CC1=CC(=O)C[C@H](C)[C@@H]1C(=O)OC(C)C ZINC000117783236 520850170 /nfs/dbraw/zinc/85/01/70/520850170.db2.gz TWLBIJCLHLNTLZ-GXSJLCMTSA-N 0 0 210.273 2.109 10 30 BEEERN CC1=CC(=O)C[C@@H](C)[C@@H]1C(=O)OC(C)C ZINC000117783241 520850298 /nfs/dbraw/zinc/85/02/98/520850298.db2.gz TWLBIJCLHLNTLZ-MWLCHTKSSA-N 0 0 210.273 2.109 10 30 BEEERN CCOC(=O)c1cn2cc(Cl)c(C#N)cc2n1 ZINC000504216697 528283704 /nfs/dbraw/zinc/28/37/04/528283704.db2.gz ZSRCREDFPWGXDP-UHFFFAOYSA-N 0 0 249.657 2.036 10 30 BEEERN CC(C)(C#N)C(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110444774 534971614 /nfs/dbraw/zinc/97/16/14/534971614.db2.gz SRKJDIXIDZEQKY-QWHCGFSZSA-N 0 0 242.322 2.456 10 30 BEEERN CCO[C@H]1CCCN(c2ccc(N)cc2C#N)C1 ZINC000042421447 535621636 /nfs/dbraw/zinc/62/16/36/535621636.db2.gz OVGOZGSZDPHXFZ-ZDUSSCGKSA-N 0 0 245.326 2.146 10 30 BEEERN CO[C@@H](c1noc(CSCC#N)n1)C(C)C ZINC000234783797 536572978 /nfs/dbraw/zinc/57/29/78/536572978.db2.gz FCHSZRSWZOWZRG-SECBINFHSA-N 0 0 241.316 2.170 10 30 BEEERN C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1CCC(=O)[C@@]21C ZINC000004098050 560195182 /nfs/dbraw/zinc/19/51/82/560195182.db2.gz HPJYKMSFRBJOSW-JHSUYXJUSA-N 0 0 248.322 2.500 10 30 biogenic,in-vitro BEEERN COC(=O)[C@]1(Cl)O[C@]1(C)c1cccc(F)c1 ZINC000234598793 582461796 /nfs/dbraw/zinc/46/17/96/582461796.db2.gz QHIOWUKNJSWGGC-MNOVXSKESA-N 0 0 244.649 2.179 10 30 BEEERN C=C[C@H](C)N1C(=S)N=NC1C1(C)CC1 ZINC000757134843 582512889 /nfs/dbraw/zinc/51/28/89/582512889.db2.gz ZJQRAFJQPFHUSX-ZETCQYMHSA-N 0 0 209.318 2.365 10 30 BEEERN C=C[C@@H](C)NC(=S)Nc1ccc(O)cc1 ZINC000757135014 582514293 /nfs/dbraw/zinc/51/42/93/582514293.db2.gz QYFAPHSOTDFITD-MRVPVSSYSA-N 0 0 222.313 2.253 10 30 BEEERN CCc1ccc(CSC[C@H](C#N)NC)o1 ZINC000757165493 582547172 /nfs/dbraw/zinc/54/71/72/582547172.db2.gz LJSAWHKZYPASGT-VIFPVBQESA-N 0 0 224.329 2.187 10 30 BEEERN CCc1ccc(CSCC[C@@H](N)C#N)o1 ZINC000757166832 582548120 /nfs/dbraw/zinc/54/81/20/582548120.db2.gz SINWFGFMHFIOCZ-SECBINFHSA-N 0 0 224.329 2.316 10 30 BEEERN C[C@@H]1C[C@@H](S)CN1C(=O)OC(C)(C)C ZINC000200474182 588980357 /nfs/dbraw/zinc/98/03/57/588980357.db2.gz HBKAPPHVTBDWEM-HTQZYQBOSA-N 0 0 217.334 2.314 10 30 BEEERN C#CCNC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000103247191 585081603 /nfs/dbraw/zinc/08/16/03/585081603.db2.gz MSWFLJKLMMIMGE-VXGBXAGGSA-N 0 0 222.332 2.134 10 30 BEEERN C#CCNC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000103247190 585081651 /nfs/dbraw/zinc/08/16/51/585081651.db2.gz MSWFLJKLMMIMGE-NWDGAFQWSA-N 0 0 222.332 2.134 10 30 BEEERN CS[C@H](C)C(=O)[C@H](C#N)c1ccccn1 ZINC000103329893 585098302 /nfs/dbraw/zinc/09/83/02/585098302.db2.gz BXTVIKAJLFVVOL-RKDXNWHRSA-N 0 0 220.297 2.009 10 30 BEEERN CCO[C@@H](C)C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000103635706 586168721 /nfs/dbraw/zinc/16/87/21/586168721.db2.gz JFLPBRCJKNVXML-DTWKUNHWSA-N 0 0 238.312 2.053 10 30 BEEERN CCCCO[C@H](C)C(=O)[C@H](C#N)c1ccccn1 ZINC000103638065 586171907 /nfs/dbraw/zinc/17/19/07/586171907.db2.gz WXULZUOKIMJQCU-VXGBXAGGSA-N 0 0 246.310 2.463 10 30 BEEERN C#C[C@@H](OC(=O)NCC)c1ccccc1 ZINC000757190486 586435367 /nfs/dbraw/zinc/43/53/67/586435367.db2.gz PMXSLGAJXSSOLF-LLVKDONJSA-N 0 0 203.241 2.107 10 30 BEEERN Cc1nn([C@H](C)C(F)(F)F)cc1C#N ZINC000757189973 586435448 /nfs/dbraw/zinc/43/54/48/586435448.db2.gz JAPLWCSJBWHSDG-ZCFIWIBFSA-N 0 0 203.167 2.187 10 30 BEEERN C=CCOC(=O)c1cc(Cl)nc(NC)c1 ZINC000121465043 587836640 /nfs/dbraw/zinc/83/66/40/587836640.db2.gz KWOTZQXUBJPZMN-UHFFFAOYSA-N 0 0 226.663 2.120 10 30 BEEERN C#CC[C@H](OC(=O)[C@H]1C[C@@H]1C)c1ccccn1 ZINC000105549458 588199902 /nfs/dbraw/zinc/19/99/02/588199902.db2.gz HJETZLNWMGGWBX-GVXVVHGQSA-N 0 0 229.279 2.345 10 30 BEEERN C#C[C@@H](C)OC(=O)CCO[C@H](C)CC(C)C ZINC000121582809 588243187 /nfs/dbraw/zinc/24/31/87/588243187.db2.gz RGIMIBOGFRAGKQ-VXGBXAGGSA-N 0 0 226.316 2.393 10 30 BEEERN C#CCCOC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000106986314 588318531 /nfs/dbraw/zinc/31/85/31/588318531.db2.gz VIJBRUSWAIMTPM-UONOGXRCSA-N 0 0 244.290 2.365 10 30 BEEERN C#CCOc1cccc(COC(=O)C2CC2)c1 ZINC000107021402 588322757 /nfs/dbraw/zinc/32/27/57/588322757.db2.gz IARGJBAXKPOHBV-UHFFFAOYSA-N 0 0 230.263 2.152 10 30 BEEERN C#CCOc1ccccc1OC(=O)[C@@H]1C[C@@H]1C ZINC000107192222 588337386 /nfs/dbraw/zinc/33/73/86/588337386.db2.gz UWQQDCPQFBZKSF-WDEREUQCSA-N 0 0 230.263 2.260 10 30 BEEERN CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000109028424 588511767 /nfs/dbraw/zinc/51/17/67/588511767.db2.gz NDVRXWOCHNFIKL-QWHCGFSZSA-N 0 0 228.295 2.162 10 30 BEEERN C#CCOC(=O)Cc1c[nH]c2c1cccc2CC ZINC000109374719 588558320 /nfs/dbraw/zinc/55/83/20/588558320.db2.gz RFEGTTGWRAOQGG-UHFFFAOYSA-N 0 0 241.290 2.449 10 30 BEEERN CCCCCCCN1CCS(=O)(=O)[C@H](C)C1 ZINC000119026218 589231507 /nfs/dbraw/zinc/23/15/07/589231507.db2.gz XHBBIMKVZVNRQY-GFCCVEGCSA-N 0 0 247.404 2.076 10 30 BEEERN C#C[C@H](C)OC(=O)C[C@@H](C)c1ccncc1 ZINC000119635345 589315790 /nfs/dbraw/zinc/31/57/90/589315790.db2.gz GUTPRPNOYKCVGV-MNOVXSKESA-N 0 0 217.268 2.140 10 30 BEEERN C#CCCCCC(=O)NCCCCSC ZINC000119874601 589345618 /nfs/dbraw/zinc/34/56/18/589345618.db2.gz YOAIIZNGYSRQNG-UHFFFAOYSA-N 0 0 227.373 2.439 10 30 BEEERN CCCCCCCSC[C@H](O)CO ZINC000123279773 589685162 /nfs/dbraw/zinc/68/51/62/589685162.db2.gz YUHCJNLPKUKDSQ-SNVBAGLBSA-N 0 0 206.351 2.043 10 30 BEEERN C#C[C@H](C)OC(=O)CCCC[C@H](C)C(C)=O ZINC000124435603 589990687 /nfs/dbraw/zinc/99/06/87/589990687.db2.gz KUWKSWBKUXFAQG-QWRGUYRKSA-N 0 0 224.300 2.337 10 30 BEEERN C#C[C@H](OC(=O)C1=CCCCC1)C1CC1 ZINC000124865466 590095626 /nfs/dbraw/zinc/09/56/26/590095626.db2.gz WOFKATVLBMRNRU-LBPRGKRZSA-N 0 0 204.269 2.442 10 30 BEEERN C#C[C@@H](C)OC(=O)c1cc(C)nc(Cl)c1 ZINC000124953261 590103743 /nfs/dbraw/zinc/10/37/43/590103743.db2.gz RINYHMJLKHRHEM-MRVPVSSYSA-N 0 0 223.659 2.222 10 30 BEEERN C#CC[C@H](OC(=O)Cc1ccoc1)C1CC1 ZINC000126751238 590432751 /nfs/dbraw/zinc/43/27/51/590432751.db2.gz UNNTULMGPNHXIL-LBPRGKRZSA-N 0 0 218.252 2.167 10 30 BEEERN C=C[C@H](CC)OC(=O)c1coc(CC)n1 ZINC000127470889 590678816 /nfs/dbraw/zinc/67/88/16/590678816.db2.gz RZECDASBXYZJSN-MRVPVSSYSA-N 0 0 209.245 2.358 10 30 BEEERN C=C[C@@H](CC)OC(=O)[C@@H]1CCCCN1CC ZINC000127471590 590678885 /nfs/dbraw/zinc/67/88/85/590678885.db2.gz FHNMUDDKQIYDKV-RYUDHWBXSA-N 0 0 225.332 2.369 10 30 BEEERN C#CCCCCCOC(=O)c1ccnn1CC ZINC000127553979 590705006 /nfs/dbraw/zinc/70/50/06/590705006.db2.gz FJHURRWODZXLLB-UHFFFAOYSA-N 0 0 234.299 2.253 10 30 BEEERN C#CC[C@@H](OC(=O)c1ccc(C)cn1)C1CC1 ZINC000127713644 590758244 /nfs/dbraw/zinc/75/82/44/590758244.db2.gz MUOVOGIKNGTGGE-CYBMUJFWSA-N 0 0 229.279 2.349 10 30 BEEERN C#C[C@H](C)OC(=O)c1oc(CC)cc1C ZINC000129343649 591281862 /nfs/dbraw/zinc/28/18/62/591281862.db2.gz OXKJIIOLXYTXCG-VIFPVBQESA-N 0 0 206.241 2.329 10 30 BEEERN C#C[C@H](C)OC(=O)c1ccnn1C(CC)CC ZINC000129862265 591414995 /nfs/dbraw/zinc/41/49/95/591414995.db2.gz IOYSEQGPZZUEKD-JTQLQIEISA-N 0 0 234.299 2.423 10 30 BEEERN C[C@H](OCC1CC1)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000130599995 591486823 /nfs/dbraw/zinc/48/68/23/591486823.db2.gz SZAPNVSUUITATH-UWVGGRQHSA-N 0 0 239.315 2.283 10 30 BEEERN CSCCCC(=O)[C@@H](C#N)c1ccccn1 ZINC000130982960 591539543 /nfs/dbraw/zinc/53/95/43/591539543.db2.gz PYQPMXBKEBGGRK-JTQLQIEISA-N 0 0 234.324 2.401 10 30 BEEERN C=CCCO[C@H](C)C(=O)O[C@H](C)C(C)(C)C#N ZINC000131136652 591558636 /nfs/dbraw/zinc/55/86/36/591558636.db2.gz PWHNHOBFPILJKZ-GHMZBOCLSA-N 0 0 239.315 2.449 10 30 BEEERN Cc1cncc(C(=O)O[C@@H](C#N)C(C)C)c1 ZINC000132167423 591691996 /nfs/dbraw/zinc/69/19/96/591691996.db2.gz RPILLAGWOIDPJS-NSHDSACASA-N 0 0 218.256 2.095 10 30 BEEERN COC[C@@H](OC(=O)c1cccc(C#N)c1)C1CC1 ZINC000132657789 591728248 /nfs/dbraw/zinc/72/82/48/591728248.db2.gz UYMXCYIDDXSWSV-CYBMUJFWSA-N 0 0 245.278 2.140 10 30 BEEERN C#C[C@H](OC(=O)CC[C@@H]1CCCCO1)C1CC1 ZINC000133954366 591870613 /nfs/dbraw/zinc/87/06/13/591870613.db2.gz QWDCQJYVWMPFSC-STQMWFEESA-N 0 0 236.311 2.291 10 30 BEEERN C#C[C@H](OC(=O)c1scnc1CC)C1CC1 ZINC000134124031 591890620 /nfs/dbraw/zinc/89/06/20/591890620.db2.gz KJIBYROHBBXRND-JTQLQIEISA-N 0 0 235.308 2.274 10 30 BEEERN N#Cc1nccn1CCSC(F)(F)F ZINC000135627518 592026760 /nfs/dbraw/zinc/02/67/60/592026760.db2.gz JMIFCQTUPCEVQN-UHFFFAOYSA-N 0 0 221.207 2.008 10 30 BEEERN C#CCC(CC#C)C(=O)OCc1ccccc1 ZINC000218359883 592154300 /nfs/dbraw/zinc/15/43/00/592154300.db2.gz YLTARWFGRCWFSU-UHFFFAOYSA-N 0 0 226.275 2.393 10 30 BEEERN N#CC1CCN(CCSC(F)(F)F)CC1 ZINC000127618477 592727777 /nfs/dbraw/zinc/72/77/77/592727777.db2.gz OCEICNNJIGIPQR-UHFFFAOYSA-N 0 0 238.278 2.475 10 30 BEEERN Cc1nc(C#N)cc(N[C@H](C)C(C)C)n1 ZINC000308406190 631325110 /nfs/dbraw/zinc/32/51/10/631325110.db2.gz JUIKVOCKUKMBFZ-MRVPVSSYSA-N 0 0 204.277 2.113 10 30 BEEERN CCCCCCCC(=O)NCC1CC(O)C1 ZINC000091524443 632049954 /nfs/dbraw/zinc/04/99/54/632049954.db2.gz XIQWNQYNODBPFK-UHFFFAOYSA-N 0 0 227.348 2.234 10 30 BEEERN C=C(Br)CN1C[C@@H](C)O[C@H](C)C1 ZINC000052439921 632408771 /nfs/dbraw/zinc/40/87/71/632408771.db2.gz BNHRWYYZPILPME-RKDXNWHRSA-N 0 0 234.137 2.004 10 30 BEEERN C=C(C)CN(C)C(=O)c1ccc(F)cc1N ZINC000219284490 632443374 /nfs/dbraw/zinc/44/33/74/632443374.db2.gz LRIDIUCAXJJIFX-UHFFFAOYSA-N 0 0 222.263 2.056 10 30 BEEERN C#C[C@@H](Nc1nc(C)nc(C)c1F)C(C)C ZINC000309634546 632595953 /nfs/dbraw/zinc/59/59/53/632595953.db2.gz RZTSWIOITPZSHM-SNVBAGLBSA-N 0 0 221.279 2.302 10 30 BEEERN CSc1cnc(N[C@H]2CCC[C@@H]2C#N)nc1 ZINC000309896028 633912588 /nfs/dbraw/zinc/91/25/88/633912588.db2.gz FVYRKGSKCNOFIS-SCZZXKLOSA-N 0 0 234.328 2.303 10 30 BEEERN Cc1nc(N[C@H](C)[C@@H](C)O)c(Cl)cc1C#N ZINC000309913959 633934879 /nfs/dbraw/zinc/93/48/79/633934879.db2.gz OHBJDMRIIYPVLH-HTRCEHHLSA-N 0 0 239.706 2.096 10 30 BEEERN Cc1cc(C#N)ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000203531407 634231118 /nfs/dbraw/zinc/23/11/18/634231118.db2.gz PBTFVQBDOUFSNN-BETUJISGSA-N 0 0 228.295 2.234 10 30 BEEERN Cc1nccc(NC(=O)N2CC[C@H]3CCC[C@H]32)n1 ZINC000330262101 635165046 /nfs/dbraw/zinc/16/50/46/635165046.db2.gz UROTXGZZTCUKLC-GHMZBOCLSA-N 0 0 246.314 2.205 10 30 BEEERN C=C(Cl)C[NH2+]Cc1cccc(F)c1[O-] ZINC000163182878 636188834 /nfs/dbraw/zinc/18/88/34/636188834.db2.gz HKEJEWPSDPJXTO-UHFFFAOYSA-N 0 0 215.655 2.373 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)nc1 ZINC000061890262 641004467 /nfs/dbraw/zinc/00/44/67/641004467.db2.gz ZPWPHEASDZUGMN-PSASIEDQSA-N 0 0 249.701 2.157 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)n1 ZINC000061890319 641005384 /nfs/dbraw/zinc/00/53/84/641005384.db2.gz QIDKTPCPDFUOAE-BDAKNGLRSA-N 0 0 249.701 2.157 10 30 BEEERN C#CCCCCNC(=O)[C@@H]1CCC[C@H]1C ZINC000230059183 641012166 /nfs/dbraw/zinc/01/21/66/641012166.db2.gz QOUWKLWBEAEKTR-VXGBXAGGSA-N 0 0 207.317 2.342 10 30 BEEERN C#C[C@H](C)OC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000174425413 641283986 /nfs/dbraw/zinc/28/39/86/641283986.db2.gz ICNYZRHKLKXENB-QWRGUYRKSA-N 0 0 232.279 2.364 10 30 BEEERN C#Cc1cccc(N(C)C(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000152321698 641557227 /nfs/dbraw/zinc/55/72/27/641557227.db2.gz KSBNKKJLJRYNPF-BXUZGUMPSA-N 0 0 243.306 2.198 10 30 BEEERN C#C[C@@H](C)OC(=O)CCc1ccccc1 ZINC000032177598 641759713 /nfs/dbraw/zinc/75/97/13/641759713.db2.gz APZMFOKMZRKWPN-LLVKDONJSA-N 0 0 202.253 2.184 10 30 BEEERN C=C[C@](C)(CCOC)C(=O)O[C@@H](C)COCC ZINC000190769522 641885292 /nfs/dbraw/zinc/88/52/92/641885292.db2.gz KZDPIRKNMHPMHK-WCQYABFASA-N 0 0 244.331 2.183 10 30 BEEERN C#CCCCCC(=O)O[C@@H](C)COCC ZINC000190783035 641887293 /nfs/dbraw/zinc/88/72/93/641887293.db2.gz NPWRCXMYPKZRSN-NSHDSACASA-N 0 0 212.289 2.148 10 30 BEEERN CC[C@@H]1OCC[C@@H]1C(=O)[C@@H](C#N)c1ccccn1 ZINC000233951002 642713707 /nfs/dbraw/zinc/71/37/07/642713707.db2.gz SMCRKCFNKRFKOG-GVXVVHGQSA-N 0 0 244.294 2.073 10 30 BEEERN C[C@H](O)c1cccc(OCCO[C@@H](C)C#N)c1 ZINC000306053922 642720073 /nfs/dbraw/zinc/72/00/73/642720073.db2.gz UCWDYTLOVMFLRV-QWRGUYRKSA-N 0 0 235.283 2.047 10 30 BEEERN C[C@@H](O)c1cccc(OCCO[C@H](C)C#N)c1 ZINC000306053919 642720459 /nfs/dbraw/zinc/72/04/59/642720459.db2.gz UCWDYTLOVMFLRV-GHMZBOCLSA-N 0 0 235.283 2.047 10 30 BEEERN N#Cc1cc(-c2ccc(C=O)o2)ccc1O ZINC000198801125 643932703 /nfs/dbraw/zinc/93/27/03/643932703.db2.gz OZYDHWLRLRJYGF-UHFFFAOYSA-N 0 0 213.192 2.336 10 30 BEEERN CC1CC(C(=O)[C@@H](C#N)c2ccccn2)C1 ZINC000084844679 644432231 /nfs/dbraw/zinc/43/22/31/644432231.db2.gz XZXXITPNRJLJFG-ILDUYXDCSA-N 0 0 214.268 2.304 10 30 BEEERN N#Cc1cncc(-c2ccccc2C=O)c1 ZINC000087282189 644486275 /nfs/dbraw/zinc/48/62/75/644486275.db2.gz QMKJFSUCVQYBCX-UHFFFAOYSA-N 0 0 208.220 2.433 10 30 BEEERN C=CCC[C@H](C)OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000089320518 644544830 /nfs/dbraw/zinc/54/48/30/644544830.db2.gz XRHOBOSJCHZRKV-HBNTYKKESA-N 0 0 212.289 2.452 10 30 BEEERN CC(C)[C@H](C#N)OC(=O)[C@H]1C[C@H]1C1CC1 ZINC000246081662 644562982 /nfs/dbraw/zinc/56/29/82/644562982.db2.gz FOLYKGHLICWRHY-DCAQKATOSA-N 0 0 207.273 2.124 10 30 BEEERN Cc1cc(C#N)ccc1NCC1CC(O)C1 ZINC000091524703 644629650 /nfs/dbraw/zinc/62/96/50/644629650.db2.gz WHQRTWSQIRIVCJ-UHFFFAOYSA-N 0 0 216.284 2.050 10 30 BEEERN C#C[C@H](OC(=O)c1cccc(OC)c1F)C1CC1 ZINC000134014261 645870203 /nfs/dbraw/zinc/87/02/03/645870203.db2.gz CQZVQAQHZULEQR-NSHDSACASA-N 0 0 248.253 2.403 10 30 BEEERN Cc1conc1CN[C@H]1CCCC[C@H]1C#N ZINC000708434105 712194402 /nfs/dbraw/zinc/19/44/02/712194402.db2.gz OVFINPLMERHING-QWRGUYRKSA-N 0 0 219.288 2.155 10 30 BEEERN C#Cc1cccc(N[C@@H]2CCCC[C@H]2O)c1 ZINC000037690936 711584784 /nfs/dbraw/zinc/58/47/84/711584784.db2.gz UVNWNIMABUVTOL-ZIAGYGMSSA-N 0 0 215.296 2.383 10 30 BEEERN CCCCCCC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000130811678 711885447 /nfs/dbraw/zinc/88/54/47/711885447.db2.gz AUMQEJUTMMADQH-NSHDSACASA-N 0 0 238.331 2.190 10 30 BEEERN COC1CC(CNc2ccc(C#N)cc2)C1 ZINC000705492971 712131904 /nfs/dbraw/zinc/13/19/04/712131904.db2.gz ZQGGVKHKCCHPSN-UHFFFAOYSA-N 0 0 216.284 2.395 10 30 BEEERN C=CCS(=O)(=O)N(C)CC1CC2(CCC2)C1 ZINC000711065025 712277994 /nfs/dbraw/zinc/27/79/94/712277994.db2.gz VKIHMPQUBGEZGN-UHFFFAOYSA-N 0 0 243.372 2.014 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000712901363 712449823 /nfs/dbraw/zinc/44/98/23/712449823.db2.gz BIRWWRCIKKFIIG-CYDGBPFRSA-N 0 0 232.327 2.231 10 30 BEEERN C[C@H](C#N)NC(=O)c1cscc1C(F)F ZINC000717209920 712639315 /nfs/dbraw/zinc/63/93/15/712639315.db2.gz HFINJIAIGTXICY-RXMQYKEDSA-N 0 0 230.239 2.328 10 30 BEEERN Cc1coc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000718133472 712747154 /nfs/dbraw/zinc/74/71/54/712747154.db2.gz UPAZWDHNKVKGSH-PWSUYJOCSA-N 0 0 204.273 2.370 10 30 BEEERN C[C@H](C#N)NC(=O)[C@@H]1CCC=CCCC1 ZINC000719055792 712794949 /nfs/dbraw/zinc/79/49/49/712794949.db2.gz HYZDDLQJVDJSEV-GHMZBOCLSA-N 0 0 206.289 2.151 10 30 BEEERN CC1(C(=O)N[C@@H]2CCC[C@H]2C#N)CC(F)(F)C1 ZINC000720440679 712843708 /nfs/dbraw/zinc/84/37/08/712843708.db2.gz APFIQJGOXYPTPJ-DTWKUNHWSA-N 0 0 242.269 2.230 10 30 BEEERN CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000695690186 968959449 /nfs/dbraw/zinc/95/94/49/968959449.db2.gz LRBDOMNFOYAKMM-WCQYABFASA-N 0 0 238.331 2.255 10 30 BEEERN CC(C)(C)C[N@H+](CCC(C)(C)C#N)CC(=O)[O-] ZINC000692642508 954703770 /nfs/dbraw/zinc/70/37/70/954703770.db2.gz HQOZYEWXADAAGB-UHFFFAOYSA-N 0 0 240.347 2.359 10 30 BEEERN N#CCc1cc(-c2ccccn2)nn1C(F)F ZINC000409443936 958237050 /nfs/dbraw/zinc/23/70/50/958237050.db2.gz XAPQCEKCJNFBOR-UHFFFAOYSA-N 0 0 234.209 2.406 10 30 BEEERN C#CCCCOC(=O)/C=C\c1ncccc1C ZINC000588455189 958583982 /nfs/dbraw/zinc/58/39/82/958583982.db2.gz KVRXNEHWTZKFPE-HJWRWDBZSA-N 0 0 229.279 2.360 10 30 BEEERN CC(C)[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C(=O)[O-] ZINC000695730755 968958966 /nfs/dbraw/zinc/95/89/66/968958966.db2.gz UFNXEIQYUPWBNL-VHSXEESVSA-N 0 0 226.320 2.014 10 30 BEEERN CC1(C)CC[C@H](Nc2nnccc2C#N)C1 ZINC000129211120 973899571 /nfs/dbraw/zinc/89/95/71/973899571.db2.gz NREJRXQDGXMMMI-JTQLQIEISA-N 0 0 216.288 2.339 10 30 BEEERN C#CCCCCC[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000686678390 976114714 /nfs/dbraw/zinc/11/47/14/976114714.db2.gz QEIZWGZVVDWKQA-QWHCGFSZSA-N 0 0 237.343 2.223 10 30 BEEERN C[N@H+](CCCC(C)(C)C#N)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693029056 976571579 /nfs/dbraw/zinc/57/15/79/976571579.db2.gz VSOHJVJZLNGVLI-PHIMTYICSA-N 0 0 238.331 2.111 10 30 BEEERN C[C@]1(C#N)CC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000703717517 977177877 /nfs/dbraw/zinc/17/78/77/977177877.db2.gz NSNVHPDRIDBMCK-TZMCWYRMSA-N 0 0 244.294 2.048 10 30 BEEERN N#CCC1(C[N@@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1 ZINC000711646582 977561422 /nfs/dbraw/zinc/56/14/22/977561422.db2.gz MEQCYXNBMHMNPH-RISCZKNCSA-N 0 0 248.326 2.009 10 30 BEEERN CCN(CC#N)C(=O)c1cc(Cl)ccc1O ZINC000045049458 1171434619 /nfs/dbraw/zinc/43/46/19/1171434619.db2.gz CRUZFMKLTUJZNR-UHFFFAOYSA-N 0 0 238.674 2.031 10 30 BEEERN Cc1ccc(C#CC(=O)OC(C)(C)C)nc1 ZINC000685953406 538897943 /nfs/dbraw/zinc/89/79/43/538897943.db2.gz MGIQSTCLBYXEIH-UHFFFAOYSA-N 0 0 217.268 2.083 10 30 BEEERN CC(C)(C)OC(=O)C#C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000685953992 538898858 /nfs/dbraw/zinc/89/88/58/538898858.db2.gz REDROPABZGYCFF-JGPRNRPPSA-N 0 0 206.285 2.378 10 30 BEEERN C/C=C/C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000685959462 538906835 /nfs/dbraw/zinc/90/68/35/538906835.db2.gz XBZNPCSPXBUUMQ-KTROKBFUSA-N 0 0 247.294 2.447 10 30 BEEERN C/C=C/C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000685959240 538906954 /nfs/dbraw/zinc/90/69/54/538906954.db2.gz PCVUFWVZQNXGOU-AATRIKPKSA-N 0 0 225.288 2.189 10 30 BEEERN C/C=C/C(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685961653 538908669 /nfs/dbraw/zinc/90/86/69/538908669.db2.gz MWVBZQFKPNIENZ-GMCFVEKCSA-N 0 0 239.315 2.292 10 30 BEEERN C=CCC(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C ZINC000685962071 538909023 /nfs/dbraw/zinc/90/90/23/538909023.db2.gz SSIMQXZBTNDYLH-NXEZZACHSA-N 0 0 239.315 2.292 10 30 BEEERN CCOC(=O)C#Cc1cc(C)sc1C ZINC000685952618 538896407 /nfs/dbraw/zinc/89/64/07/538896407.db2.gz BMZSCZVMOHJNOP-UHFFFAOYSA-N 0 0 208.282 2.280 10 30 BEEERN Cc1ccc(O)c(C#CC(=O)OC(C)(C)C)c1 ZINC000675080012 538915442 /nfs/dbraw/zinc/91/54/42/538915442.db2.gz ZZHBJSZCVYZECS-UHFFFAOYSA-N 0 0 232.279 2.394 10 30 BEEERN Cc1cc(CN[C@@H]2CCCC[C@@H]2C#N)no1 ZINC000054827875 178032757 /nfs/dbraw/zinc/03/27/57/178032757.db2.gz FQUCOXZNEKEIEB-ZYHUDNBSSA-N 0 0 219.288 2.155 10 30 BEEERN C=C[C@@H](O)c1ccc(N)c(Br)c1 ZINC000575516686 398174393 /nfs/dbraw/zinc/17/43/93/398174393.db2.gz BWQLKGCEXOYRMF-SECBINFHSA-N 0 0 228.089 2.251 10 30 BEEERN Cc1cc(CN[C@H]2CCCC[C@H]2C#N)on1 ZINC000054828017 178040043 /nfs/dbraw/zinc/04/00/43/178040043.db2.gz RNXJFTRHJDUHLB-JQWIXIFHSA-N 0 0 219.288 2.155 10 30 BEEERN Cc1cc(CNc2ccccc2C#N)no1 ZINC000044315349 178043771 /nfs/dbraw/zinc/04/37/71/178043771.db2.gz BQOMIHPLNDSZIY-UHFFFAOYSA-N 0 0 213.240 2.467 10 30 BEEERN Cc1cc(Cl)c2nc(CC#N)cn2c1 ZINC000082694279 178061742 /nfs/dbraw/zinc/06/17/42/178061742.db2.gz CONMUWVVPPQPOR-UHFFFAOYSA-N 0 0 205.648 2.362 10 30 BEEERN CC[C@H](C#N)N1CC[C@H](C(F)(F)F)C1 ZINC000306465336 398201286 /nfs/dbraw/zinc/20/12/86/398201286.db2.gz BGEIYQMQLMGUMG-JGVFFNPUSA-N 0 0 206.211 2.173 10 30 BEEERN Cc1cc(NC[C@@H]2CCCC[C@@H]2O)cc(C#N)n1 ZINC000308273989 178164191 /nfs/dbraw/zinc/16/41/91/178164191.db2.gz IVGYJLIJUOQOTM-FZMZJTMJSA-N 0 0 245.326 2.225 10 30 BEEERN Cc1cc(NC[C@H](O)C(C)(C)C)cc(C#N)n1 ZINC000308277299 178168364 /nfs/dbraw/zinc/16/83/64/178168364.db2.gz QERZIWLWIZTHDV-LBPRGKRZSA-N 0 0 233.315 2.081 10 30 BEEERN Cc1cc(N[C@@H]2C[C@H](O)C2(C)C)c(C#N)c(C)n1 ZINC000128766661 178184668 /nfs/dbraw/zinc/18/46/68/178184668.db2.gz HNBKRAFUQMQIOG-OLZOCXBDSA-N 0 0 245.326 2.141 10 30 BEEERN Cc1cc(N[C@H](C)[C@@H]2CCCO2)cc(C#N)n1 ZINC000308278278 178185883 /nfs/dbraw/zinc/18/58/83/178185883.db2.gz SHHVASGUPMZZPW-MFKMUULPSA-N 0 0 231.299 2.241 10 30 BEEERN C=C[C@H](O)C#CC#C[C@@H](O)/C=C\CCCCC ZINC000014638892 259302627 /nfs/dbraw/zinc/30/26/27/259302627.db2.gz KZRIUXSFFOWKRO-YTKQLVESSA-N 0 0 232.323 2.038 10 30 BEEERN Cc1cc2[nH]ccc2c(OC[C@@H]2CO2)c1 ZINC000147306107 178211855 /nfs/dbraw/zinc/21/18/55/178211855.db2.gz BKAHBWRBBQERJX-VIFPVBQESA-N 0 0 203.241 2.254 10 30 BEEERN COC(=O)C#Cc1ccc(C)c(Cl)c1 ZINC000070835197 361778382 /nfs/dbraw/zinc/77/83/82/361778382.db2.gz XNTMDAUUOIHDKF-UHFFFAOYSA-N 0 0 208.644 2.173 10 30 BEEERN COC(=O)[C@@]1(C)O[C@]1(C)CCCC(F)(F)F ZINC000166775614 538939782 /nfs/dbraw/zinc/93/97/82/538939782.db2.gz HAFOAUYHPSBPEN-RKDXNWHRSA-N 0 0 240.221 2.440 10 30 BEEERN C[C@@H](C#N)C(=O)Nc1cc(F)cc(F)c1F ZINC000061119527 398244112 /nfs/dbraw/zinc/24/41/12/398244112.db2.gz ZJUGMBAWZOCZOK-YFKPBYRVSA-N 0 0 228.173 2.202 10 30 BEEERN Cc1ccc(-c2cc(=O)[nH]cc2C#N)cc1 ZINC000090562804 178317744 /nfs/dbraw/zinc/31/77/44/178317744.db2.gz IEQNKKLJOMNSCO-UHFFFAOYSA-N 0 0 210.236 2.222 10 30 BEEERN Cc1ccc(-c2nc(CC#N)no2)cc1F ZINC000073641453 178334394 /nfs/dbraw/zinc/33/43/94/178334394.db2.gz GPSXSGYOWWMGQV-UHFFFAOYSA-N 0 0 217.203 2.250 10 30 BEEERN Cc1ccc(C#N)c(N(CCC#N)C(C)C)n1 ZINC000043395351 178363000 /nfs/dbraw/zinc/36/30/00/178363000.db2.gz HUCDATWLIFRBRP-UHFFFAOYSA-N 0 0 228.299 2.390 10 30 BEEERN Cc1ccc(C#N)c(NC[C@H]2CCCO2)c1 ZINC000051578846 178364250 /nfs/dbraw/zinc/36/42/50/178364250.db2.gz VPEPKRMWTHARCE-GFCCVEGCSA-N 0 0 216.284 2.458 10 30 BEEERN Cc1ccc(C(=O)N(CCC#N)C(C)C)cc1N ZINC000036798165 178383048 /nfs/dbraw/zinc/38/30/48/178383048.db2.gz NMHXVJVJJCHWIM-UHFFFAOYSA-N 0 0 245.326 2.342 10 30 BEEERN C[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)C(C)(C)C ZINC000399071672 398267755 /nfs/dbraw/zinc/26/77/55/398267755.db2.gz OPHFPCNTGWBMRO-OUAUKWLOSA-N 0 0 222.332 2.477 10 30 BEEERN Cc1ccc(C(=O)N2CCC[C@H]2C#N)cc1C ZINC000057517920 178390666 /nfs/dbraw/zinc/39/06/66/178390666.db2.gz MQFDNHJWGYUGEZ-ZDUSSCGKSA-N 0 0 228.295 2.432 10 30 BEEERN N#Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000335293063 344000140 /nfs/dbraw/zinc/00/01/40/344000140.db2.gz FWUMAQMLUVPDLZ-OLZOCXBDSA-N 0 0 226.279 2.183 10 30 BEEERN C=CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000405513009 538959954 /nfs/dbraw/zinc/95/99/54/538959954.db2.gz RZDYJNXZFLDJCR-VHSXEESVSA-N 0 0 239.315 2.245 10 30 BEEERN C=CC(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC000405733683 538960842 /nfs/dbraw/zinc/96/08/42/538960842.db2.gz QNFUSHKITJBVOI-UHFFFAOYSA-N 0 0 225.288 2.046 10 30 BEEERN COc1cc(C#N)cnc1C#C[Si](C)(C)C ZINC000223919583 398275395 /nfs/dbraw/zinc/27/53/95/398275395.db2.gz SHUSCDFLFSSOPL-UHFFFAOYSA-N 0 0 230.343 2.191 10 30 BEEERN C=CC(=O)[C@@](C)(NC(=O)OC(C)(C)C)C1CC1 ZINC000405633397 538960991 /nfs/dbraw/zinc/96/09/91/538960991.db2.gz KNCFBIFAHONVIL-ZDUSSCGKSA-N 0 0 239.315 2.435 10 30 BEEERN C=C(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406083379 538963286 /nfs/dbraw/zinc/96/32/86/538963286.db2.gz YFNKIHBZKRCSGG-JTQLQIEISA-N 0 0 239.315 2.435 10 30 BEEERN C=C(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406083381 538963415 /nfs/dbraw/zinc/96/34/15/538963415.db2.gz YFNKIHBZKRCSGG-SNVBAGLBSA-N 0 0 239.315 2.435 10 30 BEEERN C=CCCC[C@@H](C)NC(=O)[C@H](C)COC ZINC000182583327 538963775 /nfs/dbraw/zinc/96/37/75/538963775.db2.gz VNLOHYVGYASUQX-GHMZBOCLSA-N 0 0 213.321 2.130 10 30 BEEERN COC(=O)CCC(C)N=Nc1ccccc1 ZINC000004536286 342748937 /nfs/dbraw/zinc/74/89/37/342748937.db2.gz PZMVWCPJOLBZHO-RAXLEYEMSA-N 0 0 220.272 2.428 10 30 BEEERN CO[C@@H](c1noc(CCCC#N)n1)C(C)C ZINC000234783718 536570328 /nfs/dbraw/zinc/57/03/28/536570328.db2.gz QADMUNQHVLMTFC-SNVBAGLBSA-N 0 0 223.276 2.259 10 30 BEEERN COc1ccc(Cl)cc1NC(=O)CS ZINC000008701508 342802743 /nfs/dbraw/zinc/80/27/43/342802743.db2.gz BTIYVQPXKOCHMO-UHFFFAOYSA-N 0 0 231.704 2.217 10 30 BEEERN C[C@H]1CN(Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000127019686 342814338 /nfs/dbraw/zinc/81/43/38/342814338.db2.gz WTROGBXDDVESFF-UWVGGRQHSA-N 0 0 236.340 2.229 10 30 BEEERN C[C@H]1CC[C@@](C#N)(NCc2ccccc2)CO1 ZINC000401463871 342821166 /nfs/dbraw/zinc/82/11/66/342821166.db2.gz KTXZMRWKCNUNJV-JSGCOSHPSA-N 0 0 230.311 2.237 10 30 BEEERN C=C[C@H](NN)c1ccc(Br)cc1 ZINC000097481287 342805399 /nfs/dbraw/zinc/80/53/99/342805399.db2.gz ZCIZBPSHOQYGSX-VIFPVBQESA-N 0 0 227.105 2.140 10 30 BEEERN CCCCCCCCNC(=O)C(=O)OCC ZINC000126931095 342805404 /nfs/dbraw/zinc/80/54/04/342805404.db2.gz NDUYUGKXMVEZSB-UHFFFAOYSA-N 0 0 229.320 2.026 10 30 BEEERN C=C[C@H](NN)c1ccc(Br)s1 ZINC000097535278 342807051 /nfs/dbraw/zinc/80/70/51/342807051.db2.gz DBFURTPEUMOMMF-YFKPBYRVSA-N 0 0 233.134 2.201 10 30 BEEERN N#CCc1c(O)c(F)ccc1Br ZINC000216658009 342834723 /nfs/dbraw/zinc/83/47/23/342834723.db2.gz WSEFZLYKEYGZGO-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN CC(=O)c1ccc(O[C@H](C)C#N)c(F)c1 ZINC000127069830 342829278 /nfs/dbraw/zinc/82/92/78/342829278.db2.gz SYLCLIDYMWJKFX-SSDOTTSWSA-N 0 0 207.204 2.319 10 30 BEEERN OCC[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000051916416 539011746 /nfs/dbraw/zinc/01/17/46/539011746.db2.gz FHJXOTMDFKDARW-MRXNPFEDSA-N 0 0 243.350 2.133 10 30 BEEERN CC1(C)C[C@]2(O[C@@H]2C#N)c2ccccc2O1 ZINC000390047649 539019869 /nfs/dbraw/zinc/01/98/69/539019869.db2.gz DITQKKCHQMUJCQ-YPMHNXCESA-N 0 0 215.252 2.365 10 30 BEEERN COc1ccc2c(c1)[C@@]1(CCC2)O[C@H]1C#N ZINC000390085748 539020041 /nfs/dbraw/zinc/02/00/41/539020041.db2.gz FWVFMSPNBYJPPH-QWHCGFSZSA-N 0 0 215.252 2.149 10 30 BEEERN CN(C)C=Nc1nc(=S)ss1 ZINC000382642876 361968330 /nfs/dbraw/zinc/96/83/30/361968330.db2.gz YRDSDHFBUHFDPG-UHFFFAOYSA-N 0 0 205.333 2.155 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000602607515 349630270 /nfs/dbraw/zinc/63/02/70/349630270.db2.gz LYDVSOOWXKJFSG-YHQUGGNUSA-N 0 0 246.354 2.226 10 30 BEEERN c1cc2c(cc1OC[C@H]1CO1)CCCC2 ZINC000042417570 361999210 /nfs/dbraw/zinc/99/92/10/361999210.db2.gz VDWNASGCQOHPRG-ZDUSSCGKSA-N 0 0 204.269 2.343 10 30 BEEERN CSC(=NC#N)N1CCC(C)=C(C)C1 ZINC000382971445 361999272 /nfs/dbraw/zinc/99/92/72/361999272.db2.gz DKPFBAUWVJWWED-UHFFFAOYSA-N 0 0 209.318 2.229 10 30 BEEERN O=CCc1c(F)cccc1Br ZINC000139913066 342872105 /nfs/dbraw/zinc/87/21/05/342872105.db2.gz RPEWKACDPNTHCS-UHFFFAOYSA-N 0 0 217.037 2.330 10 30 BEEERN CCNc1sc(C#N)c(N)c1SC ZINC000233693903 342877899 /nfs/dbraw/zinc/87/78/99/342877899.db2.gz SBARVOQIYATPAC-UHFFFAOYSA-N 0 0 213.331 2.356 10 30 BEEERN C#C[C@@H](N)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000407126185 342894659 /nfs/dbraw/zinc/89/46/59/342894659.db2.gz AFOBBFJZFDFQPG-SECBINFHSA-N 0 0 247.298 2.062 10 30 BEEERN CC1(C)CCCC[C@H]1C(=O)C(C#N)C#N ZINC000226594658 342898940 /nfs/dbraw/zinc/89/89/40/342898940.db2.gz YTWCQOFHYVIGNI-JTQLQIEISA-N 0 0 204.273 2.435 10 30 BEEERN C#CCC(=O)[C@H]1SCCS[C@H]1CC ZINC000228081573 398322174 /nfs/dbraw/zinc/32/21/74/398322174.db2.gz NECZXHYNTHZDQG-VHSXEESVSA-N 0 0 214.355 2.206 10 30 BEEERN CC#C[C@H](CC(=O)OCC)c1ccc(O)cc1 ZINC000116598712 342929620 /nfs/dbraw/zinc/92/96/20/342929620.db2.gz IHSMNXDTRPKCCG-GFCCVEGCSA-N 0 0 232.279 2.452 10 30 BEEERN Cn1nc(-c2cccs2)cc1CC#N ZINC000196542087 346884535 /nfs/dbraw/zinc/88/45/35/346884535.db2.gz WILOPKQXWGSLAU-UHFFFAOYSA-N 0 0 203.270 2.215 10 30 BEEERN SC/C=C\Cn1cnc2c1CCCC2 ZINC000379340486 342945426 /nfs/dbraw/zinc/94/54/26/342945426.db2.gz COHNHEHPPOHQTE-ARJAWSKDSA-N 0 0 208.330 2.248 10 30 BEEERN N#Cc1cnn2cc(C#Cc3ccccc3)cnc12 ZINC000117727535 343013881 /nfs/dbraw/zinc/01/38/81/343013881.db2.gz ZMGGTOTXXLMSHO-UHFFFAOYSA-N 0 0 244.257 2.001 10 30 BEEERN CCC(F)(F)CN[C@H]1CCC[C@H]1C#N ZINC000602829259 349766568 /nfs/dbraw/zinc/76/65/68/349766568.db2.gz HQOCYOMMBCFFFS-IUCAKERBSA-N 0 0 202.248 2.314 10 30 BEEERN N#C[C@H](NC(=O)C[C@H]1CCCCNC1=O)C1CC1 ZINC000329800349 136263180 /nfs/dbraw/zinc/26/31/80/136263180.db2.gz IKYLZRFABWIXJW-MNOVXSKESA-N 0 0 249.314 2.392 10 30 BEEERN O=C(ON1CCCCC1)c1ccccc1 ZINC000021995468 343032635 /nfs/dbraw/zinc/03/26/35/343032635.db2.gz XXZBTNPVRWWWPI-UHFFFAOYSA-N 0 0 205.257 2.244 10 30 BEEERN C=C(C)C(=O)c1ccc(OC(C)=O)cc1 ZINC000308818922 346922351 /nfs/dbraw/zinc/92/23/51/346922351.db2.gz WUZWVFKSTSSUSJ-UHFFFAOYSA-N 0 0 204.225 2.371 10 30 BEEERN C[C@@H](O)CCc1c[nH]c2ccc(C#N)cc12 ZINC000584882679 343085165 /nfs/dbraw/zinc/08/51/65/343085165.db2.gz XMSKZCGBUVGJGF-SECBINFHSA-N 0 0 214.268 2.353 10 30 BEEERN C#C[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000584883778 343086956 /nfs/dbraw/zinc/08/69/56/343086956.db2.gz IKFCQDLWSRZTHV-GXFFZTMASA-N 0 0 221.300 2.267 10 30 BEEERN C#C[C@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000584883780 343086967 /nfs/dbraw/zinc/08/69/67/343086967.db2.gz IKFCQDLWSRZTHV-ZWNOBZJWSA-N 0 0 221.300 2.267 10 30 BEEERN CCc1cc(N[C@@H]2CCC[C@@H]2C#N)ncn1 ZINC000309951457 343104418 /nfs/dbraw/zinc/10/44/18/343104418.db2.gz GFTQGKGGGURCEO-MWLCHTKSSA-N 0 0 216.288 2.143 10 30 BEEERN C=CCSc1ccc([N+](=O)[O-])c2nonc21 ZINC000211252856 343122270 /nfs/dbraw/zinc/12/22/70/343122270.db2.gz CHXGVNQLOOJXAX-UHFFFAOYSA-N 0 0 237.240 2.409 10 30 BEEERN OCCCC#Cc1cnc2ccccc2c1 ZINC000136006389 343197170 /nfs/dbraw/zinc/19/71/70/343197170.db2.gz ACOUIYRJMACNHN-UHFFFAOYSA-N 0 0 211.264 2.359 10 30 BEEERN CCCCS[C@H](C)C(=O)N[C@@H](C#N)C1CC1 ZINC000108834418 136275210 /nfs/dbraw/zinc/27/52/10/136275210.db2.gz UNGLKOAVGLBXJW-KOLCDFICSA-N 0 0 240.372 2.327 10 30 BEEERN N#Cc1csc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000086573723 136280975 /nfs/dbraw/zinc/28/09/75/136280975.db2.gz SVOYAWRVPMXJFR-PWSUYJOCSA-N 0 0 231.324 2.402 10 30 BEEERN N#Cc1csc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000086573722 136281045 /nfs/dbraw/zinc/28/10/45/136281045.db2.gz SVOYAWRVPMXJFR-ZYHUDNBSSA-N 0 0 231.324 2.402 10 30 BEEERN Cc1[nH]c(=O)ccc1-c1ccc(C#N)cc1 ZINC000238485898 343257379 /nfs/dbraw/zinc/25/73/79/343257379.db2.gz TZYQBUWIXVRMHW-UHFFFAOYSA-N 0 0 210.236 2.222 10 30 BEEERN CN(CC(F)F)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000136830462 346932533 /nfs/dbraw/zinc/93/25/33/346932533.db2.gz RUVXRSMCEVFFPV-UHFFFAOYSA-N 0 0 241.197 2.168 10 30 BEEERN CC(=O)O[C@H](C#N)[C@@H](C)c1ccccc1 ZINC000036459621 343319307 /nfs/dbraw/zinc/31/93/07/343319307.db2.gz QAXXLBCZQYIWPV-JOYOIKCWSA-N 0 0 203.241 2.245 10 30 BEEERN CC(C)[C@@H]1CCN(c2ncccc2C#N)C1 ZINC000134987711 343350741 /nfs/dbraw/zinc/35/07/41/343350741.db2.gz CUDZWISYMIBYIK-GFCCVEGCSA-N 0 0 215.300 2.436 10 30 BEEERN CC(C)[C@@H]1CCN(c2ccc(C#N)cn2)C1 ZINC000134987536 343350776 /nfs/dbraw/zinc/35/07/76/343350776.db2.gz GZBQIFVWKYMQFT-GFCCVEGCSA-N 0 0 215.300 2.436 10 30 BEEERN CC[C@@H](C)[C@@H](C#N)NC(=O)OC(C)(C)C ZINC000039093711 343381973 /nfs/dbraw/zinc/38/19/73/343381973.db2.gz FZTVKXQXWQJUTR-RKDXNWHRSA-N 0 0 212.293 2.449 10 30 BEEERN CCOc1cccc(C/C=N\O)c1OC ZINC000039099632 343382983 /nfs/dbraw/zinc/38/29/83/343382983.db2.gz AVVKUYQVAJFHAC-WQLSENKSSA-N 0 0 209.245 2.096 10 30 BEEERN Cc1cn([C@H](C)/C(N)=N\O)c2ccccc12 ZINC000039109912 343384998 /nfs/dbraw/zinc/38/49/98/343384998.db2.gz RCYYKOXUPFHXNI-SECBINFHSA-N 0 0 217.272 2.257 10 30 BEEERN CC(C)c1c(OCC#N)ccc2c1OCCO2 ZINC000039135179 343386270 /nfs/dbraw/zinc/38/62/70/343386270.db2.gz LOWLPVJSJIJCEQ-UHFFFAOYSA-N 0 0 233.267 2.484 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Nc2cn(C)nc2C2CC2)O1 ZINC000329617169 136367737 /nfs/dbraw/zinc/36/77/37/136367737.db2.gz LQDARNPDBSRUIX-KCJUWKMLSA-N 0 0 249.314 2.453 10 30 BEEERN N#CC1(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CCCCC1 ZINC000251294657 343713009 /nfs/dbraw/zinc/71/30/09/343713009.db2.gz OAVLWMBTIKQYHU-ZSBIGDGJSA-N 0 0 232.327 2.375 10 30 BEEERN CSc1ccc(/C(N)=N/O)cc1Cl ZINC000062795013 343744729 /nfs/dbraw/zinc/74/47/29/343744729.db2.gz LHJANUDQRWTLKX-UHFFFAOYSA-N 0 0 216.693 2.156 10 30 BEEERN CCCC(=O)O/N=C/c1ccccc1OC ZINC000207653945 343725010 /nfs/dbraw/zinc/72/50/10/343725010.db2.gz LZUBTBBBIQJRIM-UKTHLTGXSA-N 0 0 221.256 2.372 10 30 BEEERN CCc1cnc(C#Cc2ccccc2)nc1 ZINC000034028109 343780031 /nfs/dbraw/zinc/78/00/31/343780031.db2.gz PTTDOVJTSUDOPP-UHFFFAOYSA-N 0 0 208.264 2.439 10 30 BEEERN C[C@@H]1CCC[C@H](C)N1C(=O)C#CBr ZINC000306491904 343783400 /nfs/dbraw/zinc/78/34/00/343783400.db2.gz PAZMZAHUBNAOPV-DTORHVGOSA-N 0 0 244.132 2.132 10 30 BEEERN N#C[C@@H](N)c1ccc(N2CCCCCC2)o1 ZINC000409438487 343844232 /nfs/dbraw/zinc/84/42/32/343844232.db2.gz CVHDSIPBAWJXMH-SNVBAGLBSA-N 0 0 219.288 2.183 10 30 BEEERN C#CCn1nc(-c2cccnc2)cc1CC ZINC000409438689 343844818 /nfs/dbraw/zinc/84/48/18/343844818.db2.gz FDKMUKYOVBECGS-UHFFFAOYSA-N 0 0 211.268 2.141 10 30 BEEERN CCc1[nH]nc(-c2ccncc2)c1CCC#N ZINC000409439487 343847376 /nfs/dbraw/zinc/84/73/76/343847376.db2.gz IMSBDLLCEIXMFN-UHFFFAOYSA-N 0 0 226.283 2.490 10 30 BEEERN C#CCN1CCn2nc(-c3ccsc3)cc2C1 ZINC000409439592 343847977 /nfs/dbraw/zinc/84/79/77/343847977.db2.gz SHPUUYLTRKBCCZ-UHFFFAOYSA-N 0 0 243.335 2.060 10 30 BEEERN CC(C)(O)C#Cc1cc(C(F)(F)F)ccn1 ZINC000585143636 343878458 /nfs/dbraw/zinc/87/84/58/343878458.db2.gz DRHDXTVPZIPXJM-UHFFFAOYSA-N 0 0 229.201 2.223 10 30 BEEERN CCc1cc(-c2ccsc2)nn1CC=O ZINC000409442327 343857927 /nfs/dbraw/zinc/85/79/27/343857927.db2.gz YWDBEDDNWVXHNB-UHFFFAOYSA-N 0 0 220.297 2.373 10 30 BEEERN CCOC(=O)[C@H]1O[C@@]12CCCC21CCCC1 ZINC000328276390 537829481 /nfs/dbraw/zinc/82/94/81/537829481.db2.gz OPVQTPXRRLOLQB-MFKMUULPSA-N 0 0 224.300 2.431 10 30 BEEERN O=CCc1cn(CC2CC2)nc1C(F)(F)F ZINC000409441719 343860811 /nfs/dbraw/zinc/86/08/11/343860811.db2.gz ZQJSRBPYZJVIKU-UHFFFAOYSA-N 0 0 232.205 2.053 10 30 BEEERN CCn1nc(-c2ccccn2)cc1CC#N ZINC000409443880 343863507 /nfs/dbraw/zinc/86/35/07/343863507.db2.gz VXZCSVRTUKSHQK-UHFFFAOYSA-N 0 0 212.256 2.031 10 30 BEEERN N#CCc1cc(-c2cccnc2)nn1C(F)F ZINC000409443501 343867765 /nfs/dbraw/zinc/86/77/65/343867765.db2.gz OCLHMJAWONDJRZ-UHFFFAOYSA-N 0 0 234.209 2.406 10 30 BEEERN C[C@H](S)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000235268871 343947280 /nfs/dbraw/zinc/94/72/80/343947280.db2.gz KPXVNPBKIARMLY-KXUCPTDWSA-N 0 0 215.362 2.247 10 30 BEEERN C[C@@H](S)C(=O)N[C@@H](C)C1CCCCC1 ZINC000235284753 343948781 /nfs/dbraw/zinc/94/87/81/343948781.db2.gz BQKBUPOSPZMUME-DTWKUNHWSA-N 0 0 215.362 2.390 10 30 BEEERN COC1(C(F)(F)F)CCC(C=O)CC1 ZINC000220130873 344050478 /nfs/dbraw/zinc/05/04/78/344050478.db2.gz BESVCNUQDFRMBH-UHFFFAOYSA-N 0 0 210.195 2.323 10 30 BEEERN CC(C)C(C)(C)N=C(NC#N)Nc1cccnc1 ZINC000026576595 344150813 /nfs/dbraw/zinc/15/08/13/344150813.db2.gz CUPRMOIDECPOGA-UHFFFAOYSA-N 0 0 245.330 2.355 10 30 BEEERN COCC#Cc1ccc(C(F)(F)F)cn1 ZINC000585145292 344180366 /nfs/dbraw/zinc/18/03/66/344180366.db2.gz LLWNKDPMJQLRCP-UHFFFAOYSA-N 0 0 215.174 2.098 10 30 BEEERN Cc1ccc(NC(=O)[C@@H](C)S)cc1F ZINC000220317187 344186731 /nfs/dbraw/zinc/18/67/31/344186731.db2.gz DHXOFFFBSYMYOB-SSDOTTSWSA-N 0 0 213.277 2.391 10 30 BEEERN CO[C@@H]1CCC[C@](Br)(C#N)C1 ZINC000234797812 344265405 /nfs/dbraw/zinc/26/54/05/344265405.db2.gz XFFYJCKXHXBSQJ-HTQZYQBOSA-N 0 0 218.094 2.233 10 30 BEEERN N#Cc1sc(-c2cncs2)cc1N ZINC000236358968 344356799 /nfs/dbraw/zinc/35/67/99/344356799.db2.gz HVLGQQBHRSZODP-UHFFFAOYSA-N 0 0 207.283 2.325 10 30 BEEERN COC(=O)c1c(C)ccc(C#N)c1Cl ZINC000306723478 344417328 /nfs/dbraw/zinc/41/73/28/344417328.db2.gz RSWDLTCJHRPFJJ-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C[C@@H](C#N)CN(Cc1ccco1)C1CC1 ZINC000042692992 344462236 /nfs/dbraw/zinc/46/22/36/344462236.db2.gz NHOHERPYFYPSQK-JTQLQIEISA-N 0 0 204.273 2.404 10 30 BEEERN N#Cc1cn(CCF)nc1-c1cccs1 ZINC000409438160 344462915 /nfs/dbraw/zinc/46/29/15/344462915.db2.gz KGGQOUZLYHZYKD-UHFFFAOYSA-N 0 0 221.260 2.453 10 30 BEEERN Cc1nc(C#N)cc(Cc2ccccc2F)n1 ZINC000409440039 344463435 /nfs/dbraw/zinc/46/34/35/344463435.db2.gz VHJZQRWNTHGLNH-UHFFFAOYSA-N 0 0 227.242 2.387 10 30 BEEERN CC(C)c1[nH]nc(-c2cccnc2)c1C#N ZINC000409439474 344463446 /nfs/dbraw/zinc/46/34/46/344463446.db2.gz IGLDRKYJJYEOCB-UHFFFAOYSA-N 0 0 212.256 2.467 10 30 BEEERN COc1ncccc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000054825483 344471708 /nfs/dbraw/zinc/47/17/08/344471708.db2.gz PZNCQUQSWKXAOH-DGCLKSJQSA-N 0 0 245.326 2.262 10 30 BEEERN Cc1ccc(/C(N)=N/O)c(C(F)(F)F)c1 ZINC000166103669 344524794 /nfs/dbraw/zinc/52/47/94/344524794.db2.gz HSNCBZWVXXXEEU-UHFFFAOYSA-N 0 0 218.178 2.108 10 30 BEEERN Cc1nc(C#N)cc(-c2cccs2)n1 ZINC000259020165 344525759 /nfs/dbraw/zinc/52/57/59/344525759.db2.gz IRTCFLNVVWGCJJ-UHFFFAOYSA-N 0 0 201.254 2.385 10 30 BEEERN C=CCOc1ccc(C2OCCO2)cc1 ZINC000044227875 344536821 /nfs/dbraw/zinc/53/68/21/344536821.db2.gz PWOZOGGCXQEUJX-UHFFFAOYSA-N 0 0 206.241 2.297 10 30 BEEERN CC(C)[C@@H]1C[C@](Br)(C#N)CCO1 ZINC000127620453 344576562 /nfs/dbraw/zinc/57/65/62/344576562.db2.gz RSQJEYZFECUYBJ-IUCAKERBSA-N 0 0 232.121 2.479 10 30 BEEERN N#Cc1cc(OC(F)(F)F)c(F)cc1N ZINC000396134380 344612466 /nfs/dbraw/zinc/61/24/66/344612466.db2.gz CVTHLVNPBIDXAI-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN COc1cnc(CC#N)c(C(F)(F)F)c1 ZINC000396108476 344605141 /nfs/dbraw/zinc/60/51/41/344605141.db2.gz WLOAGMXRVSKBQF-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN COc1cc(CC#N)ncc1C(F)(F)F ZINC000396109394 344605159 /nfs/dbraw/zinc/60/51/59/344605159.db2.gz XZMQLWIPZIUWOT-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN CC(C)(C=O)COC(=O)c1ccccc1 ZINC000117576745 344747869 /nfs/dbraw/zinc/74/78/69/344747869.db2.gz ZZFHBVUWNRIESU-UHFFFAOYSA-N 0 0 206.241 2.069 10 30 BEEERN Cc1cc(C#N)cc(N2CCC3(CC3)C2)n1 ZINC000400436841 344687502 /nfs/dbraw/zinc/68/75/02/344687502.db2.gz GYYYNLLXPXMOGS-UHFFFAOYSA-N 0 0 213.284 2.252 10 30 BEEERN COC(=O)c1c(C)c(C#N)ccc1Cl ZINC000307081293 344748378 /nfs/dbraw/zinc/74/83/78/344748378.db2.gz OYMLYBKVEUWRIF-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C[C@@H](C#N)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000289361910 344709267 /nfs/dbraw/zinc/70/92/67/344709267.db2.gz AGZXTORGHDRPTC-JSGCOSHPSA-N 0 0 241.338 2.035 10 30 BEEERN C[C@H](OS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000166204190 344788168 /nfs/dbraw/zinc/78/81/68/344788168.db2.gz RYDHCJIFOHWVJV-LURJTMIESA-N 0 0 236.239 2.002 10 30 BEEERN Cc1cc(Br)c(F)c(C#N)c1N ZINC000135622273 344804476 /nfs/dbraw/zinc/80/44/76/344804476.db2.gz SORPGWOBQXXOCK-UHFFFAOYSA-N 0 0 229.052 2.351 10 30 BEEERN COC(=O)CC1([C@H]2CO2)CCC(C)CC1 ZINC000675052965 537861158 /nfs/dbraw/zinc/86/11/58/537861158.db2.gz JNOSMBUGTYHHDM-SQLBVSGCSA-N 0 0 212.289 2.145 10 30 BEEERN CC(C)(C#N)C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000378082485 534970227 /nfs/dbraw/zinc/97/02/27/534970227.db2.gz HESYXAGYRLWAPR-WDEREUQCSA-N 0 0 220.316 2.327 10 30 BEEERN CC(C)[C@H]1CCN(c2cnccc2C#N)C1 ZINC000135647454 344832610 /nfs/dbraw/zinc/83/26/10/344832610.db2.gz YJJHMTSDJAFUIX-LBPRGKRZSA-N 0 0 215.300 2.436 10 30 BEEERN CC(C)[C@@H]1CCN(c2cnccc2C#N)C1 ZINC000135647429 344832734 /nfs/dbraw/zinc/83/27/34/344832734.db2.gz YJJHMTSDJAFUIX-GFCCVEGCSA-N 0 0 215.300 2.436 10 30 BEEERN C=CCN1CCc2cc(C(C)=O)ccc21 ZINC000166313079 344853671 /nfs/dbraw/zinc/85/36/71/344853671.db2.gz AYKURCSKYTWVBW-UHFFFAOYSA-N 0 0 201.269 2.438 10 30 BEEERN C=CCCCN(C)C(=O)c1ccc(COC)o1 ZINC000135666147 344842290 /nfs/dbraw/zinc/84/22/90/344842290.db2.gz DHJKGDBVKGRSSF-UHFFFAOYSA-N 0 0 237.299 2.464 10 30 BEEERN C#C[C@](C)(O)Cc1ccc(Br)cc1 ZINC000235391685 344901267 /nfs/dbraw/zinc/90/12/67/344901267.db2.gz LXPUAWNSWPXBSE-NSHDSACASA-N 0 0 239.112 2.376 10 30 BEEERN C[C@H](C#N)[C@@H](O)c1occc1Br ZINC000235406033 344904030 /nfs/dbraw/zinc/90/40/30/344904030.db2.gz YKATTZAUAHUASW-IYSWYEEDSA-N 0 0 230.061 2.235 10 30 BEEERN Cc1ccc2[nH]c(SCC=O)nc2c1 ZINC000061440570 344937875 /nfs/dbraw/zinc/93/78/75/344937875.db2.gz SKDDBZIDXMNGEI-UHFFFAOYSA-N 0 0 206.270 2.162 10 30 BEEERN C[C@H](S)C(=O)N[C@@H]1CCCCC[C@@H]1C ZINC000235560233 344938527 /nfs/dbraw/zinc/93/85/27/344938527.db2.gz PJPNOAYAJVAWIB-LPEHRKFASA-N 0 0 215.362 2.390 10 30 BEEERN C=C[C@H](C)Nc1c(N)c[nH+]cc1Br ZINC000235546645 344936988 /nfs/dbraw/zinc/93/69/88/344936988.db2.gz TZRNHBUOQXLQBW-LURJTMIESA-N 0 0 242.120 2.413 10 30 BEEERN C#C[C@H](C)Oc1cc([N+](=O)[O-])cc(Cl)n1 ZINC000235557265 344940783 /nfs/dbraw/zinc/94/07/83/344940783.db2.gz UGPJXPPZUFXYOF-LURJTMIESA-N 0 0 226.619 2.044 10 30 BEEERN C[C@H](S)C(=O)N[C@H]1CCCCC[C@@H]1C ZINC000235562106 344943628 /nfs/dbraw/zinc/94/36/28/344943628.db2.gz PJPNOAYAJVAWIB-GUBZILKMSA-N 0 0 215.362 2.390 10 30 BEEERN Cc1c(F)cccc1NC(=O)[C@H](C)S ZINC000235564533 344944178 /nfs/dbraw/zinc/94/41/78/344944178.db2.gz CJSFPPBVKXANDC-ZETCQYMHSA-N 0 0 213.277 2.391 10 30 BEEERN Cc1ccnc(C#N)c1OC(F)(F)F ZINC000238466452 345053983 /nfs/dbraw/zinc/05/39/83/345053983.db2.gz KYUZBAFSQIVRCE-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN Cc1cnc(OC(F)(F)F)c(C#N)c1 ZINC000238535063 345071948 /nfs/dbraw/zinc/07/19/48/345071948.db2.gz GERIVUCKSVUVDI-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1cc(OC(F)(F)F)ccn1 ZINC000238537973 345072769 /nfs/dbraw/zinc/07/27/69/345072769.db2.gz IKTJVOVLKHBAFE-UHFFFAOYSA-N 0 0 202.135 2.046 10 30 BEEERN Cc1cncc(C#N)c1OC(F)(F)F ZINC000238539355 345072843 /nfs/dbraw/zinc/07/28/43/345072843.db2.gz IXBAFFVCTVRHKS-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN C=C[C@@H]([NH3+])c1ccncc1Br ZINC000238575674 345078932 /nfs/dbraw/zinc/07/89/32/345078932.db2.gz DFODEHCYYRISOA-MRVPVSSYSA-N 0 0 213.078 2.030 10 30 BEEERN Cc1cc(C#N)cnc1OC(F)(F)F ZINC000238483728 345057836 /nfs/dbraw/zinc/05/78/36/345057836.db2.gz IKEYSXSOTOFQQT-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN Cc1cnc(C#N)c(OC(F)(F)F)c1 ZINC000238497688 345062953 /nfs/dbraw/zinc/06/29/53/345062953.db2.gz XLFDBDQOOWXWMD-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1c(O)cccc1Br ZINC000238723029 345118639 /nfs/dbraw/zinc/11/86/39/345118639.db2.gz PZNTUHIUUYPMAC-UHFFFAOYSA-N 0 0 212.046 2.221 10 30 BEEERN C[C@H]1CN(CC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000126662375 345131018 /nfs/dbraw/zinc/13/10/18/345131018.db2.gz COUOFLYOQYEJIX-GXFFZTMASA-N 0 0 234.274 2.111 10 30 BEEERN N#C[C@]1(Cc2cncs2)CCCS1 ZINC000159809900 345541310 /nfs/dbraw/zinc/54/13/10/345541310.db2.gz BXKLKKPBLBJOHS-SECBINFHSA-N 0 0 210.327 2.475 10 30 BEEERN CCCCCCCCOC[C@@H](O)C[NH+](C)C ZINC000136147416 345806988 /nfs/dbraw/zinc/80/69/88/345806988.db2.gz ITSKICHQTDINGY-ZDUSSCGKSA-N 0 0 231.380 2.286 10 30 BEEERN CCCc1c(O)c(C(C)=O)ccc1OCC#N ZINC000034144132 345817928 /nfs/dbraw/zinc/81/79/28/345817928.db2.gz JVIFMBLXXXXBHW-UHFFFAOYSA-N 0 0 233.267 2.450 10 30 BEEERN CC1(C)OC[C@H](/C=C/C(=O)c2nccs2)O1 ZINC000135939163 345794513 /nfs/dbraw/zinc/79/45/13/345794513.db2.gz IUZJFBWHUXIJBE-RTMURIBGSA-N 0 0 239.296 2.034 10 30 BEEERN Cc1cc(NC(=O)CCS)ccc1F ZINC000235754517 345843445 /nfs/dbraw/zinc/84/34/45/345843445.db2.gz LYMPTVLBVWUADW-UHFFFAOYSA-N 0 0 213.277 2.393 10 30 BEEERN Cc1cnc2[nH]c3cc(C#N)cc(N)c3c2c1 ZINC000035322312 345849976 /nfs/dbraw/zinc/84/99/76/345849976.db2.gz NGLZZNPOCXVZBC-UHFFFAOYSA-N 0 0 222.251 2.478 10 30 BEEERN O[C@H](C#Cc1cccnc1)c1ccccc1 ZINC000140078820 345850844 /nfs/dbraw/zinc/85/08/44/345850844.db2.gz KUVJLZSPQPYDSW-CQSZACIVSA-N 0 0 209.248 2.167 10 30 BEEERN N#Cc1cccc(-c2nc3ccccc3[nH]c2=O)c1 ZINC000141222767 345860012 /nfs/dbraw/zinc/86/00/12/345860012.db2.gz ZVHNFNIDIJKCAN-UHFFFAOYSA-N 0 0 247.257 2.462 10 30 BEEERN C#CC[C@@]12CCCc3cccc(c31)NC2=O ZINC000034384139 345825144 /nfs/dbraw/zinc/82/51/44/345825144.db2.gz YSLRQKOBLPZNCR-CQSZACIVSA-N 0 0 211.264 2.236 10 30 BEEERN COc1cccc2c1CC[C@@H](C#N)[C@H]2C#N ZINC000034415671 345828739 /nfs/dbraw/zinc/82/87/39/345828739.db2.gz TWOYAUBDFPZDEJ-JOYOIKCWSA-N 0 0 212.252 2.388 10 30 BEEERN COC(=O)CCCCCCC[C@H]1CO1 ZINC000034568671 345832203 /nfs/dbraw/zinc/83/22/03/345832203.db2.gz JMKMKVPLEQYRBF-JTQLQIEISA-N 0 0 200.278 2.289 10 30 BEEERN C[C@@H]1C[C@@H](C(=O)N(CC#N)CC#N)CC(C)(C)C1 ZINC000180623394 345925804 /nfs/dbraw/zinc/92/58/04/345925804.db2.gz XBMWMARYFCYBBC-VXGBXAGGSA-N 0 0 247.342 2.325 10 30 BEEERN CC(=O)N/C(C)=C\C(=O)c1ccc(F)cc1 ZINC000144718830 345924195 /nfs/dbraw/zinc/92/41/95/345924195.db2.gz FUAYQINAWGRNPS-FPLPWBNLSA-N 0 0 221.231 2.048 10 30 BEEERN C#C[C@H](C)Nc1cc(Cl)nnc1Cl ZINC000166915162 345954096 /nfs/dbraw/zinc/95/40/96/345954096.db2.gz BQPPXNMZIHPVRQ-YFKPBYRVSA-N 0 0 216.071 2.217 10 30 BEEERN CN(C)/C=C/C(=O)[C@H]1CC2CCC1CC2 ZINC000307647184 537924463 /nfs/dbraw/zinc/92/44/63/537924463.db2.gz NJGHHPJXUNIBAS-MQMQQVJNSA-N 0 0 207.317 2.457 10 30 BEEERN Cc1cc(F)c(Br)c(C#N)c1N ZINC000235846184 345946949 /nfs/dbraw/zinc/94/69/49/345946949.db2.gz RCCVAILLPRXQDP-UHFFFAOYSA-N 0 0 229.052 2.351 10 30 BEEERN COc1c(C)nc(Br)c(C#N)c1C ZINC000166896375 345948551 /nfs/dbraw/zinc/94/85/51/345948551.db2.gz JRXIRAYCFFZCES-UHFFFAOYSA-N 0 0 241.088 2.341 10 30 BEEERN CC1(C#N)CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000300269893 346007883 /nfs/dbraw/zinc/00/78/83/346007883.db2.gz DBRHNYPRRHHUQV-ZSBIGDGJSA-N 0 0 232.327 2.185 10 30 BEEERN CCCO/N=C(C#N)/C(Cl)=N/OCCC ZINC000148794674 346051793 /nfs/dbraw/zinc/05/17/93/346051793.db2.gz DTPGAFZVQVUVIR-UQXQTEIVSA-N 0 0 231.683 2.271 10 30 BEEERN COc1nccc(OC(F)(F)F)c1CC#N ZINC000390566323 346117468 /nfs/dbraw/zinc/11/74/68/346117468.db2.gz LUJGEAVNFWOIPG-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN O=CCc1c(F)ccc(Br)c1F ZINC000236181848 346204384 /nfs/dbraw/zinc/20/43/84/346204384.db2.gz RCUDPVSPKLFPGR-UHFFFAOYSA-N 0 0 235.027 2.469 10 30 BEEERN C#C[C@H](NN)c1cc(Cl)sc1Cl ZINC000236204430 346209816 /nfs/dbraw/zinc/20/98/16/346209816.db2.gz ABXJBAYPBFWUHM-YFKPBYRVSA-N 0 0 221.112 2.193 10 30 BEEERN N#Cc1ccnc(Sc2ncco2)c1 ZINC000236205884 346209986 /nfs/dbraw/zinc/20/99/86/346209986.db2.gz HXAZQCBABMAJBH-UHFFFAOYSA-N 0 0 203.226 2.092 10 30 BEEERN N#Cc1sc(NCc2c[nH]cn2)nc1Cl ZINC000236042328 346186674 /nfs/dbraw/zinc/18/66/74/346186674.db2.gz INNULIIXVLMPJQ-UHFFFAOYSA-N 0 0 239.691 2.003 10 30 BEEERN N#CCc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000236138587 346197375 /nfs/dbraw/zinc/19/73/75/346197375.db2.gz BFERRQLDBAZXIJ-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C[C@]1(N(O)/C=C2/C=CC=CC2=O)CCCCC1=O ZINC000136437725 346217375 /nfs/dbraw/zinc/21/73/75/346217375.db2.gz BDZUQGHYWVSJEH-BMSUMIBZSA-N 0 0 247.294 2.158 10 30 BEEERN Cc1cccc(C(=O)N2CCC(=NO)CC2)c1 ZINC000019470720 179006965 /nfs/dbraw/zinc/00/69/65/179006965.db2.gz FVOBEVCVPQLEHM-UHFFFAOYSA-N 0 0 232.283 2.061 10 30 BEEERN Cc1cccc(C)c1N1C[C@H](C#N)CC1=O ZINC000011894175 179039791 /nfs/dbraw/zinc/03/97/91/179039791.db2.gz KCHBQFSTJSHXJS-NSHDSACASA-N 0 0 214.268 2.180 10 30 BEEERN CC(C)NC(=O)c1ccc(Cl)c(C#N)c1F ZINC000669379272 537976787 /nfs/dbraw/zinc/97/67/87/537976787.db2.gz ZMUXQMKBFHIWBS-UHFFFAOYSA-N 0 0 240.665 2.489 10 30 BEEERN CCc1[nH]nc(N)c1Cc1ccc(C#N)cc1 ZINC000095643051 346390524 /nfs/dbraw/zinc/39/05/24/346390524.db2.gz GBJDHZBIWOQVPR-UHFFFAOYSA-N 0 0 226.283 2.017 10 30 BEEERN COc1cc(C#C[Si](C)(C)C)c(C=O)cn1 ZINC000200246695 346418686 /nfs/dbraw/zinc/41/86/86/346418686.db2.gz WMLNKIRPHIHIAN-UHFFFAOYSA-N 0 0 233.343 2.132 10 30 BEEERN O=CC[C@@H](O)c1ccc(Br)c(F)c1 ZINC000159410692 346420635 /nfs/dbraw/zinc/42/06/35/346420635.db2.gz WESWBXWNSRYLSS-SECBINFHSA-N 0 0 247.063 2.211 10 30 BEEERN O=CC[C@H](O)c1ccc(F)c(Cl)c1 ZINC000159413330 346420649 /nfs/dbraw/zinc/42/06/49/346420649.db2.gz MLXJBKCTJZPREP-VIFPVBQESA-N 0 0 202.612 2.102 10 30 BEEERN ON=C1CCC(OCC(F)(F)F)CC1 ZINC000164184671 346594986 /nfs/dbraw/zinc/59/49/86/346594986.db2.gz OMRHWPDFHUWTHE-UHFFFAOYSA-N 0 0 211.183 2.338 10 30 BEEERN COc1ccc(OC)c(C#N)c1Br ZINC000034507354 346660150 /nfs/dbraw/zinc/66/01/50/346660150.db2.gz FOYACEGZFJUTRR-UHFFFAOYSA-N 0 0 242.072 2.338 10 30 BEEERN C=C(C(=O)OCC)[C@H](O)c1cccc(C)c1 ZINC000019835280 187370775 /nfs/dbraw/zinc/37/07/75/187370775.db2.gz LXSKWSXHVYYWLM-LBPRGKRZSA-N 0 0 220.268 2.148 10 30 BEEERN Cc1cccc(N[C@@H](C#N)[C@H]2CCOC2)c1 ZINC000037936723 179152236 /nfs/dbraw/zinc/15/22/36/179152236.db2.gz CZXZZZZVCWBVMB-AAEUAGOBSA-N 0 0 216.284 2.336 10 30 BEEERN Cc1cncc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000309703624 347144837 /nfs/dbraw/zinc/14/48/37/347144837.db2.gz NOIKFRVKPNVDEY-OLZOCXBDSA-N 0 0 215.300 2.172 10 30 BEEERN N#C[C@H]1CCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000390110820 347251438 /nfs/dbraw/zinc/25/14/38/347251438.db2.gz WSXSUUCWIUAABM-HUUCEWRRSA-N 0 0 244.338 2.485 10 30 BEEERN Cc1cccc([C@H](C#N)NC[C@@H]2CCCO2)c1 ZINC000037939859 179191237 /nfs/dbraw/zinc/19/12/37/179191237.db2.gz NGOGBMOYYKPSCM-KBPBESRZSA-N 0 0 230.311 2.328 10 30 BEEERN CC(C)(C#N)Cc1cn2ccsc2n1 ZINC000149577647 347333819 /nfs/dbraw/zinc/33/38/19/347333819.db2.gz MLLBKWOAEGFXKC-UHFFFAOYSA-N 0 0 205.286 2.488 10 30 BEEERN Cc1cccc2c1N(CCCCC#N)C(=O)C2=O ZINC000049578694 179218347 /nfs/dbraw/zinc/21/83/47/179218347.db2.gz IYEXDZSNLHAUKT-UHFFFAOYSA-N 0 0 242.278 2.218 10 30 BEEERN C#CC(=O)Nc1ccc(Br)cc1C ZINC000036720003 347445176 /nfs/dbraw/zinc/44/51/76/347445176.db2.gz PXTYWOBNWWGEKJ-UHFFFAOYSA-N 0 0 238.084 2.329 10 30 BEEERN CC(=O)/C(=C\N(C)C)Oc1ccccc1 ZINC000196236207 347489884 /nfs/dbraw/zinc/48/98/84/347489884.db2.gz NKVBTVKHSPFJAL-FMIVXFBMSA-N 0 0 205.257 2.057 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)c1cccc(F)c1N ZINC000054211707 1172093471 /nfs/dbraw/zinc/09/34/71/1172093471.db2.gz GTXFSCMKTZBZAA-SECBINFHSA-N 0 0 249.289 2.030 10 30 BEEERN Cc1ccccc1Cn1c(C)ccc(C#N)c1=O ZINC000041605095 179293491 /nfs/dbraw/zinc/29/34/91/179293491.db2.gz CLJRBTZPUVUJCK-UHFFFAOYSA-N 0 0 238.290 2.385 10 30 BEEERN CC(=O)c1ccccc1C#CC(C)(C)O ZINC000200025801 347786213 /nfs/dbraw/zinc/78/62/13/347786213.db2.gz XTMBRKWNBALHIK-UHFFFAOYSA-N 0 0 202.253 2.012 10 30 BEEERN Cc1ccccc1[C@@H](C#N)NC[C@@H]1CCCO1 ZINC000037940036 179316646 /nfs/dbraw/zinc/31/66/46/179316646.db2.gz LTALABXGRDGUNO-GXTWGEPZSA-N 0 0 230.311 2.328 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000593504774 347907678 /nfs/dbraw/zinc/90/76/78/347907678.db2.gz YAXSVPQEPMEEOY-XVIXHAIJSA-N 0 0 244.338 2.397 10 30 BEEERN CCOP(=O)(OCC)c1ccccc1C#N ZINC000196806319 348029964 /nfs/dbraw/zinc/02/99/64/348029964.db2.gz IQWBLVQEHQNAOV-UHFFFAOYSA-N 0 0 239.211 2.450 10 30 BEEERN C[Si](C)(C)C#Cc1cc([N+](=O)[O-])ccc1N ZINC000197244710 348163416 /nfs/dbraw/zinc/16/34/16/348163416.db2.gz QFMNEIGGYKEWON-UHFFFAOYSA-N 0 0 234.331 2.406 10 30 BEEERN CC(C)[C@@H]1CCCCC1=NNC(N)=S ZINC000251352251 362865764 /nfs/dbraw/zinc/86/57/64/362865764.db2.gz SRBHAIPRFOOJBY-QMMMGPOBSA-N 0 0 213.350 2.022 10 30 BEEERN N#CCOc1c(N)cc(F)cc1Br ZINC000037288817 348312141 /nfs/dbraw/zinc/31/21/41/348312141.db2.gz CTQJQPNTKVFIMS-UHFFFAOYSA-N 0 0 245.051 2.073 10 30 BEEERN CCn1cc(CN[C@H]2CCCC[C@@H]2C#N)cn1 ZINC000595690337 348315698 /nfs/dbraw/zinc/31/56/98/348315698.db2.gz QLHDFARRURQOJF-OLZOCXBDSA-N 0 0 232.331 2.075 10 30 BEEERN Cc1ccnc(N2CCC[C@@]23CCOC3)c1C#N ZINC000311071266 179431601 /nfs/dbraw/zinc/43/16/01/179431601.db2.gz KFCBRPIATVYFDL-AWEZNQCLSA-N 0 0 243.310 2.021 10 30 BEEERN CCCN(C)c1nc(C#N)ccc1Cl ZINC000669382490 538004763 /nfs/dbraw/zinc/00/47/63/538004763.db2.gz LQJIBXRXDCDKCU-UHFFFAOYSA-N 0 0 209.680 2.453 10 30 BEEERN N#Cc1cc(F)c(NC2CC(CO)C2)c(F)c1 ZINC000596570207 348584291 /nfs/dbraw/zinc/58/42/91/348584291.db2.gz WKQASAGKYDZGQV-UHFFFAOYSA-N 0 0 238.237 2.019 10 30 BEEERN C=CCOC(=C)CNC(=O)OC(C)(C)C ZINC000584645379 490182358 /nfs/dbraw/zinc/18/23/58/490182358.db2.gz NHTQOFYCOFFHNF-UHFFFAOYSA-N 0 0 213.277 2.227 10 30 BEEERN CC[C@H](Nc1cc(C#N)ncn1)C(C)C ZINC000308801568 348643387 /nfs/dbraw/zinc/64/33/87/348643387.db2.gz KZDGEWUDRIFZQE-JTQLQIEISA-N 0 0 204.277 2.195 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000597340377 348720346 /nfs/dbraw/zinc/72/03/46/348720346.db2.gz RBXUGCFQOOBDJI-YYHQMBLXSA-N 0 0 232.327 2.231 10 30 BEEERN CC(C)(C#N)NC(=O)c1cccc2ncccc21 ZINC000058003474 349172548 /nfs/dbraw/zinc/17/25/48/349172548.db2.gz YAWKPZAVHNORAC-UHFFFAOYSA-N 0 0 239.278 2.267 10 30 BEEERN C[C@H](CC(=O)N[C@@H]1CCC[C@H]1C#N)C(F)(F)F ZINC000599629683 349228078 /nfs/dbraw/zinc/22/80/78/349228078.db2.gz KQZAPPCWTUHBIV-HRDYMLBCSA-N 0 0 248.248 2.383 10 30 BEEERN Cc1cccc(O)c1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000599630219 349230271 /nfs/dbraw/zinc/23/02/71/349230271.db2.gz OWAVUHNWJFUESD-QWRGUYRKSA-N 0 0 244.294 2.123 10 30 BEEERN C=C(Br)CN1CCC[C@H]2OCC[C@H]21 ZINC000307206317 349250993 /nfs/dbraw/zinc/25/09/93/349250993.db2.gz KMXQLFMUTDHYMA-NXEZZACHSA-N 0 0 246.148 2.148 10 30 BEEERN CCC#CCCOC(=O)c1ccccc1N ZINC000309046652 349402428 /nfs/dbraw/zinc/40/24/28/349402428.db2.gz BBJHORUFXJAELZ-UHFFFAOYSA-N 0 0 217.268 2.229 10 30 BEEERN CCOC(=O)C/N=C(/OCC)c1ccccc1 ZINC000255984188 349371659 /nfs/dbraw/zinc/37/16/59/349371659.db2.gz KVHXAPWGWIMEOF-BUHFOSPRSA-N 0 0 235.283 2.033 10 30 BEEERN N#CCc1nc(-c2cscn2)cs1 ZINC000217801648 350074093 /nfs/dbraw/zinc/07/40/93/350074093.db2.gz QDKONNHFSLUIGY-UHFFFAOYSA-N 0 0 207.283 2.333 10 30 BEEERN CC(=O)CC[C@@H]1C(=O)[C@@H]([C@@H](C)C=O)CC[C@H]1C ZINC000077312104 191006327 /nfs/dbraw/zinc/00/63/27/191006327.db2.gz RTBJZMMNKXQFDB-RSLMWUCJSA-N 0 0 238.327 2.422 10 30 in-vitro BEEERN COCC[C@H](C#N)c1cnc(C(F)(F)F)nc1 ZINC000217353923 350051286 /nfs/dbraw/zinc/05/12/86/350051286.db2.gz XMXWFCOEDOFNHN-SSDOTTSWSA-N 0 0 245.204 2.139 10 30 BEEERN CC(C)N(CC#N)C(=O)c1ccccc1F ZINC000057501176 187437831 /nfs/dbraw/zinc/43/78/31/187437831.db2.gz ARQACVQMWXCGFD-UHFFFAOYSA-N 0 0 220.247 2.200 10 30 BEEERN CC(C)(C)OC(=O)NC1(C#N)CCSCC1 ZINC000218622613 350098245 /nfs/dbraw/zinc/09/82/45/350098245.db2.gz QUPURUSULLBNRH-UHFFFAOYSA-N 0 0 242.344 2.300 10 30 BEEERN N#Cc1ccc(N2C(=O)C=CC2=O)c2ccccc12 ZINC000220015233 350156716 /nfs/dbraw/zinc/15/67/16/350156716.db2.gz POGQCFJSUDHJFB-UHFFFAOYSA-N 0 0 248.241 2.141 10 30 BEEERN C=C(C)CN(C[C@H](C)O)C(=O)OC(C)(C)C ZINC000220208776 350165626 /nfs/dbraw/zinc/16/56/26/350165626.db2.gz XNJGWQKDZKNFLP-JTQLQIEISA-N 0 0 229.320 2.180 10 30 BEEERN CC#CCC(=O)[C@H]1COc2ccccc21 ZINC000128793090 350182469 /nfs/dbraw/zinc/18/24/69/350182469.db2.gz XHHCLJRPHTVOKE-NSHDSACASA-N 0 0 200.237 2.145 10 30 BEEERN N#CC1(c2ccc(C(F)(F)F)nn2)CC1 ZINC000220693752 350182237 /nfs/dbraw/zinc/18/22/37/350182237.db2.gz OMDDOUMRSUCFMR-UHFFFAOYSA-N 0 0 213.162 2.051 10 30 BEEERN COc1ccc(Br)c(/C=N/O)c1 ZINC000100329721 191063068 /nfs/dbraw/zinc/06/30/68/191063068.db2.gz NYBCQTSQRQNYCN-BJMVGYQFSA-N 0 0 230.061 2.266 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1ccc(O)cc1 ZINC000149248907 538071411 /nfs/dbraw/zinc/07/14/11/538071411.db2.gz JUTKZNBLFLOQKR-UHFFFAOYSA-N 0 0 218.252 2.085 10 30 BEEERN Cc1nn(-c2cccc(F)c2)cc1C#N ZINC000096937942 180328363 /nfs/dbraw/zinc/32/83/63/180328363.db2.gz CFTCYODJJZDVEX-UHFFFAOYSA-N 0 0 201.204 2.192 10 30 BEEERN Cc1nn(CCC[C@](C)(N)C#N)c(C)c1Cl ZINC000050588019 180387596 /nfs/dbraw/zinc/38/75/96/180387596.db2.gz HXEGQZHCUPSSIG-NSHDSACASA-N 0 0 240.738 2.175 10 30 BEEERN Cc1nnc(C)n1/N=C/c1cccc(Cl)c1 ZINC000003027062 180398806 /nfs/dbraw/zinc/39/88/06/180398806.db2.gz RVTZUZCNYHXSFP-NTUHNPAUSA-N 0 0 234.690 2.431 10 30 BEEERN Cc1nnc(N[C@H](C)C2CC2)c(C#N)c1C ZINC000040217710 180436465 /nfs/dbraw/zinc/43/64/65/180436465.db2.gz IDZRPAKWDZDEKT-SECBINFHSA-N 0 0 216.288 2.176 10 30 BEEERN CC(C)[N@@H+]1CCOC[C@@H](c2cccc(C#N)c2)C1 ZINC000616596894 350638405 /nfs/dbraw/zinc/63/84/05/350638405.db2.gz DONRDZAAHARQJG-HNNXBMFYSA-N 0 0 244.338 2.382 10 30 BEEERN N#Cc1cc(F)ccc1N1CCC[C@@H]1CCCO ZINC000104251847 187459820 /nfs/dbraw/zinc/45/98/20/187459820.db2.gz RBDLLHHODLYUCS-CYBMUJFWSA-N 0 0 248.301 2.439 10 30 BEEERN N#C[C@]1(CC=C(Cl)Cl)CCCN1 ZINC000403328056 350706387 /nfs/dbraw/zinc/70/63/87/350706387.db2.gz DVQOFAOOBBXMOC-MRVPVSSYSA-N 0 0 205.088 2.341 10 30 BEEERN CC(C)=CCC[C@]1(C)O[C@H]1COC(C)=O ZINC000104836005 191122322 /nfs/dbraw/zinc/12/23/22/191122322.db2.gz HUUKHKAFVDAFIX-RYUDHWBXSA-N 0 0 212.289 2.453 10 30 BEEERN COC(=O)N1CCC[C@H]1c1ccc(C#N)cc1 ZINC000616607491 350801023 /nfs/dbraw/zinc/80/10/23/350801023.db2.gz SWRDOIBGWMNFKB-LBPRGKRZSA-N 0 0 230.267 2.462 10 30 BEEERN Cc1sc2ncnc(CC#N)c2c1C ZINC000063046431 350813778 /nfs/dbraw/zinc/81/37/78/350813778.db2.gz UORRQSPEKYYULV-UHFFFAOYSA-N 0 0 203.270 2.374 10 30 BEEERN O=C[C@]1([C@@H]2CCCCC[C@H]2O)CCCS1 ZINC000306731732 350901863 /nfs/dbraw/zinc/90/18/63/350901863.db2.gz QYSSGCRPZWDGIU-UTUOFQBUSA-N 0 0 228.357 2.392 10 30 BEEERN Cc1cccc(C[C@@]2(C=O)CCOC2)c1 ZINC000306734644 350904105 /nfs/dbraw/zinc/90/41/05/350904105.db2.gz VCYYYYQKXBCJQD-CYBMUJFWSA-N 0 0 204.269 2.143 10 30 BEEERN C[C@H]1CCCC[C@@]1(C)NC(=O)CS ZINC000306757713 350970385 /nfs/dbraw/zinc/97/03/85/350970385.db2.gz SQGUHEKLTABXJN-WCBMZHEXSA-N 0 0 201.335 2.001 10 30 BEEERN C#Cc1cn2cccc(Br)c2n1 ZINC000159735610 350990228 /nfs/dbraw/zinc/99/02/28/350990228.db2.gz BVUMEPHDVWCLNR-UHFFFAOYSA-N 0 0 221.057 2.078 10 30 BEEERN Cc1ncc(CN[C@H]2CCCC[C@H]2C#N)o1 ZINC000397939548 350993965 /nfs/dbraw/zinc/99/39/65/350993965.db2.gz ZAIJTTYHQUCHIF-JQWIXIFHSA-N 0 0 219.288 2.155 10 30 BEEERN Cc1ncc(CN[C@@H]2CCCC[C@H]2C#N)o1 ZINC000397939547 350993985 /nfs/dbraw/zinc/99/39/85/350993985.db2.gz ZAIJTTYHQUCHIF-CMPLNLGQSA-N 0 0 219.288 2.155 10 30 BEEERN C=C[C@H](C)n1cc(Br)cn1 ZINC000052144512 350955119 /nfs/dbraw/zinc/95/51/19/350955119.db2.gz WGZINCWZHPNWDD-LURJTMIESA-N 0 0 201.067 2.393 10 30 BEEERN C[C@H](N[C@H]1CCCC[C@H]1C#N)c1csnn1 ZINC000398226836 351016121 /nfs/dbraw/zinc/01/61/21/351016121.db2.gz FWDFCPDHDJGAPN-GUBZILKMSA-N 0 0 236.344 2.271 10 30 BEEERN N/C(=N/O)Nc1cccc2ccsc21 ZINC000306790728 351041679 /nfs/dbraw/zinc/04/16/79/351041679.db2.gz WGFKLMVIUWWXBL-UHFFFAOYSA-N 0 0 207.258 2.017 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)N(CC#N)c2ccccc2)O1 ZINC000177694517 366020233 /nfs/dbraw/zinc/02/02/33/366020233.db2.gz DUDZMUPJPSPAEM-AAEUAGOBSA-N 0 0 244.294 2.111 10 30 BEEERN Cc1cnn(C)c1C1=CC(=O)C[C@H](C)C1 ZINC000306806710 351059234 /nfs/dbraw/zinc/05/92/34/351059234.db2.gz KQKGADLNXIHZAG-MRVPVSSYSA-N 0 0 204.273 2.111 10 30 BEEERN CO[C@@H]1CCCC[C@@]12CC[C@](C)(C=O)O2 ZINC000306808592 351061318 /nfs/dbraw/zinc/06/13/18/351061318.db2.gz PODABDMBHCWMPA-IJLUTSLNSA-N 0 0 212.289 2.082 10 30 BEEERN COC(=O)c1cc(C#N)cc(Cl)c1C ZINC000306773141 351010641 /nfs/dbraw/zinc/01/06/41/351010641.db2.gz UAHZSODDYUFWJC-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C=CC1CCN(Cc2nnc(C(C)C)n2C)CC1 ZINC000111256341 191130339 /nfs/dbraw/zinc/13/03/39/191130339.db2.gz WCUHPLYNXXTFQA-UHFFFAOYSA-N 0 0 248.374 2.337 10 30 BEEERN N#Cc1ccccc1[C@@H]1CCCN(C(N)=O)CC1 ZINC000616627976 351096664 /nfs/dbraw/zinc/09/66/64/351096664.db2.gz MFIFDLJFHIUHDJ-LLVKDONJSA-N 0 0 243.310 2.206 10 30 BEEERN Cc1cc(N(C)[C@@H](C)CC#N)nc(Cl)n1 ZINC000063097677 351140314 /nfs/dbraw/zinc/14/03/14/351140314.db2.gz ALWMKNSTCQQLJY-QMMMGPOBSA-N 0 0 224.695 2.177 10 30 BEEERN COC(=O)c1cc(Cl)cc(C#N)c1C ZINC000306914231 351327496 /nfs/dbraw/zinc/32/74/96/351327496.db2.gz QYGLWDOQUOYOEL-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN CCCCCCCOCC[C@H](N)C(=O)OCC ZINC000103785916 168655706 /nfs/dbraw/zinc/65/57/06/168655706.db2.gz GEAHJBBINDAGIQ-LBPRGKRZSA-N 0 0 245.363 2.254 10 30 BEEERN N#Cc1ccc(Br)c([N+](=O)[O-])c1F ZINC000307022665 351426866 /nfs/dbraw/zinc/42/68/66/351426866.db2.gz GVYYMPHJGRKOCT-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN Cc1cc(OCC=O)c(C)c(C)c1C#N ZINC000307071509 351465569 /nfs/dbraw/zinc/46/55/69/351465569.db2.gz GQOYRRTZZWRTPG-UHFFFAOYSA-N 0 0 203.241 2.061 10 30 BEEERN N#Cc1cncc(OC(F)F)c1Br ZINC000307038095 351436282 /nfs/dbraw/zinc/43/62/82/351436282.db2.gz GUGBLQUTZVIUJS-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN N#Cc1c(F)cc(F)cc1OC(F)F ZINC000307039160 351437167 /nfs/dbraw/zinc/43/71/67/351437167.db2.gz IRTKFLDDZLDDRA-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN N#Cc1ccc(OC(F)F)c(Br)n1 ZINC000307041718 351443838 /nfs/dbraw/zinc/44/38/38/351443838.db2.gz PWEZCYMYPQWCDW-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN CCn1ccnc1C1=CC(=O)C[C@H](C)C1 ZINC000307055766 351455824 /nfs/dbraw/zinc/45/58/24/351455824.db2.gz ZNGZAYZJIXZYOE-SECBINFHSA-N 0 0 204.273 2.285 10 30 BEEERN C=C[C@@H](C)n1ccc(Br)n1 ZINC000307058651 351458225 /nfs/dbraw/zinc/45/82/25/351458225.db2.gz BULVKWJXPIXTPZ-ZCFIWIBFSA-N 0 0 201.067 2.393 10 30 BEEERN N#Cc1ccc(Br)c(OC(F)F)n1 ZINC000307133854 351493431 /nfs/dbraw/zinc/49/34/31/351493431.db2.gz YWOOLQPJFKATRA-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN Cc1ncc([C@H]2OCCC[C@H]2C#N)s1 ZINC000307198576 351599767 /nfs/dbraw/zinc/59/97/67/351599767.db2.gz VMOVGCHDYJCRAI-WPRPVWTQSA-N 0 0 208.286 2.443 10 30 BEEERN CN1CCN([C@H]2C=CCCCCC2)C[C@@H]1C#N ZINC000606432933 351745462 /nfs/dbraw/zinc/74/54/62/351745462.db2.gz SMIOSJVGBJETND-KBPBESRZSA-N 0 0 233.359 2.015 10 30 BEEERN CN1CCN([C@@H]2C=CCCCCC2)C[C@H]1C#N ZINC000606432936 351745611 /nfs/dbraw/zinc/74/56/11/351745611.db2.gz SMIOSJVGBJETND-ZIAGYGMSSA-N 0 0 233.359 2.015 10 30 BEEERN CC1CC(=Nn2cc(Br)cn2)C1 ZINC000307249990 351757599 /nfs/dbraw/zinc/75/75/99/351757599.db2.gz PCXBJAQQJNTEPW-UHFFFAOYSA-N 0 0 228.093 2.280 10 30 BEEERN N#Cc1cc(F)c(OC(F)F)c(F)c1 ZINC000307272861 351826757 /nfs/dbraw/zinc/82/67/57/351826757.db2.gz GJTJKDBCZINPGB-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN N#Cc1nc(Br)ccc1OC(F)F ZINC000307274498 351830352 /nfs/dbraw/zinc/83/03/52/351830352.db2.gz ZJKDEXQQNIFHKG-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN O=C(C#CBr)Nc1ccc(F)cc1 ZINC000307264574 351811718 /nfs/dbraw/zinc/81/17/18/351811718.db2.gz CIRQZZZWXIAFLR-UHFFFAOYSA-N 0 0 242.047 2.120 10 30 BEEERN C[C@H](C#N)S(=O)(=O)c1cccc(Cl)c1 ZINC000054185731 351919196 /nfs/dbraw/zinc/91/91/96/351919196.db2.gz AZNPVBFAQSYDRI-SSDOTTSWSA-N 0 0 229.688 2.026 10 30 BEEERN C[C@@]1(O)CC(=O)C=C(c2cc(F)ccc2F)C1 ZINC000040174902 351930301 /nfs/dbraw/zinc/93/03/01/351930301.db2.gz HBKNMXMWMKVOMB-ZDUSSCGKSA-N 0 0 238.233 2.462 10 30 BEEERN C#CCNC(=O)/C(C)=C(\C)c1ccc(F)cc1 ZINC000001567557 187538229 /nfs/dbraw/zinc/53/82/29/187538229.db2.gz CJRRJXTZRXMUPC-ZHACJKMWSA-N 0 0 231.270 2.369 10 30 BEEERN N#Cc1cncc2[nH]cc(Br)c21 ZINC000044713251 352384372 /nfs/dbraw/zinc/38/43/72/352384372.db2.gz JPYHIKVSUAECOO-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN CC[C@H](C#N)C(=O)NCC1CCCCC1 ZINC000044822519 352434363 /nfs/dbraw/zinc/43/43/63/352434363.db2.gz FYPROUCTQWIMPF-LLVKDONJSA-N 0 0 208.305 2.233 10 30 BEEERN CC[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000044825339 352442641 /nfs/dbraw/zinc/44/26/41/352442641.db2.gz KATAWVIAWJPSQU-UWVGGRQHSA-N 0 0 220.272 2.315 10 30 BEEERN Cn1ccnc1Sc1ccccc1C#N ZINC000020077545 180754884 /nfs/dbraw/zinc/75/48/84/180754884.db2.gz CRXJRNBPXSYXPB-UHFFFAOYSA-N 0 0 215.281 2.443 10 30 BEEERN C=CCn1c(C)c(Cl)nc(Cl)c1=O ZINC000039149926 352586470 /nfs/dbraw/zinc/58/64/70/352586470.db2.gz VQGUQAGNLWBFLO-UHFFFAOYSA-N 0 0 219.071 2.045 10 30 BEEERN Cc1cc(Br)ccc1C#CCO ZINC000039711882 352593406 /nfs/dbraw/zinc/59/34/06/352593406.db2.gz WXIANMVWUXRAMN-UHFFFAOYSA-N 0 0 225.085 2.101 10 30 BEEERN O=C[C@H]1CC[C@H](c2ccc(F)c(F)c2)O1 ZINC000307407411 352581687 /nfs/dbraw/zinc/58/16/87/352581687.db2.gz CKVHOZGPBBNPGV-LDYMZIIASA-N 0 0 212.195 2.384 10 30 BEEERN CN[C@@H](C#N)c1cccc(Br)c1F ZINC000307554481 352648605 /nfs/dbraw/zinc/64/86/05/352648605.db2.gz WXPNWYYQSPUGLZ-QMMMGPOBSA-N 0 0 243.079 2.372 10 30 BEEERN N#Cc1cccc([C@@H](C#N)NCC2CC2)c1 ZINC000037946796 187771761 /nfs/dbraw/zinc/77/17/61/187771761.db2.gz RBKSEEBVQLMWOU-CYBMUJFWSA-N 0 0 211.268 2.123 10 30 BEEERN C[C@H](C#N)CNc1nc(Br)cs1 ZINC000307582217 352659795 /nfs/dbraw/zinc/65/97/95/352659795.db2.gz UJNHMXJRNKBSPL-RXMQYKEDSA-N 0 0 246.133 2.477 10 30 BEEERN CC(C)[C@H](C#N)C(=O)N(C)c1ccccc1 ZINC000044808868 187779414 /nfs/dbraw/zinc/77/94/14/187779414.db2.gz JPMLINOACVHMCC-LBPRGKRZSA-N 0 0 216.284 2.445 10 30 BEEERN N#Cc1c(F)cc([N+](=O)[O-])cc1Br ZINC000307519201 352633544 /nfs/dbraw/zinc/63/35/44/352633544.db2.gz VYXSPESVIPEVIZ-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN CCC[C@@H](C#N)C(=O)N1CCCC[C@@H]1C ZINC000044808704 187806520 /nfs/dbraw/zinc/80/65/20/187806520.db2.gz IQUNIIJWNFVQRH-QWRGUYRKSA-N 0 0 208.305 2.327 10 30 BEEERN C[C@@]1(Cc2ccccc2)CC[C@@H](C=O)O1 ZINC000307680637 352756500 /nfs/dbraw/zinc/75/65/00/352756500.db2.gz OTFWZHZVFRDELI-STQMWFEESA-N 0 0 204.269 2.366 10 30 BEEERN C/C=C/CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000125344703 187870794 /nfs/dbraw/zinc/87/07/94/187870794.db2.gz AWIVPKSSNMNUGS-NSCUHMNNSA-N 0 0 232.243 2.240 10 30 BEEERN C=C1CC[C@@H](C)[C@H]2[C@H]1CC[C@](C)(O)[C@H]2O ZINC000098214442 187873181 /nfs/dbraw/zinc/87/31/81/187873181.db2.gz PSJNXABIYVELKB-MOLYVOAJSA-N 0 0 210.317 2.111 10 30 BEEERN C#Cc1cccc(NCCn2ccnc2C)c1 ZINC000049329661 187869285 /nfs/dbraw/zinc/86/92/85/187869285.db2.gz OSCBCUGJOUQILS-UHFFFAOYSA-N 0 0 225.295 2.285 10 30 BEEERN C=CC[N@H+]1C[C@@H](C(=O)[O-])C2(C1)CCCCC2 ZINC000008698601 166359322 /nfs/dbraw/zinc/35/93/22/166359322.db2.gz VPZLVUUDUUAHOP-NSHDSACASA-N 0 0 223.316 2.139 10 30 BEEERN Cc1ccnc(C(=O)C2=COCCC2)c1 ZINC000160013553 352981843 /nfs/dbraw/zinc/98/18/43/352981843.db2.gz ZKQXYKYVKKSHEX-UHFFFAOYSA-N 0 0 203.241 2.267 10 30 BEEERN CC1(C)CC(C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000334465333 353115280 /nfs/dbraw/zinc/11/52/80/353115280.db2.gz CJFWSTGHIZYEAJ-ONGXEEELSA-N 0 0 220.316 2.231 10 30 BEEERN CC1(C)CC(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000334465324 353115379 /nfs/dbraw/zinc/11/53/79/353115379.db2.gz CJFWSTGHIZYEAJ-GXSJLCMTSA-N 0 0 220.316 2.231 10 30 BEEERN N#Cc1c(Br)ccnc1OC(F)F ZINC000307669395 353091498 /nfs/dbraw/zinc/09/14/98/353091498.db2.gz NEKKCTNMVIQYOV-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN Cc1cnc([C@H](C)NC(=O)C[C@@H]2CCOC2)o1 ZINC000329471979 538109041 /nfs/dbraw/zinc/10/90/41/538109041.db2.gz ZYRUYYQTSDQBDN-UWVGGRQHSA-N 0 0 238.287 2.427 10 30 BEEERN C=C(C(=O)OC)[C@@H](O)c1ccc(SC)cc1 ZINC000019835893 188059253 /nfs/dbraw/zinc/05/92/53/188059253.db2.gz NECXPIQVETWPJE-LLVKDONJSA-N 0 0 238.308 2.171 10 30 BEEERN C[C@H]1C[N@H+](CC2(CC#N)CC2)CCS1 ZINC000123384683 353153184 /nfs/dbraw/zinc/15/31/84/353153184.db2.gz MKQHFZBJYLOELU-JTQLQIEISA-N 0 0 210.346 2.118 10 30 BEEERN Cc1csc(C(=NN)NC(C)C)c1Cl ZINC000232667404 353156092 /nfs/dbraw/zinc/15/60/92/353156092.db2.gz JZQJYMHISJEMCT-UHFFFAOYSA-N 0 0 231.752 2.328 10 30 BEEERN C=CCNC(=O)CNc1ccc(C)c(C)c1 ZINC000032013304 166369580 /nfs/dbraw/zinc/36/95/80/166369580.db2.gz UONQNOKLBKXRJP-UHFFFAOYSA-N 0 0 218.300 2.018 10 30 BEEERN C#C[C@](C)(O)c1ccccc1Br ZINC000083052614 188097800 /nfs/dbraw/zinc/09/78/00/188097800.db2.gz QFPIIHGBCPTSMN-JTQLQIEISA-N 0 0 225.085 2.290 10 30 BEEERN CC(C)(C)[S@](=O)/N=C\C(F)(F)F ZINC000034892604 188100198 /nfs/dbraw/zinc/10/01/98/188100198.db2.gz PLTNZADFUQGXSR-GFSSTFBJSA-N 0 0 201.213 2.082 10 30 BEEERN N#CC(C#N)=c1[nH]c2cccc3cccc1c23 ZINC000003189389 188100611 /nfs/dbraw/zinc/10/06/11/188100611.db2.gz VSPPAHXSTYFAGO-UHFFFAOYSA-N 0 0 217.231 2.238 10 30 BEEERN ON=C1CCN(Cc2ccccc2F)CC1 ZINC000019436690 188107817 /nfs/dbraw/zinc/10/78/17/188107817.db2.gz ZXHNYPGROHTQDH-UHFFFAOYSA-N 0 0 222.263 2.252 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@]12C[C@H](C)[C@H]2C ZINC000309012365 538110112 /nfs/dbraw/zinc/11/01/12/538110112.db2.gz XSQRNXQUWJROSV-QCMRWSPLSA-N 0 0 212.289 2.143 10 30 BEEERN N#Cc1cccc(-c2ccc(Cl)nn2)n1 ZINC000072204219 188115151 /nfs/dbraw/zinc/11/51/51/188115151.db2.gz ISRUKWFGVWPMKQ-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#C[C@]1(NC2CCCCC2)CCSC1 ZINC000037969256 188115781 /nfs/dbraw/zinc/11/57/81/188115781.db2.gz AAAGOCHRGOGTBE-LLVKDONJSA-N 0 0 210.346 2.308 10 30 BEEERN N#C[C@@H](NCC1CC1)c1ccc2c(c1)OCCO2 ZINC000037946956 188116165 /nfs/dbraw/zinc/11/61/65/188116165.db2.gz XEPJFPBXRNOFJS-GFCCVEGCSA-N 0 0 244.294 2.022 10 30 BEEERN N#C[C@@H](NCC1CC1)c1ccc2c(c1)CCO2 ZINC000037946984 188116290 /nfs/dbraw/zinc/11/62/90/188116290.db2.gz MTHKMFCSZDBTMK-CYBMUJFWSA-N 0 0 228.295 2.186 10 30 BEEERN C=C(C)C[C@@H](C=O)NC(=O)OC(C)(C)C ZINC000013588583 188105922 /nfs/dbraw/zinc/10/59/22/188105922.db2.gz RVOIREFTVREURB-VIFPVBQESA-N 0 0 213.277 2.045 10 30 BEEERN Cc1oncc1C(=O)Nc1ccc(C#N)cc1 ZINC000014204471 188106254 /nfs/dbraw/zinc/10/62/54/188106254.db2.gz LAXQCXCWUSHHBG-UHFFFAOYSA-N 0 0 227.223 2.107 10 30 BEEERN COc1ccc([C@H](C#N)C=O)cc1Cl ZINC000049814649 188125826 /nfs/dbraw/zinc/12/58/26/188125826.db2.gz DZODYVDKJFXKTE-MRVPVSSYSA-N 0 0 209.632 2.155 10 30 BEEERN N#C[C@]1(NC2CCCC2)CCCSC1 ZINC000061590452 188128263 /nfs/dbraw/zinc/12/82/63/188128263.db2.gz QDWFOHDMPOYCID-LLVKDONJSA-N 0 0 210.346 2.308 10 30 BEEERN COc1cccc(C#Cc2ccncc2)c1 ZINC000090548567 188129441 /nfs/dbraw/zinc/12/94/41/188129441.db2.gz MSYMFWVACZNBID-UHFFFAOYSA-N 0 0 209.248 2.490 10 30 BEEERN N#CCCOCC(F)(F)C(F)(F)F ZINC000072265864 188131832 /nfs/dbraw/zinc/13/18/32/188131832.db2.gz YLNJNVLPRYTVNI-UHFFFAOYSA-N 0 0 203.110 2.114 10 30 BEEERN C/C(=N\O)c1ccccc1OC[C@@H]1CCOC1 ZINC000103387639 188160812 /nfs/dbraw/zinc/16/08/12/188160812.db2.gz QZXLYUKFDQDTLV-ZTMOJVSCSA-N 0 0 235.283 2.300 10 30 BEEERN CCC#CCOCC(=O)Nc1ccccc1 ZINC000007991698 188161184 /nfs/dbraw/zinc/16/11/84/188161184.db2.gz GOTDFSXZIGCZJJ-UHFFFAOYSA-N 0 0 217.268 2.055 10 30 BEEERN Cc1nc(N)sc1/C(=N\O)c1ccccc1 ZINC000100336941 188149518 /nfs/dbraw/zinc/14/95/18/188149518.db2.gz CLUORPRBQKIGOM-ZROIWOOFSA-N 0 0 233.296 2.260 10 30 BEEERN N#CCCCNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000054137945 188176319 /nfs/dbraw/zinc/17/63/19/188176319.db2.gz ZAUUZVZLNOPMKQ-QJPTWQEYSA-N 0 0 220.316 2.233 10 30 BEEERN C=CCCC(=O)Nc1cc(N)ccc1F ZINC000054400781 188177520 /nfs/dbraw/zinc/17/75/20/188177520.db2.gz MIOKYWBDBPPMCY-UHFFFAOYSA-N 0 0 208.236 2.313 10 30 BEEERN C#CC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000160708743 353268315 /nfs/dbraw/zinc/26/83/15/353268315.db2.gz UZYIXSTYUHKDRY-MRVPVSSYSA-N 0 0 208.644 2.310 10 30 BEEERN C=CCn1cnc(-c2cccc(OC)c2)c1N ZINC000103499421 188224775 /nfs/dbraw/zinc/22/47/75/188224775.db2.gz ZPPPSNODPXAILM-UHFFFAOYSA-N 0 0 229.283 2.327 10 30 BEEERN C#CCn1cnc(-c2cccc(OCC)c2)c1N ZINC000103500538 188224862 /nfs/dbraw/zinc/22/48/62/188224862.db2.gz XVAGQRYWXVNGPK-UHFFFAOYSA-N 0 0 241.294 2.164 10 30 BEEERN C#Cc1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076033897 353331259 /nfs/dbraw/zinc/33/12/59/353331259.db2.gz DCHRHSYAHHJRFG-CABZTGNLSA-N 0 0 214.268 2.198 10 30 BEEERN CCCN(CC#N)C(=O)c1[nH]c(C)cc1C ZINC000130132811 353340145 /nfs/dbraw/zinc/34/01/45/353340145.db2.gz VCFKJLODEJXLKO-UHFFFAOYSA-N 0 0 219.288 2.007 10 30 BEEERN C=C=CC(=O)c1ncccc1Br ZINC000133061116 353396442 /nfs/dbraw/zinc/39/64/42/353396442.db2.gz AEDLWVXNGPXJET-UHFFFAOYSA-N 0 0 224.057 2.050 10 30 BEEERN COC(=O)C#Cc1cccc(F)c1Cl ZINC000165534493 353375310 /nfs/dbraw/zinc/37/53/10/353375310.db2.gz SDRVDRRVQFVCRP-UHFFFAOYSA-N 0 0 212.607 2.004 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000131946875 353375846 /nfs/dbraw/zinc/37/58/46/353375846.db2.gz DAMYEUHVSJBTNE-LLVKDONJSA-N 0 0 247.342 2.254 10 30 BEEERN CCO/C=C(\C)C(=O)c1ccc(F)cn1 ZINC000308742916 538117344 /nfs/dbraw/zinc/11/73/44/538117344.db2.gz ZQDZZVDOEDAMOL-BQYQJAHWSA-N 0 0 209.220 2.344 10 30 BEEERN C=CCCCN(C)C(=O)CC[C@H]1CCCO1 ZINC000135082401 353528184 /nfs/dbraw/zinc/52/81/84/353528184.db2.gz SWTPPDGLEMJYEI-GFCCVEGCSA-N 0 0 225.332 2.370 10 30 BEEERN C=CCCCN(C)C(=O)c1cc(C(C)=O)cn1C ZINC000135078189 353528360 /nfs/dbraw/zinc/52/83/60/353528360.db2.gz OZVBYHVXQKTNKT-UHFFFAOYSA-N 0 0 248.326 2.266 10 30 BEEERN C#CCOc1cc(N)ccc1Br ZINC000230799075 353530689 /nfs/dbraw/zinc/53/06/89/353530689.db2.gz GXFQVLNGTHGKIK-UHFFFAOYSA-N 0 0 226.073 2.043 10 30 BEEERN C#CCCCC(=O)N[C@H]1COc2ccccc21 ZINC000192098062 353542118 /nfs/dbraw/zinc/54/21/18/353542118.db2.gz UWTHSZLHGMBQBK-LBPRGKRZSA-N 0 0 229.279 2.040 10 30 BEEERN CC[C@H](CC#N)NC(=O)C[C@H](C)C(C)C ZINC000183909267 353590414 /nfs/dbraw/zinc/59/04/14/353590414.db2.gz ALYMXVIXLCGJKG-WDEREUQCSA-N 0 0 210.321 2.477 10 30 BEEERN C=CCNC(=O)[C@@H](C)Sc1ccc(N)cc1 ZINC000016971939 166384851 /nfs/dbraw/zinc/38/48/51/166384851.db2.gz XNMOYSSJQZIVEU-SECBINFHSA-N 0 0 236.340 2.052 10 30 BEEERN CC(C)(C)n1cc(C#N)c2cc(C=O)cnc21 ZINC000039947110 188473812 /nfs/dbraw/zinc/47/38/12/188473812.db2.gz OTBGTILLAONBGQ-UHFFFAOYSA-N 0 0 227.267 2.475 10 30 BEEERN COc1ccc(OC)c([C@@H]2CCCN2CC#N)c1 ZINC000053401891 363246067 /nfs/dbraw/zinc/24/60/67/363246067.db2.gz JAVQLFFCISRPQO-ZDUSSCGKSA-N 0 0 246.310 2.364 10 30 BEEERN CC(C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232715849 353761111 /nfs/dbraw/zinc/76/11/11/353761111.db2.gz JGDOTGCKQGMWAC-QMMMGPOBSA-N 0 0 234.259 2.318 10 30 BEEERN C#CCC(C)(C)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185394344 353802738 /nfs/dbraw/zinc/80/27/38/353802738.db2.gz FUWJQPVIYYMKLZ-STQMWFEESA-N 0 0 249.354 2.206 10 30 BEEERN NC(=S)NN=Cc1c(O)ccc2ccccc21 ZINC000001905557 353831817 /nfs/dbraw/zinc/83/18/17/353831817.db2.gz INVDVNVYLCEPSF-UHFFFAOYSA-N 0 0 245.307 2.333 10 30 BEEERN CCC[C@H](C#N)C(=O)NCC1CCCC1 ZINC000044822510 188507600 /nfs/dbraw/zinc/50/76/00/188507600.db2.gz HDAMUTCLOLFGTB-LLVKDONJSA-N 0 0 208.305 2.233 10 30 BEEERN COc1ccccc1NC(=O)[C@@H](C)CC#N ZINC000049816594 188508678 /nfs/dbraw/zinc/50/86/78/188508678.db2.gz KJEHTSQBXKWBPP-VIFPVBQESA-N 0 0 218.256 2.183 10 30 BEEERN N#CC1(NC(=O)c2ccc(Cl)o2)CCCC1 ZINC000122016066 181030701 /nfs/dbraw/zinc/03/07/01/181030701.db2.gz PLIQYZQUHWYQDS-UHFFFAOYSA-N 0 0 238.674 2.499 10 30 BEEERN N#CC1(NC(=O)c2ccsc2)CCCC1 ZINC000040216357 181030915 /nfs/dbraw/zinc/03/09/15/181030915.db2.gz ITALGICKAAPWJL-UHFFFAOYSA-N 0 0 220.297 2.314 10 30 BEEERN N#CC1(c2cncc(Br)c2)CC1 ZINC000091690841 181031798 /nfs/dbraw/zinc/03/17/98/181031798.db2.gz IQQZIJPWEAFLNT-UHFFFAOYSA-N 0 0 223.073 2.399 10 30 BEEERN N#CC(Cl)(Cl)[C@@H](O)c1ccco1 ZINC000104834214 181027989 /nfs/dbraw/zinc/02/79/89/181027989.db2.gz RDJZMVDZRXXBFV-LURJTMIESA-N 0 0 206.028 2.010 10 30 BEEERN N#CC1(C(=O)NC2CC2)CCCCCC1 ZINC000044764546 181028483 /nfs/dbraw/zinc/02/84/83/181028483.db2.gz DGJUEGKAHRIPBV-UHFFFAOYSA-N 0 0 206.289 2.129 10 30 BEEERN N#CC1(NC(=O)c2ccn[nH]2)CCCCCCC1 ZINC000058003522 181029961 /nfs/dbraw/zinc/02/99/61/181029961.db2.gz RYQOFDRLFLSCAI-UHFFFAOYSA-N 0 0 246.314 2.146 10 30 BEEERN N#CCC(=O)Nc1cccc(Cl)c1F ZINC000020472634 181034073 /nfs/dbraw/zinc/03/40/73/181034073.db2.gz VCDKMSMCUTVRFG-UHFFFAOYSA-N 0 0 212.611 2.331 10 30 BEEERN N#CCC(=O)Nc1cc(Cl)ccc1C#N ZINC000083350186 181034266 /nfs/dbraw/zinc/03/42/66/181034266.db2.gz SHTAPWFLHJQYTO-UHFFFAOYSA-N 0 0 219.631 2.064 10 30 BEEERN N#CCCN(C1CC1)[C@@H]1CCCC[C@H]1C#N ZINC000042531179 181036997 /nfs/dbraw/zinc/03/69/97/181036997.db2.gz YBNIEGSKWHLRSO-WCQYABFASA-N 0 0 217.316 2.447 10 30 BEEERN N#CCCN(C1CC1)[C@@H]1CCCC[C@@H]1C#N ZINC000042531181 181037115 /nfs/dbraw/zinc/03/71/15/181037115.db2.gz YBNIEGSKWHLRSO-DGCLKSJQSA-N 0 0 217.316 2.447 10 30 BEEERN N#CCCN(CC(=O)Nc1ccccc1)C1CC1 ZINC000042359772 181037151 /nfs/dbraw/zinc/03/71/51/181037151.db2.gz PYGUSPZUAMMTHS-UHFFFAOYSA-N 0 0 243.310 2.003 10 30 BEEERN N#CCCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2)C1CC1 ZINC000042359096 181037160 /nfs/dbraw/zinc/03/71/60/181037160.db2.gz JCUCHNCITINYGX-DMDPSCGWSA-N 0 0 232.327 2.327 10 30 BEEERN N#CC[C@@H](c1ccccc1)N1CCCC[C@@H]1CO ZINC000055019812 181044901 /nfs/dbraw/zinc/04/49/01/181044901.db2.gz YIZJKDJKMYQQOR-CABCVRRESA-N 0 0 244.338 2.488 10 30 BEEERN N#CC[C@@H](NC[C@H]1CCCO1)c1ccccc1 ZINC000055015812 181044983 /nfs/dbraw/zinc/04/49/83/181044983.db2.gz MWKNGRJYOADZTQ-ZIAGYGMSSA-N 0 0 230.311 2.410 10 30 BEEERN N#CC[C@@H](NCCn1ccnc1)c1ccccc1 ZINC000055017829 181045066 /nfs/dbraw/zinc/04/50/66/181045066.db2.gz YFQATYOSQYTFHG-CQSZACIVSA-N 0 0 240.310 2.128 10 30 BEEERN C[C@@H](CC#N)C(=O)c1ccc(N(C)C)cc1 ZINC000033426647 188539261 /nfs/dbraw/zinc/53/92/61/188539261.db2.gz GVCKFASBPKAHAG-JTQLQIEISA-N 0 0 216.284 2.485 10 30 BEEERN N#CC[C@H](N[C@@H]1CCCOC1)c1ccccc1 ZINC000103954943 181046196 /nfs/dbraw/zinc/04/61/96/181046196.db2.gz JNQKAQHYZTVUPY-KGLIPLIRSA-N 0 0 230.311 2.410 10 30 BEEERN N#CCc1cnc2c(Cl)cc(F)cn12 ZINC000082694244 188536321 /nfs/dbraw/zinc/53/63/21/188536321.db2.gz XGXJQLSCCPJTNK-UHFFFAOYSA-N 0 0 209.611 2.193 10 30 BEEERN N#CCc1nc(Cc2cccc(Cl)c2)no1 ZINC000073641219 181049443 /nfs/dbraw/zinc/04/94/43/181049443.db2.gz PSGRZNWZWQNZJZ-UHFFFAOYSA-N 0 0 233.658 2.380 10 30 BEEERN N#CCc1nc(-c2ccccc2N)cs1 ZINC000040887302 181049617 /nfs/dbraw/zinc/04/96/17/181049617.db2.gz RZWRPGKLZAZNCH-UHFFFAOYSA-N 0 0 215.281 2.458 10 30 BEEERN N#CCc1noc(CSc2ccccc2)n1 ZINC000073641475 181050339 /nfs/dbraw/zinc/05/03/39/181050339.db2.gz GSUQOZAYSOJQLN-UHFFFAOYSA-N 0 0 231.280 2.428 10 30 BEEERN N#CCc1noc(CCC2CCCC2)n1 ZINC000073641319 181050342 /nfs/dbraw/zinc/05/03/42/181050342.db2.gz RJHHJYWFVIHPID-UHFFFAOYSA-N 0 0 205.261 2.258 10 30 BEEERN N#CCc1noc(Cc2cccc(Cl)c2)n1 ZINC000073641524 181050727 /nfs/dbraw/zinc/05/07/27/181050727.db2.gz QIWCRZUHWDBCOF-UHFFFAOYSA-N 0 0 233.658 2.380 10 30 BEEERN N#CCc1noc(Cc2ccc(Cl)cc2)n1 ZINC000071543278 181050731 /nfs/dbraw/zinc/05/07/31/181050731.db2.gz OAWRPXLXOBZWCS-UHFFFAOYSA-N 0 0 233.658 2.380 10 30 BEEERN N#C[C@@H](Nc1ccccc1)[C@@H]1CCOC1 ZINC000037935291 181057558 /nfs/dbraw/zinc/05/75/58/181057558.db2.gz HPQIGAKDKOJGIG-ZYHUDNBSSA-N 0 0 202.257 2.027 10 30 BEEERN N#CN=C(Nc1ccccc1)Nc1ccncc1 ZINC000026576537 181053110 /nfs/dbraw/zinc/05/31/10/181053110.db2.gz RPHUDSZKQLPODJ-UHFFFAOYSA-N 0 0 237.266 2.252 10 30 BEEERN N#C[C@@H](CO)Cc1cc(Br)cs1 ZINC000063064190 181053979 /nfs/dbraw/zinc/05/39/79/181053979.db2.gz ITVPSWBSZJGYML-LURJTMIESA-N 0 0 246.129 2.185 10 30 BEEERN N#C[C@@H](CN1CCC2(CCCC2)CC1)NC1CC1 ZINC000062956087 181054834 /nfs/dbraw/zinc/05/48/34/181054834.db2.gz WXGRYCBYDNGGBN-AWEZNQCLSA-N 0 0 247.386 2.287 10 30 BEEERN N#C[C@@H](NCCO)c1ccc(Cl)c(Cl)c1 ZINC000053707814 181057426 /nfs/dbraw/zinc/05/74/26/181057426.db2.gz AGGOOYODMLKIRV-SNVBAGLBSA-N 0 0 245.109 2.140 10 30 BEEERN N#C[C@@H](NCc1cccs1)c1cccnc1 ZINC000037939688 181057431 /nfs/dbraw/zinc/05/74/31/181057431.db2.gz MJUIZKJALDZBAY-GFCCVEGCSA-N 0 0 229.308 2.498 10 30 BEEERN N#C[C@@H](N)COc1ccc(Cl)c(Cl)c1 ZINC000019666081 181056440 /nfs/dbraw/zinc/05/64/40/181056440.db2.gz DOKLZHVHXJZJFR-ZCFIWIBFSA-N 0 0 231.082 2.223 10 30 BEEERN N#C[C@@H](N)c1ccc(F)c(Br)c1 ZINC000022209605 181056673 /nfs/dbraw/zinc/05/66/73/181056673.db2.gz KSCCJMSARZIIMY-MRVPVSSYSA-N 0 0 229.052 2.112 10 30 BEEERN N#CCc1ccc(N[C@@H]2CCC[C@@H]2O)cc1 ZINC000051601553 181048695 /nfs/dbraw/zinc/04/86/95/181048695.db2.gz AYMSNKAZVOGNHK-OLZOCXBDSA-N 0 0 216.284 2.078 10 30 BEEERN C=CCNC(=O)[C@H](C)Nc1cc(F)ccc1F ZINC000020359312 166388420 /nfs/dbraw/zinc/38/84/20/166388420.db2.gz YEDIRGODCSEKRG-QMMMGPOBSA-N 0 0 240.253 2.067 10 30 BEEERN N#C[C@H](CCOc1ccc(F)cc1)NC1CC1 ZINC000062446594 181063798 /nfs/dbraw/zinc/06/37/98/181063798.db2.gz COAITXXUVKYDML-LBPRGKRZSA-N 0 0 234.274 2.239 10 30 BEEERN N#C[C@H](Cc1cccs1)N1CCCC1 ZINC000041215235 181063877 /nfs/dbraw/zinc/06/38/77/181063877.db2.gz OQIBBTGJNUIUFB-JTQLQIEISA-N 0 0 206.314 2.279 10 30 BEEERN N#C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000063064111 181064148 /nfs/dbraw/zinc/06/41/48/181064148.db2.gz JQFMVUIZUWFSCQ-SECBINFHSA-N 0 0 245.200 2.260 10 30 BEEERN N#C[C@H](N)COc1c(Cl)cccc1Cl ZINC000019666054 181064512 /nfs/dbraw/zinc/06/45/12/181064512.db2.gz RIBBCTNHJDHPKX-LURJTMIESA-N 0 0 231.082 2.223 10 30 BEEERN N#C[C@H](N)CCOc1ccc2c(c1)CCCC2 ZINC000019666700 181064651 /nfs/dbraw/zinc/06/46/51/181064651.db2.gz LEJFESLYIZALQU-CYBMUJFWSA-N 0 0 230.311 2.185 10 30 BEEERN N#C[C@H](N)CSc1nc2ccccc2s1 ZINC000045333667 181065230 /nfs/dbraw/zinc/06/52/30/181065230.db2.gz WYCSXPMBKLJYOE-ZETCQYMHSA-N 0 0 235.337 2.239 10 30 BEEERN N#C[C@H](NCc1cccs1)C1CCOCC1 ZINC000052178777 181065804 /nfs/dbraw/zinc/06/58/04/181065804.db2.gz HTWCJNFTKOMQJH-LBPRGKRZSA-N 0 0 236.340 2.156 10 30 BEEERN N#C[C@H](NC[C@H]1CCCO1)c1ccsc1 ZINC000037939867 181066306 /nfs/dbraw/zinc/06/63/06/181066306.db2.gz VDQMVIQKVDSMSD-MNOVXSKESA-N 0 0 222.313 2.081 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1cccs1 ZINC000061888621 181059478 /nfs/dbraw/zinc/05/94/78/181059478.db2.gz ZUOJWTJBCJDFPF-GXSJLCMTSA-N 0 0 234.324 2.099 10 30 BEEERN N#C[C@@]1(Nc2cccc(F)c2)CN2CCC1CC2 ZINC000037937121 181062562 /nfs/dbraw/zinc/06/25/62/181062562.db2.gz LXCKOHLTCNJSEI-CQSZACIVSA-N 0 0 245.301 2.226 10 30 BEEERN N#C[C@H](C(=O)[C@@H]1CCCOC1)c1ccccc1F ZINC000062236157 181062720 /nfs/dbraw/zinc/06/27/20/181062720.db2.gz CRQSPPGTRYYQBD-PWSUYJOCSA-N 0 0 247.269 2.429 10 30 BEEERN N#C[C@]1(Nc2ccccc2)CN2CCC1CC2 ZINC000037935402 181071553 /nfs/dbraw/zinc/07/15/53/181071553.db2.gz PYYPCBHVPPCIMJ-AWEZNQCLSA-N 0 0 227.311 2.086 10 30 BEEERN N#Cc1c(Cl)nsc1Br ZINC000169808663 181073652 /nfs/dbraw/zinc/07/36/52/181073652.db2.gz VPJHLHFNGCZBBE-UHFFFAOYSA-N 0 0 223.482 2.431 10 30 BEEERN N#Cc1c(Cl)nc2sc3c(n12)CCC3 ZINC000021949725 181073774 /nfs/dbraw/zinc/07/37/74/181073774.db2.gz RZUJSRXITNXFRA-UHFFFAOYSA-N 0 0 223.688 2.410 10 30 BEEERN N#C[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000011893949 181067533 /nfs/dbraw/zinc/06/75/33/181067533.db2.gz BQOZVMOOKKWGGV-SNVBAGLBSA-N 0 0 234.686 2.212 10 30 BEEERN N#C[C@H]1CCC[C@@H]1N[C@H](CO)c1ccccc1 ZINC000063002156 181068770 /nfs/dbraw/zinc/06/87/70/181068770.db2.gz IPTYXMLZACANIQ-HZSPNIEDSA-N 0 0 230.311 2.002 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccs1 ZINC000061888960 181068854 /nfs/dbraw/zinc/06/88/54/181068854.db2.gz FBSKKPBGUWKECF-BDAKNGLRSA-N 0 0 220.297 2.170 10 30 BEEERN N#Cc1c(N)cc2[nH]nc(N)c2c1-c1ccccc1 ZINC000049538664 181077223 /nfs/dbraw/zinc/07/72/23/181077223.db2.gz LMFRJXHSGGPLGI-UHFFFAOYSA-N 0 0 249.277 2.266 10 30 BEEERN N#Cc1cc(F)c(N[C@@H]2CCCOC2)c(F)c1 ZINC000113197537 181087210 /nfs/dbraw/zinc/08/72/10/181087210.db2.gz OMDZYXABOREDQZ-SECBINFHSA-N 0 0 238.237 2.427 10 30 BEEERN N#Cc1ccc(-c2ccc(F)cc2)nc1N ZINC000050871184 181095341 /nfs/dbraw/zinc/09/53/41/181095341.db2.gz YBHKSDXMLOXVMT-UHFFFAOYSA-N 0 0 213.215 2.342 10 30 BEEERN N#Cc1cc(N)cnc1NCc1cccc(F)c1 ZINC000037758920 181088942 /nfs/dbraw/zinc/08/89/42/181088942.db2.gz UOIPITTUEQIEQV-UHFFFAOYSA-N 0 0 242.257 2.287 10 30 BEEERN N#Cc1cc(N)ccc1NC[C@@H]1CCCCO1 ZINC000042814431 181089403 /nfs/dbraw/zinc/08/94/03/181089403.db2.gz CPARELINHLBNOX-LBPRGKRZSA-N 0 0 231.299 2.121 10 30 BEEERN N#Cc1cc(N)cnc1N1CCc2ccccc21 ZINC000037758803 181089669 /nfs/dbraw/zinc/08/96/69/181089669.db2.gz IZLSTZUGCVAYMX-UHFFFAOYSA-N 0 0 236.278 2.230 10 30 BEEERN N#Cc1cc(N)cnc1Nc1ccccc1F ZINC000037758996 181090501 /nfs/dbraw/zinc/09/05/01/181090501.db2.gz GBSSOGZUJAWHDS-UHFFFAOYSA-N 0 0 228.230 2.418 10 30 BEEERN N#Cc1cc(N[C@H]2CCC[C@H]2O)ccc1F ZINC000051636644 181091378 /nfs/dbraw/zinc/09/13/78/181091378.db2.gz NUTKAKDUZHIEIS-NWDGAFQWSA-N 0 0 220.247 2.023 10 30 BEEERN N#Cc1cc(N[C@@H]2CCCC[C@H]2O)ccc1F ZINC000051636421 181091594 /nfs/dbraw/zinc/09/15/94/181091594.db2.gz UJZHKJHEYJMRLU-CHWSQXEVSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1cc(NCc2cncnc2)ccc1F ZINC000054768223 181091626 /nfs/dbraw/zinc/09/16/26/181091626.db2.gz YJJKSEKKURSTPK-UHFFFAOYSA-N 0 0 228.230 2.099 10 30 BEEERN N#Cc1cc([N+](=O)[O-])ccc1OC1=CC(=O)CC1 ZINC000058824897 181093297 /nfs/dbraw/zinc/09/32/97/181093297.db2.gz VKXPWSOCMWTXAE-UHFFFAOYSA-N 0 0 244.206 2.092 10 30 BEEERN N#Cc1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000114998204 181098393 /nfs/dbraw/zinc/09/83/93/181098393.db2.gz YIARRJXSILKEMA-UHFFFAOYSA-N 0 0 249.273 2.156 10 30 BEEERN N#Cc1ccc(N(CC(F)(F)F)C2CC2)nc1 ZINC000042780582 181113848 /nfs/dbraw/zinc/11/38/48/181113848.db2.gz HKCHQCABYVHWRO-UHFFFAOYSA-N 0 0 241.216 2.484 10 30 BEEERN N#Cc1ccc(NC2CCC(O)CC2)c(F)c1 ZINC000036886469 181119141 /nfs/dbraw/zinc/11/91/41/181119141.db2.gz YEYYZNZFEKAFTK-UHFFFAOYSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1ccc(NCc2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000083370093 181123642 /nfs/dbraw/zinc/12/36/42/181123642.db2.gz UULLZVDXADHHOW-UHFFFAOYSA-N 0 0 242.238 2.407 10 30 BEEERN N#Cc1ccc(N[C@H]2COc3ccccc32)nc1 ZINC000070198977 181126499 /nfs/dbraw/zinc/12/64/99/181126499.db2.gz AGUJLZNNHMPBEP-LBPRGKRZSA-N 0 0 237.262 2.499 10 30 BEEERN N#Cc1ccc(OCCOc2ccccc2)nc1 ZINC000019438559 181127765 /nfs/dbraw/zinc/12/77/65/181127765.db2.gz GWGGKPIMQOCDNB-UHFFFAOYSA-N 0 0 240.262 2.411 10 30 BEEERN N#Cc1ccc(OCCCc2c[nH]cn2)cc1 ZINC000001536439 181127804 /nfs/dbraw/zinc/12/78/04/181127804.db2.gz XQNBJFUWFIHAMW-UHFFFAOYSA-N 0 0 227.267 2.293 10 30 in-vivo BEEERN N#Cc1ccc2n[nH]cc2c1C(F)(F)F ZINC000089196464 181131077 /nfs/dbraw/zinc/13/10/77/181131077.db2.gz CXAKZWXAFKVEQM-UHFFFAOYSA-N 0 0 211.146 2.453 10 30 BEEERN N#Cc1cccc(C(=O)Nc2ccccc2N)c1 ZINC000019274009 181135636 /nfs/dbraw/zinc/13/56/36/181135636.db2.gz FSYCEQIQANEUFP-UHFFFAOYSA-N 0 0 237.262 2.393 10 30 BEEERN N#Cc1cccc(NC[C@H]2CCOC2)c1 ZINC000019922324 181141540 /nfs/dbraw/zinc/14/15/40/181141540.db2.gz PZVOAZVSHVDJTP-LLVKDONJSA-N 0 0 202.257 2.007 10 30 BEEERN N#Cc1cccc(OCc2cccnc2N)c1 ZINC000052754676 181142401 /nfs/dbraw/zinc/14/24/01/181142401.db2.gz LAJMQLVJODHCPI-UHFFFAOYSA-N 0 0 225.251 2.114 10 30 BEEERN N#Cc1ccccc1-c1cncc(C=O)c1 ZINC000091362164 181144199 /nfs/dbraw/zinc/14/41/99/181144199.db2.gz RQZIIZOCUWGJQP-UHFFFAOYSA-N 0 0 208.220 2.433 10 30 BEEERN N#Cc1cccc2[nH]c(C(F)(F)F)nc21 ZINC000076213986 181144288 /nfs/dbraw/zinc/14/42/88/181144288.db2.gz CTMQUVYHRSUYON-UHFFFAOYSA-N 0 0 211.146 2.453 10 30 BEEERN N#Cc1ccccc1N[C@H]1CCSC1 ZINC000019921393 181149328 /nfs/dbraw/zinc/14/93/28/181149328.db2.gz ALOOFKPANJLHES-JTQLQIEISA-N 0 0 204.298 2.476 10 30 BEEERN N#Cc1cccnc1OCCOc1ccccc1 ZINC000019427792 181153911 /nfs/dbraw/zinc/15/39/11/181153911.db2.gz WACWCKQMPZEQCT-UHFFFAOYSA-N 0 0 240.262 2.411 10 30 BEEERN N#Cc1ccnc(NC2(CO)CCCCC2)c1 ZINC000053096555 181156565 /nfs/dbraw/zinc/15/65/65/181156565.db2.gz IRLQBDFTGSXQAC-UHFFFAOYSA-N 0 0 231.299 2.060 10 30 BEEERN C#Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000130598289 363433998 /nfs/dbraw/zinc/43/39/98/363433998.db2.gz QVIPPJOTHIZQEA-UHFFFAOYSA-N 0 0 208.644 2.483 10 30 BEEERN N#Cc1ccsc1I ZINC000034586740 181159886 /nfs/dbraw/zinc/15/98/86/181159886.db2.gz SAARTNKVCGHQCW-UHFFFAOYSA-N 0 0 235.049 2.224 10 30 BEEERN C[C@H]1[C@H](C)OC[C@]1(C#N)NCc1ccccc1 ZINC000405726574 354966563 /nfs/dbraw/zinc/96/65/63/354966563.db2.gz VZNUOSYSGXIZQG-OBJOEFQTSA-N 0 0 230.311 2.093 10 30 BEEERN N#Cc1cncc(-c2cccc(CO)c2)c1 ZINC000071791964 181164116 /nfs/dbraw/zinc/16/41/16/181164116.db2.gz JYNZDYKMYCJSEQ-UHFFFAOYSA-N 0 0 210.236 2.113 10 30 BEEERN N#Cc1cnn(C2CCC(F)(F)CC2)c1N ZINC000116919757 181164955 /nfs/dbraw/zinc/16/49/55/181164955.db2.gz PSYAZOGUWFIFLN-UHFFFAOYSA-N 0 0 226.230 2.087 10 30 BEEERN N#Cc1ncc(Br)c2c(N)cccc12 ZINC000082767422 181170928 /nfs/dbraw/zinc/17/09/28/181170928.db2.gz JGTROVGYEPNEGI-UHFFFAOYSA-N 0 0 248.083 2.451 10 30 BEEERN CC1=CCCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000335215344 355053288 /nfs/dbraw/zinc/05/32/88/355053288.db2.gz OFOHFIAGNMNTHX-VXGBXAGGSA-N 0 0 233.315 2.040 10 30 BEEERN N#Cc1sc(-c2ccc([N+](=O)[O-])o2)cc1N ZINC000044273436 181177877 /nfs/dbraw/zinc/17/78/77/181177877.db2.gz VBOIMNLDBWEXJJ-UHFFFAOYSA-N 0 0 235.224 2.370 10 30 BEEERN N/C(=N\O)c1ccc(COCc2ccco2)cc1 ZINC000019488957 181180913 /nfs/dbraw/zinc/18/09/13/181180913.db2.gz XXPPSCUVOXCYJS-UHFFFAOYSA-N 0 0 246.266 2.091 10 30 BEEERN NN=C(Cl)C(=O)c1ccc(Cl)cc1 ZINC000100138655 181183879 /nfs/dbraw/zinc/18/38/79/181183879.db2.gz UCJXCUBYDCBONF-XYOKQWHBSA-N 0 0 217.055 2.034 10 30 BEEERN N/C(=N\O)c1ccc(N2CCCCCC2)cc1 ZINC000019865671 181181781 /nfs/dbraw/zinc/18/17/81/181181781.db2.gz LLILBUGVDCEQTK-UHFFFAOYSA-N 0 0 233.315 2.162 10 30 BEEERN N/C(CCOc1ccc(C(F)(F)F)cc1)=N\O ZINC000020595711 181182525 /nfs/dbraw/zinc/18/25/25/181182525.db2.gz BOSFIHNBCXVEJZ-UHFFFAOYSA-N 0 0 248.204 2.221 10 30 BEEERN C=CCCOCCNc1nccnc1C(C)C ZINC000413199479 191362321 /nfs/dbraw/zinc/36/23/21/191362321.db2.gz DGHITUZFFMBSOD-UHFFFAOYSA-N 0 0 235.331 2.027 10 30 BEEERN C#CC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000405946342 355418535 /nfs/dbraw/zinc/41/85/35/355418535.db2.gz PIKQPJRXULPQPX-UHFFFAOYSA-N 0 0 246.266 2.245 10 30 BEEERN O=C1C=C(N2CC[C@H]3CCCC[C@H]32)CC1 ZINC000160263010 355771795 /nfs/dbraw/zinc/77/17/95/355771795.db2.gz XNOCCOBPTGKNGY-ZWNOBZJWSA-N 0 0 205.301 2.498 10 30 BEEERN CCc1cc(NC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000049138894 355917222 /nfs/dbraw/zinc/91/72/22/355917222.db2.gz VQEGWZGQEFMIMV-UHFFFAOYSA-N 0 0 240.266 2.096 10 30 BEEERN C[C@@H](CC1CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC000329462205 355923638 /nfs/dbraw/zinc/92/36/38/355923638.db2.gz TUGFANALBTUQSI-IONNQARKSA-N 0 0 210.277 2.250 10 30 BEEERN Cc1cc(SC[C@H](C)CO)c(C#N)c(C)n1 ZINC000087975361 356381060 /nfs/dbraw/zinc/38/10/60/356381060.db2.gz QJRDGZRUIAOGFI-MRVPVSSYSA-N 0 0 236.340 2.291 10 30 BEEERN CC[C@@H]1S[C@H](C)C/C(=N\NC(N)=S)[C@H]1C ZINC000000502186 356423730 /nfs/dbraw/zinc/42/37/30/356423730.db2.gz UAUHIFSBKYNFHU-VBZPJYSESA-N 0 0 245.417 2.116 10 30 BEEERN N#CCc1cc([N+](=O)[O-])cnc1C(F)(F)F ZINC000396117288 356453638 /nfs/dbraw/zinc/45/36/38/356453638.db2.gz FIZHKNZFIVWQEU-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C[C@@H](NC1=CC(=O)CC1)c1nccs1 ZINC000160356015 356468392 /nfs/dbraw/zinc/46/83/92/356468392.db2.gz RZZNDMRFLBQJDW-SSDOTTSWSA-N 0 0 208.286 2.041 10 30 BEEERN CC[C@]1(c2cccc(F)c2)O[C@@H]1C(=O)OC ZINC000164144738 538461330 /nfs/dbraw/zinc/46/13/30/538461330.db2.gz TZWMGYIVFSPFCH-ZYHUDNBSSA-N 0 0 224.231 2.003 10 30 BEEERN N#Cc1cc2cc(F)cc(F)c2[nH]c1=O ZINC000675067756 538495132 /nfs/dbraw/zinc/49/51/32/538495132.db2.gz MXSDLQBUZJMMMK-UHFFFAOYSA-N 0 0 206.151 2.090 10 30 BEEERN N#Cc1ccc(-c2cnn3cccnc23)cc1 ZINC000675072229 538502458 /nfs/dbraw/zinc/50/24/58/538502458.db2.gz AAQGFJOHKYHJOY-UHFFFAOYSA-N 0 0 220.235 2.268 10 30 BEEERN CCOc1ccc(C#Cc2cn[nH]c2)cc1 ZINC000675076302 538511204 /nfs/dbraw/zinc/51/12/04/538511204.db2.gz NIFOVKSIBGJEKJ-UHFFFAOYSA-N 0 0 212.252 2.208 10 30 BEEERN C=CCCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113894205 134161674 /nfs/dbraw/zinc/16/16/74/134161674.db2.gz SBOYZUGUQLMPJF-GFCCVEGCSA-N 0 0 233.315 2.430 10 30 BEEERN C#CCCCCNc1cc(C)c(C)nn1 ZINC000302794918 134158360 /nfs/dbraw/zinc/15/83/60/134158360.db2.gz JFYCKKZKRXEHEI-UHFFFAOYSA-N 0 0 203.289 2.309 10 30 BEEERN CCOC(=O)[C@@H]1O[C@]12CCC[C@H](CC)C2 ZINC000084324866 538532357 /nfs/dbraw/zinc/53/23/57/538532357.db2.gz XANGDHGFAHSFPT-NHCYSSNCSA-N 0 0 212.289 2.287 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@@]12CCC[C@@H]2C ZINC000086166173 538551813 /nfs/dbraw/zinc/55/18/13/538551813.db2.gz MXIFDOKLEJLRJY-ZMLRMANQSA-N 0 0 212.289 2.287 10 30 BEEERN CCCCCCCn1cccc(N)c1=O ZINC000088270303 538572609 /nfs/dbraw/zinc/57/26/09/538572609.db2.gz HQQWDWMJNAGJQO-UHFFFAOYSA-N 0 0 208.305 2.401 10 30 BEEERN Cc1ccc(C(=O)/C=C/N(C)C)cc1F ZINC000087284359 538565541 /nfs/dbraw/zinc/56/55/41/538565541.db2.gz DSSPRWUTYAQZDJ-VOTSOKGWSA-N 0 0 207.248 2.392 10 30 BEEERN CN(C)/C=C1/Cc2cc(F)ccc2C1=O ZINC000135401078 538617133 /nfs/dbraw/zinc/61/71/33/538617133.db2.gz OOTXJVDWFHAJOM-CLFYSBASSA-N 0 0 205.232 2.010 10 30 BEEERN CC(=O)Nc1ccc(NC(=O)[C@H](C)CC#N)cc1 ZINC000049832169 356774487 /nfs/dbraw/zinc/77/44/87/356774487.db2.gz UJSYZDMUIOUDDI-SECBINFHSA-N 0 0 245.282 2.133 10 30 BEEERN N#Cc1ncccc1OCCOc1ccccc1 ZINC000130106979 357476122 /nfs/dbraw/zinc/47/61/22/357476122.db2.gz UNVJVMOHUPHVHI-UHFFFAOYSA-N 0 0 240.262 2.411 10 30 BEEERN C=CCC1(C(=O)N[C@H](C)[C@H]2CCCO2)CCC1 ZINC000188597324 357542581 /nfs/dbraw/zinc/54/25/81/357542581.db2.gz ZVLKRLLFYJDJKG-VXGBXAGGSA-N 0 0 237.343 2.417 10 30 BEEERN Cc1nc(CN[C@@H]2CCC[C@H]2C#N)oc1C ZINC000231655016 357616176 /nfs/dbraw/zinc/61/61/76/357616176.db2.gz DJMRPEKAUOJDCZ-WDEREUQCSA-N 0 0 219.288 2.073 10 30 BEEERN C=CC[C@@H](C)Nc1ncnc(Cl)c1N ZINC000169057652 358098984 /nfs/dbraw/zinc/09/89/84/358098984.db2.gz SPFSYXAFIPABMD-ZCFIWIBFSA-N 0 0 212.684 2.089 10 30 BEEERN COc1cc(C#N)c(/N=C(\C)N(C)C)cc1OC ZINC000039618078 358231355 /nfs/dbraw/zinc/23/13/55/358231355.db2.gz BMQJSTINNBYOFH-OQLLNIDSSA-N 0 0 247.298 2.187 10 30 BEEERN N#Cc1cccc(N2C(=O)CC[C@@H]2CF)c1 ZINC000584613465 358277645 /nfs/dbraw/zinc/27/76/45/358277645.db2.gz INSQCXLNRQUNTN-LLVKDONJSA-N 0 0 218.231 2.023 10 30 BEEERN C[C@@H](C#N)Cn1nc(-c2ccccc2)ccc1=O ZINC000584613738 358277953 /nfs/dbraw/zinc/27/79/53/358277953.db2.gz FSVLYVHRVKWKAH-NSHDSACASA-N 0 0 239.278 2.070 10 30 BEEERN Nc1c(F)cc(C#Cc2cccnc2)cc1F ZINC000584591889 358250247 /nfs/dbraw/zinc/25/02/47/358250247.db2.gz NUUIXXSDCAKROI-UHFFFAOYSA-N 0 0 230.217 2.342 10 30 BEEERN COCC#C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000584595444 358253117 /nfs/dbraw/zinc/25/31/17/358253117.db2.gz VARCASWVAOGDNI-CYBMUJFWSA-N 0 0 217.312 2.157 10 30 BEEERN C#CCCCCCCC1OCC(OC)CO1 ZINC000584615224 358279851 /nfs/dbraw/zinc/27/98/51/358279851.db2.gz SZKYKINGCPUMJC-UHFFFAOYSA-N 0 0 226.316 2.348 10 30 BEEERN C#C[C@@](O)(C1CCCC1)C1(C#N)CCC1 ZINC000584600412 358256997 /nfs/dbraw/zinc/25/69/97/358256997.db2.gz LRLKFDZHJMAANH-CYBMUJFWSA-N 0 0 203.285 2.235 10 30 BEEERN CC[C@@H](COc1ccccc1)N=C(C)NC#N ZINC000584601892 358259335 /nfs/dbraw/zinc/25/93/35/358259335.db2.gz QVMGBRDDZBSJBJ-LBPRGKRZSA-N 0 0 231.299 2.333 10 30 BEEERN C#C[C@](O)(c1cccc(C)c1)C1(C#N)CC1 ZINC000584602841 358260689 /nfs/dbraw/zinc/26/06/89/358260689.db2.gz DSQLYLWHQNTVRP-AWEZNQCLSA-N 0 0 211.264 2.120 10 30 BEEERN CC1(C)c2ccccc2CC/C1=N\NC(N)=S ZINC000584605609 358264815 /nfs/dbraw/zinc/26/48/15/358264815.db2.gz YNPQAKOKPMWEAX-RVDMUPIBSA-N 0 0 247.367 2.100 10 30 BEEERN C=C[C@@]1(C)c2ccccc2C(=O)N1OC ZINC000584608940 358269806 /nfs/dbraw/zinc/26/98/06/358269806.db2.gz DOGYGYVJBPGZOG-LBPRGKRZSA-N 0 0 203.241 2.105 10 30 BEEERN C[S+](C)c1c[n-]c2ccc(C#N)cc21 ZINC000584609468 358271120 /nfs/dbraw/zinc/27/11/20/358271120.db2.gz QKOBRRBVWBIEBR-UHFFFAOYSA-N 0 0 203.290 2.276 10 30 BEEERN CCCCC/C=C/COS(C)(=O)=O ZINC000584609897 358271709 /nfs/dbraw/zinc/27/17/09/358271709.db2.gz MUPFNLHYEZHYQR-BQYQJAHWSA-N 0 0 206.307 2.099 10 30 BEEERN CCOC(=O)[C@@]1(C)CCCC/C1=N\OC ZINC000584609993 358272637 /nfs/dbraw/zinc/27/26/37/358272637.db2.gz HFNOXCPPBOOPOJ-UTEVDWOZSA-N 0 0 213.277 2.132 10 30 BEEERN CC(C)(C)C(=O)NCC#Cc1cccs1 ZINC000584622573 358290796 /nfs/dbraw/zinc/29/07/96/358290796.db2.gz FECUVTHOCXAPRR-UHFFFAOYSA-N 0 0 221.325 2.262 10 30 BEEERN C[C@@H]1CCCN1OC(=O)c1ccccc1 ZINC000584625934 358295285 /nfs/dbraw/zinc/29/52/85/358295285.db2.gz KDSFXXCIMNCFRO-SNVBAGLBSA-N 0 0 205.257 2.243 10 30 BEEERN N#Cc1cc(N2CCC3(CC3)CC2)c(F)cn1 ZINC000584628441 358298076 /nfs/dbraw/zinc/29/80/76/358298076.db2.gz GDMXFUOJKPDQIQ-UHFFFAOYSA-N 0 0 231.274 2.473 10 30 BEEERN C=CC[C@@H](Cc1ccccn1)C(=O)OCC ZINC000584629151 358298630 /nfs/dbraw/zinc/29/86/30/358298630.db2.gz INWYXMUSDTWEBN-NSHDSACASA-N 0 0 219.284 2.380 10 30 BEEERN NC(=O)c1sccc1C#Cc1ccc(F)cc1 ZINC000584630119 358299429 /nfs/dbraw/zinc/29/94/29/358299429.db2.gz JYRVUTOCUHPZGH-UHFFFAOYSA-N 0 0 245.278 2.386 10 30 BEEERN C=CCOc1c(OC)cccc1OC[C@H]1CO1 ZINC000584651061 358305506 /nfs/dbraw/zinc/30/55/06/358305506.db2.gz WIGDYNBJQMPNON-SNVBAGLBSA-N 0 0 236.267 2.038 10 30 BEEERN C#CCOC[C@H]1O[C@@H]1c1ccc(Cl)cc1 ZINC000584656951 358308799 /nfs/dbraw/zinc/30/87/99/358308799.db2.gz MCILUJVUIYQETH-VXGBXAGGSA-N 0 0 222.671 2.430 10 30 BEEERN CC(C)(C)C(=O)ONC(=O)c1cccc(F)c1 ZINC000584632359 358314768 /nfs/dbraw/zinc/31/47/68/358314768.db2.gz AVADNNLOCIDNIL-UHFFFAOYSA-N 0 0 239.246 2.060 10 30 BEEERN CCC(F)(F)c1cc(C)[nH]c(=O)c1C#N ZINC000584633592 358317867 /nfs/dbraw/zinc/31/78/67/358317867.db2.gz USMBWMGINOFQBC-UHFFFAOYSA-N 0 0 212.199 2.469 10 30 BEEERN N#Cc1cc2ccnc(Cl)c2cc1O ZINC000584639738 358325526 /nfs/dbraw/zinc/32/55/26/358325526.db2.gz GHMXSSWFOMYMQY-UHFFFAOYSA-N 0 0 204.616 2.465 10 30 BEEERN CC[C@](C)(C#N)NC(=O)[C@@H]1CCC[C@@H]1C ZINC000230062048 358391496 /nfs/dbraw/zinc/39/14/96/358391496.db2.gz DOXICWSXJISOSC-HOSYDEDBSA-N 0 0 208.305 2.231 10 30 BEEERN CC(C)(C#N)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000044410565 358548832 /nfs/dbraw/zinc/54/88/32/358548832.db2.gz PUYQRMALXVGCRS-NWDGAFQWSA-N 0 0 228.295 2.208 10 30 BEEERN C=CCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000128095251 358570084 /nfs/dbraw/zinc/57/00/84/358570084.db2.gz XFCNNWHFYWSGPZ-GXTWGEPZSA-N 0 0 237.343 2.106 10 30 BEEERN CCCCOCCOc1cccnc1C#N ZINC000130123579 358610554 /nfs/dbraw/zinc/61/05/54/358610554.db2.gz OFPOLEBVJZENCN-UHFFFAOYSA-N 0 0 220.272 2.149 10 30 BEEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)co1 ZINC000130327335 358618686 /nfs/dbraw/zinc/61/86/86/358618686.db2.gz FAPGXLPSRUYPNS-GXSJLCMTSA-N 0 0 218.256 2.010 10 30 BEEERN Cc1cnccc1CN[C@H]1CCC[C@H]1C#N ZINC000129770094 358596037 /nfs/dbraw/zinc/59/60/37/358596037.db2.gz PNEQWGHJVHLXMO-AAEUAGOBSA-N 0 0 215.300 2.172 10 30 BEEERN CC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000074778255 358696593 /nfs/dbraw/zinc/69/65/93/358696593.db2.gz UYVOMYCPOKSXGR-UHFFFAOYSA-N 0 0 228.295 2.090 10 30 BEEERN C=CCC[C@@H](O)CN(CCCO)c1ccccc1 ZINC000134148611 358781958 /nfs/dbraw/zinc/78/19/58/358781958.db2.gz UOTFVFYSWXODTA-OAHLLOKOSA-N 0 0 249.354 2.203 10 30 BEEERN COc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000054823501 358876327 /nfs/dbraw/zinc/87/63/27/358876327.db2.gz NHSICOLCZGCFLE-TZMCWYRMSA-N 0 0 230.311 2.477 10 30 BEEERN CC[C@@H](S)C(=O)Nc1cccnc1C ZINC000306153535 358921474 /nfs/dbraw/zinc/92/14/74/358921474.db2.gz AXNGOALUMRMMFA-SECBINFHSA-N 0 0 210.302 2.037 10 30 BEEERN CC[C@@H](C#N)NC(=O)c1cccc2ncccc21 ZINC000061415107 358934058 /nfs/dbraw/zinc/93/40/58/358934058.db2.gz CHOWEDOIBVYHBU-JTQLQIEISA-N 0 0 239.278 2.267 10 30 BEEERN C#CCN(C)c1ccc(F)cc1C(C)=O ZINC000130212758 358954395 /nfs/dbraw/zinc/95/43/95/358954395.db2.gz SVLCKLUACCJEAZ-UHFFFAOYSA-N 0 0 205.232 2.098 10 30 BEEERN CC[C@@H](S)C(=O)Nc1ccsc1 ZINC000306159904 358955001 /nfs/dbraw/zinc/95/50/01/358955001.db2.gz FIDZCUWONHFVAZ-SSDOTTSWSA-N 0 0 201.316 2.395 10 30 BEEERN CC[C@H](S)C(=O)Nc1ccsc1 ZINC000306159906 358955029 /nfs/dbraw/zinc/95/50/29/358955029.db2.gz FIDZCUWONHFVAZ-ZETCQYMHSA-N 0 0 201.316 2.395 10 30 BEEERN N#CC1(c2nnc(C(F)(F)F)s2)CC1 ZINC000306200950 359290646 /nfs/dbraw/zinc/29/06/46/359290646.db2.gz KFHYZJLKMAHGHQ-UHFFFAOYSA-N 0 0 219.191 2.112 10 30 BEEERN CC[C@@H](S)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000306205290 359297220 /nfs/dbraw/zinc/29/72/20/359297220.db2.gz OLQXCJAHXXNPAK-KXUCPTDWSA-N 0 0 215.362 2.484 10 30 BEEERN Cc1ccc(S(=O)(=O)OCC2CC2)cc1 ZINC000039309553 359313639 /nfs/dbraw/zinc/31/36/39/359313639.db2.gz WRPMREPGSFVNAQ-UHFFFAOYSA-N 0 0 226.297 2.110 10 30 BEEERN N#Cc1c(N)cc(F)c(Br)c1F ZINC000169122614 359313856 /nfs/dbraw/zinc/31/38/56/359313856.db2.gz ABMALYSBYZLUJQ-UHFFFAOYSA-N 0 0 233.015 2.181 10 30 BEEERN C[C@@H](S)C(=O)NCc1ccsc1Cl ZINC000306241850 359425127 /nfs/dbraw/zinc/42/51/27/359425127.db2.gz SDSMESZFVZGAMZ-RXMQYKEDSA-N 0 0 235.761 2.336 10 30 BEEERN CC1(C)OCC[C@]1(C#N)NCc1ccccc1 ZINC000306249788 359449624 /nfs/dbraw/zinc/44/96/24/359449624.db2.gz YDUWGFVQVALSHF-CQSZACIVSA-N 0 0 230.311 2.237 10 30 BEEERN CO[C@H](C=O)c1cc(F)cc(Cl)c1 ZINC000306250692 359455784 /nfs/dbraw/zinc/45/57/84/359455784.db2.gz YPXPOYSDPHCUOM-SECBINFHSA-N 0 0 202.612 2.366 10 30 BEEERN C[C@@H]1C[C@@](C#N)(N(C)C)CN1Cc1ccccc1 ZINC000306254133 359465359 /nfs/dbraw/zinc/46/53/59/359465359.db2.gz UCAAAVBXTDLRPO-HIFRSBDPSA-N 0 0 243.354 2.105 10 30 BEEERN CC[C@H](CC#N)Nc1ccnc(Cl)n1 ZINC000306258138 359473824 /nfs/dbraw/zinc/47/38/24/359473824.db2.gz ZLDZLFPVXHJBRY-SSDOTTSWSA-N 0 0 210.668 2.234 10 30 BEEERN C#CC[C@@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000306299751 359548158 /nfs/dbraw/zinc/54/81/58/359548158.db2.gz FDEMAMJRCNZGDD-SSDOTTSWSA-N 0 0 210.258 2.480 10 30 BEEERN CC(C)=CC(=O)c1ncncc1Br ZINC000306304488 359583808 /nfs/dbraw/zinc/58/38/08/359583808.db2.gz HESQPJYSLMEPGU-UHFFFAOYSA-N 0 0 241.088 2.388 10 30 BEEERN O=C[C@@H]1CC[C@H](c2ccc(Br)o2)O1 ZINC000306317931 359596957 /nfs/dbraw/zinc/59/69/57/359596957.db2.gz ZPTXMHHGBIBVQQ-NKWVEPMBSA-N 0 0 245.072 2.461 10 30 BEEERN N#Cc1sc(N2CCSC2)nc1Cl ZINC000306317953 359597032 /nfs/dbraw/zinc/59/70/32/359597032.db2.gz HZCMVAPWDHYVTO-UHFFFAOYSA-N 0 0 231.733 2.179 10 30 BEEERN Cc1ccc(NC(=O)C#CBr)cc1 ZINC000306358216 359684205 /nfs/dbraw/zinc/68/42/05/359684205.db2.gz YEZBBDRUQQAZMG-UHFFFAOYSA-N 0 0 238.084 2.289 10 30 BEEERN C=C[C@H](NN)c1ccc(F)c(Cl)c1 ZINC000169218918 359800490 /nfs/dbraw/zinc/80/04/90/359800490.db2.gz BHHOYKPLJVVEMT-VIFPVBQESA-N 0 0 200.644 2.170 10 30 BEEERN Cc1cc(F)c(F)cc1OC[C@H]1CO1 ZINC000306423555 359865001 /nfs/dbraw/zinc/86/50/01/359865001.db2.gz BLYVQQVOCJMYJF-SSDOTTSWSA-N 0 0 200.184 2.051 10 30 BEEERN C[C@H]1COCC[C@@]1(C#N)NCc1ccccc1 ZINC000306425995 359874095 /nfs/dbraw/zinc/87/40/95/359874095.db2.gz RJXFTNXYLMGDNE-JSGCOSHPSA-N 0 0 230.311 2.095 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1nc2c(s1)CCC2 ZINC000612584422 359896773 /nfs/dbraw/zinc/89/67/73/359896773.db2.gz HPLGHTHUJJZZHI-ZJUUUORDSA-N 0 0 247.367 2.414 10 30 BEEERN CO[C@H](C=O)c1c(F)cccc1Br ZINC000306474028 360097153 /nfs/dbraw/zinc/09/71/53/360097153.db2.gz VJDDBCPVHZJMRX-MRVPVSSYSA-N 0 0 247.063 2.475 10 30 BEEERN CC[C@@H](C#N)N1CC[C@H](C(F)(F)F)C1 ZINC000306465338 360079077 /nfs/dbraw/zinc/07/90/77/360079077.db2.gz BGEIYQMQLMGUMG-YUMQZZPRSA-N 0 0 206.211 2.173 10 30 BEEERN C[C@@H]1CCC[C@@H](C)N1C(=O)C#CBr ZINC000306491906 360210046 /nfs/dbraw/zinc/21/00/46/360210046.db2.gz PAZMZAHUBNAOPV-RKDXNWHRSA-N 0 0 244.132 2.132 10 30 BEEERN CCN(O)C(=O)c1cc(Cl)nc(Cl)c1 ZINC000306564176 360443095 /nfs/dbraw/zinc/44/30/95/360443095.db2.gz DSAWXVLQFVLYBQ-UHFFFAOYSA-N 0 0 235.070 2.240 10 30 BEEERN CC(C)(C)C#CCC(=O)C[C@@H]1CCOC1 ZINC000300729322 360415262 /nfs/dbraw/zinc/41/52/62/360415262.db2.gz FEDJEEXIHTZNHA-NSHDSACASA-N 0 0 208.301 2.422 10 30 BEEERN Cc1csc(=O)n1C[C@H](C#N)C(C)C ZINC000306590443 360494455 /nfs/dbraw/zinc/49/44/55/360494455.db2.gz XUEJZNQLQNWVNH-VIFPVBQESA-N 0 0 210.302 2.014 10 30 BEEERN CC#CCN[C@H](C)c1nc(C)sc1C ZINC000162004204 360453593 /nfs/dbraw/zinc/45/35/93/360453593.db2.gz IHLLHLYTFXZWLO-MRVPVSSYSA-N 0 0 208.330 2.434 10 30 BEEERN CC(C)(C)C#CCC(=O)[C@H](O)C(C)(C)C ZINC000300826009 360524397 /nfs/dbraw/zinc/52/43/97/360524397.db2.gz ZWUNCKYPYURDQP-NSHDSACASA-N 0 0 210.317 2.402 10 30 BEEERN CCc1nnc(C)cc1C(=O)C=C(C)C ZINC000161099971 360524835 /nfs/dbraw/zinc/52/48/35/360524835.db2.gz BUASUFLPMKZYFY-UHFFFAOYSA-N 0 0 204.273 2.496 10 30 BEEERN N#Cc1cc(F)cc([N+](=O)[O-])c1Br ZINC000306603048 360528729 /nfs/dbraw/zinc/52/87/29/360528729.db2.gz LZMRKNZCZVQQJN-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN N#Cc1n[nH]nc1-c1cccc(Br)c1 ZINC000238031120 360538593 /nfs/dbraw/zinc/53/85/93/360538593.db2.gz UEBXFORUBLSYRX-UHFFFAOYSA-N 0 0 249.071 2.106 10 30 BEEERN COC(=O)c1ccc(C)c(C#N)c1Cl ZINC000306609961 360598550 /nfs/dbraw/zinc/59/85/50/360598550.db2.gz ZPEVQVBXMQNWRV-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C=O)C1 ZINC000238150768 360626247 /nfs/dbraw/zinc/62/62/47/360626247.db2.gz BYAGFJSHNKNYTR-QMMMGPOBSA-N 0 0 249.257 2.078 10 30 BEEERN CCOC(=O)Cc1cccc(C#N)c1Cl ZINC000238260511 360761472 /nfs/dbraw/zinc/76/14/72/360761472.db2.gz FISOOBIYHQOZDS-UHFFFAOYSA-N 0 0 223.659 2.317 10 30 BEEERN Cc1ccc(OC(F)(F)F)c(CC#N)n1 ZINC000238462803 361086640 /nfs/dbraw/zinc/08/66/40/361086640.db2.gz HEBJNAWHWZMMJJ-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN N#CCc1cc(F)cc(OC(F)F)c1 ZINC000238525692 361139429 /nfs/dbraw/zinc/13/94/29/361139429.db2.gz KTFJPEKFUYRDDQ-UHFFFAOYSA-N 0 0 201.147 2.493 10 30 BEEERN N#Cc1cnc(OC(F)(F)F)c(CF)c1 ZINC000238689108 361178525 /nfs/dbraw/zinc/17/85/25/361178525.db2.gz NSQYGIVPAVJSIF-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1ccc(OC(F)(F)F)c(O)c1 ZINC000238727752 361371749 /nfs/dbraw/zinc/37/17/49/361371749.db2.gz VZIFEZIMNKXXEQ-UHFFFAOYSA-N 0 0 203.119 2.162 10 30 BEEERN NC1=C(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000102988228 181338343 /nfs/dbraw/zinc/33/83/43/181338343.db2.gz GFUXSPXAFRJOOL-UHFFFAOYSA-N 0 0 249.269 2.436 10 30 BEEERN Cc1nsc(N[C@@H]2CCC[C@@H]2C#N)c1C#N ZINC000381852539 361568011 /nfs/dbraw/zinc/56/80/11/361568011.db2.gz TYHAYFCUOPYVFN-PSASIEDQSA-N 0 0 232.312 2.427 10 30 BEEERN C[C@@](N)(C#N)CSc1ncccc1Cl ZINC000070615727 361631827 /nfs/dbraw/zinc/63/18/27/361631827.db2.gz BOXNXVFWLLNZJC-SECBINFHSA-N 0 0 227.720 2.068 10 30 BEEERN CC(C)c1noc(-c2cc(C#N)cn2C)n1 ZINC000130648943 363869813 /nfs/dbraw/zinc/86/98/13/363869813.db2.gz FJGLPNUHHVDMLY-UHFFFAOYSA-N 0 0 216.244 2.070 10 30 BEEERN COC(=O)[C@H]1O[C@@]1(C)Cc1ccc(Cl)cc1 ZINC000234574220 541311478 /nfs/dbraw/zinc/31/14/78/541311478.db2.gz LBBFPADPEZWVQU-PWSUYJOCSA-N 0 0 240.686 2.213 10 30 BEEERN COC(=O)[C@@]1(C(C)C)OC12CC(C(C)C)C2 ZINC000234576498 541311623 /nfs/dbraw/zinc/31/16/23/541311623.db2.gz QZSATPNPSORNIN-KGPNIALWSA-N 0 0 226.316 2.389 10 30 BEEERN CCC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C=O ZINC000725269780 541339198 /nfs/dbraw/zinc/33/91/98/541339198.db2.gz QIASKDCOAFWBKE-WDEREUQCSA-N 0 0 241.331 2.469 10 30 BEEERN Cc1cc(C#N)nc(N2CC[C@H]3CCC[C@@H]32)n1 ZINC000329088644 541342731 /nfs/dbraw/zinc/34/27/31/541342731.db2.gz HZVYPQAHAWQAJB-PWSUYJOCSA-N 0 0 228.299 2.036 10 30 BEEERN N#Cc1cnc2cc(C(F)(F)F)ccn12 ZINC000260668929 541349325 /nfs/dbraw/zinc/34/93/25/541349325.db2.gz XEXUHOUUCSYZNI-UHFFFAOYSA-N 0 0 211.146 2.225 10 30 BEEERN CC[C@@H]1CCCCCN1C(=O)[C@H](C)C#N ZINC000134805620 364413903 /nfs/dbraw/zinc/41/39/03/364413903.db2.gz XBCMHUUXVRYLOD-GHMZBOCLSA-N 0 0 208.305 2.327 10 30 BEEERN CCSc1ccc(/C(N)=N/O)cc1C ZINC000037734192 364563667 /nfs/dbraw/zinc/56/36/67/364563667.db2.gz NWVRARUIXHYGKC-UHFFFAOYSA-N 0 0 210.302 2.202 10 30 BEEERN CC(C)Sc1ccc(/C(N)=N/O)cc1 ZINC000037685762 364517082 /nfs/dbraw/zinc/51/70/82/364517082.db2.gz IRLDBXBKZLUYMY-UHFFFAOYSA-N 0 0 210.302 2.282 10 30 BEEERN CC(C)(C#N)NC(=O)[C@H]1CCCCC1(F)F ZINC000327911211 364801009 /nfs/dbraw/zinc/80/10/09/364801009.db2.gz QTDYRKUNZWQMMY-MRVPVSSYSA-N 0 0 230.258 2.230 10 30 BEEERN C=CCc1cc(C#N)ccc1OCOC ZINC000667941347 541433772 /nfs/dbraw/zinc/43/37/72/541433772.db2.gz USTSFKWRSABRIV-UHFFFAOYSA-N 0 0 203.241 2.269 10 30 BEEERN C[C@H]1COC[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000192037747 365270268 /nfs/dbraw/zinc/27/02/68/365270268.db2.gz OVMOVNXXOTUMBQ-QWRGUYRKSA-N 0 0 248.301 2.307 10 30 BEEERN C[Si](C)(C)C#CC(=O)c1cccnc1 ZINC000196042311 541513781 /nfs/dbraw/zinc/51/37/81/541513781.db2.gz CHBFIURELMQMQQ-UHFFFAOYSA-N 0 0 203.317 2.145 10 30 BEEERN O=CCc1sccc1Br ZINC000069049521 370877670 /nfs/dbraw/zinc/87/76/70/370877670.db2.gz QHVUPTNNHXCNBA-UHFFFAOYSA-N 0 0 205.076 2.252 10 30 BEEERN Cc1cc(C(=O)C2CC2)c(N)c(C#N)c1C ZINC000027878722 370876244 /nfs/dbraw/zinc/87/62/44/370876244.db2.gz VRZWPLXHLOAPIA-UHFFFAOYSA-N 0 0 214.268 2.350 10 30 BEEERN C#CCN(CC)c1ccc(Br)cn1 ZINC000130775179 368275836 /nfs/dbraw/zinc/27/58/36/368275836.db2.gz YORZISPHDQRSPT-UHFFFAOYSA-N 0 0 239.116 2.304 10 30 BEEERN C#CCSc1nc(C(C)(C)C)n(CC=C)n1 ZINC000072316931 368337448 /nfs/dbraw/zinc/33/74/48/368337448.db2.gz FRQDDYWXQBAHIH-UHFFFAOYSA-N 0 0 235.356 2.487 10 30 BEEERN C=CC(=O)c1ccc(OCC)c(OC)c1 ZINC000107774640 368517287 /nfs/dbraw/zinc/51/72/87/368517287.db2.gz UWXJCMNXCSMKTI-UHFFFAOYSA-N 0 0 206.241 2.463 10 30 BEEERN C=C1CC2(CCC3(CC(=C)C(=O)O3)CC2)OC1=O ZINC000001762601 368696640 /nfs/dbraw/zinc/69/66/40/368696640.db2.gz ZFWFRBDYZFOLQP-UHFFFAOYSA-N 0 0 248.278 2.044 10 30 BEEERN N#Cc1cccc(Oc2ccc(N)cc2)n1 ZINC000081596246 370902464 /nfs/dbraw/zinc/90/24/64/370902464.db2.gz FPBQJBMCQGADBD-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN C=CCNC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000041453704 368978875 /nfs/dbraw/zinc/97/88/75/368978875.db2.gz OZQZZSDAQFTIII-UHFFFAOYSA-N 0 0 241.294 2.097 10 30 BEEERN CC(C)(C)OC(=O)N1CCC2(CC2)C[C@H]1C=O ZINC000114873862 368956229 /nfs/dbraw/zinc/95/62/29/368956229.db2.gz BABYBNKBVQWOOY-JTQLQIEISA-N 0 0 239.315 2.365 10 30 BEEERN N#CCCN1CCC(c2ccco2)CC1 ZINC000057492405 369396851 /nfs/dbraw/zinc/39/68/51/369396851.db2.gz JDJBRXJRIZSTIT-UHFFFAOYSA-N 0 0 204.273 2.373 10 30 BEEERN CCN(CC)c1cc(C#N)cc(Cl)n1 ZINC000215406502 370957498 /nfs/dbraw/zinc/95/74/98/370957498.db2.gz RUSAVXPWLXZGSA-UHFFFAOYSA-N 0 0 209.680 2.453 10 30 BEEERN C=CCCCN(C)Cc1nc(CC)no1 ZINC000117877812 370978749 /nfs/dbraw/zinc/97/87/49/370978749.db2.gz AHBCHGZFDDVMDX-UHFFFAOYSA-N 0 0 209.293 2.030 10 30 BEEERN N#Cc1cc(-c2cccnc2)nn1CC1CC1 ZINC000409443394 369977946 /nfs/dbraw/zinc/97/79/46/369977946.db2.gz MCYDNSFZSADQRS-UHFFFAOYSA-N 0 0 224.267 2.227 10 30 BEEERN N#Cc1c(-c2ccccn2)n[nH]c1C1CC1 ZINC000409441702 369979380 /nfs/dbraw/zinc/97/93/80/369979380.db2.gz SSLAUVBMHFFVRE-UHFFFAOYSA-N 0 0 210.240 2.221 10 30 BEEERN Cc1cc(N[C@H]2CC[C@H](O)CC2)c(C#N)c(C)n1 ZINC000252702388 370117277 /nfs/dbraw/zinc/11/72/77/370117277.db2.gz HIMAIYUCPMAKHR-HAQNSBGRSA-N 0 0 245.326 2.286 10 30 BEEERN CCc1cc(OC)c(CC#N)cc1OC ZINC000215267388 370384233 /nfs/dbraw/zinc/38/42/33/370384233.db2.gz PDNWTAKWRFVPEB-UHFFFAOYSA-N 0 0 205.257 2.332 10 30 BEEERN C=CCOc1cc([N+](=O)[O-])ccc1C#N ZINC000113655315 370450327 /nfs/dbraw/zinc/45/03/27/370450327.db2.gz HLPXACVEKAQVFI-UHFFFAOYSA-N 0 0 204.185 2.031 10 30 BEEERN N#C[C@@H](c1nccs1)N1CCCCC1 ZINC000161577630 370439255 /nfs/dbraw/zinc/43/92/55/370439255.db2.gz XAFOSPGBHPQWKX-VIFPVBQESA-N 0 0 207.302 2.194 10 30 BEEERN Cc1nn(C)c(C)c1CN[C@H]1CCCC[C@H]1C#N ZINC000092330819 371091965 /nfs/dbraw/zinc/09/19/65/371091965.db2.gz GGQXZONRFRUMPH-JSGCOSHPSA-N 0 0 246.358 2.209 10 30 BEEERN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000020363666 371272478 /nfs/dbraw/zinc/27/24/78/371272478.db2.gz BUCAHNMCBBHVSE-GHMZBOCLSA-N 0 0 246.310 2.240 10 30 BEEERN Nc1c(Cl)ncnc1C#Cc1ccccc1 ZINC000091366083 181668303 /nfs/dbraw/zinc/66/83/03/181668303.db2.gz VILNIQNGIVLUPS-UHFFFAOYSA-N 0 0 229.670 2.112 10 30 BEEERN Cc1cc(Sc2nccn2C)c(C#N)c(C)n1 ZINC000156537446 371442772 /nfs/dbraw/zinc/44/27/72/371442772.db2.gz XRUDQFANEWQUGS-UHFFFAOYSA-N 0 0 244.323 2.455 10 30 BEEERN N#CC1([C@@H](O)c2nccs2)CCCC1 ZINC000161765747 371561892 /nfs/dbraw/zinc/56/18/92/371561892.db2.gz ONNRFIIQTFEEEB-QMMMGPOBSA-N 0 0 208.286 2.260 10 30 BEEERN C#CCN[C@H](C)c1ccc(Br)o1 ZINC000131602506 371630079 /nfs/dbraw/zinc/63/00/79/371630079.db2.gz VSXNGBKIWJDTLY-SSDOTTSWSA-N 0 0 228.089 2.326 10 30 BEEERN C#C[C@@H](CCC)Nc1ncc(Cl)cn1 ZINC000230004662 371632986 /nfs/dbraw/zinc/63/29/86/371632986.db2.gz REHGOFYPBNXGTL-VIFPVBQESA-N 0 0 209.680 2.344 10 30 BEEERN N#Cc1c(N)c(F)cc(OC(F)F)c1F ZINC000230030256 371639441 /nfs/dbraw/zinc/63/94/41/371639441.db2.gz WPDUKOBQAVOGTL-UHFFFAOYSA-N 0 0 220.125 2.020 10 30 BEEERN C[C@](N)(C#N)c1ccc(Br)cc1F ZINC000131935630 371721603 /nfs/dbraw/zinc/72/16/03/371721603.db2.gz YYGQMRQJQPCNAY-VIFPVBQESA-N 0 0 243.079 2.286 10 30 BEEERN C#CCC(=O)c1ccc(N)c(Br)c1 ZINC000226513984 371684868 /nfs/dbraw/zinc/68/48/68/371684868.db2.gz ZTNRIHCLVKTHTF-UHFFFAOYSA-N 0 0 238.084 2.237 10 30 BEEERN N#C[C@]1(c2ccc(Cl)cc2)C[C@@H]1CO ZINC000132781033 371921872 /nfs/dbraw/zinc/92/18/72/371921872.db2.gz XSMNRWXFAQNXGI-KOLCDFICSA-N 0 0 207.660 2.114 10 30 BEEERN N#C[C@@]1(c2cccc(Cl)c2)C[C@H]1CO ZINC000132779665 371922006 /nfs/dbraw/zinc/92/20/06/371922006.db2.gz KBVXJBGNIHRAAH-GXSJLCMTSA-N 0 0 207.660 2.114 10 30 BEEERN CN[C@@H](C#N)c1sccc1Br ZINC000228006410 371965855 /nfs/dbraw/zinc/96/58/55/371965855.db2.gz QWAJPAVOWLPLCI-LURJTMIESA-N 0 0 231.118 2.295 10 30 BEEERN CC1(C)C[C@@H]1c1noc(-c2ccc(C#N)[nH]2)n1 ZINC000230996188 371983586 /nfs/dbraw/zinc/98/35/86/371983586.db2.gz BIMABQCWCAJFSQ-MRVPVSSYSA-N 0 0 228.255 2.450 10 30 BEEERN C#CCCC(=O)[C@H]1SCCS[C@@H]1C ZINC000228076409 371986316 /nfs/dbraw/zinc/98/63/16/371986316.db2.gz KNFFJNZWPQXCBD-SCZZXKLOSA-N 0 0 214.355 2.206 10 30 BEEERN CC#CC[C@@H](O)c1ncccc1Br ZINC000133111866 371989934 /nfs/dbraw/zinc/98/99/34/371989934.db2.gz FQGHKRILMLOJDN-SECBINFHSA-N 0 0 240.100 2.291 10 30 BEEERN C[C@@H]1Cc2nc(CC#N)sc2[C@H](C)O1 ZINC000133502123 372063954 /nfs/dbraw/zinc/06/39/54/372063954.db2.gz VZTDILSQOIYIFC-RQJHMYQMSA-N 0 0 208.286 2.231 10 30 BEEERN N#C[C@]1(Cc2nccs2)CCCOC1 ZINC000228651885 372064549 /nfs/dbraw/zinc/06/45/49/372064549.db2.gz CBVPQUMGFBQAAW-SNVBAGLBSA-N 0 0 208.286 2.006 10 30 BEEERN CCc1cnc(CN[C@H]2CCC[C@H]2C#N)o1 ZINC000231646797 372067477 /nfs/dbraw/zinc/06/74/77/372067477.db2.gz PNETWQAOQDVNRY-ONGXEEELSA-N 0 0 219.288 2.019 10 30 BEEERN O=C1C[C@@H]2CCCC[C@H]2N1CCCS ZINC000307207523 372097007 /nfs/dbraw/zinc/09/70/07/372097007.db2.gz MNZSOGNVYJOKNM-VHSXEESVSA-N 0 0 213.346 2.097 10 30 BEEERN O=C1C[C@H]2CCCC[C@H]2N1CCCS ZINC000307207521 372097823 /nfs/dbraw/zinc/09/78/23/372097823.db2.gz MNZSOGNVYJOKNM-NXEZZACHSA-N 0 0 213.346 2.097 10 30 BEEERN C#CCSCc1cc(Br)no1 ZINC000307226655 372099614 /nfs/dbraw/zinc/09/96/14/372099614.db2.gz VVZYMGXPRZWUSL-UHFFFAOYSA-N 0 0 232.102 2.304 10 30 BEEERN C=CCNc1ncnc(Cl)c1Br ZINC000229298551 372137629 /nfs/dbraw/zinc/13/76/29/372137629.db2.gz BQMUTZWICHKGDC-UHFFFAOYSA-N 0 0 248.511 2.490 10 30 BEEERN C=C[C@H](C)Nc1nc(C)nc(Cl)c1C=O ZINC000229319244 372140595 /nfs/dbraw/zinc/14/05/95/372140595.db2.gz XPYNGEBADWXMOI-LURJTMIESA-N 0 0 225.679 2.237 10 30 BEEERN CCc1nc(Cl)c(CC=O)c(Cl)n1 ZINC000219108403 372193292 /nfs/dbraw/zinc/19/32/92/372193292.db2.gz JCELJKHHQIMONV-UHFFFAOYSA-N 0 0 219.071 2.087 10 30 BEEERN C=CCOc1ccccc1C(=O)N[C@H]1C[C@H]1C ZINC000171053746 372280018 /nfs/dbraw/zinc/28/00/18/372280018.db2.gz XHBDQBPPIIAILV-PWSUYJOCSA-N 0 0 231.295 2.390 10 30 BEEERN C=CCOc1ccccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000171053764 372280389 /nfs/dbraw/zinc/28/03/89/372280389.db2.gz XHBDQBPPIIAILV-CMPLNLGQSA-N 0 0 231.295 2.390 10 30 BEEERN CC(C)[C@@H](C)CC(=O)NC1(C#N)CCC1 ZINC000067913894 372887932 /nfs/dbraw/zinc/88/79/32/372887932.db2.gz ZEPZBABMWKBDCT-JTQLQIEISA-N 0 0 208.305 2.231 10 30 BEEERN S=C1S[C@@H](S)NN1c1ccccc1 ZINC000142008749 373088567 /nfs/dbraw/zinc/08/85/67/373088567.db2.gz PPWXQUGJCBBMSJ-SSDOTTSWSA-N 0 0 228.367 2.243 10 30 BEEERN Cc1cc(=O)c2cccc(Cl)c2n1CC#N ZINC000040174215 373115366 /nfs/dbraw/zinc/11/53/66/373115366.db2.gz SJXOMIXHLJAAPE-UHFFFAOYSA-N 0 0 232.670 2.487 10 30 BEEERN Cn1cc(S[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000042406119 374267124 /nfs/dbraw/zinc/26/71/24/374267124.db2.gz SIHJPZSZVZZNKQ-PSASIEDQSA-N 0 0 207.302 2.204 10 30 BEEERN CCOC(=O)c1c(C)c(OC)ccc1C#N ZINC000144142661 374274461 /nfs/dbraw/zinc/27/44/61/374274461.db2.gz KNLVEIKRIBIXSG-UHFFFAOYSA-N 0 0 219.240 2.052 10 30 BEEERN CC[C@H](C)CC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000167405973 206143709 /nfs/dbraw/zinc/14/37/09/206143709.db2.gz ACVMDTNQFMNMMI-AXFHLTTASA-N 0 0 208.305 2.231 10 30 BEEERN O=C(Nc1cccc(C#CCCO)c1)C1CCC1 ZINC000037550048 182366389 /nfs/dbraw/zinc/36/63/89/182366389.db2.gz NHDVLLQLKSXATO-UHFFFAOYSA-N 0 0 243.306 2.159 10 30 BEEERN O=C(c1ccncc1)N(O)Cc1ccccc1 ZINC000238853869 182688769 /nfs/dbraw/zinc/68/87/69/182688769.db2.gz LLPNQXUOEDNKGW-UHFFFAOYSA-N 0 0 228.251 2.113 10 30 BEEERN CCCCOc1ccc(CC(=O)N(C)O)cc1 ZINC000028096255 168917634 /nfs/dbraw/zinc/91/76/34/168917634.db2.gz JGCLGKCTJPLHOR-UHFFFAOYSA-N 0 0 237.299 2.256 10 30 in-vivo BEEERN CCCCc1ccc(NC(=O)C/C(N)=N/O)cc1 ZINC000021963429 169020916 /nfs/dbraw/zinc/02/09/16/169020916.db2.gz ZWMZJMIJWJKSDT-UHFFFAOYSA-N 0 0 249.314 2.104 10 30 BEEERN OCc1ccc(C#CC(F)(F)F)cc1 ZINC000098210026 183163250 /nfs/dbraw/zinc/16/32/50/183163250.db2.gz PCHPXCGVZYVCQT-UHFFFAOYSA-N 0 0 200.159 2.093 10 30 BEEERN O[C@@H](C#CC(F)(F)F)c1ccccc1 ZINC000015774485 183172564 /nfs/dbraw/zinc/17/25/64/183172564.db2.gz KKKZUTBIBVPCEV-VIFPVBQESA-N 0 0 200.159 2.286 10 30 BEEERN c1c[nH]c(-c2ccccc2OC[C@H]2CO2)c1 ZINC000034143582 183323959 /nfs/dbraw/zinc/32/39/59/183323959.db2.gz SSABLTSPOQCSNJ-SNVBAGLBSA-N 0 0 215.252 2.459 10 30 BEEERN CCCNC(=O)[C@H](C)Nc1ccc(F)cc1C#N ZINC000104250273 169247899 /nfs/dbraw/zinc/24/78/99/169247899.db2.gz BSFOZEDXKAEQCB-VIFPVBQESA-N 0 0 249.289 2.024 10 30 BEEERN CCCN[C@@H](C#N)c1ccc2c(c1)CCN2C ZINC000050287416 169273051 /nfs/dbraw/zinc/27/30/51/169273051.db2.gz HOCMPRMJTJNXEJ-ZDUSSCGKSA-N 0 0 229.327 2.243 10 30 BEEERN CCCOc1cc(N(C)CCC#N)ccc1N ZINC000104244978 169315652 /nfs/dbraw/zinc/31/56/52/169315652.db2.gz VNBRFPGONOFCOE-UHFFFAOYSA-N 0 0 233.315 2.407 10 30 BEEERN CCC[C@@H](C#N)N1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000040222366 169342865 /nfs/dbraw/zinc/34/28/65/169342865.db2.gz GZLXVBCWAIQJPW-GWCFXTLKSA-N 0 0 236.315 2.100 10 30 BEEERN CCC[C@@H](C#N)C(=O)Nc1cnn(C(C)C)c1 ZINC000061683765 169342932 /nfs/dbraw/zinc/34/29/32/169342932.db2.gz KTYOIHTWYZQDGB-JTQLQIEISA-N 0 0 234.303 2.342 10 30 BEEERN CCCOc1ccc([C@@H](C#N)NC)cc1 ZINC000020176378 169320963 /nfs/dbraw/zinc/32/09/63/169320963.db2.gz IZUNRWGVTKPZMJ-GFCCVEGCSA-N 0 0 204.273 2.259 10 30 BEEERN CCCOc1ccc([C@H](C#N)NCCOC)cc1 ZINC000020176418 169321702 /nfs/dbraw/zinc/32/17/02/169321702.db2.gz AFRMUBFQAGAIFR-AWEZNQCLSA-N 0 0 248.326 2.276 10 30 BEEERN CCCSCc1cccc(/C(N)=N/O)c1 ZINC000019870327 169339390 /nfs/dbraw/zinc/33/93/90/169339390.db2.gz DBUZRWDFVGYEJP-UHFFFAOYSA-N 0 0 224.329 2.424 10 30 BEEERN CCC[C@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1C#N ZINC000231662605 169534951 /nfs/dbraw/zinc/53/49/51/169534951.db2.gz HRSDHUQSHUJTRM-KWQFWETISA-N 0 0 246.270 2.462 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@@](C)(C#N)CC ZINC000233303787 535462321 /nfs/dbraw/zinc/46/23/21/535462321.db2.gz CYFLLXUJEAVNGD-JFGNBEQYSA-N 0 0 208.305 2.231 10 30 BEEERN CC(C)(C)OCc1ccc(C#CCO)cc1F ZINC000049621481 166684958 /nfs/dbraw/zinc/68/49/58/166684958.db2.gz WOQGAALFKHDSCI-UHFFFAOYSA-N 0 0 236.286 2.485 10 30 BEEERN CC(C)(C)Sc1ncc(N)cc1C#N ZINC000037759434 166691952 /nfs/dbraw/zinc/69/19/52/166691952.db2.gz JTESENHHZGVJFO-UHFFFAOYSA-N 0 0 207.302 2.426 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCCS1 ZINC000226989240 134371114 /nfs/dbraw/zinc/37/11/14/134371114.db2.gz YKQTVHKRZNXOLY-DCAQKATOSA-N 0 0 238.356 2.081 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000188504869 383838329 /nfs/dbraw/zinc/83/83/29/383838329.db2.gz MHEKQOMBDKKFAP-VXGBXAGGSA-N 0 0 225.332 2.226 10 30 BEEERN C=CC[C@H](C)NC(=O)CCc1ccccc1O ZINC000116863083 383939370 /nfs/dbraw/zinc/93/93/70/383939370.db2.gz HLSTVIVUERVUKG-NSHDSACASA-N 0 0 233.311 2.406 10 30 BEEERN CCN(CC#N)C[C@H]1Cc2ccccc21 ZINC000090976999 384079696 /nfs/dbraw/zinc/07/96/96/384079696.db2.gz CQNCNPNXLSLOPE-GFCCVEGCSA-N 0 0 200.285 2.172 10 30 BEEERN COC(=O)c1ccc([C@H](C)CC=O)cc1 ZINC000039117774 384105807 /nfs/dbraw/zinc/10/58/07/384105807.db2.gz VDYPHDVJASDKFN-SECBINFHSA-N 0 0 206.241 2.166 10 30 BEEERN COc1cc(Br)c(CC#N)cc1O ZINC000039292997 384110227 /nfs/dbraw/zinc/11/02/27/384110227.db2.gz UPHQIVSVNWADRR-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN O=C(C=Cc1ccc(F)cc1)Nc1nc[nH]n1 ZINC000006863145 384168978 /nfs/dbraw/zinc/16/89/78/384168978.db2.gz OILPUZDQQYNNLR-ZZXKWVIFSA-N 0 0 232.218 2.245 10 30 BEEERN O=C[C@@]1(c2ccncc2)Cc2ccccc2N1 ZINC000095931787 384410089 /nfs/dbraw/zinc/41/00/89/384410089.db2.gz QBQNABJZKXRNEQ-CQSZACIVSA-N 0 0 224.263 2.144 10 30 BEEERN N#CCc1ccc([N+](=O)[O-])c(OC(F)F)c1F ZINC000575660918 384411666 /nfs/dbraw/zinc/41/16/66/384411666.db2.gz BTTNDYRNBLOFCG-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN COc1cc(C=O)cc(CC#N)c1OC(F)F ZINC000575661202 384416067 /nfs/dbraw/zinc/41/60/67/384416067.db2.gz HPDLMUGDNPNUAT-UHFFFAOYSA-N 0 0 241.193 2.175 10 30 BEEERN N#Cc1cc(F)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575661680 384417750 /nfs/dbraw/zinc/41/77/50/384417750.db2.gz TUEWYXJFECEXSJ-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)NCC1(CC#N)CC1 ZINC000404262838 384430815 /nfs/dbraw/zinc/43/08/15/384430815.db2.gz SPXDBFAISHYGSV-MNOVXSKESA-N 0 0 220.316 2.233 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235600730 384466510 /nfs/dbraw/zinc/46/65/10/384466510.db2.gz UQJXSILASPSPAL-RITPCOANSA-N 0 0 243.719 2.257 10 30 BEEERN COC(=O)c1cc(Cl)c(OC)c(C#N)c1 ZINC000098179428 384499955 /nfs/dbraw/zinc/49/99/55/384499955.db2.gz CCRJCQCBZLEJRF-UHFFFAOYSA-N 0 0 225.631 2.007 10 30 BEEERN CC(C)(C#N)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000048439747 384489381 /nfs/dbraw/zinc/48/93/81/384489381.db2.gz SJVMFFJGOHCQPO-ZDUSSCGKSA-N 0 0 242.322 2.210 10 30 BEEERN Cc1cc(NCc2ccon2)c(C#N)c(C)n1 ZINC000148797708 384550343 /nfs/dbraw/zinc/55/03/43/384550343.db2.gz IVINHSBJMMFCBH-UHFFFAOYSA-N 0 0 228.255 2.170 10 30 BEEERN COc1c(Br)ccc(C#N)c1OC ZINC000258285134 384585194 /nfs/dbraw/zinc/58/51/94/384585194.db2.gz KOUQTFAJCBUNAC-UHFFFAOYSA-N 0 0 242.072 2.338 10 30 BEEERN COC(=O)[C@@H](S)Cc1ccc(C)cc1 ZINC000098210170 384603666 /nfs/dbraw/zinc/60/36/66/384603666.db2.gz IFWYWRLTEURWEQ-JTQLQIEISA-N 0 0 210.298 2.009 10 30 BEEERN FC(F)(F)C(F)(F)CCCOC[C@@H]1CO1 ZINC000098210591 384604595 /nfs/dbraw/zinc/60/45/95/384604595.db2.gz GFPZCNPMTKHOJZ-ZCFIWIBFSA-N 0 0 234.164 2.380 10 30 BEEERN COC(=O)C(Cl)=NNc1cccc(C)c1C ZINC000100333830 384633834 /nfs/dbraw/zinc/63/38/34/384633834.db2.gz XRPAMCIDDDDDJG-UVTDQMKNSA-N 0 0 240.690 2.441 10 30 BEEERN C[C@H]1CSC[C@]1(O)c1ccccc1C#N ZINC000521401034 384630034 /nfs/dbraw/zinc/63/00/34/384630034.db2.gz FAHGZSSLVMXUKO-JOYOIKCWSA-N 0 0 219.309 2.129 10 30 BEEERN COC(C/N=C\c1ccc(C)cc1)OC ZINC000100285596 384631841 /nfs/dbraw/zinc/63/18/41/384631841.db2.gz WKMBADJHEKNTCX-JYRVWZFOSA-N 0 0 207.273 2.033 10 30 BEEERN COC(=O)C(Cl)=NNc1ccc(Cl)cc1 ZINC000100333854 384634063 /nfs/dbraw/zinc/63/40/63/384634063.db2.gz WFLLLIXHIJPUCA-MDWZMJQESA-N 0 0 247.081 2.477 10 30 BEEERN N#Cc1cnc(NCCc2ccc(F)cc2)cn1 ZINC000106462076 384686789 /nfs/dbraw/zinc/68/67/89/384686789.db2.gz MEAKMLGGEXINFB-UHFFFAOYSA-N 0 0 242.257 2.142 10 30 BEEERN O=CC[C@H]1CC(=O)c2c(O)cccc2S1 ZINC000013736558 384753663 /nfs/dbraw/zinc/75/36/63/384753663.db2.gz LMAUFIVWQOTBKF-ZETCQYMHSA-N 0 0 222.265 2.028 10 30 BEEERN N#CCc1c(F)c(O)ccc1OC(F)(F)F ZINC000575703008 384763562 /nfs/dbraw/zinc/76/35/62/384763562.db2.gz CXMUKQBJTWPIGU-UHFFFAOYSA-N 0 0 235.136 2.496 10 30 BEEERN CC/C=C(/C)C(=O)NC1(C#N)CCCC1 ZINC000104525009 384832306 /nfs/dbraw/zinc/83/23/06/384832306.db2.gz DJDDFADMHKZEOG-POHAHGRESA-N 0 0 206.289 2.295 10 30 BEEERN N#CCN1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174381053 384785102 /nfs/dbraw/zinc/78/51/02/384785102.db2.gz JFUXTOJWDUKGRV-KGLIPLIRSA-N 0 0 230.311 2.098 10 30 BEEERN Cc1c(N)ccc(CC#N)c1Br ZINC000575715225 384870094 /nfs/dbraw/zinc/87/00/94/384870094.db2.gz XIKFTSUJTISDNS-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN CCOc1c(OC(F)F)ccc(N)c1CC#N ZINC000575716238 384874612 /nfs/dbraw/zinc/87/46/12/384874612.db2.gz OTVUZISZEXAFID-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN N#CCc1cc(N)c(OC(F)F)cc1F ZINC000575716934 384881318 /nfs/dbraw/zinc/88/13/18/384881318.db2.gz YNOVQISAQNTYCB-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN CCn1cc(C#N)c(=O)c2cc(F)cc(C)c21 ZINC000072237073 384840997 /nfs/dbraw/zinc/84/09/97/384840997.db2.gz JVCQXDAZERUDOZ-UHFFFAOYSA-N 0 0 230.242 2.341 10 30 BEEERN Cc1ccc(N)c(OC(F)F)c1CC#N ZINC000575717969 384888844 /nfs/dbraw/zinc/88/88/44/384888844.db2.gz WQUJBBHRKMDXJB-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN Cc1ccc(N)c(CC#N)c1Br ZINC000575714202 384860870 /nfs/dbraw/zinc/86/08/70/384860870.db2.gz DTKRWBFTRBLYTH-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN COc1c(Br)ccc(N)c1CC#N ZINC000575714745 384867014 /nfs/dbraw/zinc/86/70/14/384867014.db2.gz NCSCQRXBONVCSF-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN Cc1cc(N)c(Br)cc1CC#N ZINC000575715267 384869055 /nfs/dbraw/zinc/86/90/55/384869055.db2.gz ZEGJBFPNYPYQED-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN CS[C@@H](C)CC(=O)NC1(C#N)CCCC1 ZINC000118953707 384953928 /nfs/dbraw/zinc/95/39/28/384953928.db2.gz OSEWQATWWYBICG-VIFPVBQESA-N 0 0 226.345 2.081 10 30 BEEERN COc1cc(Cl)c(Cl)c(C#N)c1N ZINC000234917752 384901080 /nfs/dbraw/zinc/90/10/80/384901080.db2.gz LUUXMGXWVXLFKD-UHFFFAOYSA-N 0 0 217.055 2.456 10 30 BEEERN CC(C)COCCNc1ccc(C#N)nc1 ZINC000135503174 384987394 /nfs/dbraw/zinc/98/73/94/384987394.db2.gz WBRJZAQCVGKJQL-UHFFFAOYSA-N 0 0 219.288 2.038 10 30 BEEERN Cc1cc(C#N)cc(N[C@H]2CCO[C@H]2C2CC2)n1 ZINC000235970831 385001375 /nfs/dbraw/zinc/00/13/75/385001375.db2.gz BQGYHHMRXOGGAQ-JSGCOSHPSA-N 0 0 243.310 2.241 10 30 BEEERN N#Cc1csc(C(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000334142852 385029436 /nfs/dbraw/zinc/02/94/36/385029436.db2.gz OXKJHJVMVKIPPG-UWVGGRQHSA-N 0 0 232.308 2.244 10 30 BEEERN C=C[C@@H](C)NC(=O)[C@@H](C)COc1ccccc1 ZINC000127306367 385105810 /nfs/dbraw/zinc/10/58/10/385105810.db2.gz ACEBEFNJHFXHLJ-NWDGAFQWSA-N 0 0 233.311 2.392 10 30 BEEERN Cc1cc(N(C)C[C@@H]2CCCO2)c(C#N)c(C)n1 ZINC000157404911 385165402 /nfs/dbraw/zinc/16/54/02/385165402.db2.gz ZTMDLUWDQWYBOA-LBPRGKRZSA-N 0 0 245.326 2.185 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1snc(Cl)c1C#N ZINC000263924242 385178069 /nfs/dbraw/zinc/17/80/69/385178069.db2.gz XCVVHTJDXGYASY-XINAWCOVSA-N 0 0 213.693 2.488 10 30 BEEERN Cc1cccc(CNc2ncccc2C#N)n1 ZINC000048346449 385206515 /nfs/dbraw/zinc/20/65/15/385206515.db2.gz SSWMFKKKACARAI-UHFFFAOYSA-N 0 0 224.267 2.269 10 30 BEEERN C=CCN(CCO)c1ccc(C(F)(F)F)cn1 ZINC000157704253 385256092 /nfs/dbraw/zinc/25/60/92/385256092.db2.gz HDSDEJNFUIGDRH-UHFFFAOYSA-N 0 0 246.232 2.085 10 30 BEEERN C=CCN(CCO)c1cccc(C(F)(F)F)n1 ZINC000157705077 385256149 /nfs/dbraw/zinc/25/61/49/385256149.db2.gz YHNPGNVHXWGKMA-UHFFFAOYSA-N 0 0 246.232 2.085 10 30 BEEERN Cc1cc(C#N)cc(NC(=O)[C@H]2OCC[C@H]2C)c1 ZINC000308208547 385387358 /nfs/dbraw/zinc/38/73/58/385387358.db2.gz VEOOPOVHOGFFMX-MFKMUULPSA-N 0 0 244.294 2.230 10 30 BEEERN N#C[C@H](N)c1ccsc1Br ZINC000259537340 385568997 /nfs/dbraw/zinc/56/89/97/385568997.db2.gz FWQHUTDGPQDOQY-YFKPBYRVSA-N 0 0 217.091 2.034 10 30 BEEERN N#C[C@@H](N)c1ccsc1Br ZINC000259537339 385569303 /nfs/dbraw/zinc/56/93/03/385569303.db2.gz FWQHUTDGPQDOQY-RXMQYKEDSA-N 0 0 217.091 2.034 10 30 BEEERN CCc1cc(N[C@@H]2CCC[C@@H]2C#N)nc(C)n1 ZINC000408173029 385606132 /nfs/dbraw/zinc/60/61/32/385606132.db2.gz DPWMAWKOGRDCDX-ZYHUDNBSSA-N 0 0 230.315 2.452 10 30 BEEERN CN[C@H](C#N)c1c(F)cccc1Br ZINC000306967926 385730353 /nfs/dbraw/zinc/73/03/53/385730353.db2.gz HBKMCHSLUZLNQG-MRVPVSSYSA-N 0 0 243.079 2.372 10 30 BEEERN C[C@H]1CCC[C@H](C)N(c2nccc(C#N)n2)C1 ZINC000408459485 385724984 /nfs/dbraw/zinc/72/49/84/385724984.db2.gz YBADIFVXWNAUSZ-QWRGUYRKSA-N 0 0 230.315 2.363 10 30 BEEERN COC(=O)c1cc(Cl)cc(C#N)c1OC ZINC000260415541 385842538 /nfs/dbraw/zinc/84/25/38/385842538.db2.gz GJGSZLQAQSDYHY-UHFFFAOYSA-N 0 0 225.631 2.007 10 30 BEEERN CCN1CCOCC[C@@H]1c1ccccc1C#N ZINC000616598341 385871417 /nfs/dbraw/zinc/87/14/17/385871417.db2.gz KZZXGFXQTNUVFG-CQSZACIVSA-N 0 0 230.311 2.342 10 30 BEEERN N#C[C@H](N)c1ccc(OC(F)(F)F)c(F)c1 ZINC000095683696 385875084 /nfs/dbraw/zinc/87/50/84/385875084.db2.gz LSJBYRRKBIAXLW-ZETCQYMHSA-N 0 0 234.152 2.248 10 30 BEEERN N#Cc1ccc(C(F)(F)F)c(N)c1F ZINC000260889578 385992798 /nfs/dbraw/zinc/99/27/98/385992798.db2.gz WJTMGZDZSHUBFT-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN N#C[C@]1(Cc2cccs2)CCCCN1 ZINC000260755273 385952674 /nfs/dbraw/zinc/95/26/74/385952674.db2.gz XHCLVIPGHLVFPM-LLVKDONJSA-N 0 0 206.314 2.326 10 30 BEEERN CC(C)[C@H](C)CC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408332142 386095039 /nfs/dbraw/zinc/09/50/39/386095039.db2.gz UYVLJFXOKGZYAW-GRYCIOLGSA-N 0 0 222.332 2.477 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)[C@H]1CCC[C@@H]1C ZINC000230170074 134485372 /nfs/dbraw/zinc/48/53/72/134485372.db2.gz PTLLORXVGIXRNV-WOPDTQHZSA-N 0 0 222.332 2.431 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000087100099 386221396 /nfs/dbraw/zinc/22/13/96/386221396.db2.gz UFZIZJUZQNGSDK-XCBNKYQSSA-N 0 0 217.228 2.287 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCCCC1 ZINC000091971278 386315454 /nfs/dbraw/zinc/31/54/54/386315454.db2.gz CYSBFHBBMQYYNW-NWDGAFQWSA-N 0 0 235.331 2.264 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCCCCC1 ZINC000091971279 386316330 /nfs/dbraw/zinc/31/63/30/386316330.db2.gz CYSBFHBBMQYYNW-RYUDHWBXSA-N 0 0 235.331 2.264 10 30 BEEERN C#CCN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000191119726 386377019 /nfs/dbraw/zinc/37/70/19/386377019.db2.gz ZJGVUBGPBRYCBX-MNOVXSKESA-N 0 0 249.260 2.160 10 30 BEEERN C#CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000191119739 386377642 /nfs/dbraw/zinc/37/76/42/386377642.db2.gz ZJGVUBGPBRYCBX-WDEREUQCSA-N 0 0 249.260 2.160 10 30 BEEERN C#CCNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000026525144 533172223 /nfs/dbraw/zinc/17/22/23/533172223.db2.gz ZXUUABUAQNMNPQ-VIFPVBQESA-N 0 0 236.702 2.333 10 30 BEEERN C/C=C/C(=O)c1ccc(N2CCOCC2)cc1 ZINC000575242964 386423715 /nfs/dbraw/zinc/42/37/15/386423715.db2.gz MMWYQLKFOFDSLM-NSCUHMNNSA-N 0 0 231.295 2.282 10 30 BEEERN C#CCNC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000048389354 533172273 /nfs/dbraw/zinc/17/22/73/533172273.db2.gz SIFHWJLUCIUTNE-NSHDSACASA-N 0 0 230.311 2.242 10 30 BEEERN N#CCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000408371367 386508335 /nfs/dbraw/zinc/50/83/35/386508335.db2.gz WWYWDSDDALYIEA-VXGBXAGGSA-N 0 0 220.316 2.233 10 30 BEEERN C=C(C)CNc1ncncc1Br ZINC000122802390 386519435 /nfs/dbraw/zinc/51/94/35/386519435.db2.gz FXWYDLTZSXTZLZ-UHFFFAOYSA-N 0 0 228.093 2.227 10 30 BEEERN C#Cc1ccncc1NC(=O)OC(C)(C)C ZINC000095761550 386539158 /nfs/dbraw/zinc/53/91/58/386539158.db2.gz USDSXQHLSQTXNJ-UHFFFAOYSA-N 0 0 218.256 2.410 10 30 BEEERN C=CC[C@H](O)[C@@H]1SCCS[C@@H]1C ZINC000228092218 386542327 /nfs/dbraw/zinc/54/23/27/386542327.db2.gz VFCYXJMHPLZQKL-HRDYMLBCSA-N 0 0 204.360 2.161 10 30 BEEERN COC(=O)c1cc(OC(F)(F)F)ccc1C#N ZINC000575345085 386711438 /nfs/dbraw/zinc/71/14/38/386711438.db2.gz VSACMHUANMECDG-UHFFFAOYSA-N 0 0 245.156 2.243 10 30 BEEERN CCOC(=O)Cc1c(C#N)cc(F)cc1CC ZINC000575344428 386690591 /nfs/dbraw/zinc/69/05/91/386690591.db2.gz FSUBLFJFERRLMQ-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN COC(=O)c1cc(C#N)c(OC)c(C(F)F)c1 ZINC000575343633 386690735 /nfs/dbraw/zinc/69/07/35/386690735.db2.gz UBARRKFPOWICFJ-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1cc(OC)c(C#N)cc1C(F)F ZINC000575343529 386691483 /nfs/dbraw/zinc/69/14/83/386691483.db2.gz FBAYSCVJFQKOGJ-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1cccc(OC(F)(F)F)c1C#N ZINC000575345131 386712232 /nfs/dbraw/zinc/71/22/32/386712232.db2.gz XJIAHYVQWXLZON-UHFFFAOYSA-N 0 0 245.156 2.243 10 30 BEEERN CS[C@@H]1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC000124966087 386753018 /nfs/dbraw/zinc/75/30/18/386753018.db2.gz ZSVODJSGAIIQRU-MWLCHTKSSA-N 0 0 248.355 2.434 10 30 BEEERN C=CCNc1cc(C)nc2c(C)n[nH]c21 ZINC000018117544 386761391 /nfs/dbraw/zinc/76/13/91/386761391.db2.gz JHKDGVCXTNLIJG-UHFFFAOYSA-N 0 0 202.261 2.173 10 30 BEEERN CCOC(=O)c1c(O)c(C(F)F)ccc1C#N ZINC000575387367 386947042 /nfs/dbraw/zinc/94/70/42/386947042.db2.gz CUVXTEOWGHOIBT-UHFFFAOYSA-N 0 0 241.193 2.378 10 30 BEEERN COC(=O)c1cc(F)c(C#N)cc1OC(F)F ZINC000575385731 386947176 /nfs/dbraw/zinc/94/71/76/386947176.db2.gz HJRJTOVDQPPOIX-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN CCOC(=O)Cc1ccc(C=O)c(C#N)c1CC ZINC000575387601 386947495 /nfs/dbraw/zinc/94/74/95/386947495.db2.gz KIECRZGUXQURLJ-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCc1cc(C#N)cc(CC(=O)OC)c1CC ZINC000575385488 386944752 /nfs/dbraw/zinc/94/47/52/386944752.db2.gz UTOYUMOBRQHKSG-UHFFFAOYSA-N 0 0 231.295 2.399 10 30 BEEERN COC(=O)c1c(C#N)ccc(C)c1OC(F)F ZINC000575388825 386952838 /nfs/dbraw/zinc/95/28/38/386952838.db2.gz WXFJGMIMHNDXFE-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN CCOC(=O)c1cc(CC)c(C#N)cc1[N+](=O)[O-] ZINC000575388790 386953010 /nfs/dbraw/zinc/95/30/10/386953010.db2.gz FXBIMAFHRHLCDC-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN COC(=O)Cc1c(F)ccc(C(F)F)c1C#N ZINC000575389388 386953379 /nfs/dbraw/zinc/95/33/79/386953379.db2.gz FOKWRBUMTPIBFJ-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN CCOC(=O)c1ccc([N+](=O)[O-])c(CC)c1C#N ZINC000575388793 386953393 /nfs/dbraw/zinc/95/33/93/386953393.db2.gz GBUOJPNXDZMYIT-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOC(=O)c1c(C#N)ccc(CC)c1[N+](=O)[O-] ZINC000575388964 386953627 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N#CCc1nc(F)ccc1OC(F)(F)F ZINC000238532920 387874503 /nfs/dbraw/zinc/87/45/03/387874503.db2.gz NKSHIKUBQCGGOF-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN CCc1c(C#N)cc(OC)cc1CC#N ZINC000575644058 387871286 /nfs/dbraw/zinc/87/12/86/387871286.db2.gz FQEBXEKCUNCNJR-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN N#CCc1cc(OC(F)F)ccc1F ZINC000238527524 387872024 /nfs/dbraw/zinc/87/20/24/387872024.db2.gz RYBGGUXLRJPOJU-UHFFFAOYSA-N 0 0 201.147 2.493 10 30 BEEERN Cc1cnc(OC(F)(F)F)c(CC#N)c1 ZINC000238535332 387872336 /nfs/dbraw/zinc/87/23/36/387872336.db2.gz ODRKTCOMUNHCFV-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN COc1ccc(CC#N)c(OC)c1OC(F)F ZINC000575652864 387892673 /nfs/dbraw/zinc/89/26/73/387892673.db2.gz MGWXXZYWGFTEBK-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN CCc1c(O)c(C#N)ccc1OC(F)F ZINC000575653380 387896798 /nfs/dbraw/zinc/89/67/98/387896798.db2.gz GDWIAQOKSBPBDD-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCc1cc(C#N)cc(OC(F)F)c1O ZINC000575654314 387897323 /nfs/dbraw/zinc/89/73/23/387897323.db2.gz YJGOLQQXGFCVFC-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCOc1cc(C#N)cc(F)c1CC#N ZINC000575645782 387876241 /nfs/dbraw/zinc/87/62/41/387876241.db2.gz SNXGBPCEIUZIAV-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN Cc1cc(C)c(OCC/C(N)=N/O)c(C)c1 ZINC000040678105 177868522 /nfs/dbraw/zinc/86/85/22/177868522.db2.gz QKWCSSQISDOPJW-UHFFFAOYSA-N 0 0 222.288 2.127 10 30 BEEERN CCOc1cc(CC#N)c(C#N)cc1C ZINC000575649239 387886214 /nfs/dbraw/zinc/88/62/14/387886214.db2.gz PDOIQRCSEGQCJQ-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN CCOc1cc(CC#N)cc(C#N)c1C ZINC000575649053 387886831 /nfs/dbraw/zinc/88/68/31/387886831.db2.gz NQWUYTQVMHGXMK-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN C=CCN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000195511905 387923525 /nfs/dbraw/zinc/92/35/25/387923525.db2.gz RCGJGSUAOWLYBG-GFCCVEGCSA-N 0 0 246.358 2.327 10 30 BEEERN CC1(C)C[C@H]1c1noc(-c2cc(C#N)c[nH]2)n1 ZINC000230996184 388376879 /nfs/dbraw/zinc/37/68/79/388376879.db2.gz OKMRFMVSUJVZRL-QMMMGPOBSA-N 0 0 228.255 2.450 10 30 BEEERN CCOC(=O)c1c(C=O)ccc(CC)c1C#N ZINC000575387526 388463183 /nfs/dbraw/zinc/46/31/83/388463183.db2.gz BVEFCHQMWUFHHI-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN CCOC(=O)c1cc(C#N)c(OC)cc1CC ZINC000575387991 388467697 /nfs/dbraw/zinc/46/76/97/388467697.db2.gz IJRUEEFHSGSYFP-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN COC(=O)c1c(OC(F)F)ccc(C)c1C#N ZINC000575388845 388471422 /nfs/dbraw/zinc/47/14/22/388471422.db2.gz YMSPSANZOLRXKK-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN Cc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000170828575 388471979 /nfs/dbraw/zinc/47/19/79/388471979.db2.gz NWTBHNBKWCXSIJ-GXSJLCMTSA-N 0 0 229.283 2.397 10 30 BEEERN CC(C)(C)OC(=O)NC(C)(C)CS ZINC000039093355 388407708 /nfs/dbraw/zinc/40/77/08/388407708.db2.gz XICWIXHBBILNLD-UHFFFAOYSA-N 0 0 205.323 2.220 10 30 BEEERN N#Cc1ccc(CN2CCO[C@H]3CCCC[C@H]32)o1 ZINC000245544852 388423234 /nfs/dbraw/zinc/42/32/34/388423234.db2.gz SQVCGWBYPWWOBA-KGLIPLIRSA-N 0 0 246.310 2.295 10 30 BEEERN CC[C@@H](C)n1nc(SC)c(C#N)c1N ZINC000040930755 388428259 /nfs/dbraw/zinc/42/82/59/388428259.db2.gz CQNPFGXAXFDIRH-ZCFIWIBFSA-N 0 0 210.306 2.030 10 30 BEEERN CC[C@H](C)CC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000253197125 388586273 /nfs/dbraw/zinc/58/62/73/388586273.db2.gz ACVMDTNQFMNMMI-GARJFASQSA-N 0 0 208.305 2.231 10 30 BEEERN CC(=O)Nc1ccc(C(=O)[C@H](C)CC#N)cc1 ZINC000082296812 388586866 /nfs/dbraw/zinc/58/68/66/388586866.db2.gz CTVBMXSZFOXLEH-SECBINFHSA-N 0 0 230.267 2.377 10 30 BEEERN CCCc1noc(Cc2ccc(C#N)cc2)n1 ZINC000225262875 388599131 /nfs/dbraw/zinc/59/91/31/388599131.db2.gz HCHITRBQLPTBNY-UHFFFAOYSA-N 0 0 227.267 2.485 10 30 BEEERN CCC[C@@H]1C[C@@H]1Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000297274161 388602534 /nfs/dbraw/zinc/60/25/34/388602534.db2.gz WZSFWTVULZWYOM-ZJUUUORDSA-N 0 0 246.270 2.462 10 30 BEEERN COC(=O)c1ccc(C=O)c(C#N)c1C(F)F ZINC000575389993 388569702 /nfs/dbraw/zinc/56/97/02/388569702.db2.gz YURSLBJCCQEYLD-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN CCOC(=O)Cc1c(F)c(C#N)ccc1CC ZINC000575390152 388573229 /nfs/dbraw/zinc/57/32/29/388573229.db2.gz WUWSXASIASXOEQ-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN C[C@@H]1SCC[C@]1(O)c1cccc(C#N)c1 ZINC000521401563 388672483 /nfs/dbraw/zinc/67/24/83/388672483.db2.gz JBCFWRDTCPEFJB-JOYOIKCWSA-N 0 0 219.309 2.271 10 30 BEEERN Cn1cc(Oc2snc(Cl)c2C#N)cn1 ZINC000302319105 388620301 /nfs/dbraw/zinc/62/03/01/388620301.db2.gz QZFJRQYKZUCECO-UHFFFAOYSA-N 0 0 240.675 2.194 10 30 BEEERN NC(=O)c1ccccc1N=Cc1ccccc1O ZINC000254293046 388635156 /nfs/dbraw/zinc/63/51/56/388635156.db2.gz QKIRYDVOAWCTIC-UHFFFAOYSA-N 0 0 240.262 2.242 10 30 BEEERN CN(C[C@H]1CCCO1)c1cccc(F)c1C#N ZINC000112214034 388664829 /nfs/dbraw/zinc/66/48/29/388664829.db2.gz MFLUSQCMMFXCQY-SNVBAGLBSA-N 0 0 234.274 2.313 10 30 BEEERN C=C[C@@H](NC)c1ncsc1Br ZINC000575453663 388752602 /nfs/dbraw/zinc/75/26/02/388752602.db2.gz CRNZNNHHMODVNZ-RXMQYKEDSA-N 0 0 233.134 2.352 10 30 BEEERN C[C@H]1CCC[C@H]1C(=O)NCCCCC#N ZINC000230057731 388810989 /nfs/dbraw/zinc/81/09/89/388810989.db2.gz NZSONDLFYWJUAW-WDEREUQCSA-N 0 0 208.305 2.233 10 30 BEEERN C=CCSCCNC(=O)N[C@H](C)C(C)C ZINC000194561919 388820491 /nfs/dbraw/zinc/82/04/91/388820491.db2.gz NHBICYNGOPZFCW-SNVBAGLBSA-N 0 0 230.377 2.249 10 30 BEEERN CC(C)(C)[C@@H](O)COc1ccc(C#N)cc1F ZINC000283074912 388821950 /nfs/dbraw/zinc/82/19/50/388821950.db2.gz PNQUQNHNEJVGRT-LBPRGKRZSA-N 0 0 237.274 2.483 10 30 BEEERN C[C@H]1CC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495966 388964931 /nfs/dbraw/zinc/96/49/31/388964931.db2.gz GTEKBENNOQBPHI-KWQFWETISA-N 0 0 210.277 2.203 10 30 BEEERN C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302740469 132265715 /nfs/dbraw/zinc/26/57/15/132265715.db2.gz QXRKQSITGDNSCE-SECBINFHSA-N 0 0 246.270 2.240 10 30 BEEERN Cc1ccc(N2CCS[C@@H](C)C2)nc1C#N ZINC000302689678 132265887 /nfs/dbraw/zinc/26/58/87/132265887.db2.gz ZCOLKFLNFJAARE-JTQLQIEISA-N 0 0 233.340 2.203 10 30 BEEERN C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000302756046 132266219 /nfs/dbraw/zinc/26/62/19/132266219.db2.gz WQYVMQWKWGFNTH-VIFPVBQESA-N 0 0 246.270 2.098 10 30 BEEERN N#Cc1cccc(N2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000081618758 132310201 /nfs/dbraw/zinc/31/02/01/132310201.db2.gz KSCAARBHDLDRBN-STQMWFEESA-N 0 0 243.310 2.101 10 30 BEEERN C[C@H]1C[C@H](C)CN(c2ccccc2/C(N)=N/O)C1 ZINC000020075991 132329722 /nfs/dbraw/zinc/32/97/22/132329722.db2.gz UIBSUUSULYCHHH-QWRGUYRKSA-N 0 0 247.342 2.263 10 30 BEEERN C[C@@H]1CN(c2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000036886432 132342847 /nfs/dbraw/zinc/34/28/47/132342847.db2.gz OIZWFBVKNXUGNB-NXEZZACHSA-N 0 0 234.274 2.311 10 30 BEEERN CC[C@@H]1CCCN(c2ncc(N)cc2C#N)C1 ZINC000037759162 132345603 /nfs/dbraw/zinc/34/56/03/132345603.db2.gz OWLWVAJSXYTJLD-SNVBAGLBSA-N 0 0 230.315 2.162 10 30 BEEERN C[C@@H]1C[C@H](C)CN(c2ncc(N)cc2C#N)C1 ZINC000037758804 132345619 /nfs/dbraw/zinc/34/56/19/132345619.db2.gz JHNKIPWZCRYKJQ-AOOOYVTPSA-N 0 0 230.315 2.018 10 30 BEEERN N#CCCCCN1C(=O)COc2ccccc21 ZINC000049579465 132356217 /nfs/dbraw/zinc/35/62/17/132356217.db2.gz NQGBNBPXIMFICB-UHFFFAOYSA-N 0 0 230.267 2.106 10 30 BEEERN Cc1ccc(C#N)c(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000051597009 132361518 /nfs/dbraw/zinc/36/15/18/132361518.db2.gz RJXKDKAHTXKKPK-TXEJJXNPSA-N 0 0 230.311 2.480 10 30 BEEERN O=C[C@@H]1CCCCN1c1ncnc2ccccc21 ZINC000054268368 132363905 /nfs/dbraw/zinc/36/39/05/132363905.db2.gz RUCDENDVDFQXII-NSHDSACASA-N 0 0 241.294 2.188 10 30 BEEERN O=C[C@@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000054268611 132364116 /nfs/dbraw/zinc/36/41/16/132364116.db2.gz XQDYRCKAQTVIEX-LLVKDONJSA-N 0 0 241.294 2.045 10 30 BEEERN C=CCCCSc1n[nH]c(=O)n1CCC ZINC000117547841 133448978 /nfs/dbraw/zinc/44/89/78/133448978.db2.gz HFCMCUQRNSCALN-UHFFFAOYSA-N 0 0 227.333 2.452 10 30 BEEERN CC(C)c1nccc(N[C@@H]2CCC[C@@H]2C#N)n1 ZINC000408331749 133470941 /nfs/dbraw/zinc/47/09/41/133470941.db2.gz ZKPRZTPHMFHYOQ-GHMZBOCLSA-N 0 0 230.315 2.126 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000300239657 133495631 /nfs/dbraw/zinc/49/56/31/133495631.db2.gz AKNNIRUWMXYZPO-NOOOWODRSA-N 0 0 220.316 2.231 10 30 BEEERN N#CCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000274172864 133546956 /nfs/dbraw/zinc/54/69/56/133546956.db2.gz IZTZDKYZFQMEIW-SECBINFHSA-N 0 0 235.312 2.110 10 30 BEEERN Cc1ccc(C#N)c(N2C[C@H]3CCC[C@@H]32)n1 ZINC000334397308 133627105 /nfs/dbraw/zinc/62/71/05/133627105.db2.gz CPYDIHTUWBTAQW-NEPJUHHUSA-N 0 0 213.284 2.250 10 30 BEEERN C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCc2cccnc21 ZINC000329175132 133962049 /nfs/dbraw/zinc/96/20/49/133962049.db2.gz BJZNUKZOIGHNHP-WCQGTBRESA-N 0 0 246.310 2.245 10 30 BEEERN Cc1cnc([C@@H](C)NC(=O)C2(C)COC2)o1 ZINC000329472407 133963422 /nfs/dbraw/zinc/96/34/22/133963422.db2.gz SGDDGTVAGKPPKC-MRVPVSSYSA-N 0 0 224.260 2.037 10 30 BEEERN C[C@@H](NC(=O)N[C@@H]1CCO[C@@H]1C)C1CCCC1 ZINC000330197029 133998108 /nfs/dbraw/zinc/99/81/08/133998108.db2.gz RGDYGCFFLLBFCC-CKYFFXLPSA-N 0 0 240.347 2.246 10 30 BEEERN O=C(NC1CC(F)(F)C1)[C@@H]1CCCC(=O)N1 ZINC000330237987 133998920 /nfs/dbraw/zinc/99/89/20/133998920.db2.gz ASAJXXBGDZJWAE-ZETCQYMHSA-N 0 0 232.230 2.250 10 30 BEEERN Cc1oc(C#N)cc1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000336155354 134105878 /nfs/dbraw/zinc/10/58/78/134105878.db2.gz BABFJAYCOCLPEP-BXKDBHETSA-N 0 0 230.267 2.084 10 30 BEEERN N#CC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302794221 134158112 /nfs/dbraw/zinc/15/81/12/134158112.db2.gz IDGGPMFSKNGHPX-UHFFFAOYSA-N 0 0 249.245 2.474 10 30 BEEERN C=CCCOCCNC(=O)NC1(CC)CCC1 ZINC000122373129 134238658 /nfs/dbraw/zinc/23/86/58/134238658.db2.gz CPCPDOXNOKDTLI-UHFFFAOYSA-N 0 0 240.347 2.211 10 30 BEEERN C#CCCCCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000179773849 134323258 /nfs/dbraw/zinc/32/32/58/134323258.db2.gz UUFCCMBTXFAMPD-ZIAGYGMSSA-N 0 0 249.354 2.350 10 30 BEEERN C#CCCCCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000179773811 134323496 /nfs/dbraw/zinc/32/34/96/134323496.db2.gz UUFCCMBTXFAMPD-KBPBESRZSA-N 0 0 249.354 2.350 10 30 BEEERN C[C@H](CC(=O)N[C@@H](C)CC#N)C(C)(C)C ZINC000111617669 134408773 /nfs/dbraw/zinc/40/87/73/134408773.db2.gz CFPBXCRGXBXDKX-ZJUUUORDSA-N 0 0 210.321 2.477 10 30 BEEERN Cc1ccnc(N[C@@]2(C)CCCOC2)c1C#N ZINC000230088600 134480471 /nfs/dbraw/zinc/48/04/71/134480471.db2.gz GWPRZLSNYBFVCD-ZDUSSCGKSA-N 0 0 231.299 2.243 10 30 BEEERN N#CCN1CCC(Nc2ccccc2F)CC1 ZINC000128908019 134612228 /nfs/dbraw/zinc/61/22/28/134612228.db2.gz PNEOLNSDYPARIA-UHFFFAOYSA-N 0 0 233.290 2.226 10 30 BEEERN C=CCCC[C@H](C)NC(=O)CCc1ccnn1C ZINC000131473406 134630383 /nfs/dbraw/zinc/63/03/83/134630383.db2.gz ORMISEWUNOFQSE-LBPRGKRZSA-N 0 0 249.358 2.214 10 30 BEEERN Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061888663 134802709 /nfs/dbraw/zinc/80/27/09/134802709.db2.gz QHGCDEWKGQSHIQ-NXEZZACHSA-N 0 0 234.324 2.479 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1ccccc1F ZINC000061888597 134803081 /nfs/dbraw/zinc/80/30/81/134803081.db2.gz UODOWMOWRQJOBR-WCQYABFASA-N 0 0 246.285 2.177 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1cccc(F)c1 ZINC000061888898 134804381 /nfs/dbraw/zinc/80/43/81/134804381.db2.gz YBZKSDOYHBYGMH-AAEUAGOBSA-N 0 0 246.285 2.177 10 30 BEEERN CCCc1nnc(NC[C@@H](C)C#N)s1 ZINC000302059293 134856895 /nfs/dbraw/zinc/85/68/95/134856895.db2.gz SBFAROIHVKYPSY-ZETCQYMHSA-N 0 0 210.306 2.062 10 30 BEEERN C=CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C ZINC000302117098 134857096 /nfs/dbraw/zinc/85/70/96/134857096.db2.gz DEOOBKYGJBOFFH-JTQLQIEISA-N 0 0 236.271 2.252 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1cnn2ccccc12 ZINC000071373560 134931154 /nfs/dbraw/zinc/93/11/54/134931154.db2.gz CDDNGUFDZYOADU-YPMHNXCESA-N 0 0 240.310 2.116 10 30 BEEERN CC[C@H](N[C@H](C)CC#N)c1nccs1 ZINC000070634247 135000791 /nfs/dbraw/zinc/00/07/91/135000791.db2.gz XYSLRFUJXPQOGB-BDAKNGLRSA-N 0 0 209.318 2.486 10 30 BEEERN C[C@H](C#N)N1CCC[C@@H](c2nccs2)C1 ZINC000248440631 135009867 /nfs/dbraw/zinc/00/98/67/135009867.db2.gz DEHUCWLKVFDXRV-NXEZZACHSA-N 0 0 221.329 2.235 10 30 BEEERN C[C@@H](Cc1ccccc1)C(=O)N[C@H](C#N)C1CC1 ZINC000112047878 135026801 /nfs/dbraw/zinc/02/68/01/135026801.db2.gz BQLZKSYCQNEQOR-SMDDNHRTSA-N 0 0 242.322 2.284 10 30 BEEERN C=CCNC(=O)c1cccc2ncccc21 ZINC000014287169 135044735 /nfs/dbraw/zinc/04/47/35/135044735.db2.gz VVWJMXCQJGSOJM-UHFFFAOYSA-N 0 0 212.252 2.151 10 30 BEEERN Cc1nn(C)c(Oc2ccccc2)c1C=NO ZINC000255962363 135097563 /nfs/dbraw/zinc/09/75/63/135097563.db2.gz AKGVMZJNWXUJBJ-UHFFFAOYSA-N 0 0 231.255 2.329 10 30 BEEERN CCOc1cc(C(=O)N[C@@H](C)CC#N)ccc1C ZINC000113159408 135229425 /nfs/dbraw/zinc/22/94/25/135229425.db2.gz KSXJJFFMLSKELI-NSHDSACASA-N 0 0 246.310 2.426 10 30 BEEERN CCS[C@@H]1CC[C@@H](Nc2nccnc2C#N)C1 ZINC000078586500 135394774 /nfs/dbraw/zinc/39/47/74/135394774.db2.gz RUPIWJMSYKMESV-NXEZZACHSA-N 0 0 248.355 2.434 10 30 BEEERN C#CCNC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182412322 135523719 /nfs/dbraw/zinc/52/37/19/135523719.db2.gz XPQUIPNDAJSARD-SMDDNHRTSA-N 0 0 242.322 2.161 10 30 BEEERN C=CCCCN(C)C(=O)c1ccc(N(C)C)nc1 ZINC000135091734 135551497 /nfs/dbraw/zinc/55/14/97/135551497.db2.gz ZVTDECOADGMOOK-UHFFFAOYSA-N 0 0 247.342 2.186 10 30 BEEERN C=CCCCN(C)C(=O)c1ccc(C)n1C ZINC000135652990 135580671 /nfs/dbraw/zinc/58/06/71/135580671.db2.gz VCYUIJSILAAKIU-UHFFFAOYSA-N 0 0 220.316 2.372 10 30 BEEERN CC[C@H]1C[C@H]1Nc1nc(C)ccc1C#N ZINC000231629807 135621536 /nfs/dbraw/zinc/62/15/36/135621536.db2.gz AZJDKYCJYRWSGF-GXSJLCMTSA-N 0 0 201.273 2.472 10 30 BEEERN CC1(C)CC[C@@H](n2cc(C#N)ccc2=O)C1 ZINC000335303440 136021412 /nfs/dbraw/zinc/02/14/12/136021412.db2.gz VVWITZIKMUZERX-LLVKDONJSA-N 0 0 216.284 2.471 10 30 BEEERN N#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)cc1 ZINC000335324334 136050942 /nfs/dbraw/zinc/05/09/42/136050942.db2.gz QRWQOBLQOUDNCZ-STQMWFEESA-N 0 0 226.279 2.183 10 30 BEEERN N#Cc1cscc1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000335346332 136066830 /nfs/dbraw/zinc/06/68/30/136066830.db2.gz LEDAQRCDPYNKTH-KWQFWETISA-N 0 0 232.308 2.244 10 30 BEEERN CC(C)[C@@H](CC#N)NC(=O)OC(C)(C)C ZINC000039093687 398075051 /nfs/dbraw/zinc/07/50/51/398075051.db2.gz KNWHKVBSGNXETQ-SECBINFHSA-N 0 0 212.293 2.449 10 30 BEEERN N#Cc1ccc2c(ccn2-c2ncccn2)c1 ZINC000584613910 398078117 /nfs/dbraw/zinc/07/81/17/398078117.db2.gz MTYIJDPYUPVGHB-UHFFFAOYSA-N 0 0 220.235 2.292 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1CCCCC1 ZINC000061889277 398107858 /nfs/dbraw/zinc/10/78/58/398107858.db2.gz CSJHFLWPPVBCRT-NWDGAFQWSA-N 0 0 220.316 2.375 10 30 BEEERN COc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1O ZINC000061891087 398108060 /nfs/dbraw/zinc/10/80/60/398108060.db2.gz IRMLBABOBVKWDT-VXGBXAGGSA-N 0 0 246.310 2.183 10 30 BEEERN CC(C)COCC(=O)Nc1cccc(C#N)c1 ZINC000019847393 167023218 /nfs/dbraw/zinc/02/32/18/167023218.db2.gz CUQBWQCMWFZXPO-UHFFFAOYSA-N 0 0 232.283 2.169 10 30 BEEERN CC(C)N[C@@H](C#N)c1ccc2c(c1)CCO2 ZINC000037363938 167129570 /nfs/dbraw/zinc/12/95/70/167129570.db2.gz OVSDVEMGIONKAE-LBPRGKRZSA-N 0 0 216.284 2.184 10 30 BEEERN CC(C)N[C@]1(C#N)CCc2ccccc2C1 ZINC000037460387 167142022 /nfs/dbraw/zinc/14/20/22/167142022.db2.gz MARKEKJTFZXOJS-CQSZACIVSA-N 0 0 214.312 2.436 10 30 BEEERN C=C[C@@H](C(=O)[O-])N(C)Cc1ccc(Cl)s1 ZINC000301047615 487571902 /nfs/dbraw/zinc/57/19/02/487571902.db2.gz PQLHOKDPAFUDBE-QMMMGPOBSA-N 0 0 245.731 2.473 10 30 BEEERN C#CCNC(=O)[C@@H](C)Nc1ccccc1CCC ZINC000049556424 166182376 /nfs/dbraw/zinc/18/23/76/166182376.db2.gz OWDIQGJTAPWACA-GFCCVEGCSA-N 0 0 244.338 2.189 10 30 BEEERN C#CCN[C@@H](C#N)c1cc(C)sc1C ZINC000051963255 166189987 /nfs/dbraw/zinc/18/99/87/166189987.db2.gz IZOXMWGPYFGFOZ-NSHDSACASA-N 0 0 204.298 2.152 10 30 BEEERN C#CCN[C@@H](C(=O)OC)c1c(C)cc(C)cc1C ZINC000051964070 166191014 /nfs/dbraw/zinc/19/10/14/166191014.db2.gz WHELCHLVIHCOSL-CQSZACIVSA-N 0 0 245.322 2.049 10 30 BEEERN C#CCN[C@]1(C#N)CCSc2ccccc21 ZINC000051962898 166192773 /nfs/dbraw/zinc/19/27/73/166192773.db2.gz NNYJZIHBSXVUCL-ZDUSSCGKSA-N 0 0 228.320 2.124 10 30 BEEERN C#Cc1cccc(NCc2cncnc2)c1 ZINC000054766829 166224048 /nfs/dbraw/zinc/22/40/48/166224048.db2.gz NNORDZJLHZKZQX-UHFFFAOYSA-N 0 0 209.252 2.070 10 30 BEEERN C=CCCCN(C)Cc1nnc(C)n1CC ZINC000172324545 166232726 /nfs/dbraw/zinc/23/27/26/166232726.db2.gz FKCGHGVJJZFYIQ-UHFFFAOYSA-N 0 0 222.336 2.004 10 30 BEEERN C=CCN(CC=C)C(=O)c1ccc(O)cc1 ZINC000019836648 166331689 /nfs/dbraw/zinc/33/16/89/166331689.db2.gz VXAGPECEABMZCA-UHFFFAOYSA-N 0 0 217.268 2.206 10 30 BEEERN C=CCN1c2ccc(N)cc2CCCC1=O ZINC000052924004 166350936 /nfs/dbraw/zinc/35/09/36/166350936.db2.gz FUIMUGIMZJICTL-UHFFFAOYSA-N 0 0 216.284 2.124 10 30 BEEERN C=CCN1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000090750621 166358432 /nfs/dbraw/zinc/35/84/32/166358432.db2.gz OOIQGFLBWNLAJF-ZDUSSCGKSA-N 0 0 248.282 2.154 10 30 BEEERN C=CCNC(=N)C(Cl)(Cl)Cl ZINC000169323776 166362077 /nfs/dbraw/zinc/36/20/77/166362077.db2.gz CIKIWZVYMSZUDT-UHFFFAOYSA-N 0 0 201.484 2.109 10 30 BEEERN C=CCNC(=O)CSCc1ccccc1F ZINC000057679964 166372066 /nfs/dbraw/zinc/37/20/66/166372066.db2.gz QSPVUYPDZISQDY-UHFFFAOYSA-N 0 0 239.315 2.361 10 30 BEEERN C=CC[NH2+]C1(C(=O)[O-])CCCCCCC1 ZINC000041732048 166396594 /nfs/dbraw/zinc/39/65/94/166396594.db2.gz AVMKZLIFNLWDSC-UHFFFAOYSA-N 0 0 211.305 2.330 10 30 BEEERN C=CCN[C@H](C#N)c1cc(F)c(F)c(F)c1 ZINC000062712746 166405426 /nfs/dbraw/zinc/40/54/26/166405426.db2.gz XIRIFWGUVNIJTH-SNVBAGLBSA-N 0 0 226.201 2.444 10 30 BEEERN C=CCN[C@](C(=O)OC)(c1ccccc1)C(C)C ZINC000051960993 166407775 /nfs/dbraw/zinc/40/77/75/166407775.db2.gz NHFYHFRDDUAKRP-HNNXBMFYSA-N 0 0 247.338 2.487 10 30 BEEERN C=CCNc1[nH+]c2c(cc1C(=O)[O-])CCCC2 ZINC000054528386 166410865 /nfs/dbraw/zinc/41/08/65/166410865.db2.gz KIBOWJMFPCLINH-UHFFFAOYSA-N 0 0 232.283 2.257 10 30 BEEERN CC(C)(C)OC(=O)N[C@H](C#N)c1ccc(O)cc1 ZINC000049836171 166667582 /nfs/dbraw/zinc/66/75/82/166667582.db2.gz VUIMQHMFWYAMGV-LLVKDONJSA-N 0 0 248.282 2.482 10 30 BEEERN CC(C)N[C@@H](C#N)COc1cc(F)cc(F)c1 ZINC000054933795 167129252 /nfs/dbraw/zinc/12/92/52/167129252.db2.gz MNCQOXYTJPRNSO-NSHDSACASA-N 0 0 240.253 2.234 10 30 BEEERN CC(C)N[C@H](C#N)c1ccc2c(c1)CCO2 ZINC000037363940 167136443 /nfs/dbraw/zinc/13/64/43/167136443.db2.gz OVSDVEMGIONKAE-GFCCVEGCSA-N 0 0 216.284 2.184 10 30 BEEERN CC(C)ON=C(N)c1ccccc1Cl ZINC000082533732 167151046 /nfs/dbraw/zinc/15/10/46/167151046.db2.gz ZWWRSBFTMPBCDK-UHFFFAOYSA-N 0 0 212.680 2.385 10 30 BEEERN CC(C)Oc1ccc2c(c1)OC/C2=N\O ZINC000062805488 167302372 /nfs/dbraw/zinc/30/23/72/167302372.db2.gz SMFSPPVMSZWEHH-ZRDIBKRKSA-N 0 0 207.229 2.045 10 30 BEEERN CC(C)Oc1ccnc(C#N)c1OC1CC1 ZINC000095724154 167312231 /nfs/dbraw/zinc/31/22/31/167312231.db2.gz XFWAONWVSOLHCJ-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)Oc1cncc(C#N)c1OC1CC1 ZINC000095725286 167313132 /nfs/dbraw/zinc/31/31/32/167313132.db2.gz LWELULUETHPPAK-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)Oc1nccc(C#N)c1OC1CC1 ZINC000095713994 167314823 /nfs/dbraw/zinc/31/48/23/167314823.db2.gz WLQAVRVHBSZCMR-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)[C@@H](C#N)C(=O)NCC1(C)CCCC1 ZINC000104444867 167340292 /nfs/dbraw/zinc/34/02/92/167340292.db2.gz GWOURDQQYNSHMX-LLVKDONJSA-N 0 0 222.332 2.479 10 30 BEEERN C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](CCC)C1 ZINC000652429033 411241967 /nfs/dbraw/zinc/24/19/67/411241967.db2.gz SMKDCFHEAISKDC-WDEREUQCSA-N 0 0 211.305 2.138 10 30 BEEERN CC1CCC(C#N)(NC[C@@H]2CCCO2)CC1 ZINC000037939986 168148922 /nfs/dbraw/zinc/14/89/22/168148922.db2.gz UXDBYSCODUPOEC-CPCZMJQVSA-N 0 0 222.332 2.227 10 30 BEEERN CC1CCN(Cc2cccnc2C#N)CC1 ZINC000061664189 168184373 /nfs/dbraw/zinc/18/43/73/168184373.db2.gz CRQHSNIVUYNIFU-UHFFFAOYSA-N 0 0 215.300 2.185 10 30 BEEERN CCC(=O)n1c(CC#N)nc2ccccc21 ZINC000075622585 168258660 /nfs/dbraw/zinc/25/86/60/168258660.db2.gz NJGCVMDYWDKEIU-UHFFFAOYSA-N 0 0 213.240 2.153 10 30 BEEERN C[C@H](C#N)Oc1ccc2c(c1)CCC2=O ZINC000232416151 411498822 /nfs/dbraw/zinc/49/88/22/411498822.db2.gz LNPMQOVVTTVWSI-MRVPVSSYSA-N 0 0 201.225 2.106 10 30 BEEERN CCN[C@@H](C#N)CCOc1ccc(OCC)cc1 ZINC000062445343 170138055 /nfs/dbraw/zinc/13/80/55/170138055.db2.gz PLWWXSLGMVURFV-GFCCVEGCSA-N 0 0 248.326 2.356 10 30 BEEERN CCNc1c(Cl)nnc(Cl)c1C#N ZINC000075627157 170171492 /nfs/dbraw/zinc/17/14/92/170171492.db2.gz DXIQYJRHFDVFRX-UHFFFAOYSA-N 0 0 217.059 2.087 10 30 BEEERN CCNc1nc(-c2ccncc2)ccc1C#N ZINC000050871488 170175322 /nfs/dbraw/zinc/17/53/22/170175322.db2.gz VBUAYTSDQYSADA-UHFFFAOYSA-N 0 0 224.267 2.447 10 30 BEEERN CCNc1nc2c(cc1C#N)CSCC2 ZINC000050871445 170176733 /nfs/dbraw/zinc/17/67/33/170176733.db2.gz BLFLQMKUFMLPFU-UHFFFAOYSA-N 0 0 219.313 2.174 10 30 BEEERN CCOC(=O)[C@@H](C)CN(C)c1cccc(C#N)c1 ZINC000061953956 170245517 /nfs/dbraw/zinc/24/55/17/170245517.db2.gz YQWHITYXWNACHJ-NSHDSACASA-N 0 0 246.310 2.194 10 30 BEEERN CCOC(=O)[C@@](C)(C#N)Cc1cccc(OC)c1 ZINC000057536214 170260558 /nfs/dbraw/zinc/26/05/58/170260558.db2.gz WKHAZGNXFPARQG-CQSZACIVSA-N 0 0 247.294 2.331 10 30 BEEERN CCOC(=O)[C@@](C)(C#N)Cc1ccccc1F ZINC000057525089 170260573 /nfs/dbraw/zinc/26/05/73/170260573.db2.gz UCDRMSBKXTVXMP-CYBMUJFWSA-N 0 0 235.258 2.461 10 30 BEEERN CCOC(=O)[C@H](C#N)Cc1cccc(C)c1 ZINC000074467853 170263022 /nfs/dbraw/zinc/26/30/22/170263022.db2.gz PAPTVLRXFKNJDF-LBPRGKRZSA-N 0 0 217.268 2.240 10 30 BEEERN CCOC(=O)[C@](C)(C#N)Cc1ccc(F)cc1 ZINC000057525098 170282723 /nfs/dbraw/zinc/28/27/23/170282723.db2.gz NGIQSPRDWXQVLK-ZDUSSCGKSA-N 0 0 235.258 2.461 10 30 BEEERN CCOC(=O)c1cccc([C@H](C)C#N)c1 ZINC000095916010 170299099 /nfs/dbraw/zinc/29/90/99/170299099.db2.gz PNFKSWIYJZJXIM-SECBINFHSA-N 0 0 203.241 2.490 10 30 BEEERN CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC ZINC000034182597 170302356 /nfs/dbraw/zinc/30/23/56/170302356.db2.gz UTWPOSSSSWNNMG-UHFFFAOYSA-N 0 0 243.266 2.105 10 30 BEEERN CCOC1=NOC(=O)OC12CCCCC2 ZINC000039099974 170320987 /nfs/dbraw/zinc/32/09/87/170320987.db2.gz XTIVBLYUBNIFSN-UHFFFAOYSA-N 0 0 213.233 2.206 10 30 BEEERN CCOc1cc([C@@H](N)C#N)ccc1OC(F)F ZINC000022214602 170528363 /nfs/dbraw/zinc/52/83/63/170528363.db2.gz QDEJCFUCVULLOM-QMMMGPOBSA-N 0 0 242.225 2.210 10 30 BEEERN CCOc1ccc(OCC)c(NCC#N)c1 ZINC000020044053 170556420 /nfs/dbraw/zinc/55/64/20/170556420.db2.gz LIQUVEXWCLGKFG-UHFFFAOYSA-N 0 0 220.272 2.419 10 30 BEEERN CCS[C@@H]1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC000125942844 170649967 /nfs/dbraw/zinc/64/99/67/170649967.db2.gz AAHDNVPIFQBEGN-MWLCHTKSSA-N 0 0 248.355 2.434 10 30 BEEERN CC[C@@H](C#N)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000044827657 170659494 /nfs/dbraw/zinc/65/94/94/170659494.db2.gz BYFAKOXOUUVVBF-SRVKXCTJSA-N 0 0 222.332 2.479 10 30 BEEERN CC[C@@H]1CC[C@H](C#N)[C@H](N2CCOCC2)C1 ZINC000037145625 171046315 /nfs/dbraw/zinc/04/63/15/171046315.db2.gz UCIBGSGEPMSBJP-JHJVBQTASA-N 0 0 222.332 2.037 10 30 BEEERN CC[C@H](C#N)C(=O)N[C@@H](C)Cc1ccc(F)cc1 ZINC000062034114 171218285 /nfs/dbraw/zinc/21/82/85/171218285.db2.gz GLCOHGAGGDAQBG-CMPLNLGQSA-N 0 0 248.301 2.423 10 30 BEEERN CC[C@H](C#N)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000051632427 171218493 /nfs/dbraw/zinc/21/84/93/171218493.db2.gz HIFQUWIOBZYYHI-RISCZKNCSA-N 0 0 242.322 2.210 10 30 BEEERN CC[C@H](C)CN(C)C(=O)[C@H](C#N)C(C)C ZINC000044822418 171270543 /nfs/dbraw/zinc/27/05/43/171270543.db2.gz BZDZFWVFBALKIK-WDEREUQCSA-N 0 0 210.321 2.287 10 30 BEEERN CC[C@H](C)CN(C)c1ncc(N)cc1C#N ZINC000037759056 171275405 /nfs/dbraw/zinc/27/54/05/171275405.db2.gz NPFBOOKAMJDBFZ-VIFPVBQESA-N 0 0 218.304 2.018 10 30 BEEERN CC[C@H](C)N(C)Cc1cccnc1C#N ZINC000061664284 171310136 /nfs/dbraw/zinc/31/01/36/171310136.db2.gz VRSYTLRZKSKQIU-JTQLQIEISA-N 0 0 203.289 2.184 10 30 BEEERN CC[C@H](C)N(CCOC)c1ccc(C#N)cn1 ZINC000042591862 171315357 /nfs/dbraw/zinc/31/53/57/171315357.db2.gz XELCRPGIJLXQNP-NSHDSACASA-N 0 0 233.315 2.205 10 30 BEEERN CC[C@H](C)NC(=O)CNc1cccc(F)c1C#N ZINC000036157875 171326017 /nfs/dbraw/zinc/32/60/17/171326017.db2.gz KSIMLHINWKUNLJ-VIFPVBQESA-N 0 0 249.289 2.024 10 30 BEEERN CC[C@H](C)N[C@@H](C#N)c1ccc(OC)c(O)c1 ZINC000038064261 171345015 /nfs/dbraw/zinc/34/50/15/171345015.db2.gz UOKRTXGBWAYXES-ONGXEEELSA-N 0 0 234.299 2.354 10 30 BEEERN CC[C@H](C)N[C@H](C#N)c1ccc(C(=O)OC)cc1 ZINC000038064477 171347193 /nfs/dbraw/zinc/34/71/93/171347193.db2.gz SMSNAUFNBJVESD-GXFFZTMASA-N 0 0 246.310 2.426 10 30 BEEERN CC[C@H](CC#N)NC(=O)Cc1ccccc1 ZINC000054177662 171417840 /nfs/dbraw/zinc/41/78/40/171417840.db2.gz WINSLFVEHBTWPX-GFCCVEGCSA-N 0 0 216.284 2.038 10 30 BEEERN CCc1cc(OC)cc(OC)c1CC=O ZINC000098179271 171771894 /nfs/dbraw/zinc/77/18/94/171771894.db2.gz JZXCCGYLRYJWIA-UHFFFAOYSA-N 0 0 208.257 2.008 10 30 BEEERN CCc1ccccc1[C@H](C#N)N1CCOCC1 ZINC000052204913 171892091 /nfs/dbraw/zinc/89/20/91/171892091.db2.gz LLFCJPFAQHOKDQ-AWEZNQCLSA-N 0 0 230.311 2.146 10 30 BEEERN CCc1nc2ccccc2n1[C@@H](C)C/C(N)=N/O ZINC000062807729 172014543 /nfs/dbraw/zinc/01/45/43/172014543.db2.gz UAWNSCMOEJDAQV-VIFPVBQESA-N 0 0 246.314 2.296 10 30 BEEERN CN(C(=O)[C@]1(C)CCCO1)c1ccccc1C#N ZINC000127471459 172336131 /nfs/dbraw/zinc/33/61/31/172336131.db2.gz WAFUNMXTAYOHLU-AWEZNQCLSA-N 0 0 244.294 2.090 10 30 BEEERN CN(CCC#N)c1ccc2cc(N)ccc2n1 ZINC000035343219 172666662 /nfs/dbraw/zinc/66/66/62/172666662.db2.gz SWFDCGLOSQAPRI-UHFFFAOYSA-N 0 0 226.283 2.167 10 30 BEEERN CN(CCC#N)c1ncccc1C(F)(F)F ZINC000019834267 172666682 /nfs/dbraw/zinc/66/66/82/172666682.db2.gz DRBCZNCPMPGCMH-UHFFFAOYSA-N 0 0 229.205 2.450 10 30 BEEERN CN(c1ccccc1)c1ncc(N)cc1C#N ZINC000037758778 172950129 /nfs/dbraw/zinc/95/01/29/172950129.db2.gz MYVJKKUKMFVPQN-UHFFFAOYSA-N 0 0 224.267 2.303 10 30 BEEERN CN1CC[C@@](C#N)(Nc2ccc(Cl)cc2)C1 ZINC000061990872 173136988 /nfs/dbraw/zinc/13/69/88/173136988.db2.gz LPEMKTIXYBWIBN-LBPRGKRZSA-N 0 0 235.718 2.350 10 30 BEEERN COC(C)(C)C(N)=CC(=O)c1ccccc1 ZINC000017887056 173925113 /nfs/dbraw/zinc/92/51/13/173925113.db2.gz XPGORSBQQOEMKU-XFXZXTDPSA-N 0 0 219.284 2.137 10 30 BEEERN COCCCN[C@@H](C#N)c1ccc(C)cc1 ZINC000019988055 174249400 /nfs/dbraw/zinc/24/94/00/174249400.db2.gz CTKCFGAVQAZBCA-ZDUSSCGKSA-N 0 0 218.300 2.186 10 30 BEEERN COCCCN[C@H](C#N)c1cccc(C)c1 ZINC000019987645 174250827 /nfs/dbraw/zinc/25/08/27/174250827.db2.gz FEHWIBZVEQNAMF-CYBMUJFWSA-N 0 0 218.300 2.186 10 30 BEEERN COCCCOc1ccc(CC#N)cc1 ZINC000037506360 174257150 /nfs/dbraw/zinc/25/71/50/174257150.db2.gz VCOKMAPDXQHKFZ-UHFFFAOYSA-N 0 0 205.257 2.168 10 30 BEEERN COc1cc(OC)cc(OCCCC#N)c1 ZINC000035150056 175010047 /nfs/dbraw/zinc/01/00/47/175010047.db2.gz BPTLDJIJPCNMQG-UHFFFAOYSA-N 0 0 221.256 2.386 10 30 BEEERN COc1cc([C@H]2CO2)c(Cl)cc1C#N ZINC000113513479 175016529 /nfs/dbraw/zinc/01/65/29/175016529.db2.gz BHXIRMZADWGIBT-SNVBAGLBSA-N 0 0 209.632 2.292 10 30 BEEERN COc1ccc(-c2nocc2C#N)cc1 ZINC000000437612 175043561 /nfs/dbraw/zinc/04/35/61/175043561.db2.gz RLBMVTBBQIJIAC-UHFFFAOYSA-N 0 0 200.197 2.222 10 30 BEEERN COc1ccc(NC2=NC[C@@H](C3CC3)S2)cn1 ZINC000071306978 175049424 /nfs/dbraw/zinc/04/94/24/175049424.db2.gz UGOBLFWWQVALRQ-JTQLQIEISA-N 0 0 249.339 2.193 10 30 BEEERN COc1ccc(Br)cc1NCC#N ZINC000049566845 175051027 /nfs/dbraw/zinc/05/10/27/175051027.db2.gz AIKWMTRSCRZXNW-UHFFFAOYSA-N 0 0 241.088 2.393 10 30 BEEERN COc1ccc(C(=O)N(CCC#N)C2CC2)cc1 ZINC000042359449 175055149 /nfs/dbraw/zinc/05/51/49/175055149.db2.gz FFCRAKBTPKRXGV-UHFFFAOYSA-N 0 0 244.294 2.213 10 30 BEEERN COc1ccc(C(=O)[C@@H](C)CC#N)cc1OC ZINC000033426657 175064951 /nfs/dbraw/zinc/06/49/51/175064951.db2.gz TYBKOSUGDIVOBO-VIFPVBQESA-N 0 0 233.267 2.436 10 30 BEEERN COc1ccc(C2=CC(=O)C(C)(C)O2)cc1 ZINC000040640173 175084465 /nfs/dbraw/zinc/08/44/65/175084465.db2.gz YUIDPTKMBCAKSZ-UHFFFAOYSA-N 0 0 218.252 2.414 10 30 BEEERN COc1ccc(CC[C@](C)(C#N)N(C)C)cc1 ZINC000037846625 175093843 /nfs/dbraw/zinc/09/38/43/175093843.db2.gz CJMCIHJIPCBHDF-CQSZACIVSA-N 0 0 232.327 2.472 10 30 BEEERN COc1ccc(Cl)cc1[C@H](C#N)C=O ZINC000037354646 175122790 /nfs/dbraw/zinc/12/27/90/175122790.db2.gz QHTTWLKEGVPADB-SSDOTTSWSA-N 0 0 209.632 2.155 10 30 BEEERN COc1ccc(N)cc1Oc1cc(C#N)ccn1 ZINC000036984692 175138591 /nfs/dbraw/zinc/13/85/91/175138591.db2.gz UQNFLOLQEGHXRP-UHFFFAOYSA-N 0 0 241.250 2.336 10 30 BEEERN COc1ccc(NC[C@@H](C)C#N)cc1F ZINC000037290602 175151870 /nfs/dbraw/zinc/15/18/70/175151870.db2.gz XKKKBLGRIUDRRM-QMMMGPOBSA-N 0 0 208.236 2.406 10 30 BEEERN COc1ccc(N[C@@H](C)CC#N)cc1OC ZINC000032013630 175153285 /nfs/dbraw/zinc/15/32/85/175153285.db2.gz WAUHFVCFTAMAIZ-VIFPVBQESA-N 0 0 220.272 2.418 10 30 BEEERN COc1ccc(N[C@H](C#N)C2CC2)cc1 ZINC000041047350 175154757 /nfs/dbraw/zinc/15/47/57/175154757.db2.gz CVBYFBUOPMHGEV-GFCCVEGCSA-N 0 0 202.257 2.409 10 30 BEEERN COc1ccc(N[C@H](C)CC#N)c(OC)c1 ZINC000032013629 175154794 /nfs/dbraw/zinc/15/47/94/175154794.db2.gz BIOCYJKQCQATMT-SECBINFHSA-N 0 0 220.272 2.418 10 30 BEEERN COc1ccc(O)c2c1C(C)(C)C=CC2=O ZINC000028874151 175159786 /nfs/dbraw/zinc/15/97/86/175159786.db2.gz JOGJUWYCCHKUAO-UHFFFAOYSA-N 0 0 218.252 2.431 10 30 BEEERN COc1ccc(SCCC=O)cc1OC ZINC000019686173 175175468 /nfs/dbraw/zinc/17/54/68/175175468.db2.gz GWYUCECPUJPYCJ-UHFFFAOYSA-N 0 0 226.297 2.385 10 30 BEEERN COc1ccc2c(c1)CC[C@](C)(C#N)C2=O ZINC000005105779 175210156 /nfs/dbraw/zinc/21/01/56/175210156.db2.gz QZPFTYMMXQGPHQ-CYBMUJFWSA-N 0 0 215.252 2.354 10 30 BEEERN COc1cccc(C(=O)C[C@H](C)C#N)c1OC ZINC000033426728 175242394 /nfs/dbraw/zinc/24/23/94/175242394.db2.gz BWAXDDRTTSCYET-VIFPVBQESA-N 0 0 233.267 2.436 10 30 BEEERN COc1cccc(C(=O)CCC#N)c1OC ZINC000033426765 175242478 /nfs/dbraw/zinc/24/24/78/175242478.db2.gz JLGRWVZGPRACFD-UHFFFAOYSA-N 0 0 219.240 2.190 10 30 BEEERN COc1cccc(C(=O)C[C@H](C)C#N)c1 ZINC000033426697 175242913 /nfs/dbraw/zinc/24/29/13/175242913.db2.gz PRVSKYZJIJCLSV-VIFPVBQESA-N 0 0 203.241 2.428 10 30 BEEERN COc1cccc(C2=CC(=O)C[C@@](C)(O)C2)c1 ZINC000040174910 175249325 /nfs/dbraw/zinc/24/93/25/175249325.db2.gz GHTOXIALXLXZCJ-AWEZNQCLSA-N 0 0 232.279 2.193 10 30 BEEERN COc1cccc(N[C@H](C#N)c2cnn(C)c2)c1 ZINC000037937837 175279968 /nfs/dbraw/zinc/27/99/68/175279968.db2.gz WBPNZUAJFFWCCU-CYBMUJFWSA-N 0 0 242.282 2.105 10 30 BEEERN COc1cccc2onc(CCS)c21 ZINC000031888810 175308575 /nfs/dbraw/zinc/30/85/75/175308575.db2.gz BQIYSVRALGCHSA-UHFFFAOYSA-N 0 0 209.270 2.309 10 30 BEEERN COc1ccccc1CCN[C@@H](C#N)C(C)C ZINC000057520970 175323403 /nfs/dbraw/zinc/32/34/03/175323403.db2.gz OQHFIPUPZRXKER-ZDUSSCGKSA-N 0 0 232.327 2.375 10 30 BEEERN COc1ccccc1CN[C@H]1CCC[C@H]1C#N ZINC000054823110 175331435 /nfs/dbraw/zinc/33/14/35/175331435.db2.gz ZNZNMNSIUVTZTK-AAEUAGOBSA-N 0 0 230.311 2.477 10 30 BEEERN COc1ccccc1Nc1ncc(N)cc1C#N ZINC000037758936 175339603 /nfs/dbraw/zinc/33/96/03/175339603.db2.gz QMZAPCLSAZJZDW-UHFFFAOYSA-N 0 0 240.266 2.288 10 30 BEEERN COc1ccccc1[C@@H](C#N)NC(C)C ZINC000019989638 175343650 /nfs/dbraw/zinc/34/36/50/175343650.db2.gz HLFOFGGGFDKOSE-LLVKDONJSA-N 0 0 204.273 2.258 10 30 BEEERN COc1ccccc1[C@H](C#N)NCC(F)(F)F ZINC000037971001 175350660 /nfs/dbraw/zinc/35/06/60/175350660.db2.gz RJVMFETVAKEIQY-VIFPVBQESA-N 0 0 244.216 2.412 10 30 BEEERN COc1ccccc1[C@H](C#N)NC1CC1 ZINC000019989642 175350839 /nfs/dbraw/zinc/35/08/39/175350839.db2.gz UYHFNLHIHVRXHL-NSHDSACASA-N 0 0 202.257 2.012 10 30 BEEERN C[C@@H](C#N)CNc1ccc(F)c(C#N)c1 ZINC000051636592 175596809 /nfs/dbraw/zinc/59/68/09/175596809.db2.gz KZRWNEQRFRXWNM-QMMMGPOBSA-N 0 0 203.220 2.269 10 30 BEEERN C[C@@H](Cc1ccco1)Nc1ncc(N)cc1C#N ZINC000042586996 175774551 /nfs/dbraw/zinc/77/45/51/175774551.db2.gz LZEASXKHHMRJCP-VIFPVBQESA-N 0 0 242.282 2.172 10 30 BEEERN C[C@@H](Nc1ccc(N)cc1C#N)C1CC1 ZINC000041020880 175931142 /nfs/dbraw/zinc/93/11/42/175931142.db2.gz URFYHLZNLRVTQJ-MRVPVSSYSA-N 0 0 201.273 2.351 10 30 BEEERN C[C@@H](C#N)CN(C)[C@@H](C)c1cccc(N)c1 ZINC000042454889 176018596 /nfs/dbraw/zinc/01/85/96/176018596.db2.gz QOUHAVFYKOCHQW-QWRGUYRKSA-N 0 0 217.316 2.421 10 30 BEEERN C[C@@H](c1ncncc1C#N)C(F)(F)F ZINC000095643283 176039252 /nfs/dbraw/zinc/03/92/52/176039252.db2.gz CEMXVTAYHFCOBU-YFKPBYRVSA-N 0 0 201.151 2.014 10 30 BEEERN C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235319474 176213867 /nfs/dbraw/zinc/21/38/67/176213867.db2.gz NCOLIDNBURROEH-RKDXNWHRSA-N 0 0 246.270 2.462 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2)O1 ZINC000124835934 176221421 /nfs/dbraw/zinc/22/14/21/176221421.db2.gz RQXHGNOJVINRNM-BXKDBHETSA-N 0 0 230.267 2.064 10 30 BEEERN C[C@@H]1CN(Cc2ccc(C#N)o2)CC(C)(C)O1 ZINC000119517462 176303459 /nfs/dbraw/zinc/30/34/59/176303459.db2.gz GZDSBOHVWUMGLU-SNVBAGLBSA-N 0 0 234.299 2.151 10 30 BEEERN C[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000019867434 176318956 /nfs/dbraw/zinc/31/89/56/176318956.db2.gz CCBDDYXYZGBRMN-GHMZBOCLSA-N 0 0 216.284 2.172 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1Cc1cccc(C#N)c1 ZINC000077367501 176347057 /nfs/dbraw/zinc/34/70/57/176347057.db2.gz DDCGJXYAYDVKIK-VXGBXAGGSA-N 0 0 230.311 2.167 10 30 BEEERN C[C@@H](C#N)CN[C@@H](C)c1cccc(O)c1 ZINC000054180088 176856530 /nfs/dbraw/zinc/85/65/30/176856530.db2.gz TWMAIRKEWGYDJG-UWVGGRQHSA-N 0 0 204.273 2.202 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(C#N)cc2)O1 ZINC000124836458 177181683 /nfs/dbraw/zinc/18/16/83/177181683.db2.gz RQXHGNOJVINRNM-CABZTGNLSA-N 0 0 230.267 2.064 10 30 BEEERN C[C@H]1C[C@@H]1CN(C)C(=O)c1ccc(C#N)cc1 ZINC000104413833 177342541 /nfs/dbraw/zinc/34/25/41/177342541.db2.gz NOHQUMBSWSDQRT-GXFFZTMASA-N 0 0 228.295 2.286 10 30 BEEERN C[C@H]1C[C@H]1C(=O)N[C@@H](C#N)c1ccccc1 ZINC000040215230 177377186 /nfs/dbraw/zinc/37/71/86/177377186.db2.gz UDMRHQQVHBOKKX-WCQGTBRESA-N 0 0 214.268 2.023 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1cccc(F)c1C#N ZINC000134382325 177408609 /nfs/dbraw/zinc/40/86/09/177408609.db2.gz AUPVVEAMBCYKNY-LDYMZIIASA-N 0 0 220.247 2.287 10 30 BEEERN C[C@](C#N)(CO)Cc1ccccc1Cl ZINC000057496040 177440925 /nfs/dbraw/zinc/44/09/25/177440925.db2.gz KNBXWXIVVZCXLB-NSHDSACASA-N 0 0 209.676 2.405 10 30 BEEERN Cc1c(C)n(CC2CCC2)c(N)c1C#N ZINC000037181170 177556410 /nfs/dbraw/zinc/55/64/10/177556410.db2.gz VEDGPWWURHMNJR-UHFFFAOYSA-N 0 0 203.289 2.359 10 30 BEEERN C[C@H](CC[C@@H]1OC1(C)C)[C@H]1C=CC(=O)[C@@H](O)C1 ZINC000504014469 226337823 /nfs/dbraw/zinc/33/78/23/226337823.db2.gz DLJDPQQYQRPMKG-URBCHYCLSA-N 0 0 238.327 2.086 10 30 BEEERN C#C[C@@H](CC)Nc1nc(C)nc(C)c1F ZINC000309214605 262721159 /nfs/dbraw/zinc/72/11/59/262721159.db2.gz UEDVMPDTDJJSMR-VIFPVBQESA-N 0 0 207.252 2.056 10 30 BEEERN CCC(C#N)(CC)C(=O)NCc1cscn1 ZINC000111629726 323162257 /nfs/dbraw/zinc/16/22/57/323162257.db2.gz NONDZFMFQDBMKQ-UHFFFAOYSA-N 0 0 237.328 2.089 10 30 BEEERN CC[C@H](C#N)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000112204287 323166838 /nfs/dbraw/zinc/16/68/38/323166838.db2.gz IMYBWAFSGCWNFV-UPJWGTAASA-N 0 0 228.295 2.208 10 30 BEEERN Cn1ccc(-c2cccc(C#N)c2)c1C=O ZINC000536960359 323922828 /nfs/dbraw/zinc/92/28/28/323922828.db2.gz ZZFMOZXWECKZIL-UHFFFAOYSA-N 0 0 210.236 2.376 10 30 BEEERN N#C[C@]1(c2ccc(F)cc2)CCCOC1 ZINC000536950894 323955224 /nfs/dbraw/zinc/95/52/24/323955224.db2.gz UVRXEPUMIGWIQK-GFCCVEGCSA-N 0 0 205.232 2.397 10 30 BEEERN C[C@]1(C#N)COc2cc(F)c(F)cc2O1 ZINC000536955103 323964266 /nfs/dbraw/zinc/96/42/66/323964266.db2.gz OCBXWTIXGFQTSR-JTQLQIEISA-N 0 0 211.167 2.018 10 30 BEEERN C[C@H](CC#N)N(C)Cc1nc(-c2ccoc2)no1 ZINC000129632435 324968982 /nfs/dbraw/zinc/96/89/82/324968982.db2.gz HKOMAEDSDVMRPZ-SECBINFHSA-N 0 0 246.270 2.064 10 30 BEEERN CC[C@@](C)(C#N)C(=O)NC[C@H](C)C(C)C ZINC000136261084 325448170 /nfs/dbraw/zinc/44/81/70/325448170.db2.gz OQYABFAPYFCDGM-JQWIXIFHSA-N 0 0 210.321 2.335 10 30 BEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000248759173 325620612 /nfs/dbraw/zinc/62/06/12/325620612.db2.gz VSQPMAXLNZPDTP-RWMBFGLXSA-N 0 0 239.359 2.256 10 30 BEEERN C#C[C@@](O)(c1ccc(F)cc1)C1(C#N)CCC1 ZINC000584600239 488018276 /nfs/dbraw/zinc/01/82/76/488018276.db2.gz CPJTYUSGNJEZOW-CQSZACIVSA-N 0 0 229.254 2.340 10 30 BEEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000061889167 488065879 /nfs/dbraw/zinc/06/58/79/488065879.db2.gz WYPRIQMBWUNPQW-ZYHUDNBSSA-N 0 0 232.283 2.319 10 30 BEEERN C[C@@H]1CSC[C@@]1(O)c1ccc(C#N)cc1 ZINC000521401501 488182352 /nfs/dbraw/zinc/18/23/52/488182352.db2.gz INJGUVONGVAMMP-SKDRFNHKSA-N 0 0 219.309 2.129 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@]1(C)CC1CCC1 ZINC000234596498 582461606 /nfs/dbraw/zinc/46/16/06/582461606.db2.gz VFGYJOBMINYDDE-ZJUUUORDSA-N 0 0 218.680 2.074 10 30 BEEERN C=CC[C@@H]([NH2+]CC1CCC(C)CC1)C(=O)[O-] ZINC000336753777 534321755 /nfs/dbraw/zinc/32/17/55/534321755.db2.gz WQUHRVGSBATEIZ-HTAVTVPLSA-N 0 0 225.332 2.432 10 30 BEEERN N#Cc1ccc(F)c(-c2cc(=O)cc[nH]2)c1 ZINC000065355769 518196635 /nfs/dbraw/zinc/19/66/35/518196635.db2.gz FEADEKMBXZXZMZ-UHFFFAOYSA-N 0 0 214.199 2.053 10 30 BEEERN C=CC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235077910 534355078 /nfs/dbraw/zinc/35/50/78/534355078.db2.gz RHVSCADHCZLGIV-QMMMGPOBSA-N 0 0 232.243 2.238 10 30 BEEERN C/C(=N\O)c1ccc(N2CCCCC2=O)cc1 ZINC000238855112 518468504 /nfs/dbraw/zinc/46/85/04/518468504.db2.gz QNRVQALPKDWRHR-UHFFFAOYSA-N 0 0 232.283 2.402 10 30 BEEERN CC(C)(C)OC(=O)N1CCC(C=NO)CC1 ZINC000257352171 518798783 /nfs/dbraw/zinc/79/87/83/518798783.db2.gz JPPSCYURIXEGIG-UHFFFAOYSA-N 0 0 228.292 2.094 10 30 BEEERN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C=O ZINC000238853359 518799810 /nfs/dbraw/zinc/79/98/10/518799810.db2.gz JIFWBGWFDJMEGF-SECBINFHSA-N 0 0 227.304 2.221 10 30 BEEERN CCOC(=O)C(Cl)N=Nc1ccccc1F ZINC000252481357 520429285 /nfs/dbraw/zinc/42/92/85/520429285.db2.gz CJTBOQSRJXKXAA-UHFFFAOYSA-N 0 0 244.653 2.353 10 30 BEEERN C=CC1CCN(C(=O)CCSC)CC1 ZINC000110363497 534522425 /nfs/dbraw/zinc/52/24/25/534522425.db2.gz IVONEBOFMHQDFX-UHFFFAOYSA-N 0 0 213.346 2.164 10 30 BEEERN C=CCCC(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238963515 534607920 /nfs/dbraw/zinc/60/79/20/534607920.db2.gz YSYTVEKXPKUDBR-GFCCVEGCSA-N 0 0 246.310 2.028 10 30 BEEERN C=CCCCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178679880 534663871 /nfs/dbraw/zinc/66/38/71/534663871.db2.gz GXIOSZGYROQDFE-HIFRSBDPSA-N 0 0 245.322 2.117 10 30 BEEERN Cc1ccc(C2=CC(=O)C[C@@](C)(O)C2)c(C)n1 ZINC000040538555 524230660 /nfs/dbraw/zinc/23/06/60/524230660.db2.gz WHFJHEMDVSMOPC-AWEZNQCLSA-N 0 0 231.295 2.196 10 30 BEEERN Cc1ccc(OCn2cc(C#N)cn2)cc1 ZINC000062701636 525455313 /nfs/dbraw/zinc/45/53/13/525455313.db2.gz HNEWFHLXBRIKNR-UHFFFAOYSA-N 0 0 213.240 2.100 10 30 BEEERN N#CC1(c2ccc(Cl)cc2)CC(O)C1 ZINC000033966378 526438317 /nfs/dbraw/zinc/43/83/17/526438317.db2.gz ODQYLPJWPNQFTN-UHFFFAOYSA-N 0 0 207.660 2.256 10 30 BEEERN C=CCCC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123333554 527070778 /nfs/dbraw/zinc/07/07/78/527070778.db2.gz JASAYQVVMZQHAV-CYBMUJFWSA-N 0 0 246.310 2.028 10 30 BEEERN ON=Cc1csc(Br)c1 ZINC000255004267 527643559 /nfs/dbraw/zinc/64/35/59/527643559.db2.gz WZEHQWLBOVYNNX-UHFFFAOYSA-N 0 0 206.064 2.319 10 30 BEEERN CC1(C)C[C@H]1c1noc(CSCC#N)n1 ZINC000230996238 534934285 /nfs/dbraw/zinc/93/42/85/534934285.db2.gz WKJOZFHXWAJDOB-ZETCQYMHSA-N 0 0 223.301 2.340 10 30 BEEERN CC1(NC(=O)N[C@@H]2CCC[C@H]2C#N)CCCC1 ZINC000336030683 535182236 /nfs/dbraw/zinc/18/22/36/535182236.db2.gz SZDNKNXQYKIBCC-WDEREUQCSA-N 0 0 235.331 2.311 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCCOCC1 ZINC000329311411 535453495 /nfs/dbraw/zinc/45/34/95/535453495.db2.gz ZSONSCRUOIAZTQ-UTUOFQBUSA-N 0 0 240.347 2.248 10 30 BEEERN COCC1(NC(=O)[C@@H]2CCCC(=O)N2)CCC1 ZINC000329150590 536799629 /nfs/dbraw/zinc/79/96/29/536799629.db2.gz RTBSKEVIQXFHQL-VIFPVBQESA-N 0 0 240.303 2.021 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)NCCC1=CCCC1 ZINC000332896779 566377590 /nfs/dbraw/zinc/37/75/90/566377590.db2.gz LDJDAMIXZODZRS-OLZOCXBDSA-N 0 0 247.342 2.478 10 30 BEEERN COc1cc(-c2sc(C#N)nc2C)sn1 ZINC000669381113 566425828 /nfs/dbraw/zinc/42/58/28/566425828.db2.gz YIDVMNQHDJNEGY-UHFFFAOYSA-N 0 0 237.309 2.455 10 30 BEEERN C=C1C(=O)O[C@H]2C[C@@]3(C)C(=C[C@@H]12)[C@H](C)CC[C@@H]3O ZINC000014452584 571708754 /nfs/dbraw/zinc/70/87/54/571708754.db2.gz FRNIMDDQCZHAFA-KOYBDFIYSA-N 0 0 248.322 2.211 10 30 endogenous,in-man BEEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1cccc(F)c1 ZINC000234584284 582460372 /nfs/dbraw/zinc/46/03/72/582460372.db2.gz QHIOWUKNJSWGGC-WDEREUQCSA-N 0 0 244.649 2.179 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@]1(C)Cc1ccccc1 ZINC000234596897 582461648 /nfs/dbraw/zinc/46/16/48/582461648.db2.gz QDXVJDQWGFAALA-NEPJUHHUSA-N 0 0 240.686 2.126 10 30 BEEERN C[C@@H](CC#N)Nc1ccc2c(c1)CCN2C ZINC000757134108 582510279 /nfs/dbraw/zinc/51/02/79/582510279.db2.gz WESMPBSLYQNAAS-JTQLQIEISA-N 0 0 215.300 2.393 10 30 BEEERN C=C[C@@H](C)N1C(=O)[C@H](c2ccccc2)NC1=S ZINC000757134653 582512217 /nfs/dbraw/zinc/51/22/17/582512217.db2.gz YHSHKBWPSZQCPM-KOLCDFICSA-N 0 0 246.335 2.019 10 30 BEEERN O=C1Nc2cc(F)c(Cl)cc2[C@@H]1S ZINC000757159673 582540949 /nfs/dbraw/zinc/54/09/49/582540949.db2.gz RXHOHCQGQBIZQO-ZETCQYMHSA-N 0 0 217.652 2.402 10 30 BEEERN O=C1Nc2cc(F)c(Cl)cc2[C@H]1S ZINC000757159664 582541436 /nfs/dbraw/zinc/54/14/36/582541436.db2.gz RXHOHCQGQBIZQO-SSDOTTSWSA-N 0 0 217.652 2.402 10 30 BEEERN O=C1Nc2c(c(Cl)ccc2F)[C@H]1S ZINC000757163608 582544847 /nfs/dbraw/zinc/54/48/47/582544847.db2.gz QMHAQRKBYOPOTL-SSDOTTSWSA-N 0 0 217.652 2.402 10 30 BEEERN CS(=O)(=O)c1cccc(Cl)c1CS ZINC000757166455 582547546 /nfs/dbraw/zinc/54/75/46/582547546.db2.gz VGQCGPOPGSTWLL-UHFFFAOYSA-N 0 0 236.745 2.173 10 30 BEEERN C[C@](N)(C#N)CSCc1ccc(Cl)o1 ZINC000757169719 582550172 /nfs/dbraw/zinc/55/01/72/582550172.db2.gz LZMSHFVSQUUQAY-VIFPVBQESA-N 0 0 230.720 2.407 10 30 BEEERN SCc1ncc(Br)s1 ZINC000257960886 582687421 /nfs/dbraw/zinc/68/74/21/582687421.db2.gz YIDUAAZNZMUYBN-UHFFFAOYSA-N 0 0 210.121 2.335 10 30 BEEERN N#CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000397660113 583323372 /nfs/dbraw/zinc/32/33/72/583323372.db2.gz WJFDQNGBZBRICJ-FVCCEPFGSA-N 0 0 232.327 2.185 10 30 BEEERN C#C[C@@H](C)OC(=O)C1(CCOCC)CCC1 ZINC000129878477 583578551 /nfs/dbraw/zinc/57/85/51/583578551.db2.gz XETIUGXFCABDTG-LLVKDONJSA-N 0 0 224.300 2.148 10 30 BEEERN N#C[C@H](C(=O)CCC1CC1)c1ccccn1 ZINC000115903134 588935456 /nfs/dbraw/zinc/93/54/56/588935456.db2.gz BZSTUOIMEBPTPF-NSHDSACASA-N 0 0 214.268 2.448 10 30 BEEERN O=C(OCC#Cc1ccccc1)c1cscn1 ZINC000103336116 585096341 /nfs/dbraw/zinc/09/63/41/585096341.db2.gz BMZIZTOPLSCFBE-UHFFFAOYSA-N 0 0 243.287 2.352 10 30 BEEERN CS[C@@H](C)C(=O)[C@@H](C#N)c1ccccn1 ZINC000103329889 585098160 /nfs/dbraw/zinc/09/81/60/585098160.db2.gz BXTVIKAJLFVVOL-IUCAKERBSA-N 0 0 220.297 2.009 10 30 BEEERN CCCCO[C@@H](C)C(=O)[C@H](C#N)c1ccccn1 ZINC000103638059 586171804 /nfs/dbraw/zinc/17/18/04/586171804.db2.gz WXULZUOKIMJQCU-NWDGAFQWSA-N 0 0 246.310 2.463 10 30 BEEERN N#C[C@@H](N)CCSCc1ccc(Cl)o1 ZINC000757162033 586431895 /nfs/dbraw/zinc/43/18/95/586431895.db2.gz AUGIIBHZJWUTCN-ZETCQYMHSA-N 0 0 230.720 2.407 10 30 BEEERN C[C@@H](S)[C@@H](C)NC(=O)OC(C)(C)C ZINC000757163427 586432806 /nfs/dbraw/zinc/43/28/06/586432806.db2.gz PNXJWXFJUFWWAI-RNFRBKRXSA-N 0 0 205.323 2.218 10 30 BEEERN C=CCCC(=O)Oc1ccccc1C(=O)OC ZINC000102211381 587818182 /nfs/dbraw/zinc/81/81/82/587818182.db2.gz OMICQILHPOBUNI-UHFFFAOYSA-N 0 0 234.251 2.345 10 30 BEEERN C#CC[C@@H](OC(=O)[C@H](C)SC)c1ccccn1 ZINC000105549600 588199653 /nfs/dbraw/zinc/19/96/53/588199653.db2.gz KKWMJAHUSXTQGH-CMPLNLGQSA-N 0 0 249.335 2.441 10 30 BEEERN C#C[C@H](CC)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006001521 588313865 /nfs/dbraw/zinc/31/38/65/588313865.db2.gz PRSYUBVPOLNXEC-LLVKDONJSA-N 0 0 233.223 2.163 10 30 BEEERN C#CCCOC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000106986317 588318196 /nfs/dbraw/zinc/31/81/96/588318196.db2.gz VIJBRUSWAIMTPM-ZIAGYGMSSA-N 0 0 244.290 2.365 10 30 BEEERN C#CCOc1cccc(COC(=O)[C@@H]2C[C@H]2C)c1 ZINC000107022175 588322709 /nfs/dbraw/zinc/32/27/09/588322709.db2.gz HCGSHIGQPMZESP-BXUZGUMPSA-N 0 0 244.290 2.398 10 30 BEEERN C#CCOc1cccc(COC(=O)[C@H]2C[C@H]2C)c1 ZINC000107022170 588322931 /nfs/dbraw/zinc/32/29/31/588322931.db2.gz HCGSHIGQPMZESP-RISCZKNCSA-N 0 0 244.290 2.398 10 30 BEEERN C#CCOc1cccc(COC(=O)[C@H]2C[C@@H]2C)c1 ZINC000107022172 588322975 /nfs/dbraw/zinc/32/29/75/588322975.db2.gz HCGSHIGQPMZESP-FZMZJTMJSA-N 0 0 244.290 2.398 10 30 BEEERN C#CCOc1ccccc1OC(=O)C1CCC1 ZINC000107191085 588337526 /nfs/dbraw/zinc/33/75/26/588337526.db2.gz KJRLBOVFYZQEFA-UHFFFAOYSA-N 0 0 230.263 2.404 10 30 BEEERN C=CCCOC(=O)c1ccc(-c2ncon2)cc1 ZINC000107410378 588362300 /nfs/dbraw/zinc/36/23/00/588362300.db2.gz VPDPULWHGFTVFP-UHFFFAOYSA-N 0 0 244.250 2.470 10 30 BEEERN N#C[C@@H](NC(=O)/C=C/c1cccs1)C1CC1 ZINC000108834136 588489481 /nfs/dbraw/zinc/48/94/81/588489481.db2.gz IZBKNWWKIVUPIN-MVIFTORASA-N 0 0 232.308 2.180 10 30 BEEERN C#CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109153197 588524525 /nfs/dbraw/zinc/52/45/25/588524525.db2.gz FDFGOBNVKWJKLK-VHSXEESVSA-N 0 0 236.217 2.245 10 30 BEEERN C#CCOC(=O)C[C@@H]1CCOc2ccccc21 ZINC000117996221 589146235 /nfs/dbraw/zinc/14/62/35/589146235.db2.gz IWOKNOWRUOOYJK-NSHDSACASA-N 0 0 230.263 2.119 10 30 BEEERN C#C[C@@H](C)OC(=O)C[C@@H](C)c1ccncc1 ZINC000119635639 589315792 /nfs/dbraw/zinc/31/57/92/589315792.db2.gz GUTPRPNOYKCVGV-GHMZBOCLSA-N 0 0 217.268 2.140 10 30 BEEERN C#CCSCCNC(=O)N[C@H](C)C(C)(C)C ZINC000120422743 589412984 /nfs/dbraw/zinc/41/29/84/589412984.db2.gz ZYGKPVQIJALANV-SNVBAGLBSA-N 0 0 242.388 2.087 10 30 BEEERN C#CCOC(=O)CCCc1ccc(F)c(F)c1 ZINC000120469641 589416728 /nfs/dbraw/zinc/41/67/28/589416728.db2.gz PQWMDKIFPGGPKJ-UHFFFAOYSA-N 0 0 238.233 2.464 10 30 BEEERN C[C@@H]1C[C@H]1C(=O)OCC#Cc1ccccc1 ZINC000121170635 589511286 /nfs/dbraw/zinc/51/12/86/589511286.db2.gz ADKONCPYMQLCNM-DGCLKSJQSA-N 0 0 214.264 2.237 10 30 BEEERN CC(C)[C@H](C#N)OC(=O)/C=C/c1cncc(F)c1 ZINC000122362947 589584653 /nfs/dbraw/zinc/58/46/53/589584653.db2.gz DGEGAVIYIAEOQG-PCAWENJQSA-N 0 0 248.257 2.325 10 30 BEEERN C#C[C@H](C)OC(=O)CCCC[C@@H](C)C(C)=O ZINC000124435822 589990663 /nfs/dbraw/zinc/99/06/63/589990663.db2.gz KUWKSWBKUXFAQG-MNOVXSKESA-N 0 0 224.300 2.337 10 30 BEEERN C=CCCOC(=O)c1ncccc1OCC ZINC000124530548 590046917 /nfs/dbraw/zinc/04/69/17/590046917.db2.gz ROPLDCSLGGKEDB-UHFFFAOYSA-N 0 0 221.256 2.213 10 30 BEEERN CC[C@H](C)COC(=O)c1cc(C#N)cn1C ZINC000124568511 590058926 /nfs/dbraw/zinc/05/89/26/590058926.db2.gz FJMUHPMNEGFYPL-VIFPVBQESA-N 0 0 220.272 2.100 10 30 BEEERN C#Cc1cccc(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000126197892 590247730 /nfs/dbraw/zinc/24/77/30/590247730.db2.gz MTCOUFKPWKEOTA-GWCFXTLKSA-N 0 0 229.279 2.174 10 30 BEEERN COCCCCC(=O)OCC#Cc1ccccc1 ZINC000126437710 590303843 /nfs/dbraw/zinc/30/38/43/590303843.db2.gz RJWDAKLVEAXIJS-UHFFFAOYSA-N 0 0 246.306 2.398 10 30 BEEERN N#CC1(C(=O)Nc2ccc(CO)cc2)CCCC1 ZINC000126768656 590441502 /nfs/dbraw/zinc/44/15/02/590441502.db2.gz RRTATZXRXSSEMA-UHFFFAOYSA-N 0 0 244.294 2.201 10 30 BEEERN C#CCCOC(=O)c1oc(CC)cc1C ZINC000128919213 591177781 /nfs/dbraw/zinc/17/77/81/591177781.db2.gz DWNNAWXUILJQNV-UHFFFAOYSA-N 0 0 206.241 2.331 10 30 BEEERN C#C[C@@H](C)OC(=O)CC1CCC(OC)CC1 ZINC000129161466 591266872 /nfs/dbraw/zinc/26/68/72/591266872.db2.gz DTNHDJOZPJCQOV-VOMCLLRMSA-N 0 0 224.300 2.147 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)O[C@H](C#N)C1CC1 ZINC000130532836 591481043 /nfs/dbraw/zinc/48/10/43/591481043.db2.gz YCJZMMSWSYSYKZ-CYBMUJFWSA-N 0 0 240.262 2.326 10 30 BEEERN C[C@@H](OCC1CC1)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000130600197 591486726 /nfs/dbraw/zinc/48/67/26/591486726.db2.gz SZAPNVSUUITATH-ZJUUUORDSA-N 0 0 239.315 2.283 10 30 BEEERN Cc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)n1C ZINC000131373686 591605707 /nfs/dbraw/zinc/60/57/07/591605707.db2.gz ZZIQXQYDVVBUEB-SNVBAGLBSA-N 0 0 234.299 2.429 10 30 BEEERN C[C@H](OC(=O)CC[C@@H]1CCOC1)C(C)(C)C#N ZINC000131462429 591611081 /nfs/dbraw/zinc/61/10/81/591611081.db2.gz GOEOISDLAQVXNI-WDEREUQCSA-N 0 0 239.315 2.285 10 30 BEEERN C#C[C@H](C)OC(=O)c1cnn(CCCC)c1C ZINC000132084011 591686975 /nfs/dbraw/zinc/68/69/75/591686975.db2.gz GUVLUJNNDFZJGE-JTQLQIEISA-N 0 0 234.299 2.170 10 30 BEEERN C=C[C@@H](C)NC(=O)/C=C/c1ccnc(Cl)c1 ZINC000132511771 591714443 /nfs/dbraw/zinc/71/44/43/591714443.db2.gz UTMDJSMXNDZCFA-XNPJLODASA-N 0 0 236.702 2.439 10 30 BEEERN C#CC[C@@H](OC(=O)CCc1cccnc1)C1CC1 ZINC000132615234 591724819 /nfs/dbraw/zinc/72/48/19/591724819.db2.gz URURDQHEECVCAT-CQSZACIVSA-N 0 0 243.306 2.359 10 30 BEEERN C=CCCC(=O)OC1CCC2(CC1)OCCO2 ZINC000133035114 591757238 /nfs/dbraw/zinc/75/72/38/591757238.db2.gz ICWGAMMMKONJMR-UHFFFAOYSA-N 0 0 240.299 2.182 10 30 BEEERN C#C[C@@H](OC(=O)CC[C@@H]1CCCCO1)C1CC1 ZINC000133954557 591870724 /nfs/dbraw/zinc/87/07/24/591870724.db2.gz QWDCQJYVWMPFSC-QWHCGFSZSA-N 0 0 236.311 2.291 10 30 BEEERN C#C[C@@H](C)OC(=O)[C@H](C)Sc1ccccn1 ZINC000135201015 591997294 /nfs/dbraw/zinc/99/72/94/591997294.db2.gz JYYFLRQYLYNGGW-ZJUUUORDSA-N 0 0 235.308 2.127 10 30 BEEERN CC(=O)[C@@H]1CCCN(c2cc(C)nc(C#N)c2)C1 ZINC000308272596 631235915 /nfs/dbraw/zinc/23/59/15/631235915.db2.gz PTRNALLVWSWUAW-GFCCVEGCSA-N 0 0 243.310 2.067 10 30 BEEERN CC(=O)[C@H]1CCCN(c2cc(C)nc(C#N)c2)C1 ZINC000308272597 631236735 /nfs/dbraw/zinc/23/67/35/631236735.db2.gz PTRNALLVWSWUAW-LBPRGKRZSA-N 0 0 243.310 2.067 10 30 BEEERN COC(=O)CCCCCNc1ccnc(C#N)c1 ZINC000061812994 631256239 /nfs/dbraw/zinc/25/62/39/631256239.db2.gz STZGKMMWFILNKZ-UHFFFAOYSA-N 0 0 247.298 2.099 10 30 BEEERN N#C[C@H](OC(=O)Cc1cccc(F)c1)C1CC1 ZINC000176069217 631550779 /nfs/dbraw/zinc/55/07/79/631550779.db2.gz MVXXUDOUISHWPJ-LBPRGKRZSA-N 0 0 233.242 2.214 10 30 BEEERN N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000158764068 632484795 /nfs/dbraw/zinc/48/47/95/632484795.db2.gz LDMBZHJBXCYIPK-SKDRFNHKSA-N 0 0 234.274 2.313 10 30 BEEERN C#CCSCCNc1nc(C)nc(C)c1F ZINC000309840043 632672649 /nfs/dbraw/zinc/67/26/49/632672649.db2.gz CSYPDBYTGZMUJK-UHFFFAOYSA-N 0 0 239.319 2.011 10 30 BEEERN Cc1cnc([C@H](C)NC(=O)c2cnnc(C)c2)o1 ZINC000329957989 632814877 /nfs/dbraw/zinc/81/48/77/632814877.db2.gz PSWRDAWMJLMRTM-VIFPVBQESA-N 0 0 246.270 2.147 10 30 BEEERN C#CCNC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000048845526 635934201 /nfs/dbraw/zinc/93/42/01/635934201.db2.gz GETQRHUTCDSXSU-SSDOTTSWSA-N 0 0 242.731 2.395 10 30 BEEERN C=CCCC(=O)O[C@@H](C)C1CCOCC1 ZINC000151467159 636080233 /nfs/dbraw/zinc/08/02/33/636080233.db2.gz SLLPILKGYLTSAX-JTQLQIEISA-N 0 0 212.289 2.311 10 30 BEEERN CSc1cnc(N[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000309896024 633911992 /nfs/dbraw/zinc/91/19/92/633911992.db2.gz FVYRKGSKCNOFIS-PSASIEDQSA-N 0 0 234.328 2.303 10 30 BEEERN Cc1nc(N[C@@H](C)[C@H](C)O)c(Cl)cc1C#N ZINC000309913967 633935868 /nfs/dbraw/zinc/93/58/68/633935868.db2.gz OHBJDMRIIYPVLH-XPUUQOCRSA-N 0 0 239.706 2.096 10 30 BEEERN N#C[C@H]1CCCN(CCSC(F)(F)F)C1 ZINC000127617996 636651436 /nfs/dbraw/zinc/65/14/36/636651436.db2.gz YUOISMPQPGXCJZ-MRVPVSSYSA-N 0 0 238.278 2.475 10 30 BEEERN C=C(C)CNC(=S)N(C)Cc1ccc(C)o1 ZINC000057435260 640610541 /nfs/dbraw/zinc/61/05/41/640610541.db2.gz YOJKHVIDWVRJDF-UHFFFAOYSA-N 0 0 238.356 2.470 10 30 BEEERN CC1(C#N)CCN(C(=O)N2CCCCC2)CC1 ZINC000227340898 640828736 /nfs/dbraw/zinc/82/87/36/640828736.db2.gz HLVZJGDQWVSPKZ-UHFFFAOYSA-N 0 0 235.331 2.218 10 30 BEEERN C[C@@H]1Cc2c(C#N)c(N)ncc2[C@@H](C)C1 ZINC000675064397 640962235 /nfs/dbraw/zinc/96/22/35/640962235.db2.gz ZISZNXALBBITJY-YUMQZZPRSA-N 0 0 201.273 2.221 10 30 BEEERN C[C@@H]1C[C@H](C)Cc2c(C#N)c(N)ncc21 ZINC000675064394 640962555 /nfs/dbraw/zinc/96/25/55/640962555.db2.gz ZISZNXALBBITJY-JGVFFNPUSA-N 0 0 201.273 2.221 10 30 BEEERN C/C(=C\C(=O)N[C@H](C)C#N)c1cccc(F)c1 ZINC000171766755 641011655 /nfs/dbraw/zinc/01/16/55/641011655.db2.gz UXFJYJINTCLGQY-OLKPEBQYSA-N 0 0 232.258 2.257 10 30 BEEERN COC1CC(Nc2ccc(C#N)cc2)C1 ZINC000230599575 641070986 /nfs/dbraw/zinc/07/09/86/641070986.db2.gz VGAQNRQHJIINPW-UHFFFAOYSA-N 0 0 202.257 2.148 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCC(F)(F)C(F)F ZINC000230693959 641088829 /nfs/dbraw/zinc/08/88/29/641088829.db2.gz XRHXUCGBYUAJEP-RNFRBKRXSA-N 0 0 224.201 2.169 10 30 BEEERN C=C(Cl)CN[C@@H](C)c1ncc(C)o1 ZINC000231742435 641201954 /nfs/dbraw/zinc/20/19/54/641201954.db2.gz ATZPAYFPGUBTAS-QMMMGPOBSA-N 0 0 200.669 2.386 10 30 BEEERN C#C[C@H](C)OC(=O)Cc1ccccc1Cl ZINC000174445828 641286257 /nfs/dbraw/zinc/28/62/57/641286257.db2.gz FYXDNXMTVOJQPI-VIFPVBQESA-N 0 0 222.671 2.447 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Oc2ccc(C#N)cc2F)O1 ZINC000158245632 641629177 /nfs/dbraw/zinc/62/91/77/641629177.db2.gz PQLSHAAXUMPOND-PELKAZGASA-N 0 0 249.241 2.170 10 30 BEEERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000233948885 642711844 /nfs/dbraw/zinc/71/18/44/642711844.db2.gz HWMXKTDRSPLJBC-STQMWFEESA-N 0 0 244.294 2.312 10 30 BEEERN C=C(Br)CN1C[C@H]2CCC[C@@H]21 ZINC000306294680 642735681 /nfs/dbraw/zinc/73/56/81/642735681.db2.gz YGSNQPNWSDVUEZ-BDAKNGLRSA-N 0 0 216.122 2.379 10 30 BEEERN CC(C)(C#N)COC(=O)Cc1cccc(F)c1 ZINC000180161909 642778544 /nfs/dbraw/zinc/77/85/44/642778544.db2.gz HDZROVMCQBIQAW-UHFFFAOYSA-N 0 0 235.258 2.461 10 30 BEEERN C[C@H](C#N)NC(=O)/C=C\C1CCCCC1 ZINC000254954595 643178328 /nfs/dbraw/zinc/17/83/28/643178328.db2.gz RZOFXTRXQJOAOP-GQYWMQPJSA-N 0 0 206.289 2.151 10 30 BEEERN COC(=O)[C@@H]1O[C@@]12CCC[C@@H](C(F)(F)F)C2 ZINC000227516495 643226623 /nfs/dbraw/zinc/22/66/23/643226623.db2.gz ZRXXFHQUYSJORZ-BKPPORCPSA-N 0 0 238.205 2.050 10 30 BEEERN C=C[C@@H](C)NC(=S)NCCC1CCC1 ZINC000757132619 643257989 /nfs/dbraw/zinc/25/79/89/643257989.db2.gz DJFRFTAZKAZRGW-SECBINFHSA-N 0 0 212.362 2.215 10 30 BEEERN C=C[C@H](C)NC(=S)NCCC1CCC1 ZINC000757132626 643258314 /nfs/dbraw/zinc/25/83/14/643258314.db2.gz DJFRFTAZKAZRGW-VIFPVBQESA-N 0 0 212.362 2.215 10 30 BEEERN C=CCOC(=O)c1coc(Br)c1 ZINC000131252973 643435993 /nfs/dbraw/zinc/43/59/93/643435993.db2.gz GFUZLRTXEBAGHM-UHFFFAOYSA-N 0 0 231.045 2.385 10 30 BEEERN CC[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000234104731 643483506 /nfs/dbraw/zinc/48/35/06/643483506.db2.gz VTAGGXOOOWPYRY-QWHCGFSZSA-N 0 0 244.294 2.312 10 30 BEEERN CC(C)[C@H]1CCc2nc(N)c(C#N)cc2C1 ZINC000054558796 643731544 /nfs/dbraw/zinc/73/15/44/643731544.db2.gz ZNJAVQWFOVDNAW-VIFPVBQESA-N 0 0 215.300 2.296 10 30 BEEERN CC(C)Cc1ccc(C=NNC(N)=S)cc1 ZINC000252674575 644875668 /nfs/dbraw/zinc/87/56/68/644875668.db2.gz SGHWUUOQYKMTFX-UHFFFAOYSA-N 0 0 235.356 2.052 10 30 BEEERN C#C[C@@H](OC(=O)COc1cccc(C)c1)C1CC1 ZINC000134017623 645870685 /nfs/dbraw/zinc/87/06/85/645870685.db2.gz HQUDKKLJALHWHN-CQSZACIVSA-N 0 0 244.290 2.329 10 30 BEEERN C[C@@H]1C[C@@H]1C(=O)OCC#Cc1ccccc1 ZINC000121170322 711487989 /nfs/dbraw/zinc/48/79/89/711487989.db2.gz ADKONCPYMQLCNM-YPMHNXCESA-N 0 0 214.264 2.237 10 30 BEEERN CC(C)=CC(=O)N[C@@H]1CCCC[C@H]1C#N ZINC000725625187 711753491 /nfs/dbraw/zinc/75/34/91/711753491.db2.gz ZKWYFIGJDFRDPX-WDEREUQCSA-N 0 0 206.289 2.151 10 30 BEEERN C#CCCCCC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000706879085 712157630 /nfs/dbraw/zinc/15/76/30/712157630.db2.gz BFNITFOJAVIJLS-NEPJUHHUSA-N 0 0 205.301 2.191 10 30 BEEERN N#Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2CCC[C@@H]21 ZINC000706880367 712158488 /nfs/dbraw/zinc/15/84/88/712158488.db2.gz FAPKUJXFXSOKIB-SKDRFNHKSA-N 0 0 243.266 2.455 10 30 BEEERN Cc1cc(C#N)ccc1N1CC(n2cccn2)C1 ZINC000707598393 712176017 /nfs/dbraw/zinc/17/60/17/712176017.db2.gz IPMDLBHAYNOXSO-UHFFFAOYSA-N 0 0 238.294 2.125 10 30 BEEERN CSC1CC(Nc2cc(C#N)ccn2)C1 ZINC000708276244 712185840 /nfs/dbraw/zinc/18/58/40/712185840.db2.gz VJLOEWNQIRQSQQ-UHFFFAOYSA-N 0 0 219.313 2.259 10 30 BEEERN Cc1cc(C#N)ccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000037732799 712752622 /nfs/dbraw/zinc/75/26/22/712752622.db2.gz JXHMCTPMXBBKNL-VXGBXAGGSA-N 0 0 230.311 2.480 10 30 BEEERN CC1(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC(F)(F)C1 ZINC000720440681 712843559 /nfs/dbraw/zinc/84/35/59/712843559.db2.gz APFIQJGOXYPTPJ-RKDXNWHRSA-N 0 0 242.269 2.230 10 30 BEEERN C=C(C)CONC(=O)c1ccc(F)c(F)c1 ZINC000137609335 1166457701 /nfs/dbraw/zinc/45/77/01/1166457701.db2.gz RQXNLGFSPFUKBA-UHFFFAOYSA-N 0 0 227.210 2.202 10 30 BEEERN C[C@H](CCC#N)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000695692821 954814244 /nfs/dbraw/zinc/81/42/44/954814244.db2.gz WUEWMLHTUIXNJD-LLVKDONJSA-N 0 0 238.331 2.255 10 30 BEEERN C#C[C@H](C)NC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000588512693 958878276 /nfs/dbraw/zinc/87/82/76/958878276.db2.gz WFLUHBKBXSBDOK-JUDLJHIGSA-N 0 0 231.270 2.367 10 30 BEEERN C#CCC(C)(C)COC(=O)/C=C\c1ccncn1 ZINC000588539734 959014422 /nfs/dbraw/zinc/01/44/22/959014422.db2.gz UKISQTOUEHWJKZ-WAYWQWQTSA-N 0 0 244.294 2.083 10 30 BEEERN O=C1c2cccc(O)c2C/C1=C/c1cocn1 ZINC000588561443 959176494 /nfs/dbraw/zinc/17/64/94/959176494.db2.gz RNCJWUITENCBNY-YWEYNIOJSA-N 0 0 227.219 2.203 10 30 BEEERN C/C=C(/CC)C(=O)OCC1(C#N)CCOCC1 ZINC000588570213 959255354 /nfs/dbraw/zinc/25/53/54/959255354.db2.gz SPANFBKFPOMNLJ-JYOAFUTRSA-N 0 0 237.299 2.206 10 30 BEEERN CCC1(CC)CCN(c2nnccc2C#N)C1 ZINC000123385095 961233417 /nfs/dbraw/zinc/23/34/17/961233417.db2.gz QUKWFMJQNWSVHS-UHFFFAOYSA-N 0 0 230.315 2.365 10 30 BEEERN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000695690184 968958846 /nfs/dbraw/zinc/95/88/46/968958846.db2.gz LRBDOMNFOYAKMM-AAEUAGOBSA-N 0 0 238.331 2.255 10 30 BEEERN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000695690187 968959647 /nfs/dbraw/zinc/95/96/47/968959647.db2.gz LRBDOMNFOYAKMM-YPMHNXCESA-N 0 0 238.331 2.255 10 30 BEEERN C=CCN(CC=C)C(=O)c1ccc(F)cc1N ZINC000062822286 969872975 /nfs/dbraw/zinc/87/29/75/969872975.db2.gz UATYVHRLOSHKNS-UHFFFAOYSA-N 0 0 234.274 2.222 10 30 BEEERN C#C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC000692337118 976425213 /nfs/dbraw/zinc/42/52/13/976425213.db2.gz XQFBZNSEQIDZRY-LLVKDONJSA-N 0 0 247.294 2.131 10 30 BEEERN C[C@H](CCC#N)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000695693023 976801938 /nfs/dbraw/zinc/80/19/38/976801938.db2.gz XSZYBSAGVKNFEM-VXGBXAGGSA-N 0 0 238.331 2.255 10 30 BEEERN C[C@@]1(C#N)CC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000703717516 977177905 /nfs/dbraw/zinc/17/79/05/977177905.db2.gz NSNVHPDRIDBMCK-OCCSQVGLSA-N 0 0 244.294 2.048 10 30 BEEERN C#CC1CC[NH+]([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000709600928 977462084 /nfs/dbraw/zinc/46/20/84/977462084.db2.gz NUNJLVYIIIDYJK-JTQLQIEISA-N 0 0 247.294 2.384 10 30 BEEERN C#CC1CC[NH+](Cc2cc(C(=O)[O-])cs2)CC1 ZINC000711422988 977545822 /nfs/dbraw/zinc/54/58/22/977545822.db2.gz RXZGWLFUCIKDNR-UHFFFAOYSA-N 0 0 249.335 2.292 10 30 BEEERN C=C1CCC(C[NH2+][C@@H](C(=O)[O-])C2CC2)CC1 ZINC000724557660 978229618 /nfs/dbraw/zinc/22/96/18/978229618.db2.gz XVMFRNMUDKSXBO-GFCCVEGCSA-N 0 0 223.316 2.186 10 30 BEEERN C#Cc1cccc(NC(=O)[C@@H](C#N)CC)c1 ZINC000044812644 1171412847 /nfs/dbraw/zinc/41/28/47/1171412847.db2.gz VQOPXSWLGYAODR-LLVKDONJSA-N 0 0 212.252 2.156 10 30 BEEERN C[C@H](C#N)C(=O)Nc1ccc(F)c(F)c1F ZINC000044809601 1171415747 /nfs/dbraw/zinc/41/57/47/1171415747.db2.gz PIKJQSGBRYDYMG-RXMQYKEDSA-N 0 0 228.173 2.202 10 30 BEEERN COc1ccccc1COC(=O)[C@H](C)CC#N ZINC000049822738 1171734200 /nfs/dbraw/zinc/73/42/00/1171734200.db2.gz TWYBCAMHUYESLH-SNVBAGLBSA-N 0 0 233.267 2.288 10 30 BEEERN C#CC(=O)[C@@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000685961842 538908483 /nfs/dbraw/zinc/90/84/83/538908483.db2.gz OTDRQGXKYAPSTR-MNOVXSKESA-N 0 0 249.310 2.048 10 30 BEEERN C#CC(=O)[C@@H]1CC=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000685961839 538908778 /nfs/dbraw/zinc/90/87/78/538908778.db2.gz OTDRQGXKYAPSTR-GHMZBOCLSA-N 0 0 249.310 2.048 10 30 BEEERN C=CC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C ZINC000685961977 538909156 /nfs/dbraw/zinc/90/91/56/538909156.db2.gz QRXBBAKYEZIJEV-SNVBAGLBSA-N 0 0 239.315 2.435 10 30 BEEERN CC(C)CCN(CCC#N)Cc1cncnc1 ZINC000119163482 136212845 /nfs/dbraw/zinc/21/28/45/136212845.db2.gz GREOETHGEMCCFD-UHFFFAOYSA-N 0 0 232.331 2.238 10 30 BEEERN Cc1cc(CN[C@@H]2CCCC[C@@H]2C#N)on1 ZINC000054828009 178032857 /nfs/dbraw/zinc/03/28/57/178032857.db2.gz RNXJFTRHJDUHLB-ZYHUDNBSSA-N 0 0 219.288 2.155 10 30 BEEERN C=C[C@H](O)c1ccc(N)c(Br)c1 ZINC000575516687 398174963 /nfs/dbraw/zinc/17/49/63/398174963.db2.gz BWQLKGCEXOYRMF-VIFPVBQESA-N 0 0 228.089 2.251 10 30 BEEERN Cc1cc(Cc2ccccc2)c(C#N)c(=O)[nH]1 ZINC000082539859 178060148 /nfs/dbraw/zinc/06/01/48/178060148.db2.gz GCBWWWUSHWYPAH-UHFFFAOYSA-N 0 0 224.263 2.146 10 30 BEEERN Cc1cc(N)nn1CCCCCCC#N ZINC000067799396 178110728 /nfs/dbraw/zinc/11/07/28/178110728.db2.gz FOWLJOBSMNVLMI-UHFFFAOYSA-N 0 0 206.293 2.248 10 30 BEEERN Cc1cc(NC(=O)C(C)(C)C)ccc1C#CCO ZINC000037548949 178123737 /nfs/dbraw/zinc/12/37/37/178123737.db2.gz RFAVHXTZORKCSA-UHFFFAOYSA-N 0 0 245.322 2.323 10 30 BEEERN C[C@@H]1[C@@H](O)CCCN1Cc1cccc(C#N)c1F ZINC000335595627 398214143 /nfs/dbraw/zinc/21/41/43/398214143.db2.gz FNZGGAUAOKMZOB-MFKMUULPSA-N 0 0 248.301 2.043 10 30 BEEERN CC(=O)Nc1ccc(SCCC=O)cc1 ZINC000019686197 538927047 /nfs/dbraw/zinc/92/70/47/538927047.db2.gz XUPXXWQGAGUJRI-UHFFFAOYSA-N 0 0 223.297 2.326 10 30 BEEERN Cc1cc(NCC2(CO)CCC2)c(C#N)c(C)n1 ZINC000302090243 178156243 /nfs/dbraw/zinc/15/62/43/178156243.db2.gz AVYKLBNDKUBRTF-UHFFFAOYSA-N 0 0 245.326 2.145 10 30 BEEERN Cc1cc(NC[C@H]2CCCC[C@H]2O)cc(C#N)n1 ZINC000308273987 178168375 /nfs/dbraw/zinc/16/83/75/178168375.db2.gz IVGYJLIJUOQOTM-BXUZGUMPSA-N 0 0 245.326 2.225 10 30 BEEERN Cc1cc(NC[C@H](O)CC(C)C)c(C#N)c(C)n1 ZINC000227593457 178169159 /nfs/dbraw/zinc/16/91/59/178169159.db2.gz IECNYSQLOJQMOO-GFCCVEGCSA-N 0 0 247.342 2.389 10 30 BEEERN Cc1cc(N[C@@H]2CCO[C@@H]2C)c(C#N)c(C)n1 ZINC000149793322 178183196 /nfs/dbraw/zinc/18/31/96/178183196.db2.gz LMPANHTUJQFCRN-ZYHUDNBSSA-N 0 0 231.299 2.159 10 30 BEEERN Cc1cc(N[C@H](C)CCCO)c(C#N)c(C)n1 ZINC000125469992 178185691 /nfs/dbraw/zinc/18/56/91/178185691.db2.gz ZGKJJITVSKFONM-SECBINFHSA-N 0 0 233.315 2.143 10 30 BEEERN Cc1cc(Nc2cn[nH]c2)c(C#N)c(C)n1 ZINC000301797369 178193248 /nfs/dbraw/zinc/19/32/48/178193248.db2.gz UJVCKZCRMJEBDV-UHFFFAOYSA-N 0 0 213.244 2.037 10 30 BEEERN C=C[C@@H](O)C#CC#C[C@H](O)/C=C\CCCCC ZINC000014638895 259302384 /nfs/dbraw/zinc/30/23/84/259302384.db2.gz KZRIUXSFFOWKRO-QMPFAZFSSA-N 0 0 232.323 2.038 10 30 BEEERN C#CC[N@+](C)([O-])[C@H](C)Cc1ccccc1 ZINC000306121607 136225611 /nfs/dbraw/zinc/22/56/11/136225611.db2.gz IVFPCTFUZXEDKP-OCCSQVGLSA-N 0 0 203.285 2.195 10 30 BEEERN Cc1ccc(C#N)c(N(CCCO)C(C)C)c1 ZINC000051596027 178362985 /nfs/dbraw/zinc/36/29/85/178362985.db2.gz LIPOEHUWGVHONY-UHFFFAOYSA-N 0 0 232.327 2.464 10 30 BEEERN Cc1ccc(C#N)cc1NC[C@H]1CCCO1 ZINC000050430413 178366932 /nfs/dbraw/zinc/36/69/32/178366932.db2.gz LBKRJZOWYVKHFY-GFCCVEGCSA-N 0 0 216.284 2.458 10 30 BEEERN C[C@H](S)C(=O)NCc1ccc(Cl)cc1 ZINC000235557827 344000377 /nfs/dbraw/zinc/00/03/77/344000377.db2.gz MYGPFKYYRIZJLL-ZETCQYMHSA-N 0 0 229.732 2.275 10 30 BEEERN C#CCC(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000405829568 538961148 /nfs/dbraw/zinc/96/11/48/538961148.db2.gz KWXQVDKMTXGKDA-UHFFFAOYSA-N 0 0 237.299 2.026 10 30 BEEERN C=CCN(CC(=O)C1CC1)C(=O)OC(C)(C)C ZINC000405594856 538960564 /nfs/dbraw/zinc/96/05/64/538960564.db2.gz JBAHWFNDVNHZOS-UHFFFAOYSA-N 0 0 239.315 2.389 10 30 BEEERN C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@H]1C ZINC000180689372 538958996 /nfs/dbraw/zinc/95/89/96/538958996.db2.gz YDVNRIHMCXUPCL-VWYCJHECSA-N 0 0 210.321 2.439 10 30 BEEERN C=CC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406053957 538962920 /nfs/dbraw/zinc/96/29/20/538962920.db2.gz FVPIHTUNQOXFBP-UWVGGRQHSA-N 0 0 239.315 2.435 10 30 BEEERN C=CC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406053956 538963056 /nfs/dbraw/zinc/96/30/56/538963056.db2.gz FVPIHTUNQOXFBP-NXEZZACHSA-N 0 0 239.315 2.435 10 30 BEEERN CCCCC[C@H]1CC(=O)CC(O)=C1C(=O)OC ZINC000003944873 342739645 /nfs/dbraw/zinc/73/96/45/342739645.db2.gz FETWVVHGLAIOOR-CABZTGNLSA-N 0 0 240.299 2.387 10 30 BEEERN FC(F)(F)c1ccnc(C#CC2CC2)n1 ZINC000585143924 398283486 /nfs/dbraw/zinc/28/34/86/398283486.db2.gz UDGGURGFCYPUHS-UHFFFAOYSA-N 0 0 212.174 2.257 10 30 BEEERN CC(=O)c1cccnc1C#Cc1ccccn1 ZINC000146190938 342767360 /nfs/dbraw/zinc/76/73/60/342767360.db2.gz JLUVPLWPFRQVRJ-UHFFFAOYSA-N 0 0 222.247 2.079 10 30 BEEERN Cc1ccc2c(n1)C(=O)C(Cl)=C(Cl)C2=O ZINC000006071464 342773296 /nfs/dbraw/zinc/77/32/96/342773296.db2.gz BCGVBGNZFXXWMK-UHFFFAOYSA-N 0 0 242.061 2.458 10 30 BEEERN C=C[C@@H](NN)c1cccc(Cl)c1F ZINC000097536325 342807011 /nfs/dbraw/zinc/80/70/11/342807011.db2.gz WBZMWJPXGLVIQJ-MRVPVSSYSA-N 0 0 200.644 2.170 10 30 BEEERN C=CCC1(C(=O)N2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000190212733 538987889 /nfs/dbraw/zinc/98/78/89/538987889.db2.gz SODQLQUBFFDUKW-VXGBXAGGSA-N 0 0 237.343 2.369 10 30 BEEERN N#CCC[C@@H]1CCc2cccnc2C1=O ZINC000144011190 361988012 /nfs/dbraw/zinc/98/80/12/361988012.db2.gz ADTZNJLIVFUXMP-SNVBAGLBSA-N 0 0 200.241 2.130 10 30 BEEERN CCC[C@@]1(C(=O)OCC)OC12CCSCC2 ZINC000212022664 539027435 /nfs/dbraw/zinc/02/74/35/539027435.db2.gz VNQLTEJYJNOXBT-LBPRGKRZSA-N 0 0 244.356 2.384 10 30 BEEERN C#CCOc1c(Br)cccc1OC ZINC000157241284 344006846 /nfs/dbraw/zinc/00/68/46/344006846.db2.gz DEUWPUOXEBIFSN-UHFFFAOYSA-N 0 0 241.084 2.470 10 30 BEEERN CC[C@H]1CSC(Nc2cccnc2)=N1 ZINC000011525756 342841316 /nfs/dbraw/zinc/84/13/16/342841316.db2.gz LXLCQEKCPVAGJH-QMMMGPOBSA-N 0 0 207.302 2.184 10 30 BEEERN CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233310961 342855330 /nfs/dbraw/zinc/85/53/30/342855330.db2.gz YGWLWLXLVQBSHE-RKDXNWHRSA-N 0 0 246.270 2.462 10 30 BEEERN CCC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233440208 342862375 /nfs/dbraw/zinc/86/23/75/342862375.db2.gz YGWLWLXLVQBSHE-IUCAKERBSA-N 0 0 246.270 2.462 10 30 BEEERN C=CCc1c(C)c(O)cc(O)c1C(=O)OCC ZINC000218024806 342868204 /nfs/dbraw/zinc/86/82/04/342868204.db2.gz KOKJKYQOSSPVEQ-UHFFFAOYSA-N 0 0 236.267 2.311 10 30 BEEERN C/C=C/C(=O)c1ccccc1C(=O)OC ZINC000308796561 342871629 /nfs/dbraw/zinc/87/16/29/342871629.db2.gz HPQILADQXMBUHL-ZZXKWVIFSA-N 0 0 204.225 2.232 10 30 BEEERN C=CC(=O)c1ccc(C(=O)OC)cc1C ZINC000308796923 342871676 /nfs/dbraw/zinc/87/16/76/342871676.db2.gz HXIJMORHHIXKJD-UHFFFAOYSA-N 0 0 204.225 2.150 10 30 BEEERN Cc1ccc(C(C)C)cc1OC/C(N)=N/O ZINC000038053048 178455238 /nfs/dbraw/zinc/45/52/38/178455238.db2.gz GJBMAKBCBMFTNI-UHFFFAOYSA-N 0 0 222.288 2.244 10 30 BEEERN N#C[C@H]1CNc2cc(Cl)c(F)cc2O1 ZINC000134474200 342857531 /nfs/dbraw/zinc/85/75/31/342857531.db2.gz UXEJTPHOQMCKCM-YFKPBYRVSA-N 0 0 212.611 2.176 10 30 BEEERN N#CCc1cccc(N[C@@H]2CCCC[C@H]2O)c1 ZINC000313409658 398309992 /nfs/dbraw/zinc/30/99/92/398309992.db2.gz LNSJOTLVZOLZDG-ZIAGYGMSSA-N 0 0 230.311 2.468 10 30 BEEERN CCOc1cc(C#N)c([N+](=O)[O-])cc1C ZINC000308994181 342879711 /nfs/dbraw/zinc/87/97/11/342879711.db2.gz JEVIMTSCGXYELY-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN C[C@@H](C#N)CN[C@@H]1CCc2ccccc21 ZINC000035180685 342885090 /nfs/dbraw/zinc/88/50/90/342885090.db2.gz QLEQHHDUHFVTMC-GXFFZTMASA-N 0 0 200.285 2.423 10 30 BEEERN C[C@@H](C#N)C(=O)N1CCC(c2nccs2)CC1 ZINC000335909366 136261484 /nfs/dbraw/zinc/26/14/84/136261484.db2.gz DALSRJPUSQWOFO-VIFPVBQESA-N 0 0 249.339 2.009 10 30 BEEERN O=C(NCc1c[nH]cn1)C1(C2CC2)CCOCC1 ZINC000329737349 136260945 /nfs/dbraw/zinc/26/09/45/136260945.db2.gz MBQSRDUJYLCHNR-UHFFFAOYSA-N 0 0 249.314 2.073 10 30 BEEERN C[C@H](O)CCc1c[nH]c2ccc(C#N)cc12 ZINC000584882680 343085013 /nfs/dbraw/zinc/08/50/13/343085013.db2.gz XMSKZCGBUVGJGF-VIFPVBQESA-N 0 0 214.268 2.353 10 30 BEEERN Cc1ccc(C)c(S(=O)(=O)C[C@H](C)C#N)c1 ZINC000020223338 178493340 /nfs/dbraw/zinc/49/33/40/178493340.db2.gz JPIVEMPLWUQTGA-SNVBAGLBSA-N 0 0 237.324 2.237 10 30 BEEERN Cc1nc(C)c([C@H](C)N[C@H](C)C#N)s1 ZINC000043515268 343116939 /nfs/dbraw/zinc/11/69/39/343116939.db2.gz OEYXIXGUJODAEP-RQJHMYQMSA-N 0 0 209.318 2.323 10 30 BEEERN CCCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000238253447 259353157 /nfs/dbraw/zinc/35/31/57/259353157.db2.gz DHIJDJUJIWZKOP-UHFFFAOYSA-N 0 0 210.240 2.259 10 30 BEEERN C#CCOc1cc(Br)ccc1C=O ZINC000037475008 343144262 /nfs/dbraw/zinc/14/42/62/343144262.db2.gz JSLHZAOJNYLMKD-UHFFFAOYSA-N 0 0 239.068 2.274 10 30 BEEERN CC(C)[C@H](C)CC(=O)N[C@H](C#N)C1CC1 ZINC000108828942 534934173 /nfs/dbraw/zinc/93/41/73/534934173.db2.gz OOBQVCFHDKADKP-MWLCHTKSSA-N 0 0 208.305 2.087 10 30 BEEERN CN1CCC(=O)/C(=C/c2cccs2)C1 ZINC000169975217 343212951 /nfs/dbraw/zinc/21/29/51/343212951.db2.gz RZQXXCNYOPTWTQ-VQHVLOKHSA-N 0 0 207.298 2.036 10 30 BEEERN C[C@H](C#N)CN1CCc2ccccc2C1 ZINC000031945869 343226608 /nfs/dbraw/zinc/22/66/08/343226608.db2.gz ZRTISBCGBZHVPY-LLVKDONJSA-N 0 0 200.285 2.204 10 30 BEEERN C[C@H](C#N)CN(C)c1cc(Cl)nnc1Cl ZINC000127129291 343234821 /nfs/dbraw/zinc/23/48/21/343234821.db2.gz MIUHRGPLUGHZMR-ZCFIWIBFSA-N 0 0 245.113 2.379 10 30 BEEERN N#CCc1c(Br)cccc1[N+](=O)[O-] ZINC000238065960 343239530 /nfs/dbraw/zinc/23/95/30/343239530.db2.gz IUAHSDCLKADDEZ-UHFFFAOYSA-N 0 0 241.044 2.423 10 30 BEEERN N#Cc1ccc(-c2cc3nccnc3[nH]2)cc1 ZINC000013492958 343296924 /nfs/dbraw/zinc/29/69/24/343296924.db2.gz LJVIXSSNTIXTNB-UHFFFAOYSA-N 0 0 220.235 2.497 10 30 BEEERN CC(C)[C@H]1CCN(c2ncccc2C#N)C1 ZINC000134987730 343350771 /nfs/dbraw/zinc/35/07/71/343350771.db2.gz CUDZWISYMIBYIK-LBPRGKRZSA-N 0 0 215.300 2.436 10 30 BEEERN CC(C)n1cccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000335737424 136350940 /nfs/dbraw/zinc/35/09/40/136350940.db2.gz DUZIJLFUWAULJB-NEPJUHHUSA-N 0 0 245.326 2.491 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000054828657 136373117 /nfs/dbraw/zinc/37/31/17/136373117.db2.gz OWZIPAVHVVZYRO-PWSUYJOCSA-N 0 0 245.282 2.377 10 30 BEEERN C#CCN[C@@]1(C#N)CCSc2ccccc21 ZINC000051962900 166191411 /nfs/dbraw/zinc/19/14/11/166191411.db2.gz NNYJZIHBSXVUCL-CYBMUJFWSA-N 0 0 228.320 2.124 10 30 BEEERN C[C@H]1C[C@H]1COc1cccc(N)c1C#N ZINC000114241711 343678298 /nfs/dbraw/zinc/67/82/98/343678298.db2.gz BYKVXVXEAIRQAA-IUCAKERBSA-N 0 0 202.257 2.175 10 30 BEEERN C[C@H](S[C@H]1CCC[C@@H](C)C1)/C(N)=N/O ZINC000054691361 343690633 /nfs/dbraw/zinc/69/06/33/343690633.db2.gz WIHYKKZPYNFNEC-VGMNWLOBSA-N 0 0 216.350 2.433 10 30 BEEERN COc1ccccc1[C@@H](C)N[C@H](C)C#N ZINC000088162778 343709457 /nfs/dbraw/zinc/70/94/57/343709457.db2.gz YFZJKQILQPIFMN-NXEZZACHSA-N 0 0 204.273 2.258 10 30 BEEERN CCSCc1ccc(C#CCO)s1 ZINC000043683111 343700465 /nfs/dbraw/zinc/70/04/65/343700465.db2.gz VFXRORNYWKLNAR-UHFFFAOYSA-N 0 0 212.339 2.345 10 30 BEEERN C[C@@H](C#N)[C@@H](O)c1occc1Br ZINC000235105184 343745482 /nfs/dbraw/zinc/74/54/82/343745482.db2.gz YKATTZAUAHUASW-CAHLUQPWSA-N 0 0 230.061 2.235 10 30 BEEERN CCO/C=C/C(=O)c1sc(C)nc1C ZINC000082589243 537806747 /nfs/dbraw/zinc/80/67/47/537806747.db2.gz WYKSHLKZZPMUAG-AATRIKPKSA-N 0 0 211.286 2.493 10 30 BEEERN CCn1cc(CC#N)c(-c2ccccn2)n1 ZINC000409441105 343855028 /nfs/dbraw/zinc/85/50/28/343855028.db2.gz WGBFZUFPADKTPP-UHFFFAOYSA-N 0 0 212.256 2.031 10 30 BEEERN C#CCn1nc(-c2ccsc2)c2c1CCOC2 ZINC000409437282 343842848 /nfs/dbraw/zinc/84/28/48/343842848.db2.gz FPZBMBSDCAUSNU-UHFFFAOYSA-N 0 0 244.319 2.318 10 30 BEEERN CN(C)c1ccc([C@H](C#N)N2CCCC2)o1 ZINC000409438637 343844830 /nfs/dbraw/zinc/84/48/30/343844830.db2.gz DJCMBJPBGPZXGO-JTQLQIEISA-N 0 0 219.288 2.006 10 30 BEEERN C#CCn1nc(-c2cccnc2)cc1C1CC1 ZINC000409438808 343845420 /nfs/dbraw/zinc/84/54/20/343845420.db2.gz FZTYYTILOWAWKJ-UHFFFAOYSA-N 0 0 223.279 2.456 10 30 BEEERN C#CCn1ccn2nc(-c3ccsc3)cc12 ZINC000409439686 343847860 /nfs/dbraw/zinc/84/78/60/343847860.db2.gz SXCVYTVTWOKOQL-UHFFFAOYSA-N 0 0 227.292 2.498 10 30 BEEERN CCn1cc(CC=O)c(-c2cccs2)n1 ZINC000409439581 343847955 /nfs/dbraw/zinc/84/79/55/343847955.db2.gz PVIXXEFFBKTUQM-UHFFFAOYSA-N 0 0 220.297 2.373 10 30 BEEERN O=CCn1nc(-c2ccncc2)cc1C1CC1 ZINC000409442177 343857216 /nfs/dbraw/zinc/85/72/16/343857216.db2.gz XGLGVWXTLABKQS-UHFFFAOYSA-N 0 0 227.267 2.021 10 30 BEEERN O=CCc1cn(CCF)nc1-c1cccs1 ZINC000409440400 343851585 /nfs/dbraw/zinc/85/15/85/343851585.db2.gz SUGFSADCPKCOBI-UHFFFAOYSA-N 0 0 238.287 2.323 10 30 BEEERN C#CCn1ccn2nc(C3CCCC3)cc12 ZINC000409440631 343852826 /nfs/dbraw/zinc/85/28/26/343852826.db2.gz YBZFMZXFGYGMEB-UHFFFAOYSA-N 0 0 213.284 2.427 10 30 BEEERN C(#CC1CC1)c1ncnc2ccsc21 ZINC000585143904 343878794 /nfs/dbraw/zinc/87/87/94/343878794.db2.gz SAQNSABNRHYOMG-UHFFFAOYSA-N 0 0 200.266 2.453 10 30 BEEERN CC(C)(O)C#Cc1nccc2sccc21 ZINC000585144850 343880050 /nfs/dbraw/zinc/88/00/50/343880050.db2.gz JKFSXLLFVHVKSN-UHFFFAOYSA-N 0 0 217.293 2.419 10 30 BEEERN Cc1nnc(C#Cc2ccccc2)s1 ZINC000585144900 343880085 /nfs/dbraw/zinc/88/00/85/343880085.db2.gz MOGISARCDPAHAP-UHFFFAOYSA-N 0 0 200.266 2.246 10 30 BEEERN CCOC(=O)[C@H]1O[C@]12CCCC21CCCC1 ZINC000328276392 537828855 /nfs/dbraw/zinc/82/88/55/537828855.db2.gz OPVQTPXRRLOLQB-ZWNOBZJWSA-N 0 0 224.300 2.431 10 30 BEEERN COC(=O)[C@@]1(C)O[C@@]12CCCC21CCCC1 ZINC000328234893 537828989 /nfs/dbraw/zinc/82/89/89/537828989.db2.gz FLLCLZXBGAVZDL-YPMHNXCESA-N 0 0 224.300 2.431 10 30 BEEERN N#CCc1cc(C(F)(F)F)nn1C(F)F ZINC000409442960 343865251 /nfs/dbraw/zinc/86/52/51/343865251.db2.gz DQTQSEYZBCJRIR-UHFFFAOYSA-N 0 0 225.120 2.363 10 30 BEEERN Cn1nc(-c2ccsc2)cc1CC#N ZINC000409443473 343867084 /nfs/dbraw/zinc/86/70/84/343867084.db2.gz NOOHQOPUDYCJNL-UHFFFAOYSA-N 0 0 203.270 2.215 10 30 BEEERN C#CCOc1ccc([C@H](C)O)cc1Cl ZINC000127168865 343885019 /nfs/dbraw/zinc/88/50/19/343885019.db2.gz QLKFTAVMMUXCEJ-QMMMGPOBSA-N 0 0 210.660 2.405 10 30 BEEERN C#CCn1nc(-c2cccs2)cc1C#N ZINC000409443571 343867779 /nfs/dbraw/zinc/86/77/79/343867779.db2.gz PSUNCPXCDBKWIY-UHFFFAOYSA-N 0 0 213.265 2.116 10 30 BEEERN C[C@@H](NCc1ccc(C#N)o1)c1cccnc1 ZINC000135131531 343940357 /nfs/dbraw/zinc/94/03/57/343940357.db2.gz JFESDFRZHMTBBX-SNVBAGLBSA-N 0 0 227.267 2.397 10 30 BEEERN CC[C@H]1CCC[C@@H]1NC(=O)C#CBr ZINC000307126595 343915828 /nfs/dbraw/zinc/91/58/28/343915828.db2.gz IHYUDGXQMGRQLR-IUCAKERBSA-N 0 0 244.132 2.037 10 30 BEEERN C[C@H](C#N)NC(=O)c1cscc1Cl ZINC000601018964 344093643 /nfs/dbraw/zinc/09/36/43/344093643.db2.gz ZLQSSFWBOZIPNK-RXMQYKEDSA-N 0 0 214.677 2.043 10 30 BEEERN OCCCC#Cc1ccc(C(F)(F)F)cn1 ZINC000585145103 344179953 /nfs/dbraw/zinc/17/99/53/344179953.db2.gz XNEDULRZLYHRTM-UHFFFAOYSA-N 0 0 229.201 2.224 10 30 BEEERN COCC#Cc1cc(C(F)(F)F)ccn1 ZINC000585145262 344180357 /nfs/dbraw/zinc/18/03/57/344180357.db2.gz JXKIYJBVACZJKW-UHFFFAOYSA-N 0 0 215.174 2.098 10 30 BEEERN CO[C@H]1CCC[C@@](Br)(C#N)C1 ZINC000234785477 344258041 /nfs/dbraw/zinc/25/80/41/344258041.db2.gz XFFYJCKXHXBSQJ-YUMQZZPRSA-N 0 0 218.094 2.233 10 30 BEEERN C#CCOc1cc(N)cc(Br)c1 ZINC000236334789 344356608 /nfs/dbraw/zinc/35/66/08/344356608.db2.gz HALWUZAIMLAHSM-UHFFFAOYSA-N 0 0 226.073 2.043 10 30 BEEERN C=CC(=O)c1cnccc1C(F)(F)F ZINC000236129917 344299849 /nfs/dbraw/zinc/29/98/49/344299849.db2.gz QXWWKEVVMKECIS-UHFFFAOYSA-N 0 0 201.147 2.469 10 30 BEEERN C#CCSc1nc2ccccc2n1C ZINC000004718319 166204127 /nfs/dbraw/zinc/20/41/27/166204127.db2.gz OSQWPBUYKPLRSS-UHFFFAOYSA-N 0 0 202.282 2.299 10 30 BEEERN C[C@@H](CS)Cn1cnc2c1CCCC2 ZINC000127428354 344375050 /nfs/dbraw/zinc/37/50/50/344375050.db2.gz ZBDGKVSUVDWANZ-SECBINFHSA-N 0 0 210.346 2.328 10 30 BEEERN N#Cc1cc(OC(F)F)c(Br)cn1 ZINC000306822289 344448475 /nfs/dbraw/zinc/44/84/75/344448475.db2.gz MZGUMWJYVOIVPN-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN COc1ccccc1-c1cnc(C#N)o1 ZINC000409427529 344451010 /nfs/dbraw/zinc/45/10/10/344451010.db2.gz JMYJENFCJGXNDJ-UHFFFAOYSA-N 0 0 200.197 2.222 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NCC(F)(F)F ZINC000054824490 344456383 /nfs/dbraw/zinc/45/63/83/344456383.db2.gz KNDJKEHJMZVAAZ-JGVFFNPUSA-N 0 0 206.211 2.221 10 30 BEEERN Cc1nc(C#N)cc(Cc2ccsc2)n1 ZINC000409437401 344462340 /nfs/dbraw/zinc/46/23/40/344462340.db2.gz GEVLMWQHXAHQMY-UHFFFAOYSA-N 0 0 215.281 2.309 10 30 BEEERN C[C@H](C#N)CN(Cc1ccco1)C1CC1 ZINC000042692991 344462678 /nfs/dbraw/zinc/46/26/78/344462678.db2.gz NHOHERPYFYPSQK-SNVBAGLBSA-N 0 0 204.273 2.404 10 30 BEEERN N#Cc1c(-c2cccnc2)n[nH]c1C1CC1 ZINC000409439485 344462986 /nfs/dbraw/zinc/46/29/86/344462986.db2.gz IMIUPFJYUQTHEN-UHFFFAOYSA-N 0 0 210.240 2.221 10 30 BEEERN N#C[C@@]1(N)CCc2cc(Br)ccc21 ZINC000127567400 344564384 /nfs/dbraw/zinc/56/43/84/344564384.db2.gz FPFWBQICAUNCBH-JTQLQIEISA-N 0 0 237.100 2.073 10 30 BEEERN COC(C)(C)C[C@](C)(Br)C#N ZINC000127630383 344580281 /nfs/dbraw/zinc/58/02/81/344580281.db2.gz MRYACMOXBAPHHW-QMMMGPOBSA-N 0 0 220.110 2.479 10 30 BEEERN COc1cncc(C(F)(F)F)c1CC#N ZINC000396109405 344604972 /nfs/dbraw/zinc/60/49/72/344604972.db2.gz YATNGGAZSFEXEQ-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1cncc([N+](=O)[O-])c1C(F)(F)F ZINC000396116434 344607003 /nfs/dbraw/zinc/60/70/03/344607003.db2.gz CYXJHDNYWBLLBU-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C=C[C@@H](NN)c1cc(F)c(Cl)cc1F ZINC000158438491 344651286 /nfs/dbraw/zinc/65/12/86/344651286.db2.gz HCBHBCFMCBYHLQ-SECBINFHSA-N 0 0 218.634 2.309 10 30 BEEERN C=C[C@H](NN)c1sccc1Br ZINC000158442693 344655602 /nfs/dbraw/zinc/65/56/02/344655602.db2.gz FQEZUKGUDAROEN-LURJTMIESA-N 0 0 233.134 2.201 10 30 BEEERN C#CCOc1ccc(Cl)cc1[C@@H](C)O ZINC000050210767 344657358 /nfs/dbraw/zinc/65/73/58/344657358.db2.gz DGQMRWXTFRTMMQ-MRVPVSSYSA-N 0 0 210.660 2.405 10 30 BEEERN C#CCOc1ccc(Cl)cc1[C@H](C)O ZINC000050210766 344657384 /nfs/dbraw/zinc/65/73/84/344657384.db2.gz DGQMRWXTFRTMMQ-QMMMGPOBSA-N 0 0 210.660 2.405 10 30 BEEERN N#Cc1ccc(-c2ncsc2N)cc1 ZINC000050307992 344670882 /nfs/dbraw/zinc/67/08/82/344670882.db2.gz AHKWVUAGZONWIS-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN COC(=O)c1c(F)cc(Cl)cc1C#N ZINC000306983965 344648654 /nfs/dbraw/zinc/64/86/54/344648654.db2.gz UPFYJGOSKMJMSN-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN O=C1C=C(c2ccncc2[N+](=O)[O-])CCC1 ZINC000116907647 344737587 /nfs/dbraw/zinc/73/75/87/344737587.db2.gz DEAJXFAHZBDKEZ-UHFFFAOYSA-N 0 0 218.212 2.126 10 30 BEEERN N#Cc1ccncc1-n1ccc(C(F)(F)F)n1 ZINC000135617762 344805538 /nfs/dbraw/zinc/80/55/38/344805538.db2.gz YRHTZAIXQGVCBS-UHFFFAOYSA-N 0 0 238.172 2.158 10 30 BEEERN CS[C@@H]1CC[C@H](NC2=CC(=O)CC2)C1 ZINC000235144384 344819524 /nfs/dbraw/zinc/81/95/24/344819524.db2.gz SASDKLHMXUPPHZ-GXSJLCMTSA-N 0 0 211.330 2.107 10 30 BEEERN CC(C)(C#N)C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000378082483 534970819 /nfs/dbraw/zinc/97/08/19/534970819.db2.gz HESYXAGYRLWAPR-MNOVXSKESA-N 0 0 220.316 2.327 10 30 BEEERN COS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000221364405 537864377 /nfs/dbraw/zinc/86/43/77/537864377.db2.gz YXUNYIARZZKVEH-UHFFFAOYSA-N 0 0 240.202 2.041 10 30 BEEERN Cc1cccc(N(C)C(=O)[C@@H](C)S)c1 ZINC000235255426 344861302 /nfs/dbraw/zinc/86/13/02/344861302.db2.gz MCTVBOVHMKRTPH-SECBINFHSA-N 0 0 209.314 2.276 10 30 BEEERN C[C@@H](S)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000235265719 344864075 /nfs/dbraw/zinc/86/40/75/344864075.db2.gz ZFBWTGYGWMHFIH-HRDYMLBCSA-N 0 0 201.335 2.094 10 30 BEEERN Cc1ccc(N[C@@]2(C#N)CN3CCC2CC3)cc1 ZINC000037935654 178773873 /nfs/dbraw/zinc/77/38/73/178773873.db2.gz UAXPZRPVTRYNFU-HNNXBMFYSA-N 0 0 241.338 2.395 10 30 BEEERN C[C@H](C#N)C(=O)c1ccoc1Br ZINC000235421567 344906324 /nfs/dbraw/zinc/90/63/24/344906324.db2.gz RKJHQIPFDSFFRF-RXMQYKEDSA-N 0 0 228.045 2.384 10 30 BEEERN C#C[C@H](C)OCc1cnc(Cl)s1 ZINC000235571202 344947290 /nfs/dbraw/zinc/94/72/90/344947290.db2.gz VBOWSDKFLDBUFI-LURJTMIESA-N 0 0 201.678 2.335 10 30 BEEERN C[C@H](C=O)Sc1nc2ccccc2[nH]1 ZINC000238425702 345047317 /nfs/dbraw/zinc/04/73/17/345047317.db2.gz BOPJVCJZVXRTLR-SSDOTTSWSA-N 0 0 206.270 2.242 10 30 BEEERN CCN(C)c1nc(Cl)c(C#N)s1 ZINC000307148273 345034870 /nfs/dbraw/zinc/03/48/70/345034870.db2.gz INYNSOBALICDEE-UHFFFAOYSA-N 0 0 201.682 2.124 10 30 BEEERN COc1cccc(OC)c1C1(C#N)CC1 ZINC000238384101 345036782 /nfs/dbraw/zinc/03/67/82/345036782.db2.gz LXLMNPXKXSFBHH-UHFFFAOYSA-N 0 0 203.241 2.259 10 30 BEEERN CCOc1cc(C#N)cc(CC#N)c1OC ZINC000044369484 345041910 /nfs/dbraw/zinc/04/19/10/345041910.db2.gz TXKHRGHLRXZQBD-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN CC#CCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000155335745 345077770 /nfs/dbraw/zinc/07/77/70/345077770.db2.gz VRVOOQLWSYFNLP-UHFFFAOYSA-N 0 0 231.343 2.013 10 30 BEEERN N#CCc1cc(OC(F)(F)F)ccc1N ZINC000238609678 345092585 /nfs/dbraw/zinc/09/25/85/345092585.db2.gz OARPTUJPLJVMQF-UHFFFAOYSA-N 0 0 216.162 2.233 10 30 BEEERN CC[C@](C)(C#N)C(=O)N[C@@H]1COc2ccccc21 ZINC000136257171 345493278 /nfs/dbraw/zinc/49/32/78/345493278.db2.gz GDUKBYZYPIBIAR-BXUZGUMPSA-N 0 0 244.294 2.176 10 30 BEEERN C#C[C@@H](C)Nc1nc(Cl)ncc1Cl ZINC000229335083 345510889 /nfs/dbraw/zinc/51/08/89/345510889.db2.gz LBVIRMJRVFDECP-RXMQYKEDSA-N 0 0 216.071 2.217 10 30 BEEERN Cc1cccc(C#N)c1SC1COC1 ZINC000221502302 345601941 /nfs/dbraw/zinc/60/19/41/345601941.db2.gz VKRIVBOMTGNOKK-UHFFFAOYSA-N 0 0 205.282 2.358 10 30 BEEERN CCOC(=O)c1cc2ccc(C#N)cc2n1C ZINC000113586190 345754031 /nfs/dbraw/zinc/75/40/31/345754031.db2.gz UOOCKMFBKZWHDS-UHFFFAOYSA-N 0 0 228.251 2.227 10 30 BEEERN C=C(C)C(=O)OCCOCc1ccccc1 ZINC000113555532 345754416 /nfs/dbraw/zinc/75/44/16/345754416.db2.gz CWVFILUMTNJKBN-UHFFFAOYSA-N 0 0 220.268 2.323 10 30 BEEERN CN(C)C=Nc1nc2ccc(O)cc2s1 ZINC000256013036 345764834 /nfs/dbraw/zinc/76/48/34/345764834.db2.gz YFJJQIUNFRZYIL-UHFFFAOYSA-N 0 0 221.285 2.223 10 30 BEEERN CC1(C)C=C(I)C(=O)C1 ZINC000139207579 345792429 /nfs/dbraw/zinc/79/24/29/345792429.db2.gz QKVAZBBWIBEJHK-UHFFFAOYSA-N 0 0 236.052 2.304 10 30 BEEERN C#C[C@@H](OC)c1cc(OC)c(OC)c(OC)c1 ZINC000035259691 345847076 /nfs/dbraw/zinc/84/70/76/345847076.db2.gz FGFUTFVZUVKWER-SNVBAGLBSA-N 0 0 236.267 2.033 10 30 BEEERN O=CCCCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000035087279 345849347 /nfs/dbraw/zinc/84/93/47/345849347.db2.gz XTCXHYULSLGEGU-UHFFFAOYSA-N 0 0 249.354 2.441 10 30 BEEERN C=CC(F)(F)[C@H](O)COCc1ccccc1 ZINC000034557556 345831416 /nfs/dbraw/zinc/83/14/16/345831416.db2.gz NDIYZYWPUUYBOZ-LLVKDONJSA-N 0 0 228.238 2.385 10 30 BEEERN Cc1cc(F)c([C@@]2(C)O[C@@H]2C#N)cc1F ZINC000306412424 537914529 /nfs/dbraw/zinc/91/45/29/537914529.db2.gz QTFJCQCLGVXRDK-GHMZBOCLSA-N 0 0 209.195 2.411 10 30 BEEERN COc1cc(OC(F)(F)F)c(CC#N)cn1 ZINC000309502172 347088147 /nfs/dbraw/zinc/08/81/47/347088147.db2.gz IEAZABXCOYZCPX-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN N#Cc1cc(Br)c([N+](=O)[O-])cc1F ZINC000307663209 345884151 /nfs/dbraw/zinc/88/41/51/345884151.db2.gz ZLQFNNWMAPQZBF-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN CCO[C@H]1C[C@@H](C)C2=C(CCCC2=O)O1 ZINC000143033085 345885486 /nfs/dbraw/zinc/88/54/86/345885486.db2.gz JQSVMOMBBHQBSL-LDYMZIIASA-N 0 0 210.273 2.413 10 30 BEEERN C/C(=N\O)c1cnc(-c2cccnc2)s1 ZINC000145100208 345929712 /nfs/dbraw/zinc/92/97/12/345929712.db2.gz PNRROOAFZALIBL-NTUHNPAUSA-N 0 0 219.269 2.403 10 30 BEEERN Cn1nccc1C1=CC(C)(C)CCC1=O ZINC000144230580 345918472 /nfs/dbraw/zinc/91/84/72/345918472.db2.gz IOXWBNKNPODQGB-UHFFFAOYSA-N 0 0 204.273 2.193 10 30 BEEERN [O-]/N=C(/CN(O)/C=C1\C=CC=[NH+]1)c1cccs1 ZINC000136184314 345956830 /nfs/dbraw/zinc/95/68/30/345956830.db2.gz LHPDDXMKUKIHBH-KCOVVYJESA-N 0 0 249.295 2.100 10 30 BEEERN [O-]/N=C/c1[nH+]c(C(F)(F)F)n2ccccc12 ZINC000033960849 345956844 /nfs/dbraw/zinc/95/68/44/345956844.db2.gz WKNTUEOPYPQXBR-WLRTZDKTSA-N 0 0 229.161 2.161 10 30 BEEERN C=CCCC[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000182580735 345935870 /nfs/dbraw/zinc/93/58/70/345935870.db2.gz SLNNRLRHQNDZAZ-TUAOUCFPSA-N 0 0 225.332 2.415 10 30 BEEERN C[C@@H]1C[C@@H](C(=O)NCC#N)CC(C)(C)C1 ZINC000184209482 345941221 /nfs/dbraw/zinc/94/12/21/345941221.db2.gz VQNFBNKUSPOLMU-NXEZZACHSA-N 0 0 208.305 2.089 10 30 BEEERN CCCCO/N=C(C#N)/C(Cl)=N/OCC ZINC000148788125 346050293 /nfs/dbraw/zinc/05/02/93/346050293.db2.gz SONBJXCJZMULDQ-UQXQTEIVSA-N 0 0 231.683 2.271 10 30 BEEERN O=C[C@]1(c2ccccc2)CCCC2(C1)OCCO2 ZINC000150199609 346168434 /nfs/dbraw/zinc/16/84/34/346168434.db2.gz UJOFAYBRDAZHOU-AWEZNQCLSA-N 0 0 246.306 2.440 10 30 BEEERN O=C[C@@]1(c2ccccc2)CCCC2(C1)OCCO2 ZINC000150199403 346168659 /nfs/dbraw/zinc/16/86/59/346168659.db2.gz UJOFAYBRDAZHOU-CQSZACIVSA-N 0 0 246.306 2.440 10 30 BEEERN C=CCNC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000005638995 346293693 /nfs/dbraw/zinc/29/36/93/346293693.db2.gz HZAULKIVRZUAFS-UHFFFAOYSA-N 0 0 237.284 2.067 10 30 BEEERN Cc1cccc(C)c1/N=C1\SCC(=O)N1C ZINC000048523934 179029205 /nfs/dbraw/zinc/02/92/05/179029205.db2.gz PDIURVNVIHFRNI-SEYXRHQNSA-N 0 0 234.324 2.496 10 30 BEEERN C=CC[C@H](C)n1cc(Br)c(N)n1 ZINC000715024888 537968052 /nfs/dbraw/zinc/96/80/52/537968052.db2.gz VAEOSWRGXRJZDD-LURJTMIESA-N 0 0 230.109 2.365 10 30 BEEERN C#CCN(C)c1ncc(C)cc1Br ZINC000163511890 346564325 /nfs/dbraw/zinc/56/43/25/346564325.db2.gz HPTUZCSIVVAEQD-UHFFFAOYSA-N 0 0 239.116 2.222 10 30 BEEERN Cc1nc(C#N)sc1-c1cncs1 ZINC000669379932 537983027 /nfs/dbraw/zinc/98/30/27/537983027.db2.gz IOLINSRUVCGDPK-UHFFFAOYSA-N 0 0 207.283 2.447 10 30 BEEERN Cc1cccc(N2C[C@@H](C#N)CC2=O)c1C ZINC000011894179 179123902 /nfs/dbraw/zinc/12/39/02/179123902.db2.gz HXJVTNSXGIDSHO-LLVKDONJSA-N 0 0 214.268 2.180 10 30 BEEERN C[C@](O)(CC=O)c1cc(F)ccc1Cl ZINC000164363889 346602305 /nfs/dbraw/zinc/60/23/05/346602305.db2.gz GSGRMTUUABNRHE-JTQLQIEISA-N 0 0 216.639 2.276 10 30 BEEERN N#Cc1cnccc1N1CC[C@@H](C(F)F)C1 ZINC000588040694 346627590 /nfs/dbraw/zinc/62/75/90/346627590.db2.gz KPMZPOOIIZHUDN-MRVPVSSYSA-N 0 0 223.226 2.045 10 30 BEEERN N#Cc1cccc(N2CC[C@H](C(F)F)C2)n1 ZINC000588040618 346627664 /nfs/dbraw/zinc/62/76/64/346627664.db2.gz HADLJIXXWWKFMW-QMMMGPOBSA-N 0 0 223.226 2.045 10 30 BEEERN C=C(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000021125801 187369992 /nfs/dbraw/zinc/36/99/92/187369992.db2.gz UFOBVMUAUGZWBL-UHFFFAOYSA-N 0 0 236.227 2.118 10 30 BEEERN C#CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019875593 187370159 /nfs/dbraw/zinc/37/01/59/187370159.db2.gz WTPRYKPXNPHUNH-UHFFFAOYSA-N 0 0 230.094 2.422 10 30 BEEERN C=C(C)CN(CC)C(=O)c1ccc(O)cc1 ZINC000019839073 187370731 /nfs/dbraw/zinc/37/07/31/187370731.db2.gz YLCKQCFFWFANIM-UHFFFAOYSA-N 0 0 219.284 2.430 10 30 BEEERN Cc1cccc(N[C@@]2(C#N)CCN(C)C2)c1 ZINC000061990885 179155861 /nfs/dbraw/zinc/15/58/61/179155861.db2.gz CXFDVTQAZINANP-CYBMUJFWSA-N 0 0 215.300 2.005 10 30 BEEERN CCc1nn(C)cc1CN[C@H]1CCCC[C@H]1C#N ZINC000168709981 346741701 /nfs/dbraw/zinc/74/17/01/346741701.db2.gz TYBTUNSVDRBGAN-FZMZJTMJSA-N 0 0 246.358 2.154 10 30 BEEERN COc1ncc(OC(F)(F)F)cc1CC#N ZINC000309562528 347104429 /nfs/dbraw/zinc/10/44/29/347104429.db2.gz PLDOWYWDKHSONV-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN COC(=O)CCCC[C@H]1O[C@H]1c1cccnc1 ZINC000038868552 347168693 /nfs/dbraw/zinc/16/86/93/347168693.db2.gz IBYPRHCBTKBJKL-YPMHNXCESA-N 0 0 235.283 2.255 10 30 BEEERN N#C[C@@H](NC(=O)CCc1ccc(F)cc1)C1CC1 ZINC000108837756 347209929 /nfs/dbraw/zinc/20/99/29/347209929.db2.gz ZAJVNNHXOIYTKU-CYBMUJFWSA-N 0 0 246.285 2.177 10 30 BEEERN Cc1ncccc1CN[C@H]1CCC[C@H]1C#N ZINC000309836546 347183747 /nfs/dbraw/zinc/18/37/47/347183747.db2.gz BJARLADFOGDJCB-AAEUAGOBSA-N 0 0 215.300 2.172 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)nc1C ZINC000318818097 347213615 /nfs/dbraw/zinc/21/36/15/347213615.db2.gz VLHUJXMYAXQKCY-NWDGAFQWSA-N 0 0 243.310 2.121 10 30 BEEERN C[Si](C)(C)C#Cc1ccc(C=O)cn1 ZINC000206055927 347235074 /nfs/dbraw/zinc/23/50/74/347235074.db2.gz HPCCNAPRISABKL-UHFFFAOYSA-N 0 0 203.317 2.123 10 30 BEEERN Cc1cc(OCC(F)(F)F)cnc1C#N ZINC000118122422 347361431 /nfs/dbraw/zinc/36/14/31/347361431.db2.gz UTQOHHMAZBGUOF-UHFFFAOYSA-N 0 0 216.162 2.203 10 30 BEEERN CC(=O)C[C@@H]1CCCCCN1[C@H](C)C#N ZINC000251059483 362834751 /nfs/dbraw/zinc/83/47/51/362834751.db2.gz UZDBMTUUSQPVDN-PWSUYJOCSA-N 0 0 208.305 2.122 10 30 BEEERN CCOC(=O)[C@H](C)N=C(SC)SC ZINC000196131313 347484735 /nfs/dbraw/zinc/48/47/35/347484735.db2.gz WFVXCVWNIQZFEE-LURJTMIESA-N 0 0 221.347 2.020 10 30 BEEERN C=CC1CCN(C(=O)c2ccc(COC)o2)CC1 ZINC000110967751 347471567 /nfs/dbraw/zinc/47/15/67/347471567.db2.gz RZOISBOKQDWFSY-UHFFFAOYSA-N 0 0 249.310 2.464 10 30 BEEERN Cc1ccccc1-c1nnc(CS)o1 ZINC000057938357 179239601 /nfs/dbraw/zinc/23/96/01/179239601.db2.gz JKIWWZNEFVCXBY-UHFFFAOYSA-N 0 0 206.270 2.475 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C#N)C1 ZINC000149926843 347570582 /nfs/dbraw/zinc/57/05/82/347570582.db2.gz LHUKLMWDVACRKQ-IUCAKERBSA-N 0 0 210.277 2.203 10 30 BEEERN Cc1ccccc1CCc1nc(C#N)c(N)o1 ZINC000077341047 179267430 /nfs/dbraw/zinc/26/74/30/179267430.db2.gz NVXHMAAAUFDEIL-UHFFFAOYSA-N 0 0 227.267 2.222 10 30 BEEERN Cc1ccccc1CSC[C@@H](N)C#N ZINC000054964619 179287888 /nfs/dbraw/zinc/28/78/88/179287888.db2.gz LMDRJCGXFXYQQU-NSHDSACASA-N 0 0 206.314 2.079 10 30 BEEERN Cc1ccccc1N[C@H](C#N)[C@@H]1CCOC1 ZINC000037937948 179307349 /nfs/dbraw/zinc/30/73/49/179307349.db2.gz WECMTHZMGVPCKL-DGCLKSJQSA-N 0 0 216.284 2.336 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000593504771 347907671 /nfs/dbraw/zinc/90/76/71/347907671.db2.gz YAXSVPQEPMEEOY-HTOAHKCRSA-N 0 0 244.338 2.397 10 30 BEEERN N#C[C@H]1CCC[C@@H]1Sc1ncccn1 ZINC000037155929 348025358 /nfs/dbraw/zinc/02/53/58/348025358.db2.gz PFRLIESJGPOLME-BDAKNGLRSA-N 0 0 205.286 2.261 10 30 BEEERN C=C(C)COc1cccc(N2CCOCC2=O)c1 ZINC000725244407 537997514 /nfs/dbraw/zinc/99/75/14/537997514.db2.gz NVTGWLAFMPWJPU-UHFFFAOYSA-N 0 0 247.294 2.005 10 30 BEEERN Cc1c(C#N)c(N)nc2ccc(F)cc12 ZINC000725244900 538000343 /nfs/dbraw/zinc/00/03/43/538000343.db2.gz YPQNLYOASUEWBY-UHFFFAOYSA-N 0 0 201.204 2.136 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NCc1cncc(F)c1 ZINC000595695591 348306333 /nfs/dbraw/zinc/30/63/33/348306333.db2.gz WRZSWKPTWZXVCV-DGCLKSJQSA-N 0 0 233.290 2.393 10 30 BEEERN COc1cncc(CN[C@@H]2CCCC[C@@H]2C#N)c1 ZINC000595687712 348313017 /nfs/dbraw/zinc/31/30/17/348313017.db2.gz DCRVQJSHCVXQQB-TZMCWYRMSA-N 0 0 245.326 2.262 10 30 BEEERN Cc1cccnc1[C@@H](C#N)C(=O)OC(C)(C)C ZINC000091353017 179396980 /nfs/dbraw/zinc/39/69/80/179396980.db2.gz HGHHYAFBRARZIR-SNVBAGLBSA-N 0 0 232.283 2.339 10 30 BEEERN CC[C@@H]1CC[C@H](C#N)[C@@H]([S@](=O)CC)C1 ZINC000251599226 362889616 /nfs/dbraw/zinc/88/96/16/362889616.db2.gz KIFOZGKSLMLMMX-NJBDSQKTSA-N 0 0 213.346 2.473 10 30 BEEERN N#Cc1cnc2ccc(Cl)cc2c1OCCO ZINC000053994712 187395339 /nfs/dbraw/zinc/39/53/39/187395339.db2.gz YQVUVQUUTLPCDZ-UHFFFAOYSA-N 0 0 248.669 2.131 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000264552885 187397950 /nfs/dbraw/zinc/39/79/50/187397950.db2.gz ZIGNPRSBZCGQNZ-SVRRBLITSA-N 0 0 207.664 2.427 10 30 BEEERN Cc1ccnc([C@@H](C#N)C(=O)OC(C)(C)C)c1 ZINC000091353028 179464999 /nfs/dbraw/zinc/46/49/99/179464999.db2.gz AEAVNQOARYQBLF-SNVBAGLBSA-N 0 0 232.283 2.339 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NCc1cnc2n1CCC2 ZINC000597195588 348672092 /nfs/dbraw/zinc/67/20/92/348672092.db2.gz KQRVBHYKIHGQJQ-WCQYABFASA-N 0 0 244.342 2.001 10 30 BEEERN Cc1cnc(Oc2ccc(C#N)cc2N)nc1 ZINC000063049000 179643605 /nfs/dbraw/zinc/64/36/05/179643605.db2.gz GIMSRKIGXNVFAQ-UHFFFAOYSA-N 0 0 226.239 2.031 10 30 BEEERN C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000328999577 538018065 /nfs/dbraw/zinc/01/80/65/538018065.db2.gz XCSXRPGYKLAHSH-LLHIFLOGSA-N 0 0 239.315 2.126 10 30 BEEERN Cc1ccc(CN2[C@H](C)COC[C@@H]2C)cc1C#N ZINC000599298963 349140243 /nfs/dbraw/zinc/14/02/43/349140243.db2.gz CANLPONWWQAJBE-BETUJISGSA-N 0 0 244.338 2.476 10 30 BEEERN Fc1ccc(-c2cc(CS)no2)nc1 ZINC000725252109 538031757 /nfs/dbraw/zinc/03/17/57/538031757.db2.gz DSLJPYRBQWKLDU-UHFFFAOYSA-N 0 0 210.233 2.306 10 30 BEEERN CC#CCC(=O)c1ccc(OC)c(F)c1 ZINC000167876973 349292338 /nfs/dbraw/zinc/29/23/38/349292338.db2.gz ZTLVVPFBLOTSBV-UHFFFAOYSA-N 0 0 206.216 2.430 10 30 BEEERN O[C@H](CC#Cc1ccsc1)C(F)(F)F ZINC000616581060 349261292 /nfs/dbraw/zinc/26/12/92/349261292.db2.gz CMTNIDUDVFERPB-MRVPVSSYSA-N 0 0 220.215 2.413 10 30 BEEERN N#Cc1ccccc1-n1cc(Cl)cn1 ZINC000038053457 349302418 /nfs/dbraw/zinc/30/24/18/349302418.db2.gz AVQKWURKXBSUOB-UHFFFAOYSA-N 0 0 203.632 2.397 10 30 BEEERN Cc1noc(C)c1CN[C@H]1CCCC[C@@H]1C#N ZINC000092339551 362945720 /nfs/dbraw/zinc/94/57/20/362945720.db2.gz PKJWUFBFJLYCNU-YPMHNXCESA-N 0 0 233.315 2.463 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCC(F)(F)F ZINC000088833727 191000893 /nfs/dbraw/zinc/00/08/93/191000893.db2.gz FGFFRXNSCWFFTD-YUMQZZPRSA-N 0 0 234.221 2.137 10 30 BEEERN COc1ccc(O)c(CC#N)c1Br ZINC000217114834 350039140 /nfs/dbraw/zinc/03/91/40/350039140.db2.gz RJXNWOQNEMRBIJ-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN C=CCCSc1nnnn1Cc1ccccc1 ZINC000128708870 350067861 /nfs/dbraw/zinc/06/78/61/350067861.db2.gz ALRFKLYETIAAIY-UHFFFAOYSA-N 0 0 246.339 2.390 10 30 BEEERN O=Cc1cncc(C#Cc2ccccc2)c1 ZINC000039169336 350112691 /nfs/dbraw/zinc/11/26/91/350112691.db2.gz QCBAVDLKOJVDNF-UHFFFAOYSA-N 0 0 207.232 2.294 10 30 BEEERN C=CCc1c(O)c2c(c(CC)c1OC)COC2=O ZINC000038954545 350114416 /nfs/dbraw/zinc/11/44/16/350114416.db2.gz UMAXZXMLMWHJFY-UHFFFAOYSA-N 0 0 248.278 2.362 10 30 BEEERN C#CC[C@@H](O[C@@H]1CCCCO1)[C@@H](C)[C@H](O)C=C ZINC000039077050 350114877 /nfs/dbraw/zinc/11/48/77/350114877.db2.gz NZQSSDFMYCVZEN-REWJHTLYSA-N 0 0 238.327 2.105 10 30 BEEERN COC(=O)C(C)(C)CCCC#CCn1ccnc1 ZINC000039320258 350115100 /nfs/dbraw/zinc/11/51/00/350115100.db2.gz GXPIFKIKYPFTJY-UHFFFAOYSA-N 0 0 248.326 2.256 10 30 BEEERN C=C(C)COCCC(OCC)OCC ZINC000219381290 350124806 /nfs/dbraw/zinc/12/48/06/350124806.db2.gz YVUSXVSXFJYVRM-UHFFFAOYSA-N 0 0 202.294 2.368 10 30 BEEERN O=CC[C@@H](O)c1sccc1Br ZINC000159416475 350125503 /nfs/dbraw/zinc/12/55/03/350125503.db2.gz SNLQLUOTVCOCGJ-ZCFIWIBFSA-N 0 0 235.102 2.133 10 30 BEEERN Cc1nc2cc(Cl)ccn2c1CC#N ZINC000074376834 180080338 /nfs/dbraw/zinc/08/03/38/180080338.db2.gz NBBVKJDDJBAEKE-UHFFFAOYSA-N 0 0 205.648 2.362 10 30 BEEERN Cc1nc2cccc(Br)n2c1C#N ZINC000036244411 180100155 /nfs/dbraw/zinc/10/01/55/180100155.db2.gz XUXQJSIHHWUPSZ-UHFFFAOYSA-N 0 0 236.072 2.277 10 30 BEEERN Cc1nc[nH]c1CNc1ccc(C#N)cc1 ZINC000054793850 180121647 /nfs/dbraw/zinc/12/16/47/180121647.db2.gz ZBHPMNMRYLCZLI-UHFFFAOYSA-N 0 0 212.256 2.202 10 30 BEEERN C=C(Cl)CC1(C)C(=O)CCCC1=O ZINC000104836512 191066442 /nfs/dbraw/zinc/06/64/42/191066442.db2.gz OSOBUEIHKNFRFP-UHFFFAOYSA-N 0 0 200.665 2.457 10 30 BEEERN CCCn1nc(-c2ccnn2C)c(C#N)c1Cl ZINC000725257597 538068549 /nfs/dbraw/zinc/06/85/49/538068549.db2.gz SKVQIFUOYQJJHF-UHFFFAOYSA-N 0 0 249.705 2.219 10 30 BEEERN O=CCc1cccc(OCc2ccccc2)c1O ZINC000221263739 350204355 /nfs/dbraw/zinc/20/43/55/350204355.db2.gz KFOJQRSZXYRKKT-CYBMUJFWSA-N 0 0 242.274 2.431 10 30 BEEERN CCn1cc(C#N)c(=O)c2cc(C)ccc21 ZINC000072237005 187442714 /nfs/dbraw/zinc/44/27/14/187442714.db2.gz VYLLHRNIUGSTPT-UHFFFAOYSA-N 0 0 212.252 2.202 10 30 BEEERN C=CCCn1c(=O)onc1-c1ccccc1C ZINC000128803028 350245706 /nfs/dbraw/zinc/24/57/06/350245706.db2.gz YJTSMFPXOIQKOA-UHFFFAOYSA-N 0 0 230.267 2.388 10 30 BEEERN Cc1nn(-c2ccnc(C#N)c2)c(C)c1C ZINC000061815237 180331404 /nfs/dbraw/zinc/33/14/04/180331404.db2.gz ARPSVHSLSIISTJ-UHFFFAOYSA-N 0 0 212.256 2.064 10 30 BEEERN Cc1nn(C)c(NCCc2ccsc2)c1C#N ZINC000104443493 180357815 /nfs/dbraw/zinc/35/78/15/180357815.db2.gz SAGKKRUEOGTHMY-UHFFFAOYSA-N 0 0 246.339 2.316 10 30 BEEERN CCC1CCN(C(=NC#N)SC)CC1 ZINC000251860448 362958676 /nfs/dbraw/zinc/95/86/76/362958676.db2.gz STBWVHOLTPYFPE-UHFFFAOYSA-N 0 0 211.334 2.308 10 30 BEEERN Cc1nn(C[C@@H](C#N)NC(C)C)c(C)c1Cl ZINC000050588013 180390252 /nfs/dbraw/zinc/39/02/52/180390252.db2.gz GXTVAWMZUHUWPB-SNVBAGLBSA-N 0 0 240.738 2.044 10 30 BEEERN CCc1cnc(CN[C@@H]2CCC[C@@H]2C#N)o1 ZINC000231646789 350632572 /nfs/dbraw/zinc/63/25/72/350632572.db2.gz PNETWQAOQDVNRY-MWLCHTKSSA-N 0 0 219.288 2.019 10 30 BEEERN CCc1cnc(CN[C@H]2CCC[C@@H]2C#N)o1 ZINC000231646792 350632580 /nfs/dbraw/zinc/63/25/80/350632580.db2.gz PNETWQAOQDVNRY-KOLCDFICSA-N 0 0 219.288 2.019 10 30 BEEERN CCC[C@H](C#N)C(=O)NC1CCCCC1 ZINC000044808620 187462982 /nfs/dbraw/zinc/46/29/82/187462982.db2.gz ALWOEAXMAXLUDK-SNVBAGLBSA-N 0 0 208.305 2.375 10 30 BEEERN C[C@@H](CC#N)C(=O)Nc1ccccc1F ZINC000049813337 187463438 /nfs/dbraw/zinc/46/34/38/187463438.db2.gz GRRZZRFAYUDGOC-QMMMGPOBSA-N 0 0 206.220 2.314 10 30 BEEERN COC(=O)N1CCC[C@H]1c1cccc(C#N)c1 ZINC000616606159 350796596 /nfs/dbraw/zinc/79/65/96/350796596.db2.gz AAHFTUJHOUJLEZ-LBPRGKRZSA-N 0 0 230.267 2.462 10 30 BEEERN N#Cc1ccc([C@@H]2CCCCN2C(N)=O)cc1 ZINC000616616513 350856071 /nfs/dbraw/zinc/85/60/71/350856071.db2.gz XFBITFTXKZERPU-LBPRGKRZSA-N 0 0 229.283 2.164 10 30 BEEERN C[C@]1(O)CCC[C@]1(C)[C@]1(C=O)CCCS1 ZINC000306731587 350900976 /nfs/dbraw/zinc/90/09/76/350900976.db2.gz QUMCWPGSUSBJFO-SDDRHHMPSA-N 0 0 228.357 2.392 10 30 BEEERN CCn1cc(C2=CCCCC2=O)c(C)n1 ZINC000306734969 350906646 /nfs/dbraw/zinc/90/66/46/350906646.db2.gz VMBLJINVXVHMGI-UHFFFAOYSA-N 0 0 204.273 2.348 10 30 BEEERN COC(=O)c1c(C#N)ccc(C)c1Cl ZINC000306748852 350934508 /nfs/dbraw/zinc/93/45/08/350934508.db2.gz LLJCIGKIPJUNJV-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN Cc1ncc(C[C@@]2(C=O)CCCS2)s1 ZINC000306724991 350893042 /nfs/dbraw/zinc/89/30/42/350893042.db2.gz JTWZQFZMZRCAEA-SNVBAGLBSA-N 0 0 227.354 2.459 10 30 BEEERN Cc1ccncc1[C@@H]1CCC[C@H](C=O)O1 ZINC000306728665 350896947 /nfs/dbraw/zinc/89/69/47/350896947.db2.gz NPKIAKSMQPHRTI-PWSUYJOCSA-N 0 0 205.257 2.199 10 30 BEEERN C[C@H]1CCCC[C@]1(C)NC(=O)CS ZINC000306757714 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CC(C)=NNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000004322314 188101847 /nfs/dbraw/zinc/10/18/47/188101847.db2.gz NTCPGFFPZZGIIP-AEJSXWLSSA-N 0 0 225.361 2.035 10 30 BEEERN C=C1C(=O)O[C@@H]2C[C@@]3(C)C=CC(=O)C(=C)[C@@H]3C[C@H]12 ZINC000004098063 188102278 /nfs/dbraw/zinc/10/22/78/188102278.db2.gz LXMUZMFQJGRVFW-NDPMZMCLSA-N 0 0 244.290 2.196 10 30 biogenic,in-vitro BEEERN CC#CCCNc1ncncc1Br ZINC000125892489 353196221 /nfs/dbraw/zinc/19/62/21/353196221.db2.gz WEVONKXRIVRVKV-UHFFFAOYSA-N 0 0 240.104 2.064 10 30 BEEERN N#Cc1cccc(-c2ncc(F)c(Cl)n2)n1 ZINC000072204231 188115250 /nfs/dbraw/zinc/11/52/50/188115250.db2.gz SWQFVMPRUANDLD-UHFFFAOYSA-N 0 0 234.621 2.203 10 30 BEEERN FC(F)(F)C(F)(F)CCCOC[C@H]1CO1 ZINC000098210590 180877542 /nfs/dbraw/zinc/87/75/42/180877542.db2.gz GFPZCNPMTKHOJZ-LURJTMIESA-N 0 0 234.164 2.380 10 30 BEEERN C=C1C(=O)N(Cc2ccccc2)[C@@H]1CC ZINC000039075352 188117893 /nfs/dbraw/zinc/11/78/93/188117893.db2.gz QRCREAIICUYNCD-GFCCVEGCSA-N 0 0 201.269 2.364 10 30 BEEERN CC(C)N(CCC#N)CCOc1ccc(N)cc1 ZINC000042528565 188120667 /nfs/dbraw/zinc/12/06/67/188120667.db2.gz IMMRVUQISIFSNK-UHFFFAOYSA-N 0 0 247.342 2.272 10 30 BEEERN N#CCCCCN1CCc2ccc(N)cc21 ZINC000049578656 188124143 /nfs/dbraw/zinc/12/41/43/188124143.db2.gz FAKMVNGONGBFTM-UHFFFAOYSA-N 0 0 215.300 2.325 10 30 BEEERN C=C1N(C)c2cc(CO)ccc2C1(C)C ZINC000100036119 188158607 /nfs/dbraw/zinc/15/86/07/188158607.db2.gz AEHQXBMDJNFAGO-UHFFFAOYSA-N 0 0 203.285 2.420 10 30 BEEERN CCCCOc1ccc(O)c(C#N)c1C#N ZINC000169201044 188161775 /nfs/dbraw/zinc/16/17/75/188161775.db2.gz FQRBSQCQTSDWST-UHFFFAOYSA-N 0 0 216.240 2.314 10 30 BEEERN Cc1nn(Cc2ccccc2)c(C)c1C#N ZINC000040538475 188165644 /nfs/dbraw/zinc/16/56/44/188165644.db2.gz CCHGSVKFHPRSHY-UHFFFAOYSA-N 0 0 211.268 2.420 10 30 BEEERN CSc1ccc(OC2CC2)c(C#N)n1 ZINC000095732864 188146899 /nfs/dbraw/zinc/14/68/99/188146899.db2.gz PHJJOOOIDHNBMB-UHFFFAOYSA-N 0 0 206.270 2.216 10 30 BEEERN N#CCCN[C@H]1CCOc2ccccc21 ZINC000020200000 188175435 /nfs/dbraw/zinc/17/54/35/188175435.db2.gz GIYJJAUWFLRRKT-NSHDSACASA-N 0 0 202.257 2.013 10 30 BEEERN C=C[C@@](C)(CC[C@@H]1OC1(C)C)OC(C)=O ZINC000005166744 188177478 /nfs/dbraw/zinc/17/74/78/188177478.db2.gz SVXOLLYBCSDBKK-JQWIXIFHSA-N 0 0 212.289 2.452 10 30 BEEERN C=C(C)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000028887151 188181870 /nfs/dbraw/zinc/18/18/70/188181870.db2.gz VYOVZICZGUSHSR-UHFFFAOYSA-N 0 0 200.241 2.355 10 30 BEEERN COC(=O)C#Cc1c(F)cccc1Cl ZINC000070835042 353261119 /nfs/dbraw/zinc/26/11/19/353261119.db2.gz LOOHAPLSNLGFHU-UHFFFAOYSA-N 0 0 212.607 2.004 10 30 BEEERN C[C@H](CC(=O)N[C@H](C#N)C1CC1)C(C)(C)C ZINC000070976666 353262081 /nfs/dbraw/zinc/26/20/81/353262081.db2.gz HEYCKGHZOOQIEA-MWLCHTKSSA-N 0 0 222.332 2.477 10 30 BEEERN C#Cc1cc(OC)ccc1Br ZINC000231119746 188223482 /nfs/dbraw/zinc/22/34/82/188223482.db2.gz WZRBSPYGAGUOOQ-UHFFFAOYSA-N 0 0 211.058 2.439 10 30 BEEERN C#Cc1ccc(C(=O)OC)cc1Br ZINC000066309130 188224538 /nfs/dbraw/zinc/22/45/38/188224538.db2.gz NPVLVLUVPFYCIR-UHFFFAOYSA-N 0 0 239.068 2.217 10 30 BEEERN O=C(Nc1ccsc1)N[C@@H]1CCCNC1=O ZINC000330013806 538114755 /nfs/dbraw/zinc/11/47/55/538114755.db2.gz MLEAPIKAPIWHSB-MRVPVSSYSA-N 0 0 239.300 2.002 10 30 BEEERN C#C[C@H](NC)c1cc(F)ccc1Br ZINC000130093190 353340149 /nfs/dbraw/zinc/34/01/49/353340149.db2.gz KDIONGLRCJLVFU-JTQLQIEISA-N 0 0 242.091 2.482 10 30 BEEERN C=CCN(CC=C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000132315314 353377997 /nfs/dbraw/zinc/37/79/97/353377997.db2.gz SJEQTLLDKSEMSX-LLVKDONJSA-N 0 0 245.326 2.030 10 30 BEEERN C=C[C@H](COCc1ccccc1)OC(C)=O ZINC000060107400 353424953 /nfs/dbraw/zinc/42/49/53/353424953.db2.gz WISDYGSXRXTPNI-CYBMUJFWSA-N 0 0 220.268 2.321 10 30 BEEERN Cc1cnc(NC(=O)[C@@H]2CCCO[C@@H]2C)o1 ZINC000330113525 538116948 /nfs/dbraw/zinc/11/69/48/538116948.db2.gz DAEIOZJKHRZGLV-RKDXNWHRSA-N 0 0 224.260 2.386 10 30 BEEERN C=C(Cl)CNC(=O)CCc1ccccc1O ZINC000134814362 353517016 /nfs/dbraw/zinc/51/70/16/353517016.db2.gz CZIFFAVCECCCRT-UHFFFAOYSA-N 0 0 239.702 2.194 10 30 BEEERN COc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061889187 353543400 /nfs/dbraw/zinc/54/34/00/353543400.db2.gz GBUZCZRQUZAGHU-DGCLKSJQSA-N 0 0 244.294 2.117 10 30 BEEERN CC[C@H](CC#N)NC(=O)C[C@@H](C)C(C)C ZINC000183909234 353590773 /nfs/dbraw/zinc/59/07/73/353590773.db2.gz ALYMXVIXLCGJKG-GHMZBOCLSA-N 0 0 210.321 2.477 10 30 BEEERN C=CCCCN(C)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000135664219 353568205 /nfs/dbraw/zinc/56/82/05/353568205.db2.gz QFHZUTMUVIPFIC-UHFFFAOYSA-N 0 0 234.299 2.256 10 30 BEEERN COc1cc2ccc(C#N)nc2c(OC)c1 ZINC000062571417 188486030 /nfs/dbraw/zinc/48/60/30/188486030.db2.gz ULAMDGAMKLLFHE-UHFFFAOYSA-N 0 0 214.224 2.124 10 30 BEEERN C[Si](C)(C)C(=O)C#Cc1ccccc1 ZINC000195812111 353817182 /nfs/dbraw/zinc/81/71/82/353817182.db2.gz OHAGJBOUBGYEKA-UHFFFAOYSA-N 0 0 202.329 2.485 10 30 BEEERN N#CC1(NC2CCCC2)CCSCC1 ZINC000041048801 181030371 /nfs/dbraw/zinc/03/03/71/181030371.db2.gz MCQZSQVIQHTNQC-UHFFFAOYSA-N 0 0 210.346 2.308 10 30 BEEERN N#CC(=O)c1ccc(F)c(Br)c1 ZINC000100385690 181026050 /nfs/dbraw/zinc/02/60/50/181026050.db2.gz JIMNSAPFJITDFR-UHFFFAOYSA-N 0 0 228.020 2.294 10 30 BEEERN N#CC1(Nc2ccccc2)CCOCC1 ZINC000037935424 181030192 /nfs/dbraw/zinc/03/01/92/181030192.db2.gz OAWDKPIAUQKRIF-UHFFFAOYSA-N 0 0 202.257 2.171 10 30 BEEERN N#CCC(=O)Cc1ccc(Br)cc1 ZINC000041279677 181033618 /nfs/dbraw/zinc/03/36/18/181033618.db2.gz WAFTXYSKVWUXRB-UHFFFAOYSA-N 0 0 238.084 2.474 10 30 BEEERN N#CCCN(C1CC1)[C@H]1CCCC[C@H]1C#N ZINC000042531178 181037415 /nfs/dbraw/zinc/03/74/15/181037415.db2.gz YBNIEGSKWHLRSO-AAEUAGOBSA-N 0 0 217.316 2.447 10 30 BEEERN N#CCCN(Cc1cn2ccccc2n1)C1CC1 ZINC000042549200 181037669 /nfs/dbraw/zinc/03/76/69/181037669.db2.gz XGCFTUYXTQPFCI-UHFFFAOYSA-N 0 0 240.310 2.212 10 30 BEEERN N#CC[C@H]1NCCc2cc(Cl)ccc21 ZINC000083661216 181047536 /nfs/dbraw/zinc/04/75/36/181047536.db2.gz BQXBMVRPOUAPKI-LLVKDONJSA-N 0 0 206.676 2.440 10 30 BEEERN N#CCNc1cccc(Br)c1 ZINC000020051821 181043277 /nfs/dbraw/zinc/04/32/77/181043277.db2.gz RTFLEEQLYUTYKO-UHFFFAOYSA-N 0 0 211.062 2.385 10 30 BEEERN N#CC[C@@H](N)c1ccccc1Br ZINC000071532017 181044907 /nfs/dbraw/zinc/04/49/07/181044907.db2.gz XNNKUONWNPAMDQ-SECBINFHSA-N 0 0 225.089 2.363 10 30 BEEERN N#CC[C@H](NC[C@@H]1CCCO1)c1ccccc1 ZINC000055015810 181045914 /nfs/dbraw/zinc/04/59/14/181045914.db2.gz MWKNGRJYOADZTQ-KBPBESRZSA-N 0 0 230.311 2.410 10 30 BEEERN N#CCc1c[nH]c2c1c(N)ccc2Cl ZINC000075606880 181047284 /nfs/dbraw/zinc/04/72/84/181047284.db2.gz QYOKCMFYKLKIJZ-UHFFFAOYSA-N 0 0 205.648 2.470 10 30 BEEERN C[C@H](NC(=O)C1CCC(=O)CC1)[C@H]1CCCO1 ZINC000329809791 133988956 /nfs/dbraw/zinc/98/89/56/133988956.db2.gz BGCKPRJSVGPJFW-JOYOIKCWSA-N 0 0 239.315 2.270 10 30 BEEERN N#CCc1cc2c(c(Br)c1)OCC2 ZINC000095929157 181047440 /nfs/dbraw/zinc/04/74/40/181047440.db2.gz OFKIACWNGTVZTL-UHFFFAOYSA-N 0 0 238.084 2.450 10 30 BEEERN N#CCc1nc2ccccc2n1-c1ncccc1N ZINC000104336298 181049524 /nfs/dbraw/zinc/04/95/24/181049524.db2.gz OIQPWEPFFFETAD-UHFFFAOYSA-N 0 0 249.277 2.069 10 30 BEEERN N#CCc1nc(Cc2ccc(Cl)cc2)no1 ZINC000073641192 181050002 /nfs/dbraw/zinc/05/00/02/181050002.db2.gz XRAPVBZQZJDQOD-UHFFFAOYSA-N 0 0 233.658 2.380 10 30 BEEERN N#C[C@@H](Nc1ccccc1)[C@H]1CCOC1 ZINC000037935293 181057218 /nfs/dbraw/zinc/05/72/18/181057218.db2.gz HPQIGAKDKOJGIG-CMPLNLGQSA-N 0 0 202.257 2.027 10 30 BEEERN N#CCc1noc(-c2cccc(Cl)c2)n1 ZINC000071522124 181050689 /nfs/dbraw/zinc/05/06/89/181050689.db2.gz INJMYCBHTGETOB-UHFFFAOYSA-N 0 0 219.631 2.456 10 30 BEEERN N#C[C@@H](CC1CCCCC1)N1CCOCC1 ZINC000082290614 181054076 /nfs/dbraw/zinc/05/40/76/181054076.db2.gz LNIVBCNAXWCTNY-CYBMUJFWSA-N 0 0 222.332 2.181 10 30 BEEERN N#C[C@@H](NC(=O)c1ccco1)c1ccc(F)cc1 ZINC000049831683 181056320 /nfs/dbraw/zinc/05/63/20/181056320.db2.gz MUHIKAOBMVNVPJ-LLVKDONJSA-N 0 0 244.225 2.413 10 30 BEEERN N#C[C@@H](NC[C@H]1CCCO1)c1ccccc1 ZINC000037855321 181056923 /nfs/dbraw/zinc/05/69/23/181056923.db2.gz PIIVHEIULAKQJI-CHWSQXEVSA-N 0 0 216.284 2.020 10 30 BEEERN N#C[C@@H](NCc1ccccc1)c1ccncc1 ZINC000019986362 181056933 /nfs/dbraw/zinc/05/69/33/181056933.db2.gz QAUUCOCADKOWSA-CQSZACIVSA-N 0 0 223.279 2.436 10 30 BEEERN N#C[C@H](CCO)c1c(F)cccc1Cl ZINC000049815483 181063386 /nfs/dbraw/zinc/06/33/86/181063386.db2.gz DHFCRURPVZQSTC-ZETCQYMHSA-N 0 0 213.639 2.469 10 30 BEEERN N#C[C@H](CN1CCCC1)c1cccs1 ZINC000041215242 181063778 /nfs/dbraw/zinc/06/37/78/181063778.db2.gz LIFDXUVTRWBVGU-SNVBAGLBSA-N 0 0 206.314 2.451 10 30 BEEERN N#C[C@H](N)c1ccc(F)c(Br)c1 ZINC000022209602 181064610 /nfs/dbraw/zinc/06/46/10/181064610.db2.gz KSCCJMSARZIIMY-QMMMGPOBSA-N 0 0 229.052 2.112 10 30 BEEERN N#C[C@H](N)CSc1ccc2c(c1)CCC2 ZINC000045365704 181064975 /nfs/dbraw/zinc/06/49/75/181064975.db2.gz NFPHQWYHDPXVKT-NSHDSACASA-N 0 0 218.325 2.118 10 30 BEEERN N#C[C@H](N)COc1ccc(Cl)cc1Cl ZINC000019666066 181065017 /nfs/dbraw/zinc/06/50/17/181065017.db2.gz GKWNCLSFINWHNH-ZETCQYMHSA-N 0 0 231.082 2.223 10 30 BEEERN N#C[C@H](N)CCOc1ccc2ccccc2c1 ZINC000019666747 181065058 /nfs/dbraw/zinc/06/50/58/181065058.db2.gz PNMORGWVMGBMLT-CYBMUJFWSA-N 0 0 226.279 2.460 10 30 BEEERN N#C[C@H](NC1CCCC1)c1ccc(O)cc1 ZINC000037968489 181065778 /nfs/dbraw/zinc/06/57/78/181065778.db2.gz FKXZIOYWBAHPNZ-ZDUSSCGKSA-N 0 0 216.284 2.489 10 30 BEEERN N#C[C@H](c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000019934669 181066944 /nfs/dbraw/zinc/06/69/44/181066944.db2.gz NYKFYAGMDWBGIW-GFCCVEGCSA-N 0 0 244.294 2.118 10 30 BEEERN N#C[C@H](NCC(F)(F)F)[C@@H]1CC=CCC1 ZINC000037971118 181066298 /nfs/dbraw/zinc/06/62/98/181066298.db2.gz KMLOPAKZSMOKLW-BDAKNGLRSA-N 0 0 218.222 2.387 10 30 BEEERN N#C[C@H](Nc1ccccc1F)[C@H]1CCOC1 ZINC000037938889 181066730 /nfs/dbraw/zinc/06/67/30/181066730.db2.gz YTLJAEMAYYBCRE-CABZTGNLSA-N 0 0 220.247 2.166 10 30 BEEERN N#C[C@@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000049786134 181057889 /nfs/dbraw/zinc/05/78/89/181057889.db2.gz PBEUPNPDTAMXSG-LBPRGKRZSA-N 0 0 244.294 2.466 10 30 BEEERN N#C[C@@H]1CCCCC[C@@H]1Sc1nc[nH]n1 ZINC000037154426 181058678 /nfs/dbraw/zinc/05/86/78/181058678.db2.gz ZCDPMOSOQPABFT-IUCAKERBSA-N 0 0 222.317 2.369 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Cc1cccs1 ZINC000061888622 181059892 /nfs/dbraw/zinc/05/98/92/181059892.db2.gz ZUOJWTJBCJDFPF-ONGXEEELSA-N 0 0 234.324 2.099 10 30 BEEERN N#C[C@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000049786133 181066819 /nfs/dbraw/zinc/06/68/19/181066819.db2.gz PBEUPNPDTAMXSG-GFCCVEGCSA-N 0 0 244.294 2.466 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000061892536 181060860 /nfs/dbraw/zinc/06/08/60/181060860.db2.gz PZBOAHROCBIZQW-UONOGXRCSA-N 0 0 242.322 2.403 10 30 BEEERN N#C[C@H](C(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000050963787 181062690 /nfs/dbraw/zinc/06/26/90/181062690.db2.gz UZOKIGHKBLLSTN-QWHCGFSZSA-N 0 0 229.279 2.432 10 30 BEEERN N#C[C@]1(NCc2ccccc2)CCSC1 ZINC000037939352 181072081 /nfs/dbraw/zinc/07/20/81/181072081.db2.gz DXHMIXSLGBNMGI-GFCCVEGCSA-N 0 0 218.325 2.175 10 30 BEEERN N#Cc1c(F)ccc(N)c1C(F)(F)F ZINC000075926380 181074455 /nfs/dbraw/zinc/07/44/55/181074455.db2.gz NMJXOHRQASNDLE-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN N#Cc1c(F)cccc1NC(=O)C1CC1 ZINC000036139166 181074846 /nfs/dbraw/zinc/07/48/46/181074846.db2.gz SYQYORAIYQBYKB-UHFFFAOYSA-N 0 0 204.204 2.046 10 30 BEEERN N#C[C@H]1CCCCC[C@@H]1Sc1nc[nH]n1 ZINC000037154422 181067244 /nfs/dbraw/zinc/06/72/44/181067244.db2.gz ZCDPMOSOQPABFT-BDAKNGLRSA-N 0 0 222.317 2.369 10 30 BEEERN N#C[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000011894039 181067557 /nfs/dbraw/zinc/06/75/57/181067557.db2.gz ZWJHBATUCWDWOQ-LLVKDONJSA-N 0 0 248.713 2.255 10 30 BEEERN N#CC1(CN2CCOC3(CCCC3)C2)CCC1 ZINC000334576162 354107992 /nfs/dbraw/zinc/10/79/92/354107992.db2.gz IOYVSNQDSVQJOR-UHFFFAOYSA-N 0 0 234.343 2.325 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1ccsc1 ZINC000061888760 181068690 /nfs/dbraw/zinc/06/86/90/181068690.db2.gz YHSSCMCHWCQIGD-MNOVXSKESA-N 0 0 234.324 2.099 10 30 BEEERN N#Cc1cc(-n2ccc(C(F)(F)F)n2)ccn1 ZINC000061815241 181081415 /nfs/dbraw/zinc/08/14/15/181081415.db2.gz XQKIRVCYIORLPX-UHFFFAOYSA-N 0 0 238.172 2.158 10 30 BEEERN N#Cc1c(F)cccc1NC[C@H]1CCC[C@H]1O ZINC000097093837 181075744 /nfs/dbraw/zinc/07/57/44/181075744.db2.gz WPMIBHBWKINDPS-NOZJJQNGSA-N 0 0 234.274 2.270 10 30 BEEERN N#Cc1cc(F)c(N[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000277167992 181086963 /nfs/dbraw/zinc/08/69/63/181086963.db2.gz UAFBUALJFJDVGS-MNOVXSKESA-N 0 0 238.237 2.162 10 30 BEEERN N#Cc1ccc(-c2ccc(C#N)c(N)n2)cc1 ZINC000050871195 181094822 /nfs/dbraw/zinc/09/48/22/181094822.db2.gz QMQZQJDNZBQGLI-UHFFFAOYSA-N 0 0 220.235 2.074 10 30 BEEERN N#Cc1ccc(-c2cnc(N)s2)s1 ZINC000050266911 181095856 /nfs/dbraw/zinc/09/58/56/181095856.db2.gz LPZZTBLJYQPVPG-UHFFFAOYSA-N 0 0 207.283 2.325 10 30 BEEERN N#Cc1cc(N)ccc1NCCc1nccs1 ZINC000063133098 181088931 /nfs/dbraw/zinc/08/89/31/181088931.db2.gz ZYKOZMIJUYSMPF-UHFFFAOYSA-N 0 0 244.323 2.252 10 30 BEEERN N#Cc1cc(N)ccc1NC[C@H]1CCCCO1 ZINC000042814436 181088936 /nfs/dbraw/zinc/08/89/36/181088936.db2.gz CPARELINHLBNOX-GFCCVEGCSA-N 0 0 231.299 2.121 10 30 BEEERN N#Cc1cc(N(CC(F)(F)F)C2CC2)ccn1 ZINC000061815153 181089138 /nfs/dbraw/zinc/08/91/38/181089138.db2.gz OQSCZIFALDLVHE-UHFFFAOYSA-N 0 0 241.216 2.484 10 30 BEEERN N#Cc1cc(N)cnc1NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104251211 181089662 /nfs/dbraw/zinc/08/96/62/181089662.db2.gz QZIBAUNKXJQJOC-UMNHJUIQSA-N 0 0 242.326 2.384 10 30 BEEERN N#Cc1cc(N)cnc1Sc1nccs1 ZINC000040676422 181089949 /nfs/dbraw/zinc/08/99/49/181089949.db2.gz CRIKSIVOXHDDLL-UHFFFAOYSA-N 0 0 234.309 2.143 10 30 BEEERN N#Cc1cc(NCC(F)F)ccc1[N+](=O)[O-] ZINC000123124880 181090988 /nfs/dbraw/zinc/09/09/88/181090988.db2.gz DRCHMOLBIQLIDM-UHFFFAOYSA-N 0 0 227.170 2.143 10 30 BEEERN N#Cc1cc(N[C@@H]2CCOC2)nc2ccccc12 ZINC000127103212 181091757 /nfs/dbraw/zinc/09/17/57/181091757.db2.gz BVAVYJKNVBRVED-LLVKDONJSA-N 0 0 239.278 2.307 10 30 BEEERN N#Cc1cc(NCc2ncc[nH]2)ccc1F ZINC000051636236 181091916 /nfs/dbraw/zinc/09/19/16/181091916.db2.gz XPQFFGHJUWBXCW-UHFFFAOYSA-N 0 0 216.219 2.033 10 30 BEEERN N#Cc1ccc(COC[C@H]2CCCO2)c(F)c1 ZINC000019427492 181111116 /nfs/dbraw/zinc/11/11/16/181111116.db2.gz RQMZWWGHHCNUON-GFCCVEGCSA-N 0 0 235.258 2.393 10 30 BEEERN N#Cc1ccc(F)c(COC[C@H]2CCCO2)c1 ZINC000019442154 181112694 /nfs/dbraw/zinc/11/26/94/181112694.db2.gz BAJBMEMGNMHJQH-GFCCVEGCSA-N 0 0 235.258 2.393 10 30 BEEERN N#Cc1ccc(N2C[C@H]3CCCC[C@H]32)cn1 ZINC000370675788 181117090 /nfs/dbraw/zinc/11/70/90/181117090.db2.gz HAOVUPZRNHQQOV-ZWNOBZJWSA-N 0 0 213.284 2.332 10 30 BEEERN N#Cc1ccc(NC[C@H]2CCC[C@H]2O)c(F)c1 ZINC000089167754 181123650 /nfs/dbraw/zinc/12/36/50/181123650.db2.gz PDSBBSNOMMUOMJ-ZWNOBZJWSA-N 0 0 234.274 2.270 10 30 BEEERN N#Cc1ccc(NCc2ccccn2)c(N)c1 ZINC000035674406 181123953 /nfs/dbraw/zinc/12/39/53/181123953.db2.gz ZJVQTJWDBVIFEI-UHFFFAOYSA-N 0 0 224.267 2.148 10 30 BEEERN N#Cc1ccc(N[C@@H]2COc3ccccc32)nc1 ZINC000058545044 181125094 /nfs/dbraw/zinc/12/50/94/181125094.db2.gz AGUJLZNNHMPBEP-GFCCVEGCSA-N 0 0 237.262 2.499 10 30 BEEERN N#Cc1ccc(OCC(F)(F)C(F)F)c(N)c1 ZINC000035675058 181127366 /nfs/dbraw/zinc/12/73/66/181127366.db2.gz XMGIZFNNAYUYLC-UHFFFAOYSA-N 0 0 248.179 2.420 10 30 BEEERN N#Cc1ccc(OCCCCCO)c(F)c1 ZINC000225303277 181127877 /nfs/dbraw/zinc/12/78/77/181127877.db2.gz JUWNNTAQLYYSEM-UHFFFAOYSA-N 0 0 223.247 2.239 10 30 BEEERN C[C@@H]1CSC[C@@]1(O)c1cccc(C#N)c1 ZINC000521401854 259455439 /nfs/dbraw/zinc/45/54/39/259455439.db2.gz RKFMWIDPXFEFDD-SKDRFNHKSA-N 0 0 219.309 2.129 10 30 BEEERN N#Cc1ccc(OCc2ccco2)c(N)c1 ZINC000035674797 181128468 /nfs/dbraw/zinc/12/84/68/181128468.db2.gz UISZUYNQEXXIIF-UHFFFAOYSA-N 0 0 214.224 2.312 10 30 BEEERN N#Cc1cccc(-c2cnc(Cl)cn2)n1 ZINC000072204208 181133836 /nfs/dbraw/zinc/13/38/36/181133836.db2.gz KEAAXHDEQRSVGJ-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#Cc1cccc(Oc2cc(N)ccn2)c1 ZINC000043569502 181143248 /nfs/dbraw/zinc/14/32/48/181143248.db2.gz HOCXAJVHUCVQMT-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1cccc(Oc2ncccc2N)c1 ZINC000019394495 181143667 /nfs/dbraw/zinc/14/36/67/181143667.db2.gz DKHPCHIRCYXXOQ-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1ccccc1CNCc1ccncc1 ZINC000019997262 181144822 /nfs/dbraw/zinc/14/48/22/181144822.db2.gz KJGJLYYNSDZDAR-UHFFFAOYSA-N 0 0 223.279 2.243 10 30 BEEERN N#Cc1ccccc1NCC(=O)NC1CCCC1 ZINC000020051391 181148078 /nfs/dbraw/zinc/14/80/78/181148078.db2.gz RCOYSPGVKATCNJ-UHFFFAOYSA-N 0 0 243.310 2.029 10 30 BEEERN N#Cc1ccccc1Oc1ccncc1N ZINC000020370694 181150195 /nfs/dbraw/zinc/15/01/95/181150195.db2.gz ACKMTLKAJGTDKX-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1cccnc1OCc1ccco1 ZINC000019427666 181153682 /nfs/dbraw/zinc/15/36/82/181153682.db2.gz MGWSNOXUEPSXTE-UHFFFAOYSA-N 0 0 200.197 2.125 10 30 BEEERN N#Cc1ccnc(N2CCC[C@@H]2C2CCC2)n1 ZINC000296960448 181155019 /nfs/dbraw/zinc/15/50/19/181155019.db2.gz CPGZQRAQJWSDIX-GFCCVEGCSA-N 0 0 228.299 2.117 10 30 BEEERN C=CCNCC(=O)c1ccccc1OCC ZINC000041613808 166398265 /nfs/dbraw/zinc/39/82/65/166398265.db2.gz DAVKOQRBGRVTJQ-UHFFFAOYSA-N 0 0 219.284 2.044 10 30 BEEERN N#Cc1csc(-c2ccc(N)cc2)n1 ZINC000082531465 181165716 /nfs/dbraw/zinc/16/57/16/181165716.db2.gz GVIGLVPAIHSAIY-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N#Cc1nc(N2CCCCCC2)ccc1[N+](=O)[O-] ZINC000302686320 181167908 /nfs/dbraw/zinc/16/79/08/181167908.db2.gz BCIDBTNRRTXOSW-UHFFFAOYSA-N 0 0 246.270 2.242 10 30 BEEERN N#Cc1nccn1Cc1csc(C2CC2)n1 ZINC000120821774 181172686 /nfs/dbraw/zinc/17/26/86/181172686.db2.gz SHZTURGHOLWLKQ-UHFFFAOYSA-N 0 0 230.296 2.137 10 30 BEEERN N#Cc1nccnc1N1CCC12CCCCC2 ZINC000365472785 181173002 /nfs/dbraw/zinc/17/30/02/181173002.db2.gz OKGLINDYQMZZBV-UHFFFAOYSA-N 0 0 228.299 2.261 10 30 BEEERN N#Cc1nccn1Cc1c(F)cccc1F ZINC000129860546 181173324 /nfs/dbraw/zinc/17/33/24/181173324.db2.gz JJZWSBAVIJPUEB-UHFFFAOYSA-N 0 0 219.194 2.081 10 30 BEEERN N#Cc1nccnc1Oc1cc(F)c(N)cc1F ZINC000104132585 181175505 /nfs/dbraw/zinc/17/55/05/181175505.db2.gz MOXWDCGAPDQPMB-UHFFFAOYSA-N 0 0 248.192 2.001 10 30 BEEERN N#Cc1nnsc1Nc1ccccc1 ZINC000034211575 181177318 /nfs/dbraw/zinc/17/73/18/181177318.db2.gz AXQUGNAQIVFKNJ-UHFFFAOYSA-N 0 0 202.242 2.153 10 30 BEEERN N/C(=N\O)c1ccccc1COc1ccccc1 ZINC000019433431 181181238 /nfs/dbraw/zinc/18/12/38/181181238.db2.gz UVKYEBRYUPVEJI-UHFFFAOYSA-N 0 0 242.278 2.360 10 30 BEEERN N/C(=N/O)c1ccnc(OCC2CCCCC2)c1 ZINC000052154572 181180218 /nfs/dbraw/zinc/18/02/18/181180218.db2.gz GTVIQUDEYWKJPZ-UHFFFAOYSA-N 0 0 249.314 2.135 10 30 BEEERN N/C(=N\O)c1ccccc1COC1CCCC1 ZINC000019513222 181180935 /nfs/dbraw/zinc/18/09/35/181180935.db2.gz GKSWAEZNUQWXEJ-UHFFFAOYSA-N 0 0 234.299 2.240 10 30 BEEERN C#C[C@@H](C)Nc1nc(Br)cs1 ZINC000166891384 355864101 /nfs/dbraw/zinc/86/41/01/355864101.db2.gz PJZZJVKNSXQMQG-RXMQYKEDSA-N 0 0 231.118 2.339 10 30 BEEERN CCOc1ccc(N)c(C#N)c1Br ZINC000226394092 355866013 /nfs/dbraw/zinc/86/60/13/355866013.db2.gz ONXNRTZGGCMJSJ-UHFFFAOYSA-N 0 0 241.088 2.302 10 30 BEEERN C#C[C@H](O)c1ccc(C)cc1Br ZINC000129686082 355871317 /nfs/dbraw/zinc/87/13/17/355871317.db2.gz USEDESKOEOMBFL-JTQLQIEISA-N 0 0 225.085 2.424 10 30 BEEERN CC1(C)CCCN1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000336033231 134059040 /nfs/dbraw/zinc/05/90/40/134059040.db2.gz WBXRPHFXSALVKI-MNOVXSKESA-N 0 0 235.331 2.263 10 30 BEEERN COc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)cn1 ZINC000329471175 355924090 /nfs/dbraw/zinc/92/40/90/355924090.db2.gz YTUNJDAELCMEII-ONGXEEELSA-N 0 0 247.298 2.120 10 30 BEEERN COc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)cn1 ZINC000329471173 355924625 /nfs/dbraw/zinc/92/46/25/355924625.db2.gz YTUNJDAELCMEII-KOLCDFICSA-N 0 0 247.298 2.120 10 30 BEEERN Cc1noc(C)c1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000329931639 356146014 /nfs/dbraw/zinc/14/60/14/356146014.db2.gz PCFOGSSZWDNOJK-VHSXEESVSA-N 0 0 235.287 2.321 10 30 BEEERN Cc1cc(N[C@H]2C[C@H]2C)c(C#N)c(C)n1 ZINC000087975100 356382945 /nfs/dbraw/zinc/38/29/45/356382945.db2.gz QCZRFLILNFFKLY-HQJQHLMTSA-N 0 0 201.273 2.390 10 30 BEEERN C[C@H]1C[C@H](C(=O)N(C)CC#N)CC(C)(C)C1 ZINC000336162956 134111824 /nfs/dbraw/zinc/11/18/24/134111824.db2.gz NVOMEOIZLUBZAC-QWRGUYRKSA-N 0 0 222.332 2.431 10 30 BEEERN C=C(Br)CNc1[nH+]cc(N)cc1C ZINC000168188545 356544110 /nfs/dbraw/zinc/54/41/10/356544110.db2.gz GBOSCROJDZFNFX-UHFFFAOYSA-N 0 0 242.120 2.293 10 30 BEEERN N#CC#Cc1sccc1Br ZINC000161223918 363498825 /nfs/dbraw/zinc/49/88/25/363498825.db2.gz RPWLOQDCROBRKG-UHFFFAOYSA-N 0 0 212.071 2.386 10 30 BEEERN C=C[C@@H](CC#N)NC(=O)OCc1ccccc1 ZINC000675058653 538482627 /nfs/dbraw/zinc/48/26/27/538482627.db2.gz QZUJVJWRHCXFOK-LBPRGKRZSA-N 0 0 230.267 2.381 10 30 BEEERN N#Cc1cccc(-c2cnn3cccnc23)c1 ZINC000675073070 538505384 /nfs/dbraw/zinc/50/53/84/538505384.db2.gz QNAJBQGVVWGBHR-UHFFFAOYSA-N 0 0 220.235 2.268 10 30 BEEERN N#Cc1ccc(-c2cnn3cccnc23)s1 ZINC000675074126 538507072 /nfs/dbraw/zinc/50/70/72/538507072.db2.gz YAQDNTQERMPIDW-UHFFFAOYSA-N 0 0 226.264 2.329 10 30 BEEERN COc1ccc(O)cc1C#CC(=O)OC(C)(C)C ZINC000675078284 538516362 /nfs/dbraw/zinc/51/63/62/538516362.db2.gz DRNPLHWPOULBAI-UHFFFAOYSA-N 0 0 248.278 2.094 10 30 BEEERN C#Cc1ccccc1NC(=O)C1CCOCC1 ZINC000675078934 538517466 /nfs/dbraw/zinc/51/74/66/538517466.db2.gz NTXDLCZHMTZNEP-UHFFFAOYSA-N 0 0 229.279 2.033 10 30 BEEERN Nc1ccc(C#CC(F)(F)F)cc1F ZINC000675078868 538517480 /nfs/dbraw/zinc/51/74/80/538517480.db2.gz MFXLIPMDVXETNK-UHFFFAOYSA-N 0 0 203.138 2.322 10 30 BEEERN Nc1c(F)cc(C#CC(F)(F)F)cc1F ZINC000675079952 538519394 /nfs/dbraw/zinc/51/93/94/538519394.db2.gz ZBUDYGNVCVUWGD-UHFFFAOYSA-N 0 0 221.128 2.461 10 30 BEEERN CCCCCC[C@]1(C)O[C@@H]1C(=O)OC ZINC000084324247 538531007 /nfs/dbraw/zinc/53/10/07/538531007.db2.gz ANRPIHXMTGIZNX-KOLCDFICSA-N 0 0 200.278 2.287 10 30 BEEERN CCCC[C@@]1(CC)O[C@H]1C(=O)OCC ZINC000084324843 538532698 /nfs/dbraw/zinc/53/26/98/538532698.db2.gz USLDFLOUSTUMTB-GXSJLCMTSA-N 0 0 200.278 2.287 10 30 BEEERN CCOC(=O)[C@@H]1O[C@]12CCCC[C@@H]2CC ZINC000084324806 538532962 /nfs/dbraw/zinc/53/29/62/538532962.db2.gz BXRADPDXYDLRHB-NHCYSSNCSA-N 0 0 212.289 2.287 10 30 BEEERN CCCC[C@@]1(CC)O[C@]1(C)C(=O)OC ZINC000085658136 538543934 /nfs/dbraw/zinc/54/39/34/538543934.db2.gz WJSQEBBVJMXUFW-GHMZBOCLSA-N 0 0 200.278 2.287 10 30 BEEERN COC(=O)[C@H]1O[C@]1(C)c1ccc(F)cc1Cl ZINC000085657644 538545071 /nfs/dbraw/zinc/54/50/71/538545071.db2.gz MICFZQLAJXVRAA-MWLCHTKSSA-N 0 0 244.649 2.266 10 30 BEEERN CCC[C@@]1(C)O[C@]1(C(=O)OC)C(C)C ZINC000086182697 538551194 /nfs/dbraw/zinc/55/11/94/538551194.db2.gz MYXGWZSCTJUOGE-MNOVXSKESA-N 0 0 200.278 2.143 10 30 BEEERN CCC[C@@]1(C2CCCC2)O[C@@H]1C(=O)OC ZINC000313416529 538578757 /nfs/dbraw/zinc/57/87/57/538578757.db2.gz LUXAKWWBOTXMII-PWSUYJOCSA-N 0 0 212.289 2.287 10 30 BEEERN C/C=C/C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000226101193 538610854 /nfs/dbraw/zinc/61/08/54/538610854.db2.gz XBNXCWNCDRYKLA-BRAIEQGRSA-N 0 0 239.315 2.389 10 30 BEEERN CC[C@H](C)[C@]1(C)O[C@]1(C(=O)OC)C(C)C ZINC000227251567 538616369 /nfs/dbraw/zinc/61/63/69/538616369.db2.gz LWDLMQLNCWMTLN-DLOVCJGASA-N 0 0 214.305 2.389 10 30 BEEERN Cc1cc(F)ccc1C(=O)N[C@@H](C#N)C1CC1 ZINC000130449579 325052900 /nfs/dbraw/zinc/05/29/00/325052900.db2.gz HYHMRPAFYJBGKG-LBPRGKRZSA-N 0 0 232.258 2.166 10 30 BEEERN C#CC(C)(C)Oc1cc(Br)ncn1 ZINC000160484535 357000260 /nfs/dbraw/zinc/00/02/60/357000260.db2.gz JZAVRPHOBWMCMR-UHFFFAOYSA-N 0 0 241.088 2.030 10 30 BEEERN C#CC(=O)c1ccc(F)cc1Br ZINC000168753386 357220844 /nfs/dbraw/zinc/22/08/44/357220844.db2.gz BFKQGKLIZSTZMX-UHFFFAOYSA-N 0 0 227.032 2.404 10 30 BEEERN CCOC(=O)Cc1ccc(C)c(C#N)c1C ZINC000223985004 357175201 /nfs/dbraw/zinc/17/52/01/357175201.db2.gz TYTYHCMFIDMZAG-UHFFFAOYSA-N 0 0 217.268 2.281 10 30 BEEERN N#Cc1ncccc1-n1ccc(C(F)(F)F)n1 ZINC000130093537 357279368 /nfs/dbraw/zinc/27/93/68/357279368.db2.gz WGWSEFHEGMQNKF-UHFFFAOYSA-N 0 0 238.172 2.158 10 30 BEEERN N#Cc1cc(F)ccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000610273788 357406472 /nfs/dbraw/zinc/40/64/72/357406472.db2.gz JDFITUDRDPTEPM-VXGBXAGGSA-N 0 0 234.274 2.413 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@H]1CCCO[C@@H]1C ZINC000188504896 357557187 /nfs/dbraw/zinc/55/71/87/357557187.db2.gz MHEKQOMBDKKFAP-NEPJUHHUSA-N 0 0 225.332 2.226 10 30 BEEERN C=C(C)CNC(=O)c1ccc(C)nc1C ZINC000123016293 134242117 /nfs/dbraw/zinc/24/21/17/134242117.db2.gz AEGLCDBMJOGZAG-UHFFFAOYSA-N 0 0 204.273 2.004 10 30 BEEERN COc1cccc([C@H](C)N(C)CC#N)c1 ZINC000123016693 134242228 /nfs/dbraw/zinc/24/22/28/134242228.db2.gz RQNIESKLYNUJLO-JTQLQIEISA-N 0 0 204.273 2.212 10 30 BEEERN C=C(C)CNC(=O)[C@H](C)Oc1ccc(OC)cc1 ZINC000123087898 134242545 /nfs/dbraw/zinc/24/25/45/134242545.db2.gz UFCBIGQDPZTSSW-NSHDSACASA-N 0 0 249.310 2.155 10 30 BEEERN C=C1C[C@@](C)(C(=O)OCC)[C@](O)(CC)C1 ZINC000584658817 358120932 /nfs/dbraw/zinc/12/09/32/358120932.db2.gz AJJZIRIYDRUXQW-RYUDHWBXSA-N 0 0 212.289 2.047 10 30 BEEERN N#Cc1cc(-c2nc([C@@H]3CC34CC4)no2)ccn1 ZINC000351272725 358169622 /nfs/dbraw/zinc/16/96/22/358169622.db2.gz CRBKLJXQJKJRST-JTQLQIEISA-N 0 0 238.250 2.271 10 30 BEEERN C=CS(=O)(=O)c1cccc(Cl)c1C#N ZINC000052905583 358245753 /nfs/dbraw/zinc/24/57/53/358245753.db2.gz XOHOAZJXWACIKO-UHFFFAOYSA-N 0 0 227.672 2.129 10 30 BEEERN N#Cc1cc2ccccc2n1-c1ncc(F)cn1 ZINC000584613353 358277489 /nfs/dbraw/zinc/27/74/89/358277489.db2.gz DWECTUKRAQUEGF-UHFFFAOYSA-N 0 0 238.225 2.431 10 30 BEEERN C[Si](C)(C)C#Cc1cc(O)cc(O)c1 ZINC000584614899 358279574 /nfs/dbraw/zinc/27/95/74/358279574.db2.gz NNCUCJBPUJYUNQ-UHFFFAOYSA-N 0 0 206.317 2.327 10 30 BEEERN C#CCCCCCC[C@H]1OC[C@H](OC)CO1 ZINC000584615223 358279939 /nfs/dbraw/zinc/27/99/39/358279939.db2.gz SZKYKINGCPUMJC-JOCQHMNTSA-N 0 0 226.316 2.348 10 30 BEEERN C#C[C@@](O)(c1cccc(F)c1)C1(C#N)CCC1 ZINC000584600315 358257087 /nfs/dbraw/zinc/25/70/87/358257087.db2.gz IBFAAXOCMRYUSI-CQSZACIVSA-N 0 0 229.254 2.340 10 30 BEEERN CC[C@H](COc1ccccc1)N=C(C)NC#N ZINC000584601889 358259360 /nfs/dbraw/zinc/25/93/60/358259360.db2.gz QVMGBRDDZBSJBJ-GFCCVEGCSA-N 0 0 231.299 2.333 10 30 BEEERN C#C[C@](O)(c1ccccc1)[C@]1(C#N)C[C@@H]1C ZINC000584603470 358261822 /nfs/dbraw/zinc/26/18/22/358261822.db2.gz YBSBWQOHQHITTE-UBHSHLNASA-N 0 0 211.264 2.057 10 30 BEEERN C#C[C@](O)(c1cccc(Cl)c1)C1(C#N)CC1 ZINC000584603373 358261914 /nfs/dbraw/zinc/26/19/14/358261914.db2.gz RJDIQWUFNQOXMY-ZDUSSCGKSA-N 0 0 231.682 2.465 10 30 BEEERN C#C[C@@](O)(c1cccc(Cl)c1)C1(C#N)CC1 ZINC000584603372 358261918 /nfs/dbraw/zinc/26/19/18/358261918.db2.gz RJDIQWUFNQOXMY-CYBMUJFWSA-N 0 0 231.682 2.465 10 30 BEEERN CC(C)(CCc1ccccc1)N=CNC#N ZINC000584605509 358264340 /nfs/dbraw/zinc/26/43/40/358264340.db2.gz VATSFYWGDXOVDN-UHFFFAOYSA-N 0 0 215.300 2.497 10 30 BEEERN Cc1cccc(OC[C@@H](C)NC=NC#N)c1C ZINC000584605530 358264344 /nfs/dbraw/zinc/26/43/44/358264344.db2.gz XHVOODQIHYJOBU-LLVKDONJSA-N 0 0 231.299 2.170 10 30 BEEERN C#CC1(O/C=C/C(=O)OC)CCCCC1 ZINC000584606895 358266467 /nfs/dbraw/zinc/26/64/67/358266467.db2.gz NCPAOLRWNLBIOG-JXMROGBWSA-N 0 0 208.257 2.026 10 30 BEEERN Cc1ccccc1C#CN=S(C)(C)=O ZINC000584607094 358267295 /nfs/dbraw/zinc/26/72/95/358267295.db2.gz BKOQLVOJLPEJAO-UHFFFAOYSA-N 0 0 207.298 2.032 10 30 BEEERN BrC#CCOCC#Cc1ccccc1 ZINC000584608757 358269324 /nfs/dbraw/zinc/26/93/24/358269324.db2.gz ANWFSHKLRFTEOA-UHFFFAOYSA-N 0 0 249.107 2.411 10 30 BEEERN O=C(C=CNc1ncccn1)c1cccs1 ZINC000584609817 358271992 /nfs/dbraw/zinc/27/19/92/358271992.db2.gz ZHFUORWRQAAQFF-QPJJXVBHSA-N 0 0 231.280 2.347 10 30 BEEERN CSC(=O)C(=O)/C=C/c1cccs1 ZINC000584610409 358273283 /nfs/dbraw/zinc/27/32/83/358273283.db2.gz YNEBJPXXSDIOJF-SNAWJCMRSA-N 0 0 212.295 2.220 10 30 BEEERN C=C[C@@]1(c2cccc(OC)c2)COCO1 ZINC000584610554 358273791 /nfs/dbraw/zinc/27/37/91/358273791.db2.gz HZXPDCJDUMTAOS-LBPRGKRZSA-N 0 0 206.241 2.081 10 30 BEEERN C=CC[C@H]1OC(=O)c2cc([N+](=O)[O-])ccc21 ZINC000584610579 358273817 /nfs/dbraw/zinc/27/38/17/358273817.db2.gz KZSXHUTZCXGGGU-SNVBAGLBSA-N 0 0 219.196 2.382 10 30 BEEERN C=CC[C@H]1OC(=O)c2cc(OC)ccc21 ZINC000584610634 358273832 /nfs/dbraw/zinc/27/38/32/358273832.db2.gz WRUCGJAFRMDLJJ-LLVKDONJSA-N 0 0 204.225 2.483 10 30 BEEERN C#CCCC[S@@](=O)c1ccc([N+](=O)[O-])cc1 ZINC000584620544 358287315 /nfs/dbraw/zinc/28/73/15/358287315.db2.gz UOGQXARWKUPLDW-MRXNPFEDSA-N 0 0 237.280 2.116 10 30 BEEERN C=CCC[C@H](O)CC#CCO[C@H]1CCCCO1 ZINC000584620477 358287437 /nfs/dbraw/zinc/28/74/37/358287437.db2.gz QQPYEEISKKVGNB-UONOGXRCSA-N 0 0 238.327 2.250 10 30 BEEERN CC(C)(C)n1nc(CC=O)cc1C(F)(F)F ZINC000584623943 358291936 /nfs/dbraw/zinc/29/19/36/358291936.db2.gz CQZZLMSODSASOO-UHFFFAOYSA-N 0 0 234.221 2.398 10 30 BEEERN C=CCC(=O)OCc1ccccc1OC ZINC000584626629 358295810 /nfs/dbraw/zinc/29/58/10/358295810.db2.gz XZBLXTZCURNWOO-UHFFFAOYSA-N 0 0 206.241 2.315 10 30 BEEERN C=C(OC(C)=O)C(=O)c1ccc(F)cc1 ZINC000584630018 358298967 /nfs/dbraw/zinc/29/89/67/358298967.db2.gz XPFKNWQBYIVYED-UHFFFAOYSA-N 0 0 208.188 2.085 10 30 BEEERN O=C1OCCN1C#CCC1CCCCC1 ZINC000584629873 358299030 /nfs/dbraw/zinc/29/90/30/358299030.db2.gz IIEJEFKQUKPEGC-UHFFFAOYSA-N 0 0 207.273 2.370 10 30 BEEERN C=C(c1ccc(Cl)cc1)C1(O)COC1 ZINC000584630077 358299574 /nfs/dbraw/zinc/29/95/74/358299574.db2.gz HIJDLLMVNMERIH-UHFFFAOYSA-N 0 0 210.660 2.115 10 30 BEEERN O/N=C/c1nccn1-c1cccc(Cl)c1 ZINC000584656868 358308448 /nfs/dbraw/zinc/30/84/48/358308448.db2.gz NTFAKXCVWVQDCJ-NTUHNPAUSA-N 0 0 221.647 2.334 10 30 BEEERN CC1=C[C@]2(C)N=NN3CCC[C@@](C)(C1=O)[C@H]32 ZINC000584659912 358312002 /nfs/dbraw/zinc/31/20/02/358312002.db2.gz ZMUQRYGLFZPZCX-SRVKXCTJSA-N 0 0 219.288 2.126 10 30 BEEERN C=C[C@@H](CO)CC(=O)N[C@@H](C)c1ccccc1 ZINC000584661969 358312602 /nfs/dbraw/zinc/31/26/02/358312602.db2.gz KWEQTIBHKVJOGU-NWDGAFQWSA-N 0 0 233.311 2.048 10 30 BEEERN C=CCN1CC[C@H](O)c2ccc(OC)cc21 ZINC000584637441 358322954 /nfs/dbraw/zinc/32/29/54/358322954.db2.gz ORHSAUIBTSABNU-ZDUSSCGKSA-N 0 0 219.284 2.125 10 30 BEEERN CCCCC[C@H](O)C#CCCCC(=O)OC ZINC000584638400 358323936 /nfs/dbraw/zinc/32/39/36/358323936.db2.gz WXSVZFZXLZEJHT-LBPRGKRZSA-N 0 0 226.316 2.274 10 30 BEEERN CC#COc1ccc2ccc(=O)oc2c1 ZINC000584639922 358325674 /nfs/dbraw/zinc/32/56/74/358325674.db2.gz MMZDKUKCWDHDPW-UHFFFAOYSA-N 0 0 200.193 2.153 10 30 BEEERN CO/N=C1\CCCc2cccc(C#N)c21 ZINC000584640477 358326627 /nfs/dbraw/zinc/32/66/27/358326627.db2.gz PCMSTOMZNHFZBD-SDNWHVSQSA-N 0 0 200.241 2.245 10 30 BEEERN N#Cc1cc2nccc(Cl)c2cc1O ZINC000584640517 358326744 /nfs/dbraw/zinc/32/67/44/358326744.db2.gz VIGALVIWECQUAD-UHFFFAOYSA-N 0 0 204.616 2.465 10 30 BEEERN CC[C@@H]1CCC[C@H](NC(=O)[C@H](C)S)C1 ZINC000300226017 358569780 /nfs/dbraw/zinc/56/97/80/358569780.db2.gz PCGHFXOXTHLZNE-AEJSXWLSSA-N 0 0 215.362 2.390 10 30 BEEERN C=CCCOCCNC(=O)NCC1(C)CCC1 ZINC000125128208 358534553 /nfs/dbraw/zinc/53/45/53/358534553.db2.gz WYMPGLJAFUGDGE-UHFFFAOYSA-N 0 0 240.347 2.069 10 30 BEEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)co1 ZINC000130327516 358619688 /nfs/dbraw/zinc/61/96/88/358619688.db2.gz FAPGXLPSRUYPNS-ONGXEEELSA-N 0 0 218.256 2.010 10 30 BEEERN Cc1ccncc1CN[C@@H]1CCC[C@@H]1C#N ZINC000135459809 358839635 /nfs/dbraw/zinc/83/96/35/358839635.db2.gz DRPDFAMDYGSMKQ-DGCLKSJQSA-N 0 0 215.300 2.172 10 30 BEEERN N#CCCN1CCC[C@H](C(F)(F)F)C1 ZINC000060473974 358926114 /nfs/dbraw/zinc/92/61/14/358926114.db2.gz VFTIATATQDMENF-QMMMGPOBSA-N 0 0 206.211 2.174 10 30 BEEERN N#Cc1cc(N[C@@H]2COc3ccccc32)ccn1 ZINC000070536340 359058614 /nfs/dbraw/zinc/05/86/14/359058614.db2.gz VSQAEINVKJBZJJ-CYBMUJFWSA-N 0 0 237.262 2.499 10 30 BEEERN Cc1ncc([C@@H]2CC[C@@](C)(C=O)O2)s1 ZINC000306205830 359294802 /nfs/dbraw/zinc/29/48/02/359294802.db2.gz PDHWNRCDTGXRQZ-WPRPVWTQSA-N 0 0 211.286 2.261 10 30 BEEERN CC[C@H](S)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000306205289 359297176 /nfs/dbraw/zinc/29/71/76/359297176.db2.gz OLQXCJAHXXNPAK-GUBZILKMSA-N 0 0 215.362 2.484 10 30 BEEERN c1cnc2cc(OC[C@H]3CO3)ccc2c1 ZINC000039304084 359312740 /nfs/dbraw/zinc/31/27/40/359312740.db2.gz PLBNMAPJJGIDBG-NSHDSACASA-N 0 0 201.225 2.012 10 30 BEEERN C[C@H]1CCC(=O)N1CC1(CS)CCC1 ZINC000306231165 359379578 /nfs/dbraw/zinc/37/95/78/359379578.db2.gz DMRWIVRCUKDHKC-VIFPVBQESA-N 0 0 213.346 2.097 10 30 BEEERN N#Cc1snc(Cl)c1NCC1CC1 ZINC000306231162 359379981 /nfs/dbraw/zinc/37/99/81/359379981.db2.gz JQLWAHDSFLMHCQ-UHFFFAOYSA-N 0 0 213.693 2.490 10 30 BEEERN N/C(=N/O)c1cc(Cl)sc1Cl ZINC000306233936 359395486 /nfs/dbraw/zinc/39/54/86/359395486.db2.gz MTHUASKVZLMABY-UHFFFAOYSA-N 0 0 211.073 2.149 10 30 BEEERN CC1(C)OCC[C@@]1(C#N)NCc1ccccc1 ZINC000306249787 359449907 /nfs/dbraw/zinc/44/99/07/359449907.db2.gz YDUWGFVQVALSHF-AWEZNQCLSA-N 0 0 230.311 2.237 10 30 BEEERN C[C@H](C#N)NCc1c(F)cccc1Cl ZINC000306253991 359464263 /nfs/dbraw/zinc/46/42/63/359464263.db2.gz WBIOCDZSVNXTJT-SSDOTTSWSA-N 0 0 212.655 2.481 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1 ZINC000231202155 359466833 /nfs/dbraw/zinc/46/68/33/359466833.db2.gz SNSGIUKBKVLJAE-CHWSQXEVSA-N 0 0 243.310 2.178 10 30 BEEERN C#CCNC(=O)c1c(C)csc1Cl ZINC000306308687 359590862 /nfs/dbraw/zinc/59/08/62/359590862.db2.gz GCCBNZSTDLILCZ-UHFFFAOYSA-N 0 0 213.689 2.073 10 30 BEEERN C[C@]1([C@H]2CC[C@H](C=O)O2)CCCS1 ZINC000306330600 359611279 /nfs/dbraw/zinc/61/12/79/359611279.db2.gz CFRPPCVVHRXDDR-OPRDCNLKSA-N 0 0 200.303 2.019 10 30 BEEERN C[C@@H]1CC[C@@]1(C#N)NCc1ccccc1 ZINC000306389128 359743873 /nfs/dbraw/zinc/74/38/73/359743873.db2.gz WJJYYZPHUUVLHX-YPMHNXCESA-N 0 0 200.285 2.468 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)C12CCC(CC1)C2 ZINC000612300662 359776276 /nfs/dbraw/zinc/77/62/76/359776276.db2.gz XEKIOCXQSIAAKW-MRFPXMQZSA-N 0 0 232.327 2.375 10 30 BEEERN C[C@H]1COCC[C@]1(C#N)NCc1ccccc1 ZINC000306425994 359874186 /nfs/dbraw/zinc/87/41/86/359874186.db2.gz RJXFTNXYLMGDNE-GXTWGEPZSA-N 0 0 230.311 2.095 10 30 BEEERN C=C(C(F)(F)F)[C@@]1(O)CSC[C@H]1C ZINC000306456744 360047294 /nfs/dbraw/zinc/04/72/94/360047294.db2.gz VKYZEOJGMZVLRX-IYSWYEEDSA-N 0 0 212.236 2.219 10 30 BEEERN CC(C)n1cncc1CN[C@@H]1CCC[C@@H]1C#N ZINC000090209192 360065807 /nfs/dbraw/zinc/06/58/07/360065807.db2.gz HHSBFRFEMXFNHC-DGCLKSJQSA-N 0 0 232.331 2.246 10 30 BEEERN C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]1C ZINC000306468773 360083201 /nfs/dbraw/zinc/08/32/01/360083201.db2.gz NNBHYCJSXGXRRP-HTRCEHHLSA-N 0 0 201.697 2.290 10 30 BEEERN C[C@@H](C#N)OC(=O)c1coc(Br)c1 ZINC000306482001 360146124 /nfs/dbraw/zinc/14/61/24/360146124.db2.gz KKUTVYGPAGCDGP-YFKPBYRVSA-N 0 0 244.044 2.111 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccncc1Cl ZINC000091449848 360115917 /nfs/dbraw/zinc/11/59/17/360115917.db2.gz HTKQQPXJJCJBAV-KWQFWETISA-N 0 0 249.701 2.157 10 30 BEEERN CC1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000091973404 360138541 /nfs/dbraw/zinc/13/85/41/360138541.db2.gz WJEJUGUMIWCMTR-VXGBXAGGSA-N 0 0 235.331 2.120 10 30 BEEERN Cc1c(F)c([C@H](O)C=O)ccc1Cl ZINC000306489671 360181699 /nfs/dbraw/zinc/18/16/99/360181699.db2.gz XAAHKBDAHVZTCA-MRVPVSSYSA-N 0 0 202.612 2.020 10 30 BEEERN C#CCN(CC)c1cccc(Cl)c1N ZINC000306523739 360360808 /nfs/dbraw/zinc/36/08/08/360360808.db2.gz UTTLFHXQPYOZKO-UHFFFAOYSA-N 0 0 208.692 2.382 10 30 BEEERN C=CCCC(=O)Nc1nc(Cl)ncc1F ZINC000306522092 360357769 /nfs/dbraw/zinc/35/77/69/360357769.db2.gz OSRJTYIRJKSGMD-UHFFFAOYSA-N 0 0 229.642 2.174 10 30 BEEERN CCC[C@H](OC)[C@H](C#N)NCc1ccccc1 ZINC000306561024 360437753 /nfs/dbraw/zinc/43/77/53/360437753.db2.gz SLNJACDHOGUXJV-KBPBESRZSA-N 0 0 232.327 2.483 10 30 BEEERN Cn1cc(C(=O)C=C=CC(C)(C)C)cn1 ZINC000300731797 360423417 /nfs/dbraw/zinc/42/34/17/360423417.db2.gz FWLKZYQNGLNWAZ-UHFFFAOYSA-N 0 0 204.273 2.042 10 30 BEEERN N#Cc1cc(F)cc(OC(F)F)c1F ZINC000306560617 360435199 /nfs/dbraw/zinc/43/51/99/360435199.db2.gz RZEBWLZFDUQOCA-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN CSC(=N[C@H](C)[C@H]1CC1(C)C)NC#N ZINC000306588039 360491950 /nfs/dbraw/zinc/49/19/50/360491950.db2.gz STODYQKCDVHFIO-HTQZYQBOSA-N 0 0 211.334 2.211 10 30 BEEERN N#Cc1onc2cc(Br)ccc12 ZINC000238022599 360534226 /nfs/dbraw/zinc/53/42/26/360534226.db2.gz SVCUUWZXUUUMEZ-UHFFFAOYSA-N 0 0 223.029 2.462 10 30 BEEERN CCOC(=O)[C@H](C=O)c1ccc(Cl)cc1 ZINC000039414614 360613639 /nfs/dbraw/zinc/61/36/39/360613639.db2.gz XAAPLYUHKZIFDM-SNVBAGLBSA-N 0 0 226.659 2.186 10 30 BEEERN COC(=O)c1ccc(C)c(Cl)c1C#N ZINC000306609945 360598406 /nfs/dbraw/zinc/59/84/06/360598406.db2.gz ZMMSSDKRYUSFDK-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN CCOC(=O)Cc1c(Cl)cccc1C#N ZINC000238256836 360761526 /nfs/dbraw/zinc/76/15/26/360761526.db2.gz YRWLEYMATMEGCN-UHFFFAOYSA-N 0 0 223.659 2.317 10 30 BEEERN COC(=O)c1c(Cl)cc(C#N)cc1OC ZINC000238323989 360875296 /nfs/dbraw/zinc/87/52/96/360875296.db2.gz IZQCCSVDPUPFQC-UHFFFAOYSA-N 0 0 225.631 2.007 10 30 BEEERN CCc1cc(C(=O)OC)c(C)cc1C#N ZINC000238314303 360858972 /nfs/dbraw/zinc/85/89/72/360858972.db2.gz MFCJJPCEQOYMLQ-UHFFFAOYSA-N 0 0 203.241 2.216 10 30 BEEERN NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000100085589 181323473 /nfs/dbraw/zinc/32/34/73/181323473.db2.gz NSWMDPVPXIVLMW-UHFFFAOYSA-N 0 0 235.049 2.371 10 30 BEEERN Cc1cncc(OC(F)(F)F)c1CC#N ZINC000238542648 361146865 /nfs/dbraw/zinc/14/68/65/361146865.db2.gz SGUCLPKZGCNTNY-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN N#Cc1cc(Cl)nc(Br)c1 ZINC000238569715 361152783 /nfs/dbraw/zinc/15/27/83/361152783.db2.gz ZZPDJWVGNVZKOP-UHFFFAOYSA-N 0 0 217.453 2.369 10 30 BEEERN O=C(/C=C/C=C/c1ccccc1)[C@@H]1CO1 ZINC000238623766 361166990 /nfs/dbraw/zinc/16/69/90/361166990.db2.gz GPBIOHCEUUDVHZ-RNJYJSSVSA-N 0 0 200.237 2.224 10 30 BEEERN N#Cc1cnc(CF)cc1OC(F)(F)F ZINC000238691151 361180279 /nfs/dbraw/zinc/18/02/79/361180279.db2.gz NENZSPYTTXJMSW-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#CCc1cc(O)cc(Br)c1 ZINC000238727227 361371989 /nfs/dbraw/zinc/37/19/89/361371989.db2.gz LYFRXUQBJPYGRS-UHFFFAOYSA-N 0 0 212.046 2.221 10 30 BEEERN C[C@@H]1C[C@@](C#N)(NCc2ccccc2)CCO1 ZINC000070367189 361509970 /nfs/dbraw/zinc/50/99/70/361509970.db2.gz YXSMYZJYJRANTC-OCCSQVGLSA-N 0 0 230.311 2.237 10 30 BEEERN N#Cc1ccc(OCC[N@@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000435198408 201254526 /nfs/dbraw/zinc/25/45/26/201254526.db2.gz YHFUREAASMGSQR-HIFRSBDPSA-N 0 0 242.322 2.421 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000131202197 363918573 /nfs/dbraw/zinc/91/85/73/363918573.db2.gz MAKOVQWCIMDHCI-PSASIEDQSA-N 0 0 247.254 2.056 10 30 BEEERN COC(=O)[C@@H]1O[C@]1(C)Cc1ccc(Cl)cc1 ZINC000234566943 541311583 /nfs/dbraw/zinc/31/15/83/541311583.db2.gz LBBFPADPEZWVQU-CMPLNLGQSA-N 0 0 240.686 2.213 10 30 BEEERN C=CC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000405531854 541356329 /nfs/dbraw/zinc/35/63/29/541356329.db2.gz UYYGZSWLKNQSEP-ZDUSSCGKSA-N 0 0 239.315 2.389 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)Nc2ccccc2C#N)O1 ZINC000130691796 364396096 /nfs/dbraw/zinc/39/60/96/364396096.db2.gz HPORREOYHFBZGS-BXKDBHETSA-N 0 0 230.267 2.064 10 30 BEEERN C=CCCCN(C)c1ccc(C#N)nc1 ZINC000135503741 364442256 /nfs/dbraw/zinc/44/22/56/364442256.db2.gz NOKRSZSBWJPUHP-UHFFFAOYSA-N 0 0 201.273 2.356 10 30 BEEERN CCCCC[C@]1(C)O[C@@]1(Cl)C(=O)OC ZINC000232953727 541431040 /nfs/dbraw/zinc/43/10/40/541431040.db2.gz PPKCKFRPQLXHSE-UWVGGRQHSA-N 0 0 220.696 2.464 10 30 BEEERN C[C@H](C#N)CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000182778498 366940606 /nfs/dbraw/zinc/94/06/06/366940606.db2.gz HOPGGPYQRWLDMB-MNOVXSKESA-N 0 0 247.298 2.286 10 30 BEEERN C[C@@H](C#N)CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000182778517 366940848 /nfs/dbraw/zinc/94/08/48/366940848.db2.gz HOPGGPYQRWLDMB-QWRGUYRKSA-N 0 0 247.298 2.286 10 30 BEEERN CCC[C@H]1CCc2c(C#N)c(N)ncc2C1 ZINC000675063779 541465145 /nfs/dbraw/zinc/46/51/45/541465145.db2.gz OOGJWUHUTUXFNJ-VIFPVBQESA-N 0 0 215.300 2.440 10 30 BEEERN CCCC[C@]1(CC)O[C@]1(Cl)C(=O)OC ZINC000232997128 541508714 /nfs/dbraw/zinc/50/87/14/541508714.db2.gz HJKJRQMLMXNPPT-VHSXEESVSA-N 0 0 220.696 2.464 10 30 BEEERN CCOC(=O)c1cc2cc(C#N)c(OC)cc2[nH]1 ZINC000118855037 368345264 /nfs/dbraw/zinc/34/52/64/368345264.db2.gz PUGVJEYKNBTJFT-UHFFFAOYSA-N 0 0 244.250 2.225 10 30 BEEERN CCOC(=O)c1cc(-c2ccc(C#N)cc2)on1 ZINC000199996554 368353531 /nfs/dbraw/zinc/35/35/31/368353531.db2.gz KQKMMKWUFJZZEG-UHFFFAOYSA-N 0 0 242.234 2.390 10 30 BEEERN N#CCC(=O)OC/C=C/c1ccccc1 ZINC000038435041 368408933 /nfs/dbraw/zinc/40/89/33/368408933.db2.gz SIUIBJWSSLPRRX-QPJJXVBHSA-N 0 0 201.225 2.157 10 30 BEEERN C/C(=N\OC[C@H](C)O)[C@H]1Cc2ccccc21 ZINC000038802248 368409194 /nfs/dbraw/zinc/40/91/94/368409194.db2.gz VKFNGVQUSMHREJ-GQAQMAOJSA-N 0 0 219.284 2.100 10 30 BEEERN C=CCc1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000039040266 368409276 /nfs/dbraw/zinc/40/92/76/368409276.db2.gz VTKOZIFWMVMCIJ-UHFFFAOYSA-N 0 0 221.212 2.110 10 30 BEEERN N#CCSCC(=O)NC/C=C/c1ccccc1 ZINC000112584103 368873257 /nfs/dbraw/zinc/87/32/57/368873257.db2.gz RJCGWQDPAFGKSL-QPJJXVBHSA-N 0 0 246.335 2.073 10 30 BEEERN COCCN(CCC#N)C[C@@H]1Cc2ccccc21 ZINC000090977012 368945727 /nfs/dbraw/zinc/94/57/27/368945727.db2.gz RROGUAVKCBKWEQ-AWEZNQCLSA-N 0 0 244.338 2.188 10 30 BEEERN N#C[C@H](NC1CCCC1)c1cncs1 ZINC000161430841 369016343 /nfs/dbraw/zinc/01/63/43/369016343.db2.gz VUILXKMUIUKQHU-VIFPVBQESA-N 0 0 207.302 2.240 10 30 BEEERN O=C[C@@H]1CCCCN1Cc1ccsc1 ZINC000054237737 369060398 /nfs/dbraw/zinc/06/03/98/369060398.db2.gz OYNKHZQALHAUBW-NSHDSACASA-N 0 0 209.314 2.302 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NCc1ccns1 ZINC000404322287 369426707 /nfs/dbraw/zinc/42/67/07/369426707.db2.gz RNVQQYVXBANFQL-KOLCDFICSA-N 0 0 221.329 2.315 10 30 BEEERN CCC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)C(=O)[O-] ZINC000600704160 369559258 /nfs/dbraw/zinc/55/92/58/369559258.db2.gz YSMODQWFZLTVOA-CYBMUJFWSA-N 0 0 246.310 2.210 10 30 BEEERN N#CCN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCCC1 ZINC000251427608 369799039 /nfs/dbraw/zinc/79/90/39/369799039.db2.gz TUWCTFJMQPYWHL-ZSBIGDGJSA-N 0 0 232.327 2.327 10 30 BEEERN N#Cc1c(C2CCOCC2)[nH]nc1C(F)(F)F ZINC000409442374 369978326 /nfs/dbraw/zinc/97/83/26/369978326.db2.gz YYWPYSVOXGCRQH-UHFFFAOYSA-N 0 0 245.204 2.194 10 30 BEEERN C=CCOc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000075517136 370140782 /nfs/dbraw/zinc/14/07/82/370140782.db2.gz NQSJSXWOKIWHQA-GWCFXTLKSA-N 0 0 231.295 2.390 10 30 BEEERN CCc1c(OC)ccc(OC)c1CC#N ZINC000215266612 370384686 /nfs/dbraw/zinc/38/46/86/370384686.db2.gz FOHAJTAQLAJDLT-UHFFFAOYSA-N 0 0 205.257 2.332 10 30 BEEERN N#Cc1c(F)cccc1N1CCC[C@@H]1CCCO ZINC000093396668 371163022 /nfs/dbraw/zinc/16/30/22/371163022.db2.gz VGCQYCAZHPDPGD-LLVKDONJSA-N 0 0 248.301 2.439 10 30 BEEERN N#Cc1ccc(Cl)cc1N1CCOC1=O ZINC000093965898 371190931 /nfs/dbraw/zinc/19/09/31/371190931.db2.gz DHAMEBFFCDHTDE-UHFFFAOYSA-N 0 0 222.631 2.168 10 30 BEEERN Cc1cc(CN[C@H]2CCC[C@H]2C#N)ccn1 ZINC000391206447 371277794 /nfs/dbraw/zinc/27/77/94/371277794.db2.gz NNMLXVITBIWLIL-STQMWFEESA-N 0 0 215.300 2.172 10 30 BEEERN N#Cc1c[nH]c2ccc(Br)nc12 ZINC000095919810 371357225 /nfs/dbraw/zinc/35/72/25/371357225.db2.gz OMMZGSYJIGADGQ-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN Nc1cc[nH]c1/C=C1/Nc2ccccc2C1=O ZINC000039124259 181692121 /nfs/dbraw/zinc/69/21/21/181692121.db2.gz MAJAMQBZRLYDDY-KPKJPENVSA-N 0 0 225.251 2.246 10 30 BEEERN C[C@@H]1C[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000131187676 371567061 /nfs/dbraw/zinc/56/70/61/371567061.db2.gz NNXICJOPGJQZJP-GMSGAONNSA-N 0 0 217.228 2.287 10 30 BEEERN C[C@H]1C[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000131187883 371567492 /nfs/dbraw/zinc/56/74/92/371567492.db2.gz NNXICJOPGJQZJP-OIBJUYFYSA-N 0 0 217.228 2.287 10 30 BEEERN O=C1CC(c2cccc(Br)c2)=NO1 ZINC000161822980 371569108 /nfs/dbraw/zinc/56/91/08/371569108.db2.gz IYWWKDHSNBVERU-UHFFFAOYSA-N 0 0 240.056 2.100 10 30 BEEERN N#Cc1cc(Cl)nc(SC2COC2)c1 ZINC000215558541 371580127 /nfs/dbraw/zinc/58/01/27/371580127.db2.gz JJELLEOTVLAUOD-UHFFFAOYSA-N 0 0 226.688 2.098 10 30 BEEERN N#Cc1cc2c(cc1Br)CCN2 ZINC000216006890 371673811 /nfs/dbraw/zinc/67/38/11/371673811.db2.gz PNYZTEQAKJNRAG-UHFFFAOYSA-N 0 0 223.073 2.289 10 30 BEEERN O=C[C@H](O)c1cc2cc(Cl)ccc2o1 ZINC000131601722 371631430 /nfs/dbraw/zinc/63/14/30/371631430.db2.gz MOAFWKXHGGERJT-QMMMGPOBSA-N 0 0 210.616 2.319 10 30 BEEERN COC(=O)Cc1ccc(C#N)c(F)c1Cl ZINC000215826386 371639888 /nfs/dbraw/zinc/63/98/88/371639888.db2.gz AEBLIRXSJFPZCZ-UHFFFAOYSA-N 0 0 227.622 2.066 10 30 BEEERN N#Cc1cc(F)cc(C(F)(F)F)c1N ZINC000131856622 371698512 /nfs/dbraw/zinc/69/85/12/371698512.db2.gz DMAFNPBLLCSVDQ-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN Cc1c(N)c(C#N)ccc1COC(C)C ZINC000131869480 371700565 /nfs/dbraw/zinc/70/05/65/371700565.db2.gz HQMGROAWQKGNTP-UHFFFAOYSA-N 0 0 204.273 2.374 10 30 BEEERN C[NH2+]Cc1ccc(Br)cc1C#N ZINC000216331134 371742756 /nfs/dbraw/zinc/74/27/56/371742756.db2.gz OLDSCJCWDGUALQ-UHFFFAOYSA-N 0 0 225.089 2.040 10 30 BEEERN CCOC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000216822853 371820687 /nfs/dbraw/zinc/82/06/87/371820687.db2.gz NSOGXDBGGGHWQS-UHFFFAOYSA-N 0 0 217.268 2.399 10 30 BEEERN CC#CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162731921 371834996 /nfs/dbraw/zinc/83/49/96/371834996.db2.gz RXEZZPMVXQYRQF-UHFFFAOYSA-N 0 0 209.676 2.159 10 30 BEEERN C#CC[C@H](O)c1cc(Br)ccc1N ZINC000132765761 371918423 /nfs/dbraw/zinc/91/84/23/371918423.db2.gz JVSPJEQTNHVDSG-JTQLQIEISA-N 0 0 240.100 2.088 10 30 BEEERN N#C[C@@]1(c2ccc(Cl)cc2)C[C@@H]1CO ZINC000132780889 371922340 /nfs/dbraw/zinc/92/23/40/371922340.db2.gz XSMNRWXFAQNXGI-MWLCHTKSSA-N 0 0 207.660 2.114 10 30 BEEERN C#CCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000163122632 371933647 /nfs/dbraw/zinc/93/36/47/371933647.db2.gz SNKOBUQTIWGRGZ-UHFFFAOYSA-N 0 0 211.604 2.260 10 30 BEEERN C[C@@]1(C(=O)Nc2cccc(C#N)c2)CCCC[NH2+]1 ZINC000133070312 371981567 /nfs/dbraw/zinc/98/15/67/371981567.db2.gz VBHWNCUHQRDLPH-AWEZNQCLSA-N 0 0 243.310 2.029 10 30 BEEERN N#CC1(c2nc(C3CC3)ns2)CCC1 ZINC000306249510 372002641 /nfs/dbraw/zinc/00/26/41/372002641.db2.gz XZSANCNGLYPQIE-UHFFFAOYSA-N 0 0 205.286 2.361 10 30 BEEERN C=CC[C@H](O)[C@H]1SCCS[C@@H]1C ZINC000228092237 371989846 /nfs/dbraw/zinc/98/98/46/371989846.db2.gz VFCYXJMHPLZQKL-VGMNWLOBSA-N 0 0 204.360 2.161 10 30 BEEERN C[C@H](C#N)N1CCC[C@@H](C(F)(F)F)C1 ZINC000217851874 372019977 /nfs/dbraw/zinc/01/99/77/372019977.db2.gz XGHIOWDEQRSEMZ-HTQZYQBOSA-N 0 0 206.211 2.173 10 30 BEEERN C[C@H](S)C(=O)N1CCCCCCCC1 ZINC000306479321 372025080 /nfs/dbraw/zinc/02/50/80/372025080.db2.gz IAYLWIGCWZKUEE-JTQLQIEISA-N 0 0 215.362 2.488 10 30 BEEERN C[C@@H](C#N)Oc1c(N)cccc1Br ZINC000133448291 372052031 /nfs/dbraw/zinc/05/20/31/372052031.db2.gz PWDKIWIZNSVFSJ-LURJTMIESA-N 0 0 241.088 2.322 10 30 BEEERN N#Cc1cnc(Cl)cc1OC(F)F ZINC000306712277 372058822 /nfs/dbraw/zinc/05/88/22/372058822.db2.gz YSMFIWSKXDONFL-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C=CCCC(=O)Nc1cnc(Cl)cn1 ZINC000231209293 372003894 /nfs/dbraw/zinc/00/38/94/372003894.db2.gz CDRZQIDVYWZWQD-UHFFFAOYSA-N 0 0 211.652 2.035 10 30 BEEERN C#C[C@H](NCC)c1ncccc1Br ZINC000133255187 372012691 /nfs/dbraw/zinc/01/26/91/372012691.db2.gz RFCURCOLVUXLEV-VIFPVBQESA-N 0 0 239.116 2.128 10 30 BEEERN CC[C@H](S)C(=O)N[C@H]1CCCC[C@H]1C ZINC000307243150 372101778 /nfs/dbraw/zinc/10/17/78/372101778.db2.gz JWLKQLHCTLAMTB-UTLUCORTSA-N 0 0 215.362 2.390 10 30 BEEERN CC(C)=NS(=O)(=O)c1ccc(C)cc1 ZINC000008550344 372757959 /nfs/dbraw/zinc/75/79/59/372757959.db2.gz XGLJCACADGVCDF-UHFFFAOYSA-N 0 0 211.286 2.165 10 30 BEEERN Cc1ccncc1NC1=NCCCS1 ZINC000070959002 374235372 /nfs/dbraw/zinc/23/53/72/374235372.db2.gz OHFLYXATIIKMGZ-UHFFFAOYSA-N 0 0 207.302 2.104 10 30 BEEERN OCC#Cc1cccc(COC2CCCC2)c1 ZINC000049619864 183033224 /nfs/dbraw/zinc/03/32/24/183033224.db2.gz WYWLGQRHKGYGKL-UHFFFAOYSA-N 0 0 230.307 2.490 10 30 BEEERN OCC[C@@](F)(OC(F)(F)F)C(F)(F)F ZINC000091251939 183095908 /nfs/dbraw/zinc/09/59/08/183095908.db2.gz BYUMCOXUHYUDKS-GSVOUGTGSA-N 0 0 230.079 2.133 10 30 BEEERN CCCN(CC#N)C(=O)C1(c2ccccc2)CC1 ZINC000058617402 169091120 /nfs/dbraw/zinc/09/11/20/169091120.db2.gz SKNUDEBQOPXLER-UHFFFAOYSA-N 0 0 242.322 2.480 10 30 BEEERN CCCN(CC/C(N)=N/O)c1ccccc1 ZINC000019514801 169133397 /nfs/dbraw/zinc/13/33/97/169133397.db2.gz CREIXFPUCPZTNR-UHFFFAOYSA-N 0 0 221.304 2.040 10 30 BEEERN CCCNC(=O)Nc1cccc(/C(C)=N/O)c1 ZINC000020257417 169239820 /nfs/dbraw/zinc/23/98/20/169239820.db2.gz KIFBRVULXVYMJN-OQLLNIDSSA-N 0 0 235.287 2.416 10 30 BEEERN CCCN[C@@H](C#N)c1cc(OC)cc(OC)c1 ZINC000020379762 169273115 /nfs/dbraw/zinc/27/31/15/169273115.db2.gz AUBIJGXFSUAOET-ZDUSSCGKSA-N 0 0 234.299 2.268 10 30 BEEERN CCCN[C@@H](C#N)COc1cc(F)ccc1F ZINC000071168333 169273337 /nfs/dbraw/zinc/27/33/37/169273337.db2.gz ZCKYBFXQZOUIAX-JTQLQIEISA-N 0 0 240.253 2.235 10 30 BEEERN CCCN[C@@H](C#N)CN1CCC(CCC)CC1 ZINC000050905504 169273616 /nfs/dbraw/zinc/27/36/16/169273616.db2.gz IMGJIXJSNGLBLX-AWEZNQCLSA-N 0 0 237.391 2.390 10 30 BEEERN CCCOCc1ccc(F)cc1C#CCCO ZINC000049621848 169309573 /nfs/dbraw/zinc/30/95/73/169309573.db2.gz SDUNBEFVCFBDTD-UHFFFAOYSA-N 0 0 236.286 2.486 10 30 BEEERN CCC[C@@H](C#N)C(=O)N[C@H](C)[C@@H](C)CC ZINC000044824920 169342972 /nfs/dbraw/zinc/34/29/72/169342972.db2.gz OIAHKTVAMOPUBN-AXFHLTTASA-N 0 0 210.321 2.477 10 30 BEEERN CCCOc1cccc([C@H](C#N)NC)c1 ZINC000020176608 169325825 /nfs/dbraw/zinc/32/58/25/169325825.db2.gz WXNADMHZWIAFSL-LBPRGKRZSA-N 0 0 204.273 2.259 10 30 BEEERN CCCOc1nc(N(C)C[C@@H](C)C#N)ccc1N ZINC000042455152 169327904 /nfs/dbraw/zinc/32/79/04/169327904.db2.gz WQOVFWQJHAJUOH-JTQLQIEISA-N 0 0 248.330 2.048 10 30 BEEERN CCCOc1nc2c(cc1C#N)CCC2 ZINC000043407791 169328440 /nfs/dbraw/zinc/32/84/40/169328440.db2.gz AQNCYLOHBAYUPD-UHFFFAOYSA-N 0 0 202.257 2.231 10 30 BEEERN CC(C)(C)OC(=O)NC1=CC(=O)CCC1 ZINC000039093559 166660265 /nfs/dbraw/zinc/66/02/65/166660265.db2.gz WLRSWFSXNWMACY-UHFFFAOYSA-N 0 0 211.261 2.148 10 30 BEEERN N#Cc1cnc(Oc2ccc3c[nH]nc3c2)cn1 ZINC000126361130 383919246 /nfs/dbraw/zinc/91/92/46/383919246.db2.gz OVWRZKILFGOZJP-UHFFFAOYSA-N 0 0 237.222 2.017 10 30 BEEERN N#CCc1cnc2cccc(Br)n12 ZINC000036291676 383893074 /nfs/dbraw/zinc/89/30/74/383893074.db2.gz PEJFULAKSPSWHO-UHFFFAOYSA-N 0 0 236.072 2.163 10 30 BEEERN Cc1nc(CN(C)c2ccc(F)cc2C#N)no1 ZINC000302142705 383996905 /nfs/dbraw/zinc/99/69/05/383996905.db2.gz FWTXPOZPVVEPQL-UHFFFAOYSA-N 0 0 246.245 2.025 10 30 BEEERN Cc1ccn([C@H]2CC[C@@H](C)C2)c(=O)c1C#N ZINC000334936210 383974816 /nfs/dbraw/zinc/97/48/16/383974816.db2.gz ZHKGSCMFMFXFQM-KOLCDFICSA-N 0 0 216.284 2.390 10 30 BEEERN Cc1nc(N2C[C@@H]3CCC[C@H]32)ccc1C#N ZINC000335855322 384025420 /nfs/dbraw/zinc/02/54/20/384025420.db2.gz WMUSLKIVYVLHTB-NWDGAFQWSA-N 0 0 213.284 2.250 10 30 BEEERN CCOc1cc(C)c(CC#N)c(C#N)c1 ZINC000575650047 384013259 /nfs/dbraw/zinc/01/32/59/384013259.db2.gz RGGPPEZSCUEYNI-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN CCCC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000049817707 384046787 /nfs/dbraw/zinc/04/67/87/384046787.db2.gz RTXYPCRNBTZILQ-NSHDSACASA-N 0 0 220.247 2.307 10 30 BEEERN CCc1ccc([C@@H](C#N)OC(C)=O)cc1 ZINC000039100870 384104067 /nfs/dbraw/zinc/10/40/67/384104067.db2.gz PUZJWXDRGIJECK-GFCCVEGCSA-N 0 0 203.241 2.377 10 30 BEEERN COC(C/N=C/c1ccc(Cl)cc1)OC ZINC000091351747 384120570 /nfs/dbraw/zinc/12/05/70/384120570.db2.gz DYWPRMAUHGGHOQ-NTUHNPAUSA-N 0 0 227.691 2.378 10 30 BEEERN Cc1ccnc([C@H](C#N)C(=O)OC(C)(C)C)c1 ZINC000091353030 384120637 /nfs/dbraw/zinc/12/06/37/384120637.db2.gz AEAVNQOARYQBLF-JTQLQIEISA-N 0 0 232.283 2.339 10 30 BEEERN CCOc1ccc(C#N)c(CC#N)c1F ZINC000575645670 384149244 /nfs/dbraw/zinc/14/92/44/384149244.db2.gz RPPLLVBLEXWZBC-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN C=C(Cl)CNc1ccc(C#N)cc1N ZINC000135536930 384170924 /nfs/dbraw/zinc/17/09/24/384170924.db2.gz HRALHACTENOPDO-UHFFFAOYSA-N 0 0 207.664 2.305 10 30 BEEERN COc1c(C)c(OC)c(C=O)c(C)c1C#N ZINC000100272142 384177675 /nfs/dbraw/zinc/17/76/75/384177675.db2.gz XHAWUDHCKWXZMW-UHFFFAOYSA-N 0 0 219.240 2.005 10 30 BEEERN CCN(CCC#N)CC(=O)Nc1cccc(C)c1 ZINC000042454539 384222523 /nfs/dbraw/zinc/22/25/23/384222523.db2.gz RDXAQYDECGILKM-UHFFFAOYSA-N 0 0 245.326 2.169 10 30 BEEERN C[C@]1(C(=O)Nc2ccc(F)cc2C#N)CCCO1 ZINC000119378368 384226697 /nfs/dbraw/zinc/22/66/97/384226697.db2.gz KRDFMBZUFHEXTC-CYBMUJFWSA-N 0 0 248.257 2.205 10 30 BEEERN C=C1CCCC(C)(C)[C@]1(O)/C=C/[C@@H](C)O ZINC000014587657 384245136 /nfs/dbraw/zinc/24/51/36/384245136.db2.gz UAZPGDNBPIYJFY-UULDIIRDSA-N 0 0 210.317 2.421 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1ccc(C#N)cc1F ZINC000134401954 384256968 /nfs/dbraw/zinc/25/69/68/384256968.db2.gz PROCXIUTNLVVKP-KCJUWKMLSA-N 0 0 220.247 2.287 10 30 BEEERN O=C(C=C(O)C=Cc1ccco1)C(F)(F)F ZINC000100316312 384274761 /nfs/dbraw/zinc/27/47/61/384274761.db2.gz RKAWLTFMVGLLTJ-ONEGZZNKSA-N 0 0 232.157 2.383 10 30 BEEERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1C#N ZINC000191836131 384343422 /nfs/dbraw/zinc/34/34/22/384343422.db2.gz PTWCMLMQFHLWPY-CMPLNLGQSA-N 0 0 244.294 2.312 10 30 BEEERN CCOc1cc(OC(F)F)cc(O)c1CC#N ZINC000575655404 384351551 /nfs/dbraw/zinc/35/15/51/384351551.db2.gz DXWUEEOWXQLPFV-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 ZINC000076033694 384353536 /nfs/dbraw/zinc/35/35/36/384353536.db2.gz BHSODCUVRAKAOR-SKDRFNHKSA-N 0 0 229.283 2.283 10 30 BEEERN COc1c(F)cc(CCC=O)cc1F ZINC000095883972 384405742 /nfs/dbraw/zinc/40/57/42/384405742.db2.gz JPJKQXUHFIIRON-UHFFFAOYSA-N 0 0 200.184 2.105 10 30 BEEERN N#CCc1c(F)cc([N+](=O)[O-])cc1OC(F)F ZINC000575660847 384412409 /nfs/dbraw/zinc/41/24/09/384412409.db2.gz APQDETPWGWFCBM-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN COc1c(O)cc(OC(F)F)cc1CC#N ZINC000575662994 384422812 /nfs/dbraw/zinc/42/28/12/384422812.db2.gz NWWAHJREPILPDN-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN Cc1nc(C)c(C(=O)NC2(C#N)CCCC2)s1 ZINC000121990181 384447990 /nfs/dbraw/zinc/44/79/90/384447990.db2.gz OVNFUNHGXLWXOE-UHFFFAOYSA-N 0 0 249.339 2.326 10 30 BEEERN Cc1cc(C#N)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575669158 384451726 /nfs/dbraw/zinc/45/17/26/384451726.db2.gz ZBLXGDOVKQIQDR-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN C[C@@H]1SCC[C@]1(O)c1ccccc1C#N ZINC000521400543 384627288 /nfs/dbraw/zinc/62/72/88/384627288.db2.gz AHDNYRPVQHLIIC-JOYOIKCWSA-N 0 0 219.309 2.271 10 30 BEEERN C[Si](C)(C)C#Cc1cnccc1C=O ZINC000196911413 384630402 /nfs/dbraw/zinc/63/04/02/384630402.db2.gz GUTVGUCXXZAUBR-UHFFFAOYSA-N 0 0 203.317 2.123 10 30 BEEERN N#CCN[C@@H](c1ccccn1)C1CCCC1 ZINC000309607290 384633913 /nfs/dbraw/zinc/63/39/13/384633913.db2.gz YJEXUORDQIFNRL-CYBMUJFWSA-N 0 0 215.300 2.426 10 30 BEEERN COc1ccc([C@H](C)NCCC#N)cc1OC ZINC000020199933 384597195 /nfs/dbraw/zinc/59/71/95/384597195.db2.gz CQABLBOVRUYROJ-JTQLQIEISA-N 0 0 234.299 2.268 10 30 BEEERN O=C(C=C(O)C=Cc1ccco1)C(F)F ZINC000100316294 384634462 /nfs/dbraw/zinc/63/44/62/384634462.db2.gz HCXRHKBNYQZIMR-ONEGZZNKSA-N 0 0 214.167 2.086 10 30 BEEERN CCN(C[C@@H](C)C#N)C(=O)Cc1ccccc1 ZINC000042295980 384639386 /nfs/dbraw/zinc/63/93/86/384639386.db2.gz UHQBEOSOJGBCAL-LBPRGKRZSA-N 0 0 230.311 2.237 10 30 BEEERN COc1cc(O)c(CC#N)c(Br)c1 ZINC000575692173 384646458 /nfs/dbraw/zinc/64/64/58/384646458.db2.gz DTSIWZWFDQIIRN-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN COc1cc(Br)cc(O)c1CC#N ZINC000575692858 384650532 /nfs/dbraw/zinc/65/05/32/384650532.db2.gz NWEOELFGDISICZ-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN COc1c(O)cc(CC#N)cc1Br ZINC000575693008 384655391 /nfs/dbraw/zinc/65/53/91/384655391.db2.gz POINEWUGDSRKOF-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN CC(C)N(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000119574228 384729181 /nfs/dbraw/zinc/72/91/81/384729181.db2.gz WPWKNCHZISAUTC-LLVKDONJSA-N 0 0 246.310 2.192 10 30 BEEERN N#CCN1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174381023 384785182 /nfs/dbraw/zinc/78/51/82/384785182.db2.gz JFUXTOJWDUKGRV-KBPBESRZSA-N 0 0 230.311 2.098 10 30 BEEERN C=CCOc1c(OC)cccc1C(C)=O ZINC000379893365 384799100 /nfs/dbraw/zinc/79/91/00/384799100.db2.gz BHTARESJWJIYSH-UHFFFAOYSA-N 0 0 206.241 2.463 10 30 BEEERN COc1cc(N)c(CC#N)cc1C(F)(F)F ZINC000575717791 384883101 /nfs/dbraw/zinc/88/31/01/384883101.db2.gz ZTODYQBIHUOCKW-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN Cc1cc(C)c2ncc(C#N)c(OCCO)c2c1 ZINC000072236946 384841209 /nfs/dbraw/zinc/84/12/09/384841209.db2.gz ULZCHEFCLVUIMP-UHFFFAOYSA-N 0 0 242.278 2.094 10 30 BEEERN N#Cc1cccc(C[N@H+]2CCCC[C@H](CO)C2)c1 ZINC000363357552 384842363 /nfs/dbraw/zinc/84/23/63/384842363.db2.gz ZVQQTVMKFZGGIK-HNNXBMFYSA-N 0 0 244.338 2.153 10 30 BEEERN CCOc1cccc2c(=O)ccn(CCC#N)c12 ZINC000072237146 384843269 /nfs/dbraw/zinc/84/32/69/384843269.db2.gz NRPVEEXJDIRZLB-UHFFFAOYSA-N 0 0 242.278 2.314 10 30 BEEERN N#CCc1c(F)ccc(N)c1OC(F)F ZINC000575715983 384868173 /nfs/dbraw/zinc/86/81/73/384868173.db2.gz CKGHJFKWJHLHFJ-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN N#CCCN1CCC(c2ccccn2)CC1 ZINC000057497441 384949889 /nfs/dbraw/zinc/94/98/89/384949889.db2.gz KVPBADJQABFMDY-UHFFFAOYSA-N 0 0 215.300 2.175 10 30 BEEERN CCOc1cc(/C=N/O)ccc1OC(F)F ZINC000057324178 384938056 /nfs/dbraw/zinc/93/80/56/384938056.db2.gz WSVOHKMNLADWSS-AWNIVKPZSA-N 0 0 231.198 2.495 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000149805498 384947807 /nfs/dbraw/zinc/94/78/07/384947807.db2.gz FUIBEXCIJYXNKU-WRWORJQWSA-N 0 0 238.237 2.426 10 30 BEEERN CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C#N)C(C)(F)F ZINC000336220074 384977114 /nfs/dbraw/zinc/97/71/14/384977114.db2.gz ZHRZXYNQIXJHTQ-RKDXNWHRSA-N 0 0 244.285 2.476 10 30 BEEERN C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000249007516 384978013 /nfs/dbraw/zinc/97/80/13/384978013.db2.gz ZRRLYHVRMHZHLG-DMDPSCGWSA-N 0 0 225.332 2.272 10 30 BEEERN C=CCCCCNc1nccnc1N(C)C ZINC000302239829 384985636 /nfs/dbraw/zinc/98/56/36/384985636.db2.gz HOPANUIQUNURQY-UHFFFAOYSA-N 0 0 220.320 2.311 10 30 BEEERN C=CC[C@@H](CO)Nc1cccc(C)c1[N+](=O)[O-] ZINC000302495538 384995589 /nfs/dbraw/zinc/99/55/89/384995589.db2.gz MCOSPCLTPLIZNH-JTQLQIEISA-N 0 0 236.271 2.252 10 30 BEEERN C=CCSCCNc1cc(C)c(C)nn1 ZINC000302790933 385020648 /nfs/dbraw/zinc/02/06/48/385020648.db2.gz HAFWHNCEEKZUMF-UHFFFAOYSA-N 0 0 223.345 2.425 10 30 BEEERN CC#CCCN1CCO[C@H](c2ccc(C)o2)C1 ZINC000157121643 385082172 /nfs/dbraw/zinc/08/21/72/385082172.db2.gz PLYUYPBRDJKIHT-AWEZNQCLSA-N 0 0 233.311 2.375 10 30 BEEERN Cc1ccnc(NC[C@H]2CCCC[C@H]2O)c1C#N ZINC000135081900 385151911 /nfs/dbraw/zinc/15/19/11/385151911.db2.gz YJXIVYKROHQESK-DGCLKSJQSA-N 0 0 245.326 2.225 10 30 BEEERN Cc1cc(C(=O)NC2(C#N)CCCC2)co1 ZINC000130319930 385237080 /nfs/dbraw/zinc/23/70/80/385237080.db2.gz TWSSMIFEXJHNJN-UHFFFAOYSA-N 0 0 218.256 2.154 10 30 BEEERN O=C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)CC[C@H]21 ZINC000575602509 385265746 /nfs/dbraw/zinc/26/57/46/385265746.db2.gz PXJCKOZUSDEFJE-LURQLKTLSA-N 0 0 222.206 2.179 10 30 BEEERN CC(=O)Nc1cccc(C[C@@H](C)C=O)c1 ZINC000033966359 385269224 /nfs/dbraw/zinc/26/92/24/385269224.db2.gz FKRCZOATDPFOOL-SECBINFHSA-N 0 0 205.257 2.023 10 30 BEEERN O=CC1(COc2ncccc2Cl)CC1 ZINC000409430914 385328509 /nfs/dbraw/zinc/32/85/09/385328509.db2.gz IEZWNTNRIOCONA-UHFFFAOYSA-N 0 0 211.648 2.093 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@H]2CCO[C@@H]2C)n1 ZINC000149803640 385517102 /nfs/dbraw/zinc/51/71/02/385517102.db2.gz VIKOBBKAQYLKHF-PWSUYJOCSA-N 0 0 231.299 2.159 10 30 BEEERN CCOC(=O)c1cc(C#N)cc(F)c1C ZINC000259980111 385634679 /nfs/dbraw/zinc/63/46/79/385634679.db2.gz CNDWUHCTNQOWSD-UHFFFAOYSA-N 0 0 207.204 2.183 10 30 BEEERN N#C[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000336677677 385608351 /nfs/dbraw/zinc/60/83/51/385608351.db2.gz MDEUFGAKYBRBIR-NKWVEPMBSA-N 0 0 238.272 2.155 10 30 BEEERN C=CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000309528027 385663568 /nfs/dbraw/zinc/66/35/68/385663568.db2.gz BGJBZIMVHYJZIL-OCCSQVGLSA-N 0 0 217.312 2.058 10 30 BEEERN Cc1sc(N)c(C#N)c1[C@H]1CCOC1 ZINC000306964021 385729782 /nfs/dbraw/zinc/72/97/82/385729782.db2.gz IMNXVDGGGCVKEJ-ZETCQYMHSA-N 0 0 208.286 2.014 10 30 BEEERN CCC[C@@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1C#N ZINC000231662602 385812754 /nfs/dbraw/zinc/81/27/54/385812754.db2.gz HRSDHUQSHUJTRM-KCJUWKMLSA-N 0 0 246.270 2.462 10 30 BEEERN CCOC(=O)c1cc(F)c(C)c(C#N)c1 ZINC000261321717 386020014 /nfs/dbraw/zinc/02/00/14/386020014.db2.gz JRKKGLKMHIBYTC-UHFFFAOYSA-N 0 0 207.204 2.183 10 30 BEEERN N#Cc1cnccc1-c1n[nH]c2ccc(N)cc21 ZINC000211527325 386121531 /nfs/dbraw/zinc/12/15/31/386121531.db2.gz YAJCIUHOWZTOSJ-UHFFFAOYSA-N 0 0 235.250 2.079 10 30 BEEERN Cc1occc1Sc1cnc(C#N)cn1 ZINC000129355883 386075906 /nfs/dbraw/zinc/07/59/06/386075906.db2.gz WBOXPOZBDPLCFC-UHFFFAOYSA-N 0 0 217.253 2.401 10 30 BEEERN CO[C@@H](c1noc(-c2ccc(C#N)[nH]2)n1)C1CC1 ZINC000234773318 386099308 /nfs/dbraw/zinc/09/93/08/386099308.db2.gz RRWGWHGIJVAOGF-SNVBAGLBSA-N 0 0 244.254 2.034 10 30 BEEERN C=C[C@H](C)Nc1cc(Br)ncn1 ZINC000229319327 386100539 /nfs/dbraw/zinc/10/05/39/386100539.db2.gz HNSCTKKVHBSQBH-LURJTMIESA-N 0 0 228.093 2.226 10 30 BEEERN C=CCC1(S(=O)(=O)OCCCC)CC1 ZINC000090447926 386244184 /nfs/dbraw/zinc/24/41/84/386244184.db2.gz IPPUGUIDBWVETH-UHFFFAOYSA-N 0 0 218.318 2.242 10 30 BEEERN CC(C)[C@H]1OCC[C@H]1CNc1ccc(C#N)cn1 ZINC000267182475 386195046 /nfs/dbraw/zinc/19/50/46/386195046.db2.gz FTRFXPCFCCETKQ-GXTWGEPZSA-N 0 0 245.326 2.426 10 30 BEEERN C[C@H]1CC[C@H](O)CN1Cc1cc(C#N)ccc1F ZINC000399194336 386412452 /nfs/dbraw/zinc/41/24/52/386412452.db2.gz CQKZTOFKEOPJFQ-GWCFXTLKSA-N 0 0 248.301 2.043 10 30 BEEERN CCc1c(C#N)cc(CC#N)cc1OC ZINC000575643934 386582333 /nfs/dbraw/zinc/58/23/33/386582333.db2.gz DSVSNWXIVVYQTJ-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN Cc1ccc(CN(C)c2ccc(C#N)nc2)o1 ZINC000124001531 386592858 /nfs/dbraw/zinc/59/28/58/386592858.db2.gz CWEGPPUMBWZHAJ-UHFFFAOYSA-N 0 0 227.267 2.491 10 30 BEEERN O=C(C#Cc1ccncc1)c1ccccc1 ZINC000000005327 386595126 /nfs/dbraw/zinc/59/51/26/386595126.db2.gz KFUHVVNWDJTSQX-UHFFFAOYSA-N 0 0 207.232 2.316 10 30 BEEERN COc1cc(CC#N)c(OC(F)F)cc1C#N ZINC000575639376 386560150 /nfs/dbraw/zinc/56/01/50/386560150.db2.gz AQEBKBZTAVLVRW-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000328972580 386664166 /nfs/dbraw/zinc/66/41/66/386664166.db2.gz PDNHTCINZPQZLA-YWVKMMECSA-N 0 0 248.330 2.055 10 30 BEEERN CC(=O)OC(C)(C)C(=O)c1cccc(F)c1C#N ZINC000575362082 386769496 /nfs/dbraw/zinc/76/94/96/386769496.db2.gz ZXXBCARLUKGHII-UHFFFAOYSA-N 0 0 249.241 2.222 10 30 BEEERN COC(=O)CCCC(=O)c1cccc(F)c1C#N ZINC000575361715 386762930 /nfs/dbraw/zinc/76/29/30/386762930.db2.gz JEZCKMGIOWXBGL-UHFFFAOYSA-N 0 0 249.241 2.223 10 30 BEEERN COC(=O)c1c(F)ccc(C#N)c1OC(F)F ZINC000575385995 386946924 /nfs/dbraw/zinc/94/69/24/386946924.db2.gz SHOKRMPCMBRSPT-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)c1cc(C#N)c(F)c(OC(F)F)c1 ZINC000575385996 386947164 /nfs/dbraw/zinc/94/71/64/386947164.db2.gz SHVIRTDJOYMKCJ-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN CCOC(=O)c1cc(C(F)F)cc(O)c1C#N ZINC000575387612 386947747 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2.196 10 30 BEEERN CSC[C@H](C)N(C)c1cccc(C#N)n1 ZINC000122469307 388397424 /nfs/dbraw/zinc/39/74/24/388397424.db2.gz PNUNCAQKNOOVGD-VIFPVBQESA-N 0 0 221.329 2.141 10 30 BEEERN COC(=O)c1c(C#N)cc(F)cc1OC(F)F ZINC000575386015 388458701 /nfs/dbraw/zinc/45/87/01/388458701.db2.gz USNSPVBQPLZBDI-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN C[C@H]1CCC[C@H]1C(=O)NCC(C)(C)CC#N ZINC000315517108 256745489 /nfs/dbraw/zinc/74/54/89/256745489.db2.gz ZVRQUHCWRVOLQV-WDEREUQCSA-N 0 0 222.332 2.479 10 30 BEEERN Cc1cc(C(=O)N(CCC#N)C(C)C)ccc1N ZINC000036798168 177745749 /nfs/dbraw/zinc/74/57/49/177745749.db2.gz HIRXMTSTNCTLLP-UHFFFAOYSA-N 0 0 245.326 2.342 10 30 BEEERN CN[C@@H](C#N)c1ccc(Br)s1 ZINC000041678741 388438822 /nfs/dbraw/zinc/43/88/22/388438822.db2.gz UWVMSNPYYLIBIJ-YFKPBYRVSA-N 0 0 231.118 2.295 10 30 BEEERN COC(=O)c1cc(C(F)F)cc(C#N)c1C=O ZINC000575389397 388487375 /nfs/dbraw/zinc/48/73/75/388487375.db2.gz GELYPURJQWYJAM-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN C#CCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183461194 388569952 /nfs/dbraw/zinc/56/99/52/388569952.db2.gz HQZSGDBPOVEXMW-MNOVXSKESA-N 0 0 207.317 2.198 10 30 BEEERN COC(=O)Cc1c(C#N)ccc(C(F)F)c1F ZINC000575390005 388570291 /nfs/dbraw/zinc/57/02/91/388570291.db2.gz ZRBZJLBICVOECZ-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN CN(CCc1ccccc1)c1ccc(C#N)nn1 ZINC000301950970 388616914 /nfs/dbraw/zinc/61/69/14/388616914.db2.gz ZSFBQRODVCIRMH-UHFFFAOYSA-N 0 0 238.294 2.027 10 30 BEEERN CCS[C@H]1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC000301991676 388618618 /nfs/dbraw/zinc/61/86/18/388618618.db2.gz MUKBURDNYGYBQP-KOLCDFICSA-N 0 0 248.355 2.434 10 30 BEEERN CC#CCN1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000276155147 388738825 /nfs/dbraw/zinc/73/88/25/388738825.db2.gz ZUQZXDLLYCUTGP-AWEZNQCLSA-N 0 0 243.354 2.449 10 30 BEEERN N#Cc1sc(-c2ccsn2)cc1N ZINC000575453308 388749439 /nfs/dbraw/zinc/74/94/39/388749439.db2.gz BIRJVPAUGVZQEX-UHFFFAOYSA-N 0 0 207.283 2.325 10 30 BEEERN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000248759168 388693517 /nfs/dbraw/zinc/69/35/17/388693517.db2.gz VSQPMAXLNZPDTP-AVGNSLFASA-N 0 0 239.359 2.256 10 30 BEEERN C[C@@H]1C[NH+](CC(C)(C)CCC#N)C[C@@H](C)O1 ZINC000127043006 388712632 /nfs/dbraw/zinc/71/26/32/388712632.db2.gz URVMVWCUTOKXAQ-VXGBXAGGSA-N 0 0 224.348 2.426 10 30 BEEERN COc1ccccc1-c1nnc(C#N)s1 ZINC000259598840 388722224 /nfs/dbraw/zinc/72/22/24/388722224.db2.gz LXIPWCFUNCXBGO-UHFFFAOYSA-N 0 0 217.253 2.085 10 30 BEEERN Cc1nc(-c2cccnc2)sc1C#N ZINC000082419640 388727024 /nfs/dbraw/zinc/72/70/24/388727024.db2.gz JAQXSLWMHZUNIS-UHFFFAOYSA-N 0 0 201.254 2.385 10 30 BEEERN CC(C)[C@H](C#N)NC(=O)[C@@H]1CCC[C@@H]1C ZINC000230063971 388810815 /nfs/dbraw/zinc/81/08/15/388810815.db2.gz HJJFORYXEFHOHV-AXFHLTTASA-N 0 0 208.305 2.087 10 30 BEEERN COC(=O)c1ccc2c(C#N)cccc2c1 ZINC000095751980 388786198 /nfs/dbraw/zinc/78/61/98/388786198.db2.gz DCWCNMSLTJKVOY-UHFFFAOYSA-N 0 0 211.220 2.498 10 30 BEEERN Cc1nc(CNc2cnc(C#N)cn2)sc1C ZINC000126008785 388815868 /nfs/dbraw/zinc/81/58/68/388815868.db2.gz SPZCZJRFMIAYJD-UHFFFAOYSA-N 0 0 245.311 2.034 10 30 BEEERN CCOCCCNc1cc(C)nc(C)c1C#N ZINC000157379957 388832673 /nfs/dbraw/zinc/83/26/73/388832673.db2.gz GVUMYKHVNUNGAT-UHFFFAOYSA-N 0 0 233.315 2.409 10 30 BEEERN CC(C)C1=C(C#N)[C@H](OC2CC2)C=CN1 ZINC000095722236 166755568 /nfs/dbraw/zinc/75/55/68/166755568.db2.gz NFKZBYYGDUAHLA-GHMZBOCLSA-N 0 0 204.273 2.298 10 30 BEEERN C#C[C@H](C)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000186059020 533294249 /nfs/dbraw/zinc/29/42/49/533294249.db2.gz ZFAZXSCDIIYWAJ-CYZMBNFOSA-N 0 0 219.328 2.341 10 30 BEEERN C[C@@H]1CN(c2c(C#N)cccc2C#N)C[C@@H](C)O1 ZINC000302449982 132263744 /nfs/dbraw/zinc/26/37/44/132263744.db2.gz PARPIJWQXMKQBL-GHMZBOCLSA-N 0 0 241.294 2.044 10 30 BEEERN C[C@@H]1[C@@H](O)CCCN1c1cccc(F)c1C#N ZINC000295090890 132308035 /nfs/dbraw/zinc/30/80/35/132308035.db2.gz ZEULMYWQMYNMLW-RNCFNFMXSA-N 0 0 234.274 2.047 10 30 BEEERN C[C@@H]1CCCN(c2ccc(/C(N)=N/O)cc2)C1 ZINC000019865664 132327859 /nfs/dbraw/zinc/32/78/59/132327859.db2.gz IBQSCDLZHXJRJY-SNVBAGLBSA-N 0 0 233.315 2.017 10 30 BEEERN C[C@H](CC#N)N1CCN(c2ccccc2F)CC1 ZINC000037746601 132345435 /nfs/dbraw/zinc/34/54/35/132345435.db2.gz HFSKWWUTFNJZTE-GFCCVEGCSA-N 0 0 247.317 2.250 10 30 BEEERN CN(C)[C@H](C#N)c1ccc2c(c1)CCCN2C ZINC000050287954 132358995 /nfs/dbraw/zinc/35/89/95/132358995.db2.gz OGELMIVTDSUCLB-CQSZACIVSA-N 0 0 229.327 2.195 10 30 BEEERN O=C[C@@H]1CCCCN1c1nncc2ccccc21 ZINC000054268324 132363775 /nfs/dbraw/zinc/36/37/75/132363775.db2.gz XGHLMBOPZWHDBY-LBPRGKRZSA-N 0 0 241.294 2.188 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)c1cccnc1C1CC1 ZINC000329262221 133962385 /nfs/dbraw/zinc/96/23/85/133962385.db2.gz GCBBLERDTXTSGK-BXKDBHETSA-N 0 0 246.310 2.441 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC2(CCC2)C1 ZINC000329667286 133969980 /nfs/dbraw/zinc/96/99/80/133969980.db2.gz QMVVEQVDQDZTHH-RYUDHWBXSA-N 0 0 247.342 2.469 10 30 BEEERN CCc1nnc(N[C@@H]2CCC[C@@H]2C#N)nc1CC ZINC000330292830 134000220 /nfs/dbraw/zinc/00/02/20/134000220.db2.gz DLKQSOTXPJOSDV-BXKDBHETSA-N 0 0 245.330 2.101 10 30 BEEERN C[C@@H]1C[C@H](C(=O)N(C)CC#N)CC(C)(C)C1 ZINC000336162953 134111866 /nfs/dbraw/zinc/11/18/66/134111866.db2.gz NVOMEOIZLUBZAC-MNOVXSKESA-N 0 0 222.332 2.431 10 30 BEEERN N#CC1CCN(c2cnc3c(n2)CCCC3)CC1 ZINC000333574742 134118608 /nfs/dbraw/zinc/11/86/08/134118608.db2.gz SMHZWPXMRGAEIB-UHFFFAOYSA-N 0 0 242.326 2.095 10 30 BEEERN CN1CCN(CC2CCCCCC2)C[C@H]1C#N ZINC000336433329 134147246 /nfs/dbraw/zinc/14/72/46/134147246.db2.gz XIVGIKCZACGCON-CQSZACIVSA-N 0 0 235.375 2.096 10 30 BEEERN Cc1cc(F)cc2[nH]c(C(=O)N(C)CC#N)cc21 ZINC000116741016 134218806 /nfs/dbraw/zinc/21/88/06/134218806.db2.gz BEDIOZCNEBLPRO-UHFFFAOYSA-N 0 0 245.257 2.211 10 30 BEEERN Cc1ccc2c(c1)[C@H](NC(=O)CC#N)[C@@H](C)C2 ZINC000120111227 134228230 /nfs/dbraw/zinc/22/82/30/134228230.db2.gz YOWDOUCADAOWPW-IINYFYTJSA-N 0 0 228.295 2.258 10 30 BEEERN N#CC1(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000121002305 134231360 /nfs/dbraw/zinc/23/13/60/134231360.db2.gz NQTJRHXIPNSHQG-NWDGAFQWSA-N 0 0 232.327 2.375 10 30 BEEERN C=C(C)CN(CC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000121359913 134233207 /nfs/dbraw/zinc/23/32/07/134233207.db2.gz AVSBIJZQQCNRTP-RYUDHWBXSA-N 0 0 240.347 2.162 10 30 BEEERN CC#CCNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000121436745 134234085 /nfs/dbraw/zinc/23/40/85/134234085.db2.gz GEKWWBNGFXJMJL-LBPRGKRZSA-N 0 0 243.306 2.082 10 30 BEEERN C#CCCCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000179773826 134323527 /nfs/dbraw/zinc/32/35/27/134323527.db2.gz UUFCCMBTXFAMPD-UONOGXRCSA-N 0 0 249.354 2.350 10 30 BEEERN C[C@@H](C#N)N1CCC[C@H](c2nccs2)C1 ZINC000181651967 134338313 /nfs/dbraw/zinc/33/83/13/134338313.db2.gz DEHUCWLKVFDXRV-UWVGGRQHSA-N 0 0 221.329 2.235 10 30 BEEERN Cc1nc(C)c(C(=O)N[C@H]2CCC[C@H]2C#N)s1 ZINC000225124238 134351078 /nfs/dbraw/zinc/35/10/78/134351078.db2.gz TZKVKOHEBUVQCF-UWVGGRQHSA-N 0 0 249.339 2.182 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)o1 ZINC000225121422 134351291 /nfs/dbraw/zinc/35/12/91/134351291.db2.gz KHEUUJMZDIPGSQ-SFYZADRCSA-N 0 0 238.674 2.355 10 30 BEEERN Cc1cnc([C@H](C)NC(=O)C2(C#N)CCCC2)o1 ZINC000226615998 134368171 /nfs/dbraw/zinc/36/81/71/134368171.db2.gz OWXVVXMXAIXWKC-JTQLQIEISA-N 0 0 247.298 2.244 10 30 BEEERN C[C@@H](C#N)N(C)C[C@@H]1OCCc2ccccc21 ZINC000226917910 134371770 /nfs/dbraw/zinc/37/17/70/134371770.db2.gz KOJTYLVOZHBAPS-FZMZJTMJSA-N 0 0 230.311 2.144 10 30 BEEERN CCCCc1noc(-c2cc(C#N)cn2C)n1 ZINC000227545493 134383067 /nfs/dbraw/zinc/38/30/67/134383067.db2.gz GYSCGANIHIKSLZ-UHFFFAOYSA-N 0 0 230.271 2.289 10 30 BEEERN C[C@H](C#N)N(C)CCCOc1ccccc1 ZINC000061815844 134393094 /nfs/dbraw/zinc/39/30/94/134393094.db2.gz YUPIHTZDYQINKN-GFCCVEGCSA-N 0 0 218.300 2.299 10 30 BEEERN C[C@@H](CC#N)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000063095381 134396086 /nfs/dbraw/zinc/39/60/86/134396086.db2.gz HIXDKTBCXSKOGH-NSHDSACASA-N 0 0 247.298 2.371 10 30 BEEERN C[C@@H](C#N)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190980663 134566423 /nfs/dbraw/zinc/56/64/23/134566423.db2.gz FKOIZQLNGDDFRN-NSHDSACASA-N 0 0 222.332 2.322 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCCCC1 ZINC000061889278 134803827 /nfs/dbraw/zinc/80/38/27/134803827.db2.gz CSJHFLWPPVBCRT-RYUDHWBXSA-N 0 0 220.316 2.375 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1 ZINC000061889113 134804228 /nfs/dbraw/zinc/80/42/28/134804228.db2.gz NLMCNABEVCDPDC-CMPLNLGQSA-N 0 0 232.258 2.248 10 30 BEEERN Cc1ccoc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061889153 134804352 /nfs/dbraw/zinc/80/43/52/134804352.db2.gz XGSZTOXUAPZPMA-VHSXEESVSA-N 0 0 218.256 2.010 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1sccc1F ZINC000335570620 134877175 /nfs/dbraw/zinc/87/71/75/134877175.db2.gz VQHGSKUOKXSMLN-VXNVDRBHSA-N 0 0 238.287 2.309 10 30 BEEERN CCCc1nsc(N[C@@H]2CCC[C@H]2C#N)n1 ZINC000336757052 134935638 /nfs/dbraw/zinc/93/56/38/134935638.db2.gz HLEGPYNJMZODLE-DTWKUNHWSA-N 0 0 236.344 2.017 10 30 BEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)C#N ZINC000248467172 135012481 /nfs/dbraw/zinc/01/24/81/135012481.db2.gz SRPGJFKGBGIIEH-BXKDBHETSA-N 0 0 232.331 2.086 10 30 BEEERN C[C@H](C#N)N1CCO[C@](C)(c2ccccc2)C1 ZINC000248475231 135013034 /nfs/dbraw/zinc/01/30/34/135013034.db2.gz XPFJOAHFPFRKJD-OCCSQVGLSA-N 0 0 230.311 2.146 10 30 BEEERN N#Cc1ccc(CO)c(C(F)(F)F)c1 ZINC000238725341 135077512 /nfs/dbraw/zinc/07/75/12/135077512.db2.gz GFWCDWYWFWCNFX-UHFFFAOYSA-N 0 0 201.147 2.069 10 30 BEEERN Cc1ncsc1CN[C@@H]1CCC[C@@H]1C#N ZINC000084149404 135188211 /nfs/dbraw/zinc/18/82/11/135188211.db2.gz KZDZBNVLPFWMDW-NXEZZACHSA-N 0 0 221.329 2.233 10 30 BEEERN C[C@@H](C#N)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC000335450012 135414384 /nfs/dbraw/zinc/41/43/84/135414384.db2.gz LPSYMJIWYIRFNN-IUCAKERBSA-N 0 0 230.258 2.182 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CCCCCC1 ZINC000091971276 135490177 /nfs/dbraw/zinc/49/01/77/135490177.db2.gz CYSBFHBBMQYYNW-VXGBXAGGSA-N 0 0 235.331 2.264 10 30 BEEERN CC[C@H]1C[C@H]1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000230184834 135524997 /nfs/dbraw/zinc/52/49/97/135524997.db2.gz BOGQZNXFDHXPNT-IONNQARKSA-N 0 0 232.243 2.072 10 30 BEEERN Cc1nc(C)c(CN[C@@H]2CCC[C@H]2C#N)o1 ZINC000381896081 397815553 /nfs/dbraw/zinc/81/55/53/397815553.db2.gz STWVDAJMHSTMGF-WDEREUQCSA-N 0 0 219.288 2.073 10 30 BEEERN Cc1nc(C)c(CN[C@H]2CCC[C@@H]2C#N)o1 ZINC000381896070 397815745 /nfs/dbraw/zinc/81/57/45/397815745.db2.gz STWVDAJMHSTMGF-MNOVXSKESA-N 0 0 219.288 2.073 10 30 BEEERN CC[C@H](C#N)N1CCC=C(Br)C1 ZINC000307015956 397968548 /nfs/dbraw/zinc/96/85/48/397968548.db2.gz OIDZCPPAGQRDGQ-SECBINFHSA-N 0 0 229.121 2.273 10 30 BEEERN CC(=O)CN=C1NC(=Nc2cccc(C)c2)S1 ZINC000020407955 397963842 /nfs/dbraw/zinc/96/38/42/397963842.db2.gz NTAFBTZOECCPSO-UHFFFAOYSA-N 0 0 247.323 2.264 10 30 BEEERN C[Si](C)(C)C#Cc1ncnc2[nH]ccc21 ZINC000169991530 398033031 /nfs/dbraw/zinc/03/30/31/398033031.db2.gz KSSMTNGVYCFIDI-UHFFFAOYSA-N 0 0 215.332 2.187 10 30 BEEERN C=C=CC(=O)c1occc1Br ZINC000575509653 397970402 /nfs/dbraw/zinc/97/04/02/397970402.db2.gz YJPLHIZMTPAUAO-UHFFFAOYSA-N 0 0 213.030 2.248 10 30 BEEERN C=CCCN(CCC=O)C(=O)OC(C)(C)C ZINC000584658122 398081923 /nfs/dbraw/zinc/08/19/23/398081923.db2.gz CAPIZOGNSJPMCN-UHFFFAOYSA-N 0 0 227.304 2.389 10 30 BEEERN CCOC(=O)c1ccc(CC)c(OC)c1C#N ZINC000575387979 398132858 /nfs/dbraw/zinc/13/28/58/398132858.db2.gz GBHSZWIDMQUXNJ-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](CC)CC1 ZINC000301049873 487572356 /nfs/dbraw/zinc/57/23/56/487572356.db2.gz SAGACKPRXTVBMV-MNOVXSKESA-N 0 0 211.305 2.138 10 30 BEEERN C#CCN[C@](CC)(C[C@@H](C)CC)C(=O)OCC ZINC000051965308 166192733 /nfs/dbraw/zinc/19/27/33/166192733.db2.gz VVHMRMBLDPVXSE-GXTWGEPZSA-N 0 0 239.359 2.357 10 30 BEEERN C#Cc1cccc(NC[C@H]2CCOC2)c1 ZINC000019876988 166223932 /nfs/dbraw/zinc/22/39/32/166223932.db2.gz AJZNUZFPWQYZPK-GFCCVEGCSA-N 0 0 201.269 2.116 10 30 BEEERN c1ccc(CN=Nc2nncc3ccccc32)nc1 ZINC000007007204 166229444 /nfs/dbraw/zinc/22/94/44/166229444.db2.gz YUPZQTSEMUTFOX-LICLKQGHSA-N 0 0 249.277 2.471 10 30 BEEERN C=CCN(C(=O)c1ccccc1N)C(C)C ZINC000037839793 166312308 /nfs/dbraw/zinc/31/23/08/166312308.db2.gz APCHLOUTHIVXPR-UHFFFAOYSA-N 0 0 218.300 2.305 10 30 BEEERN C=CCNC(=S)N=NCc1ccc(C)s1 ZINC000013879001 166350868 /nfs/dbraw/zinc/35/08/68/166350868.db2.gz LGXBGMVHSHFTFH-KPKJPENVSA-N 0 0 239.369 2.452 10 30 BEEERN C=CCNC(=O)[C@@H](C)Nc1cc(F)ccc1C ZINC000020314695 166385292 /nfs/dbraw/zinc/38/52/92/166385292.db2.gz DQZSBCSIMZGVIN-SNVBAGLBSA-N 0 0 236.290 2.237 10 30 BEEERN C=CCNC(=O)[C@H](C)Sc1ccc(N)cc1 ZINC000016971943 166390955 /nfs/dbraw/zinc/39/09/55/166390955.db2.gz XNMOYSSJQZIVEU-VIFPVBQESA-N 0 0 236.340 2.052 10 30 BEEERN C=CCNC(=S)N/N=C/c1ccc(C)cc1C ZINC000013684371 166395096 /nfs/dbraw/zinc/39/50/96/166395096.db2.gz ASEBMZBBCNIBHY-OQLLNIDSSA-N 0 0 247.367 2.287 10 30 BEEERN C=CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411487 166401796 /nfs/dbraw/zinc/40/17/96/166401796.db2.gz IOWDFYQFBJTHRS-UHFFFAOYSA-N 0 0 242.116 2.430 10 30 BEEERN C=CCN[C@H](C#N)c1ccc(F)cc1C ZINC000051960272 166406462 /nfs/dbraw/zinc/40/64/62/166406462.db2.gz KEQLBQTZVLFQMB-GFCCVEGCSA-N 0 0 204.248 2.474 10 30 BEEERN CC(C)CC(=O)Nc1ccc(N)cc1C#N ZINC000036737847 166771664 /nfs/dbraw/zinc/77/16/64/166771664.db2.gz DSWHRFSSPQPAGV-UHFFFAOYSA-N 0 0 217.272 2.125 10 30 BEEERN CC(C)NC(=O)N[C@H](C#N)C1CCCCC1 ZINC000040220727 167076223 /nfs/dbraw/zinc/07/62/23/167076223.db2.gz IZEJXDIXKKPJIO-LLVKDONJSA-N 0 0 223.320 2.166 10 30 BEEERN CC(C)N[C@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000037902549 167142708 /nfs/dbraw/zinc/14/27/08/167142708.db2.gz IWBHDDAMAXOQHX-CQSZACIVSA-N 0 0 231.343 2.489 10 30 BEEERN CC(C)Nc1nc2cc(C#N)ccc2[nH]1 ZINC000045238631 167149139 /nfs/dbraw/zinc/14/91/39/167149139.db2.gz DWAVQKWBNZZZRO-UHFFFAOYSA-N 0 0 200.245 2.255 10 30 BEEERN CC(C)Oc1ncc(C#N)cc1OC1CC1 ZINC000095734824 167314213 /nfs/dbraw/zinc/31/42/13/167314213.db2.gz JSKQEHJLQVZEFO-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)[C@@H](C#N)C(=O)N(C)Cc1ccco1 ZINC000044822844 167340115 /nfs/dbraw/zinc/34/01/15/167340115.db2.gz BWDYDZSJHUIPNI-LLVKDONJSA-N 0 0 220.272 2.034 10 30 BEEERN CC(C)[C@@H](C#N)C(=O)N(C)c1ccccc1 ZINC000044808867 167340476 /nfs/dbraw/zinc/34/04/76/167340476.db2.gz JPMLINOACVHMCC-GFCCVEGCSA-N 0 0 216.284 2.445 10 30 BEEERN CC(C)[C@@H](C#N)C(=O)NCC1CCCCC1 ZINC000044822522 167340838 /nfs/dbraw/zinc/34/08/38/167340838.db2.gz MJJOOUYASNXMKQ-GFCCVEGCSA-N 0 0 222.332 2.479 10 30 BEEERN CC(C)[C@@H](C#N)C(=O)N(C)CC(C)(C)C ZINC000045088770 167341124 /nfs/dbraw/zinc/34/11/24/167341124.db2.gz TYVFYZAMJQLETL-SNVBAGLBSA-N 0 0 210.321 2.287 10 30 BEEERN C=CCN(CC=C)C(=O)Nc1ccnn1CCC ZINC000043723054 411125937 /nfs/dbraw/zinc/12/59/37/411125937.db2.gz MOXQNJMCFWHNSQ-UHFFFAOYSA-N 0 0 248.330 2.499 10 30 BEEERN CC[C@@H](CC#N)NC(=O)Cc1ccccc1 ZINC000054177660 411192142 /nfs/dbraw/zinc/19/21/42/411192142.db2.gz WINSLFVEHBTWPX-LBPRGKRZSA-N 0 0 216.284 2.038 10 30 BEEERN CC[NH+]=C(C)Nc1ccccc1C(=O)[O-] ZINC000039086958 167862527 /nfs/dbraw/zinc/86/25/27/167862527.db2.gz OAEWWANCARDTKK-UHFFFAOYSA-N 0 0 206.245 2.235 10 30 BEEERN CCN(CC)c1sc(C(C)=O)c(N)c1C#N ZINC000082330184 169807118 /nfs/dbraw/zinc/80/71/18/169807118.db2.gz UBXNMQDJUSHETG-UHFFFAOYSA-N 0 0 237.328 2.251 10 30 BEEERN Cc1ccc(Oc2nnc(C)c(C)c2C#N)cn1 ZINC000049832744 411298063 /nfs/dbraw/zinc/29/80/63/411298063.db2.gz WHDYSGLOHDRLSW-UHFFFAOYSA-N 0 0 240.266 2.461 10 30 BEEERN CC1=C2[C@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000004098179 168090957 /nfs/dbraw/zinc/09/09/57/168090957.db2.gz XJHDMGJURBVLLE-OMSPQPPYSA-N 0 0 246.306 2.420 10 30 biogenic,in-vitro BEEERN CC1CC(=O)N(c2ccc(CC#N)cc2)C(=O)C1 ZINC000061828806 168138730 /nfs/dbraw/zinc/13/87/30/168138730.db2.gz AYSNKRKRMXFCRO-UHFFFAOYSA-N 0 0 242.278 2.042 10 30 BEEERN CC1CCC(N(C)c2nccnc2C#N)CC1 ZINC000054379303 168160123 /nfs/dbraw/zinc/16/01/23/168160123.db2.gz SYDCXTLLXWPPKF-UHFFFAOYSA-N 0 0 230.315 2.363 10 30 BEEERN CCN(c1nnc(C)c(C)c1C#N)C(C)C ZINC000040290830 169945412 /nfs/dbraw/zinc/94/54/12/169945412.db2.gz 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BEEERN CCOC(=O)[C@@H](C#N)c1ccc(OCC)cc1 ZINC000049822750 170244690 /nfs/dbraw/zinc/24/46/90/170244690.db2.gz QUFAXMCOGFPHCI-LBPRGKRZSA-N 0 0 233.267 2.256 10 30 BEEERN CCOC(=O)[C@@H](C)/N=C/c1ccccc1 ZINC000002244269 170245415 /nfs/dbraw/zinc/24/54/15/170245415.db2.gz LYZBDHZAIXLWRM-QQMDNXKGSA-N 0 0 205.257 2.057 10 30 in-vitro BEEERN CCOC(=O)[C@H](C#N)Cc1ccc(F)cc1 ZINC000034783738 170263585 /nfs/dbraw/zinc/26/35/85/170263585.db2.gz FUYJHFPQDLHCGX-JTQLQIEISA-N 0 0 221.231 2.071 10 30 BEEERN CCOC(=O)c1c[nH]c2c1cccc2C#N ZINC000261234334 170289834 /nfs/dbraw/zinc/28/98/34/170289834.db2.gz VSDIGOFKVIHDIX-UHFFFAOYSA-N 0 0 214.224 2.216 10 30 BEEERN CCOC(=O)c1cc(C#N)c(Cl)cc1O ZINC000002551304 170291053 /nfs/dbraw/zinc/29/10/53/170291053.db2.gz JLXSEYPIENPNSL-UHFFFAOYSA-N 0 0 225.631 2.094 10 30 BEEERN CCOC(=O)c1cc2cccc(C#N)c2[nH]1 ZINC000038417164 170293939 /nfs/dbraw/zinc/29/39/39/170293939.db2.gz HNWCCGDDFQJLJX-UHFFFAOYSA-N 0 0 214.224 2.216 10 30 BEEERN CCSCc1noc(-c2cc(C#N)c[nH]2)n1 ZINC000230998542 170645862 /nfs/dbraw/zinc/64/58/62/170645862.db2.gz QLMCVYKFFCALAH-UHFFFAOYSA-N 0 0 234.284 2.189 10 30 BEEERN CC[C@@H](C#N)N[C@@H]1CCOc2ccccc21 ZINC000051986881 170660287 /nfs/dbraw/zinc/66/02/87/170660287.db2.gz HYUFJQBAAQNROB-CMPLNLGQSA-N 0 0 216.284 2.402 10 30 BEEERN CC[C@@H](C)[C@H](C)Nc1ncc(N)cc1C#N ZINC000042552693 170792309 /nfs/dbraw/zinc/79/23/09/170792309.db2.gz QXPASELYYOMMNG-BDAKNGLRSA-N 0 0 218.304 2.382 10 30 BEEERN CC[C@@H]1CCCCN1C(=O)c1ccc(C#N)nc1 ZINC000114995052 170962193 /nfs/dbraw/zinc/96/21/93/170962193.db2.gz XNPCHLQVBSQESS-CYBMUJFWSA-N 0 0 243.310 2.358 10 30 BEEERN CC[C@@H]1CC[C@@H](C)N1c1nccc(C#N)n1 ZINC000231904871 171038573 /nfs/dbraw/zinc/03/85/73/171038573.db2.gz ZCBAUVFBDBJSFL-MWLCHTKSSA-N 0 0 216.288 2.116 10 30 BEEERN CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CCC[C@@H]1C#N ZINC000042450710 171109278 /nfs/dbraw/zinc/10/92/78/171109278.db2.gz HINXCFMLXIDZPH-UMSGYPCISA-N 0 0 222.332 2.178 10 30 BEEERN CC[C@H](C#N)n1ncc2ccc(N)cc21 ZINC000043541954 171220390 /nfs/dbraw/zinc/22/03/90/171220390.db2.gz NSFPMYXMDUGCTP-SNVBAGLBSA-N 0 0 200.245 2.093 10 30 BEEERN CC[C@H](C)C(=O)Nc1ccc(C#CCO)cc1F ZINC000037548879 171254888 /nfs/dbraw/zinc/25/48/88/171254888.db2.gz LVLFNCMLTIZYKM-JTQLQIEISA-N 0 0 249.285 2.154 10 30 BEEERN CC[C@H](C)NC(=O)COc1ccc(CC#N)cc1 ZINC000019487795 171326697 /nfs/dbraw/zinc/32/66/97/171326697.db2.gz VGMGLKLHZUVEOF-NSHDSACASA-N 0 0 246.310 2.046 10 30 BEEERN CCn1c2ccccc2cc(CC#N)c1=O ZINC000049474308 172131920 /nfs/dbraw/zinc/13/19/20/172131920.db2.gz RPZWXCLTVURKPO-UHFFFAOYSA-N 0 0 212.252 2.087 10 30 BEEERN CCn1c2ccccc2nc1CNC[C@@H](C)C#N ZINC000052684657 172145053 /nfs/dbraw/zinc/14/50/53/172145053.db2.gz YRQUWOLYJHEMTP-NSHDSACASA-N 0 0 242.326 2.305 10 30 BEEERN CCn1ccnc1N(CCC#N)C(C)C ZINC000050608012 172225770 /nfs/dbraw/zinc/22/57/70/172225770.db2.gz XMNAIFAUOOBLGC-UHFFFAOYSA-N 0 0 206.293 2.031 10 30 BEEERN CCn1ccnc1CNc1ccccc1C#N ZINC000051920874 172226424 /nfs/dbraw/zinc/22/64/24/172226424.db2.gz ATAOZYFDYUEMJF-UHFFFAOYSA-N 0 0 226.283 2.387 10 30 BEEERN CN(C(=O)C(C)(C)C#N)c1cccc(F)c1 ZINC000050009118 172295411 /nfs/dbraw/zinc/29/54/11/172295411.db2.gz YLPUTFZAYFJEAS-UHFFFAOYSA-N 0 0 220.247 2.338 10 30 BEEERN CN(C)/C=N/c1nc(C(C)(C)C)ccc1C#N ZINC000087493675 172352184 /nfs/dbraw/zinc/35/21/84/172352184.db2.gz VPQQNJYOPLPGNC-OQLLNIDSSA-N 0 0 230.315 2.472 10 30 BEEERN CN(C)/C=N/c1ccc(Cl)cc1C#N ZINC000111873484 172352349 /nfs/dbraw/zinc/35/23/49/172352349.db2.gz MHRWOIFPYHVBPV-NTUHNPAUSA-N 0 0 207.664 2.433 10 30 BEEERN CN(C)/N=C/c1cccc(Br)c1 ZINC000003165466 172352512 /nfs/dbraw/zinc/35/25/12/172352512.db2.gz YLBQRNWYFYLHCT-YRNVUSSQSA-N 0 0 227.105 2.345 10 30 BEEERN CNC1=CC(=O)C[C@@H](c2ccccc2)C1 ZINC000011564167 173322296 /nfs/dbraw/zinc/32/22/96/173322296.db2.gz DSLZVRPZJZIDJX-NSHDSACASA-N 0 0 201.269 2.236 10 30 BEEERN CN[C@@](C)(C#N)CCCn1ncc2ccccc21 ZINC000050527936 173440451 /nfs/dbraw/zinc/44/04/51/173440451.db2.gz UQBDRIVXPOBSPF-CQSZACIVSA-N 0 0 242.326 2.318 10 30 BEEERN CN[C@H](C#N)CCOc1c(C)ccc(C)c1C ZINC000019667044 173441157 /nfs/dbraw/zinc/44/11/57/173441157.db2.gz IJASTCZNWAPFGJ-ZDUSSCGKSA-N 0 0 232.327 2.492 10 30 BEEERN CN[C@H](C#N)CCOc1ccc(C)c(C)c1 ZINC000019667040 173441307 /nfs/dbraw/zinc/44/13/07/173441307.db2.gz QQPOBJFMLJHRSU-LBPRGKRZSA-N 0 0 218.300 2.184 10 30 BEEERN CNc1c(C#N)cnc2cc(F)c(F)cc21 ZINC000050842529 173470891 /nfs/dbraw/zinc/47/08/91/173470891.db2.gz QCLBGJVIVPCFQI-UHFFFAOYSA-N 0 0 219.194 2.426 10 30 BEEERN CNc1snnc1COc1ccc(C#N)cc1 ZINC000050831099 173490589 /nfs/dbraw/zinc/49/05/89/173490589.db2.gz PJBYCXRLVNXFCS-UHFFFAOYSA-N 0 0 246.295 2.030 10 30 BEEERN COC(=O)[C@@H](C)Nc1cccc(Cl)c1C#N ZINC000052903660 173691866 /nfs/dbraw/zinc/69/18/66/173691866.db2.gz LRQRDYXRXXCHSM-SSDOTTSWSA-N 0 0 238.674 2.185 10 30 BEEERN COC(=O)[C@H](C#N)c1cccc(Cl)c1 ZINC000049814648 173762949 /nfs/dbraw/zinc/76/29/49/173762949.db2.gz GCMXNRWGEQVNFC-SECBINFHSA-N 0 0 209.632 2.120 10 30 BEEERN COC(=O)[C@H](C)Nc1ccc(Cl)cc1C#N ZINC000052857015 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BEEERN COc1ccc(C2=CC(=O)CC2)c(OC)c1 ZINC000032013245 175084330 /nfs/dbraw/zinc/08/43/30/175084330.db2.gz VLSAHNYJFHAJJQ-UHFFFAOYSA-N 0 0 218.252 2.450 10 30 BEEERN COc1ccc(CN(C)[C@@H](C)CC#N)cc1N ZINC000063085132 175096523 /nfs/dbraw/zinc/09/65/23/175096523.db2.gz WYMLNNBKESDNJF-JTQLQIEISA-N 0 0 233.315 2.011 10 30 BEEERN COc1ccc(CN[C@H](C#N)C(C)C)cc1OC ZINC000057537105 175110644 /nfs/dbraw/zinc/11/06/44/175110644.db2.gz ZPYUNMIKBJVNQK-GFCCVEGCSA-N 0 0 248.326 2.342 10 30 BEEERN COc1ccc(COCC(C)C)cc1C#CCO ZINC000049620940 175113611 /nfs/dbraw/zinc/11/36/11/175113611.db2.gz TZSYKGIRUGRNPR-UHFFFAOYSA-N 0 0 248.322 2.212 10 30 BEEERN COc1ccc(Cl)cc1[C@@H](C#N)C=O ZINC000037354648 175121653 /nfs/dbraw/zinc/12/16/53/175121653.db2.gz QHTTWLKEGVPADB-ZETCQYMHSA-N 0 0 209.632 2.155 10 30 BEEERN COc1ccc(N[C@@H](C#N)c2cnn(C)c2)cc1 ZINC000037936609 175153129 /nfs/dbraw/zinc/15/31/29/175153129.db2.gz BWSCWMQJFPSABU-ZDUSSCGKSA-N 0 0 242.282 2.105 10 30 BEEERN COc1ccc(N[C@@H](C)CC#N)c(OC)c1 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/nfs/dbraw/zinc/17/41/67/175174167.db2.gz WAPHVOJNFFMMTM-UHFFFAOYSA-N 0 0 241.250 2.336 10 30 BEEERN COc1ccc2sc(CC#N)nc2c1 ZINC000045236779 175232229 /nfs/dbraw/zinc/23/22/29/175232229.db2.gz YSXKBDUITYKTJJ-UHFFFAOYSA-N 0 0 204.254 2.371 10 30 BEEERN COc1cccc(/C=C\C(=O)/C=C\N(C)C)c1 ZINC000077024846 175240776 /nfs/dbraw/zinc/24/07/76/175240776.db2.gz NHZXROTVMVZZBR-QRLRYFCNSA-N 0 0 231.295 2.353 10 30 BEEERN COc1cccc(Nc2ncc(N)cc2C#N)c1 ZINC000037759007 175281197 /nfs/dbraw/zinc/28/11/97/175281197.db2.gz CMAGJJZDQASDOK-UHFFFAOYSA-N 0 0 240.266 2.288 10 30 BEEERN COc1cccc(Oc2ncc(N)cc2C#N)c1 ZINC000037759249 175285009 /nfs/dbraw/zinc/28/50/09/175285009.db2.gz SMYAFQOJFVMAAE-UHFFFAOYSA-N 0 0 241.250 2.336 10 30 BEEERN COc1cccc([C@@H](C#N)NC[C@H]2CCCO2)c1 ZINC000037940080 175285907 /nfs/dbraw/zinc/28/59/07/175285907.db2.gz DSJPAIUKAUGPPV-ZIAGYGMSSA-N 0 0 246.310 2.028 10 30 BEEERN COc1cccc2c(C(=O)CC#N)c[nH]c21 ZINC000011919595 175298329 /nfs/dbraw/zinc/29/83/29/175298329.db2.gz 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BEEERN CSc1nn([C@H](C)C2CC2)c(N)c1C#N ZINC000040931922 175590637 /nfs/dbraw/zinc/59/06/37/175590637.db2.gz MUHPSMJSMXZONX-ZCFIWIBFSA-N 0 0 222.317 2.030 10 30 BEEERN C[C@@H](CC#N)N(C)c1ccc(C#N)cc1F ZINC000063093590 175638348 /nfs/dbraw/zinc/63/83/48/175638348.db2.gz BAWBHGKASGVBSH-VIFPVBQESA-N 0 0 217.247 2.436 10 30 BEEERN C[C@@H](OC1CCC1)C(=O)Nc1ccccc1C#N ZINC000050520451 176002715 /nfs/dbraw/zinc/00/27/15/176002715.db2.gz PIOZFAFVWQBDFA-SNVBAGLBSA-N 0 0 244.294 2.454 10 30 BEEERN C[C@@H](c1ccc(N)cc1)N(C)CCC#N ZINC000040908752 176015761 /nfs/dbraw/zinc/01/57/61/176015761.db2.gz OPCLDHOXVHHUQM-JTQLQIEISA-N 0 0 203.289 2.175 10 30 BEEERN C[C@@H]1CCCC[C@H]1Oc1ccnc(/C(N)=N/O)c1 ZINC000061813931 176090606 /nfs/dbraw/zinc/09/06/06/176090606.db2.gz ZXEYDRCSOZXZQO-BXKDBHETSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235325676 176234948 /nfs/dbraw/zinc/23/49/48/176234948.db2.gz NCOLIDNBURROEH-BDAKNGLRSA-N 0 0 246.270 2.462 10 30 BEEERN C[C@@H]1CCc2cc(C#N)c(=S)[nH]c2C1 ZINC000072416532 176239077 /nfs/dbraw/zinc/23/90/77/176239077.db2.gz SLHPJGUVFPKTNZ-SSDOTTSWSA-N 0 0 204.298 2.367 10 30 BEEERN C[C@@H]1CN(c2cnc(C#N)cn2)[C@H]2CCCC[C@H]12 ZINC000129479462 176320251 /nfs/dbraw/zinc/32/02/51/176320251.db2.gz SBKACEMUUMBISL-RTXFEEFZSA-N 0 0 242.326 2.363 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1Cc1ccc(C#N)cc1F ZINC000120916514 176346884 /nfs/dbraw/zinc/34/68/84/176346884.db2.gz QURWOTFCZRSVLU-GHMZBOCLSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@H](OCCC/C(N)=N/O)c1ccccc1 ZINC000019519480 177021277 /nfs/dbraw/zinc/02/12/77/177021277.db2.gz QMNOQSALJSGOJB-JTQLQIEISA-N 0 0 222.288 2.291 10 30 BEEERN C[C@H](SCC#N)C(=O)OCc1ccccc1 ZINC000082692365 177026287 /nfs/dbraw/zinc/02/62/87/177026287.db2.gz KQAPKWDUCHTYJN-JTQLQIEISA-N 0 0 235.308 2.375 10 30 BEEERN C[C@H]1CCCC[C@H]1Oc1ccnc(/C(N)=N/O)c1 ZINC000061813932 177090292 /nfs/dbraw/zinc/09/02/92/177090292.db2.gz ZXEYDRCSOZXZQO-JOYOIKCWSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@@H]1C[C@@H](C)CCN1C(=O)C(C)(C)C#N ZINC000051733797 177144977 /nfs/dbraw/zinc/14/49/77/177144977.db2.gz UNRVPMBQTQECQT-VHSXEESVSA-N 0 0 208.305 2.183 10 30 BEEERN C[C@H]1CCc2cc(C#N)c(=S)[nH]c2C1 ZINC000072416533 177209076 /nfs/dbraw/zinc/20/90/76/177209076.db2.gz SLHPJGUVFPKTNZ-ZETCQYMHSA-N 0 0 204.298 2.367 10 30 BEEERN C[C@H]1CN(Cc2ccc(C#N)o2)CC(C)(C)O1 ZINC000119517582 177261526 /nfs/dbraw/zinc/26/15/26/177261526.db2.gz GZDSBOHVWUMGLU-JTQLQIEISA-N 0 0 234.299 2.151 10 30 BEEERN C[C@H]1CN(Cc2ccc(C#N)o2)CCS1 ZINC000131349831 177262511 /nfs/dbraw/zinc/26/25/11/177262511.db2.gz ICKGUGWPKVPMRH-VIFPVBQESA-N 0 0 222.313 2.089 10 30 BEEERN C[C@H]1C[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000103085103 177346580 /nfs/dbraw/zinc/34/65/80/177346580.db2.gz OJWJRBYGVZVXOZ-CABZTGNLSA-N 0 0 246.335 2.175 10 30 BEEERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000077498195 177383906 /nfs/dbraw/zinc/38/39/06/177383906.db2.gz BQTBUGSUAOABFZ-WRWORJQWSA-N 0 0 233.246 2.227 10 30 BEEERN C[C@H]1C[C@H]1Nc1c(C#N)nnc2ccccc21 ZINC000076324469 177386199 /nfs/dbraw/zinc/38/61/99/177386199.db2.gz BXUQONZPLZAUSX-GZMMTYOYSA-N 0 0 224.267 2.322 10 30 BEEERN C[C@H]1OCCC[C@@H]1C(=O)Oc1ccc(C#N)cc1 ZINC000192190984 177397598 /nfs/dbraw/zinc/39/75/98/177397598.db2.gz AXKJWXMEBGBCME-MFKMUULPSA-N 0 0 245.278 2.279 10 30 BEEERN C[C@]1(O)CC(=O)C=C(c2ccc(F)cc2)C1 ZINC000040174932 177471545 /nfs/dbraw/zinc/47/15/45/177471545.db2.gz NMJVRPHOYYBJPR-CYBMUJFWSA-N 0 0 220.243 2.323 10 30 BEEERN Cc1c(Cl)nc2c(C#N)cnn2c1Cl ZINC000059627540 177604516 /nfs/dbraw/zinc/60/45/16/177604516.db2.gz NUPZKGITFUDUFX-UHFFFAOYSA-N 0 0 227.054 2.216 10 30 BEEERN Cc1c(N)cc(Br)cc1C#N ZINC000014986131 177610531 /nfs/dbraw/zinc/61/05/31/177610531.db2.gz ZZNAEJYUARNYAX-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN CCCc1nn(CCC(C)C)c(N)c1C#N ZINC000087503601 259044848 /nfs/dbraw/zinc/04/48/48/259044848.db2.gz BPOLOJLJIVYECG-UHFFFAOYSA-N 0 0 220.320 2.336 10 30 BEEERN C[C@@H]1SCC[C@@]1(O)c1ccccc1C#N ZINC000521400542 262779155 /nfs/dbraw/zinc/77/91/55/262779155.db2.gz AHDNYRPVQHLIIC-CABZTGNLSA-N 0 0 219.309 2.271 10 30 BEEERN C[C@H]1CC[C@@H](CO)CN1c1cccc(F)c1C#N ZINC000119403391 487824481 /nfs/dbraw/zinc/82/44/81/487824481.db2.gz ZNRSNEYHOZYAEL-WDEREUQCSA-N 0 0 248.301 2.295 10 30 BEEERN CC(=O)c1ccc(NC(=O)[C@H](C)CC#N)cc1 ZINC000049821619 487921877 /nfs/dbraw/zinc/92/18/77/487921877.db2.gz UDENLCVEACQHQR-SECBINFHSA-N 0 0 230.267 2.377 10 30 BEEERN C=CCC(CC=C)C(=O)N[C@H](C#N)C1CC1 ZINC000132010627 323013850 /nfs/dbraw/zinc/01/38/50/323013850.db2.gz SIQDJVYPGNKUNB-GFCCVEGCSA-N 0 0 218.300 2.173 10 30 BEEERN COCCNc1ccc(C2CC2)cc1C#N ZINC000536952480 323958967 /nfs/dbraw/zinc/95/89/67/323958967.db2.gz CAAIQOORAPORAO-UHFFFAOYSA-N 0 0 216.284 2.494 10 30 BEEERN Cc1cc2c(cc1C)O[C@@](C)(C#N)CO2 ZINC000536955955 323966618 /nfs/dbraw/zinc/96/66/18/323966618.db2.gz UCHQGBCDIDSRIY-LBPRGKRZSA-N 0 0 203.241 2.357 10 30 BEEERN C[C@H]1CC[C@H](C(=O)N(C)c2cccc(C#N)c2)O1 ZINC000128677678 324870648 /nfs/dbraw/zinc/87/06/48/324870648.db2.gz VDDZDRHRUIEEES-GXFFZTMASA-N 0 0 244.294 2.089 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)O1 ZINC000130448956 325053320 /nfs/dbraw/zinc/05/33/20/325053320.db2.gz GCOMFFWVZYADEZ-PELKAZGASA-N 0 0 248.257 2.203 10 30 BEEERN CCOC[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131759553 325182209 /nfs/dbraw/zinc/18/22/09/325182209.db2.gz MWIPLGZFZOQVNU-VIFPVBQESA-N 0 0 249.270 2.303 10 30 BEEERN C=CCC(CC=C)C(=O)N[C@@H](C#N)C1CC1 ZINC000132010449 325194835 /nfs/dbraw/zinc/19/48/35/325194835.db2.gz SIQDJVYPGNKUNB-LBPRGKRZSA-N 0 0 218.300 2.173 10 30 BEEERN C=C[C@@](C)(CC)C(=O)NCc1cccc(OC)n1 ZINC000134997033 325387347 /nfs/dbraw/zinc/38/73/47/325387347.db2.gz JHVKYPXIXXWONW-AWEZNQCLSA-N 0 0 248.326 2.309 10 30 BEEERN CCc1cnccc1C(=O)N(CC)C[C@H](C)C#N ZINC000136479009 325457186 /nfs/dbraw/zinc/45/71/86/325457186.db2.gz DYFMDBYXKBITSH-LLVKDONJSA-N 0 0 245.326 2.266 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1Cc2ccccc21 ZINC000250867793 325670231 /nfs/dbraw/zinc/67/02/31/325670231.db2.gz XAQGBABUWNHAAR-FPMFFAJLSA-N 0 0 240.306 2.135 10 30 BEEERN COc1ccc(COC2CC(C=O)C2)cc1 ZINC000584600214 488018259 /nfs/dbraw/zinc/01/82/59/488018259.db2.gz CGUCXXMKFGQAJU-UHFFFAOYSA-N 0 0 220.268 2.189 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1 ZINC000061889227 488066201 /nfs/dbraw/zinc/06/62/01/488066201.db2.gz JNSQQXSAALXRDN-ZYHUDNBSSA-N 0 0 232.258 2.248 10 30 BEEERN C[C@](O)(C#C[Si](C)(C)C)C(F)(F)F ZINC000201247346 491074228 /nfs/dbraw/zinc/07/42/28/491074228.db2.gz VMUDBYXRQGKKHB-ZETCQYMHSA-N 0 0 210.271 2.181 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@]1(C)c1cccc(F)c1 ZINC000234590882 582461198 /nfs/dbraw/zinc/46/11/98/582461198.db2.gz QHIOWUKNJSWGGC-GHMZBOCLSA-N 0 0 244.649 2.179 10 30 BEEERN C=C[C@@H](C)NC(=S)NCc1cccc(F)c1 ZINC000757135554 582514434 /nfs/dbraw/zinc/51/44/34/582514434.db2.gz VAQYJCYCCYDWCQ-SECBINFHSA-N 0 0 238.331 2.364 10 30 BEEERN Cc1cc(C[C@@](C)(O)C=O)ccc1Cl ZINC000757155893 582539706 /nfs/dbraw/zinc/53/97/06/582539706.db2.gz DNHJSPWMLYLQNX-LLVKDONJSA-N 0 0 212.676 2.141 10 30 BEEERN C[C@H](CC(F)(F)F)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000402541001 533737781 /nfs/dbraw/zinc/73/77/81/533737781.db2.gz BSUFROXKBQPLDQ-HRDYMLBCSA-N 0 0 248.248 2.383 10 30 BEEERN C=CC[C@H](C)NC(=O)N[C@@H]1COc2ccccc21 ZINC000116951534 534337489 /nfs/dbraw/zinc/33/74/89/534337489.db2.gz HRXHZFTUPROGSQ-CMPLNLGQSA-N 0 0 246.310 2.384 10 30 BEEERN C=CC(C)(C)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000336239041 534495406 /nfs/dbraw/zinc/49/54/06/534495406.db2.gz PDRJHDADKGWSCJ-NEPJUHHUSA-N 0 0 237.343 2.369 10 30 BEEERN COc1cc(C(C)(C)C=O)ccc1C#N ZINC000113518243 522174964 /nfs/dbraw/zinc/17/49/64/522174964.db2.gz WHISKDGFPYYLEA-UHFFFAOYSA-N 0 0 203.241 2.043 10 30 BEEERN C=CCCCN(C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000187831881 534703932 /nfs/dbraw/zinc/70/39/32/534703932.db2.gz NKKPVDKKWBNJQI-NEPJUHHUSA-N 0 0 225.332 2.226 10 30 BEEERN C=CCCCN(C)c1cccnc1C#N ZINC000135595504 534713774 /nfs/dbraw/zinc/71/37/74/534713774.db2.gz UCPFVASZDQXGTP-UHFFFAOYSA-N 0 0 201.273 2.356 10 30 BEEERN CC[C@]1([C@H](C)NC(=O)OC(C)(C)C)CO1 ZINC000072207795 523628006 /nfs/dbraw/zinc/62/80/06/523628006.db2.gz BADMUOAKNHPPGE-GZMMTYOYSA-N 0 0 215.293 2.079 10 30 BEEERN C=CC[C@@H](C)NC(=O)c1ccc(COC)o1 ZINC000116861632 534886405 /nfs/dbraw/zinc/88/64/05/534886405.db2.gz FUZQTZKLKVYILS-SECBINFHSA-N 0 0 223.272 2.120 10 30 BEEERN COC(=O)[C@@H]1O[C@]12CCCCC21CCCC1 ZINC000309225205 582901994 /nfs/dbraw/zinc/90/19/94/582901994.db2.gz HKOADQCJJCNHJO-GXFFZTMASA-N 0 0 224.300 2.431 10 30 BEEERN N#CC1(c2ncccc2Br)CC1 ZINC000261508152 526438963 /nfs/dbraw/zinc/43/89/63/526438963.db2.gz QADYZSDMZMKJHT-UHFFFAOYSA-N 0 0 223.073 2.399 10 30 BEEERN NC(/C=C(\Cl)c1ccc(F)cc1F)=N\O ZINC000238853298 526845757 /nfs/dbraw/zinc/84/57/57/526845757.db2.gz IYGMKLLOWIPXFN-UHFFFAOYSA-N 0 0 232.617 2.291 10 30 BEEERN C#C[C@H](CCC)NC(=O)[C@H]1CCC[C@H]1C ZINC000300398019 527372853 /nfs/dbraw/zinc/37/28/53/527372853.db2.gz FGAAWHMNIUXYLO-UTUOFQBUSA-N 0 0 207.317 2.341 10 30 BEEERN C#C[C@H](NC(=O)[C@H]1CCC[C@H]1C)C(C)C ZINC000300847013 527405696 /nfs/dbraw/zinc/40/56/96/527405696.db2.gz DVZMOZJTSROCNP-WOPDTQHZSA-N 0 0 207.317 2.197 10 30 BEEERN CC(C)(C#N)C(=O)N1CCC12CCCCC2 ZINC000365474523 534968172 /nfs/dbraw/zinc/96/81/72/534968172.db2.gz VTXYNGPMOBDHIM-UHFFFAOYSA-N 0 0 220.316 2.471 10 30 BEEERN CC[C@H](CC#N)Nc1nc(C)nc(C)c1F ZINC000310000216 536059492 /nfs/dbraw/zinc/05/94/92/536059492.db2.gz DOIVICLTFXKOTJ-SECBINFHSA-N 0 0 222.267 2.337 10 30 BEEERN Cn1nccc1-c1nn(C2CC2)c(Cl)c1C#N ZINC000725256908 538059814 /nfs/dbraw/zinc/05/98/14/538059814.db2.gz DAZWMQBOJFZYDK-UHFFFAOYSA-N 0 0 247.689 2.144 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)NCCC1=CCCC1 ZINC000332896752 566377635 /nfs/dbraw/zinc/37/76/35/566377635.db2.gz LDJDAMIXZODZRS-CHWSQXEVSA-N 0 0 247.342 2.478 10 30 BEEERN COC(=O)CC1([C@@H]2CO2)C[C@@H](C)C[C@H](C)C1 ZINC000675053739 566415568 /nfs/dbraw/zinc/41/55/68/566415568.db2.gz QMYHXJSHBZJCJA-DCAQKATOSA-N 0 0 226.316 2.391 10 30 BEEERN C=C[C@H](C)N1C(=O)[C@H](c2ccccc2)NC1=S ZINC000757134688 582511982 /nfs/dbraw/zinc/51/19/82/582511982.db2.gz YHSHKBWPSZQCPM-ONGXEEELSA-N 0 0 246.335 2.019 10 30 BEEERN COC[C@H](S)CCCNC(=O)OC(C)(C)C ZINC000757159566 582541039 /nfs/dbraw/zinc/54/10/39/582541039.db2.gz PNVATHJKNAJVNO-SECBINFHSA-N 0 0 249.376 2.236 10 30 BEEERN CC(C)Cc1c(Br)[nH]c(N)c1C#N ZINC000757171483 582551280 /nfs/dbraw/zinc/55/12/80/582551280.db2.gz RNIBEAUUZTWLJN-UHFFFAOYSA-N 0 0 242.120 2.430 10 30 BEEERN C[C@@H]1C[C@H]1c1c(Br)[nH]c(N)c1C#N ZINC000757171678 582551447 /nfs/dbraw/zinc/55/14/47/582551447.db2.gz VDRNAJQQXXCLPJ-RFZPGFLSSA-N 0 0 240.104 2.354 10 30 BEEERN C=CCCO[C@H](C)C(=O)OCCc1cccnc1 ZINC000113665696 588848273 /nfs/dbraw/zinc/84/82/73/588848273.db2.gz ACSZHHDSRISVLO-GFCCVEGCSA-N 0 0 249.310 2.149 10 30 BEEERN C[C@H]1C=C(I)C(=O)CC1 ZINC000217040686 583171358 /nfs/dbraw/zinc/17/13/58/583171358.db2.gz QDQYFPNEGXJLOC-RXMQYKEDSA-N 0 0 236.052 2.304 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)C(C1CC1)C1CC1 ZINC000332733194 583300831 /nfs/dbraw/zinc/30/08/31/583300831.db2.gz ONQUNVVZXSTDCL-VXGBXAGGSA-N 0 0 232.327 2.231 10 30 BEEERN COC(=O)C[C@]1([C@H]2CO2)CCC[C@@H](C)C1 ZINC000675052458 583301643 /nfs/dbraw/zinc/30/16/43/583301643.db2.gz FITYYVDHMHQBLB-FOGDFJRCSA-N 0 0 212.289 2.145 10 30 BEEERN C#CCNC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000021903581 583926293 /nfs/dbraw/zinc/92/62/93/583926293.db2.gz RNDVXEPDMVQIKJ-UHFFFAOYSA-N 0 0 243.306 2.016 10 30 BEEERN CCO[C@@H](C)C(=O)OCC#Cc1ccccc1 ZINC000103651303 586266240 /nfs/dbraw/zinc/26/62/40/586266240.db2.gz XABFRJVCJMBXLV-LBPRGKRZSA-N 0 0 232.279 2.006 10 30 BEEERN CCCc1c(Br)[nH]c(N)c1C#N ZINC000757170441 586433052 /nfs/dbraw/zinc/43/30/52/586433052.db2.gz FNZOHNUCUYNKMF-UHFFFAOYSA-N 0 0 228.093 2.184 10 30 BEEERN Cc1nn(-c2cc(F)cc(F)c2)cc1C#N ZINC000757189853 586435104 /nfs/dbraw/zinc/43/51/04/586435104.db2.gz IPJRPFZFAPWICO-UHFFFAOYSA-N 0 0 219.194 2.331 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)Oc2ccc(C#N)cc2)O1 ZINC000121368117 587410489 /nfs/dbraw/zinc/41/04/89/587410489.db2.gz HZMZECXLSYMPPA-BXKDBHETSA-N 0 0 231.251 2.031 10 30 BEEERN Cc1nc(C)c(C(=O)O[C@@H](C#N)C(C)C)s1 ZINC000121546070 588127877 /nfs/dbraw/zinc/12/78/77/588127877.db2.gz OHGAJHHWVUGPEL-VIFPVBQESA-N 0 0 238.312 2.465 10 30 BEEERN C#CC[C@H](OC(=O)[C@@H]1C[C@H]1C)c1ccccn1 ZINC000105549461 588199711 /nfs/dbraw/zinc/19/97/11/588199711.db2.gz HJETZLNWMGGWBX-WZRBSPASSA-N 0 0 229.279 2.345 10 30 BEEERN Cc1ocnc1C(=O)OCC#Cc1ccccc1 ZINC000105761386 588221684 /nfs/dbraw/zinc/22/16/84/588221684.db2.gz DHHRYOAQOOOQJT-UHFFFAOYSA-N 0 0 241.246 2.192 10 30 BEEERN CCCOCCOC(=O)c1cccc(C#N)c1 ZINC000107414602 588362898 /nfs/dbraw/zinc/36/28/98/588362898.db2.gz TUYUCMKBPFAVPR-UHFFFAOYSA-N 0 0 233.267 2.142 10 30 BEEERN C#CCOC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109153199 588524599 /nfs/dbraw/zinc/52/45/99/588524599.db2.gz FDFGOBNVKWJKLK-UWVGGRQHSA-N 0 0 236.217 2.245 10 30 BEEERN C=CCCC(=O)O[C@@H](CC(C)C)C(=O)OC ZINC000118911397 589203922 /nfs/dbraw/zinc/20/39/22/589203922.db2.gz LOCLLTVNXBVETE-JTQLQIEISA-N 0 0 228.288 2.084 10 30 BEEERN O=C(OCC#Cc1ccccc1)[C@@H]1CCCCO1 ZINC000122085303 589553891 /nfs/dbraw/zinc/55/38/91/589553891.db2.gz FBEZAZOIZQKHJV-AWEZNQCLSA-N 0 0 244.290 2.150 10 30 BEEERN C=C(C)CN(CC)C(=O)N1CCCCC1 ZINC000122311364 589577761 /nfs/dbraw/zinc/57/77/61/589577761.db2.gz OVQWWZCHEQKNES-UHFFFAOYSA-N 0 0 210.321 2.490 10 30 BEEERN C[C@H]1CC[C@H](C(=O)OCC#Cc2ccccc2)O1 ZINC000122631433 589611106 /nfs/dbraw/zinc/61/11/06/589611106.db2.gz YTAVVCSRIYFPEF-GXTWGEPZSA-N 0 0 244.290 2.149 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)OCC#Cc2ccccc2)O1 ZINC000122631854 589611247 /nfs/dbraw/zinc/61/12/47/589611247.db2.gz YTAVVCSRIYFPEF-JSGCOSHPSA-N 0 0 244.290 2.149 10 30 BEEERN CCCC(=O)OCC#Cc1cccc(OC)c1 ZINC000124507197 590035489 /nfs/dbraw/zinc/03/54/89/590035489.db2.gz FLXQFHCDRJIABZ-UHFFFAOYSA-N 0 0 232.279 2.390 10 30 BEEERN CC[C@@H](C)COC(=O)c1cc(C#N)cn1C ZINC000124568322 590058969 /nfs/dbraw/zinc/05/89/69/590058969.db2.gz FJMUHPMNEGFYPL-SECBINFHSA-N 0 0 220.272 2.100 10 30 BEEERN C=CCN(c1ccc([C@@H](C)O)cn1)C1CC1 ZINC000124952234 590103370 /nfs/dbraw/zinc/10/33/70/590103370.db2.gz CZHVKKRYIYLFNT-SNVBAGLBSA-N 0 0 218.300 2.290 10 30 BEEERN C#C[C@@H](C)OC(=O)c1ccc(F)c(OC)c1 ZINC000125313347 590161084 /nfs/dbraw/zinc/16/10/84/590161084.db2.gz FXUAESGMAHOZFN-MRVPVSSYSA-N 0 0 222.215 2.013 10 30 BEEERN C#CCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000125450165 590164908 /nfs/dbraw/zinc/16/49/08/590164908.db2.gz MDQCEPRQOUHKRM-CYBMUJFWSA-N 0 0 246.285 2.136 10 30 BEEERN CC#CCNC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000126536554 590333176 /nfs/dbraw/zinc/33/31/76/590333176.db2.gz CCLGMDUBJOEDEI-ZHACJKMWSA-N 0 0 231.270 2.369 10 30 BEEERN C=CCC[C@H](C)OC(=O)c1ccnn1CC ZINC000127414279 590653315 /nfs/dbraw/zinc/65/33/15/590653315.db2.gz QQYMHDPFSURPLG-JTQLQIEISA-N 0 0 222.288 2.415 10 30 BEEERN C=C[C@H](CC)OC(=O)c1ccnn1CC ZINC000127470445 590678284 /nfs/dbraw/zinc/67/82/84/590678284.db2.gz FLDITVKAWDMICH-SECBINFHSA-N 0 0 208.261 2.024 10 30 BEEERN CC(C)(C)[C@H](C#N)OC(=O)Cc1ccoc1 ZINC000127655986 590742247 /nfs/dbraw/zinc/74/22/47/590742247.db2.gz DGIGDADGZIMVSB-JTQLQIEISA-N 0 0 221.256 2.304 10 30 BEEERN C#C[C@@H](C)OC(=O)c1ccccc1CC ZINC000129840924 591413430 /nfs/dbraw/zinc/41/34/30/591413430.db2.gz GPSKYQOUWXRDNC-SNVBAGLBSA-N 0 0 202.253 2.428 10 30 BEEERN C#C[C@H](C)OC(=O)c1ccc(C#N)cc1C ZINC000129928472 591422662 /nfs/dbraw/zinc/42/26/62/591422662.db2.gz PDSXLXZGYYSABL-JTQLQIEISA-N 0 0 213.236 2.045 10 30 BEEERN C[C@H](OC(=O)[C@@H]1CCCCO1)C(C)(C)C#N ZINC000130544927 591480554 /nfs/dbraw/zinc/48/05/54/591480554.db2.gz OYAIMJMEYMWQMK-UWVGGRQHSA-N 0 0 225.288 2.037 10 30 BEEERN C[C@@H](OC(=O)[C@@H]1CCCCO1)C(C)(C)C#N ZINC000130545157 591480794 /nfs/dbraw/zinc/48/07/94/591480794.db2.gz OYAIMJMEYMWQMK-ZJUUUORDSA-N 0 0 225.288 2.037 10 30 BEEERN C[C@@H](OC(=O)C1=COCCC1)C(C)(C)C#N ZINC000131122036 591556935 /nfs/dbraw/zinc/55/69/35/591556935.db2.gz NECQTNINPVOHCA-SECBINFHSA-N 0 0 223.272 2.162 10 30 BEEERN C[C@H](OC(=O)C[C@H]1CCCCO1)C(C)(C)C#N ZINC000131251621 591578870 /nfs/dbraw/zinc/57/88/70/591578870.db2.gz JBRURDFYBPGZJH-WDEREUQCSA-N 0 0 239.315 2.427 10 30 BEEERN C[C@@H](OC(=O)c1cccn1C)C(C)(C)C#N ZINC000131419190 591607473 /nfs/dbraw/zinc/60/74/73/591607473.db2.gz VZYKOKCONKVDSU-SECBINFHSA-N 0 0 220.272 2.120 10 30 BEEERN CS[C@@H](C)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000131530192 591617720 /nfs/dbraw/zinc/61/77/20/591617720.db2.gz FZMNWFBBVKOPJZ-YUMQZZPRSA-N 0 0 215.318 2.219 10 30 BEEERN C=CCOCCCC(=O)O[C@H](C)C(C)(C)C#N ZINC000131614545 591629839 /nfs/dbraw/zinc/62/98/39/591629839.db2.gz KEKBVBIRRBWEIJ-LLVKDONJSA-N 0 0 239.315 2.451 10 30 BEEERN COC[C@H](OC(=O)c1ccc(C#N)cc1)C1CC1 ZINC000131775499 591654875 /nfs/dbraw/zinc/65/48/75/591654875.db2.gz KACWLSRQMPNICX-ZDUSSCGKSA-N 0 0 245.278 2.140 10 30 BEEERN C[C@H](C#N)NC(=O)CCCSC(C)(C)C ZINC000133313161 591785267 /nfs/dbraw/zinc/78/52/67/591785267.db2.gz SXKUBDKREZDUOL-SECBINFHSA-N 0 0 228.361 2.327 10 30 BEEERN C#C[C@@H](OC(=O)c1noc2c1CCCC2)C1CC1 ZINC000134166141 591897842 /nfs/dbraw/zinc/89/78/42/591897842.db2.gz GLWSJFHUKZJJGJ-LLVKDONJSA-N 0 0 245.278 2.122 10 30 BEEERN C#CCCOC(=O)[C@@H](C)Sc1ccccn1 ZINC000135042873 591979801 /nfs/dbraw/zinc/97/98/01/591979801.db2.gz JMJXLHYACHSCMV-SNVBAGLBSA-N 0 0 235.308 2.129 10 30 BEEERN O=C(/C=C/c1ncc[nH]1)c1cccc(O)c1 ZINC000137278068 592164300 /nfs/dbraw/zinc/16/43/00/592164300.db2.gz TYDQSJIYEFMIBK-SNAWJCMRSA-N 0 0 214.224 2.011 10 30 BEEERN C=C(C)CN(C)c1ccc([C@H](C)O)cn1 ZINC000219323316 592222998 /nfs/dbraw/zinc/22/29/98/592222998.db2.gz FDVWKSSLSUYQLV-JTQLQIEISA-N 0 0 206.289 2.147 10 30 BEEERN C=C(Br)CN1CCC[C@@H](C(C)=O)C1 ZINC000082644511 634461757 /nfs/dbraw/zinc/46/17/57/634461757.db2.gz YUCQQGDDBQQIML-SNVBAGLBSA-N 0 0 246.148 2.196 10 30 BEEERN CCN(CCC#N)CCSC(F)(F)F ZINC000123450361 635513311 /nfs/dbraw/zinc/51/33/11/635513311.db2.gz PXZWHUGVHYLRCR-UHFFFAOYSA-N 0 0 226.267 2.475 10 30 BEEERN CCN(C[C@H](C)C#N)C[C@](C)(O)c1ccccc1 ZINC000052097302 632072214 /nfs/dbraw/zinc/07/22/14/632072214.db2.gz KWSFECNBWCJJNB-HIFRSBDPSA-N 0 0 246.354 2.376 10 30 BEEERN C#CCOCCC(=O)O[C@@H](C)c1cccs1 ZINC000179393607 632706646 /nfs/dbraw/zinc/70/66/46/632706646.db2.gz SSLQTVCQSHTEBC-JTQLQIEISA-N 0 0 238.308 2.392 10 30 BEEERN C#CC[C@H](OC(=O)[C@@H]1CC[C@H](C)O1)C(C)C ZINC000177728796 632868467 /nfs/dbraw/zinc/86/84/67/632868467.db2.gz IPAARAJTYFZYPQ-SRVKXCTJSA-N 0 0 224.300 2.145 10 30 BEEERN C=C(Br)COC(=O)[C@@H]1CC[C@H](C)O1 ZINC000178215140 633032931 /nfs/dbraw/zinc/03/29/31/633032931.db2.gz ATLSLSLBAAOLSU-YUMQZZPRSA-N 0 0 249.104 2.006 10 30 BEEERN C#CCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000029325081 636272073 /nfs/dbraw/zinc/27/20/73/636272073.db2.gz HYPVOCLVAGYFGB-IUCAKERBSA-N 0 0 248.248 2.040 10 30 BEEERN CCCN(C(=O)OC)c1snc(C)c1C#N ZINC000669371645 636546740 /nfs/dbraw/zinc/54/67/40/636546740.db2.gz NAXXJRSORPZKLX-UHFFFAOYSA-N 0 0 239.300 2.306 10 30 BEEERN C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000179229647 636763645 /nfs/dbraw/zinc/76/36/45/636763645.db2.gz ZKKXWMYRYGDBJU-VXGBXAGGSA-N 0 0 225.332 2.010 10 30 BEEERN CCOC(=O)c1ccccc1SCC#N ZINC000034569365 637088006 /nfs/dbraw/zinc/08/80/06/637088006.db2.gz ZFCRHLQIVYIWOF-UHFFFAOYSA-N 0 0 221.281 2.479 10 30 BEEERN CC(O)=CC(=O)c1ccc(N(C)C)cc1 ZINC000221979122 640441156 /nfs/dbraw/zinc/44/11/56/640441156.db2.gz KMNHERNTPKCKKU-XYOKQWHBSA-N 0 0 205.257 2.241 10 30 BEEERN C#CCN(CC#C)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000075399381 640652126 /nfs/dbraw/zinc/65/21/26/640652126.db2.gz RWCLHXBITWWOBN-LSDHHAIUSA-N 0 0 243.350 2.298 10 30 BEEERN C#CCOC(=O)CCC(=O)c1ccc(CC)cc1 ZINC000058823999 640748406 /nfs/dbraw/zinc/74/84/06/640748406.db2.gz OQXKXYJOTVDHPX-UHFFFAOYSA-N 0 0 244.290 2.388 10 30 BEEERN N#CC1CCN(c2csc(C=O)c2)CC1 ZINC000675064563 640963852 /nfs/dbraw/zinc/96/38/52/640963852.db2.gz NOZGSEMAWMEYMP-UHFFFAOYSA-N 0 0 220.297 2.301 10 30 BEEERN CCCCCCCCOC(=O)[C@@H]1CNC(=O)C1 ZINC000171483438 640979399 /nfs/dbraw/zinc/97/93/99/640979399.db2.gz SPUAEXWXTHUKCC-NSHDSACASA-N 0 0 241.331 2.026 10 30 BEEERN C=C(Cl)CNC(=O)[C@H]1CCC[C@@H]1C ZINC000230166870 641032444 /nfs/dbraw/zinc/03/24/44/641032444.db2.gz SNDRZHVFRZKMNW-CBAPKCEASA-N 0 0 201.697 2.291 10 30 BEEERN COC1CC(Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000230599448 641072075 /nfs/dbraw/zinc/07/20/75/641072075.db2.gz CCMUIIBQNOXAMZ-UHFFFAOYSA-N 0 0 247.254 2.056 10 30 BEEERN C#Cc1cccc(N(C)C(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000152321780 641558104 /nfs/dbraw/zinc/55/81/04/641558104.db2.gz KSBNKKJLJRYNPF-SMDDNHRTSA-N 0 0 243.306 2.198 10 30 BEEERN C=C(C)CNC(=S)N[C@@H](C)C(C)C ZINC000308145337 642430967 /nfs/dbraw/zinc/43/09/67/642430967.db2.gz LKQTXIBXOSLHGV-VIFPVBQESA-N 0 0 200.351 2.071 10 30 BEEERN C=C(C)CNC(=S)N[C@H](C)C(C)C ZINC000308145336 642457636 /nfs/dbraw/zinc/45/76/36/642457636.db2.gz LKQTXIBXOSLHGV-SECBINFHSA-N 0 0 200.351 2.071 10 30 BEEERN CC[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1C#N ZINC000233949517 642711791 /nfs/dbraw/zinc/71/17/91/642711791.db2.gz HADTUSCRPOLKAP-AAEUAGOBSA-N 0 0 244.294 2.312 10 30 BEEERN C=CCc1ccccc1OC(=O)[C@H](C)OC ZINC000120234761 643134965 /nfs/dbraw/zinc/13/49/65/643134965.db2.gz ZBVMTTHGRQSCDT-JTQLQIEISA-N 0 0 220.268 2.355 10 30 BEEERN C=C[C@H](C)N1C(=O)[C@@H](c2ccccc2)NC1=S ZINC000757136031 643277432 /nfs/dbraw/zinc/27/74/32/643277432.db2.gz YHSHKBWPSZQCPM-GXSJLCMTSA-N 0 0 246.335 2.019 10 30 BEEERN O=C(OCc1ccccc1)N1CCC(=NO)CC1 ZINC000197918110 643636394 /nfs/dbraw/zinc/63/63/94/643636394.db2.gz QLPDVNXXKAOJQM-UHFFFAOYSA-N 0 0 248.282 2.249 10 30 BEEERN CC(C)[C@@H](C)NC(=O)c1ccccc1OCC#N ZINC000194090899 644300189 /nfs/dbraw/zinc/30/01/89/644300189.db2.gz GIHUGKPBRGAINY-LLVKDONJSA-N 0 0 246.310 2.363 10 30 BEEERN CCC1CC(=O)C(=CN[C@@H](C)C(C)C)C(=O)C1 ZINC000194960852 644355342 /nfs/dbraw/zinc/35/53/42/644355342.db2.gz DREODVUVIXWMHN-VUWPPUDQSA-N 0 0 237.343 2.463 10 30 BEEERN C#CC[C@H](OC(=O)[C@H]1C[C@H]1C1CC1)C1CC1 ZINC000246218999 644574386 /nfs/dbraw/zinc/57/43/86/644574386.db2.gz ZHSFFZAIDXHFQZ-AVGNSLFASA-N 0 0 218.296 2.378 10 30 BEEERN N#C[C@H](C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000250256234 644752124 /nfs/dbraw/zinc/75/21/24/644752124.db2.gz TZFDWIPXWRPFAH-USZNOCQGSA-N 0 0 226.279 2.304 10 30 BEEERN Cc1nc(C)c(C(=O)O[C@H](C#N)C(C)C)s1 ZINC000121546178 645304263 /nfs/dbraw/zinc/30/42/63/645304263.db2.gz OHGAJHHWVUGPEL-SECBINFHSA-N 0 0 238.312 2.465 10 30 BEEERN CCCCCCCCC(=O)[C@@H](C#N)C(=O)NC ZINC000133373263 710970289 /nfs/dbraw/zinc/97/02/89/710970289.db2.gz ZWSORWZDHUUWDH-LLVKDONJSA-N 0 0 238.331 2.192 10 30 BEEERN C#CCN(C(=O)[C@H]1CCO[C@@H]1CC)C(C)(C)C ZINC000723027302 711495722 /nfs/dbraw/zinc/49/57/22/711495722.db2.gz IABBTCYHTIXQHW-NWDGAFQWSA-N 0 0 237.343 2.062 10 30 BEEERN COCC1CC(Nc2nccc(C)c2C#N)C1 ZINC000714006881 712477138 /nfs/dbraw/zinc/47/71/38/712477138.db2.gz JDFVUTVHDPMTGC-UHFFFAOYSA-N 0 0 231.299 2.099 10 30 BEEERN CC[C@H](C#N)NC(=O)c1cc(Cl)ccc1O ZINC000040350814 1165816831 /nfs/dbraw/zinc/81/68/31/1165816831.db2.gz PZDQEHDVXUOBLW-MRVPVSSYSA-N 0 0 238.674 2.078 10 30 BEEERN C#C[C@@H](OC(=O)/C=C\c1ncccc1C)C1CC1 ZINC000588456761 958589070 /nfs/dbraw/zinc/58/90/70/958589070.db2.gz XEZLCTGRIRJABP-QIAWRQBBSA-N 0 0 241.290 2.358 10 30 BEEERN C=C[C@@H](C)OC(=O)/C=C\c1cccnc1 ZINC000588539969 959012766 /nfs/dbraw/zinc/01/27/66/959012766.db2.gz PTNGZVUQBHOYHR-JYESYGNLSA-N 0 0 203.241 2.213 10 30 BEEERN C=C[C@H](C)OC(=O)/C=C\c1cccnc1 ZINC000588539964 959012896 /nfs/dbraw/zinc/01/28/96/959012896.db2.gz PTNGZVUQBHOYHR-GFVADAIESA-N 0 0 203.241 2.213 10 30 BEEERN C#CC[C@@H](OC(=O)/C=C\c1ccncn1)C(C)C ZINC000588539563 959015408 /nfs/dbraw/zinc/01/54/08/959015408.db2.gz LRUIUWXGBWFVJH-FMFIFOJESA-N 0 0 244.294 2.081 10 30 BEEERN CC[C@H](CC#N)OC(=O)/C=C\c1cncc(F)c1 ZINC000588557986 959170738 /nfs/dbraw/zinc/17/07/38/959170738.db2.gz FKCPVDVXHLBNOR-VSQXVHSFSA-N 0 0 248.257 2.469 10 30 BEEERN O=C(/C=C\c1cocn1)c1cccc(O)c1 ZINC000588579080 959338585 /nfs/dbraw/zinc/33/85/85/959338585.db2.gz FXPFZPOESBGYFW-PLNGDYQASA-N 0 0 215.208 2.276 10 30 BEEERN C#CC[N@H+](Cc1ccccc1C(=O)[O-])C(C)C ZINC000688813458 976193088 /nfs/dbraw/zinc/19/30/88/976193088.db2.gz KAFTUHRMWHGVJP-UHFFFAOYSA-N 0 0 231.295 2.228 10 30 BEEERN C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)[O-] ZINC000692239699 976407847 /nfs/dbraw/zinc/40/78/47/976407847.db2.gz MXCUDXINSFQJAP-QWRGUYRKSA-N 0 0 211.305 2.186 10 30 BEEERN C#C[C@H]1CCC[N@@H+]([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000692336363 976423631 /nfs/dbraw/zinc/42/36/31/976423631.db2.gz ODAGCQSYKSFQDZ-MNOVXSKESA-N 0 0 247.294 2.384 10 30 BEEERN CCC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C(=O)[O-] ZINC000695730241 976803241 /nfs/dbraw/zinc/80/32/41/976803241.db2.gz REPCNCLASQIRNK-NXEZZACHSA-N 0 0 226.320 2.158 10 30 BEEERN CC[N@H+](CCC(=O)[O-])Cc1ccc(C)c(C#N)c1 ZINC000701821781 977043013 /nfs/dbraw/zinc/04/30/13/977043013.db2.gz BGFQOTONKOICFP-UHFFFAOYSA-N 0 0 246.310 2.163 10 30 BEEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708822791 977445920 /nfs/dbraw/zinc/44/59/20/977445920.db2.gz POMGMLVBATWZBI-NEPJUHHUSA-N 0 0 223.316 2.138 10 30 BEEERN CC(C)(C)OC(=O)C#C[C@H]1CSCCS1 ZINC000685953737 538898847 /nfs/dbraw/zinc/89/88/47/538898847.db2.gz PIWMVLDYBXEDGO-VIFPVBQESA-N 0 0 244.381 2.180 10 30 BEEERN Cc1c[nH]cc1C#CC(=O)OC(C)(C)C ZINC000685954116 538899406 /nfs/dbraw/zinc/89/94/06/538899406.db2.gz SFWFGAKYSXZWSM-UHFFFAOYSA-N 0 0 205.257 2.016 10 30 BEEERN C=C(C)CCOCC(F)(F)CNCC ZINC000685956842 538901141 /nfs/dbraw/zinc/90/11/41/538901141.db2.gz HKKNBHKYEPBVPF-UHFFFAOYSA-N 0 0 207.264 2.214 10 30 BEEERN N#CCCN(CC#Cc1ccccc1)CCC#N ZINC000033380043 136208802 /nfs/dbraw/zinc/20/88/02/136208802.db2.gz DXMIJUHVYAIHTH-UHFFFAOYSA-N 0 0 237.306 2.167 10 30 BEEERN C=CCCCOCC(F)(F)CNCC ZINC000685957547 538905070 /nfs/dbraw/zinc/90/50/70/538905070.db2.gz UVZVNQOZLZVYFL-UHFFFAOYSA-N 0 0 207.264 2.214 10 30 BEEERN CCN(CC#N)Cc1ncc(C)c(OC)c1C ZINC000045060576 136209410 /nfs/dbraw/zinc/20/94/10/136209410.db2.gz AZDVLSHDMQKACN-UHFFFAOYSA-N 0 0 233.315 2.053 10 30 BEEERN CCCC(=O)C(=N)[C@@H](C)OCc1ccccc1 ZINC000685958776 538906398 /nfs/dbraw/zinc/90/63/98/538906398.db2.gz AFGNOPHHOLHNCD-RIEIZIRISA-N 0 0 233.311 2.064 10 30 BEEERN C/C=C/C(=O)CNC(=O)OCc1ccccc1 ZINC000685959414 538906781 /nfs/dbraw/zinc/90/67/81/538906781.db2.gz VNORGBBTDSESAN-QHHAFSJGSA-N 0 0 233.267 2.058 10 30 BEEERN CC(C)C(=O)C(=N)[C@H](C)OCc1ccccc1 ZINC000685962014 538909292 /nfs/dbraw/zinc/90/92/92/538909292.db2.gz QZBXCDZITDBXPL-WCQYABFASA-N 0 0 233.311 2.064 10 30 BEEERN C#Cc1nc2c(cccc2F)n1C1CC1 ZINC000685963699 538910626 /nfs/dbraw/zinc/91/06/26/538910626.db2.gz CFXPZVVPXCEAPY-UHFFFAOYSA-N 0 0 200.216 2.492 10 30 BEEERN Cc1cc(CNC[C@H](C)C#N)cc(C)c1O ZINC000054180489 178024579 /nfs/dbraw/zinc/02/45/79/178024579.db2.gz NWNGTKFHHQZFDS-SECBINFHSA-N 0 0 218.300 2.258 10 30 BEEERN CC#CCNC(=S)Nc1ccsc1 ZINC000307566273 398175441 /nfs/dbraw/zinc/17/54/41/398175441.db2.gz CSGRDEDLGHKTRZ-UHFFFAOYSA-N 0 0 210.327 2.058 10 30 BEEERN C#CC[C@H](O)c1ccc(N)c(Br)c1 ZINC000575517340 398177150 /nfs/dbraw/zinc/17/71/50/398177150.db2.gz MMIBEAPBKJRRFZ-JTQLQIEISA-N 0 0 240.100 2.088 10 30 BEEERN Cc1cc(Cl)c2c(c1O)C(=O)C=CC2=O ZINC000028871733 178061695 /nfs/dbraw/zinc/06/16/95/178061695.db2.gz OHWBXTRBALBLEK-UHFFFAOYSA-N 0 0 222.627 2.289 10 30 BEEERN C=C(Br)CN1CCC[C@H]2COC[C@H]21 ZINC000306788316 398199792 /nfs/dbraw/zinc/19/97/92/398199792.db2.gz RRSCZPLXPRYBDX-VHSXEESVSA-N 0 0 246.148 2.006 10 30 BEEERN CSCCC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000116804601 136219337 /nfs/dbraw/zinc/21/93/37/136219337.db2.gz HITWYJFPZQRKAL-PWSUYJOCSA-N 0 0 240.372 2.328 10 30 BEEERN N#Cc1c(N)cc(F)cc1C(F)(F)F ZINC000306825578 398213990 /nfs/dbraw/zinc/21/39/90/398213990.db2.gz YENUDESZKAXRRN-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN C[C@H]1[C@H](O)CCCN1Cc1cccc(C#N)c1F ZINC000335595626 398214100 /nfs/dbraw/zinc/21/41/00/398214100.db2.gz FNZGGAUAOKMZOB-GXFFZTMASA-N 0 0 248.301 2.043 10 30 BEEERN Cc1cc(NC(=O)[C@H](C#N)c2ccccc2)on1 ZINC000061613967 178146382 /nfs/dbraw/zinc/14/63/82/178146382.db2.gz MIWPDYXZVOVIQE-LLVKDONJSA-N 0 0 241.250 2.229 10 30 BEEERN C[C@@H]1CC[C@@H](CO)CN1c1cccc(F)c1C#N ZINC000119403301 398212134 /nfs/dbraw/zinc/21/21/34/398212134.db2.gz ZNRSNEYHOZYAEL-GHMZBOCLSA-N 0 0 248.301 2.295 10 30 BEEERN Cc1cc(N[C@@H]2CCO[C@H]2C)c(C#N)c(C)n1 ZINC000149793744 178182035 /nfs/dbraw/zinc/18/20/35/178182035.db2.gz LMPANHTUJQFCRN-CMPLNLGQSA-N 0 0 231.299 2.159 10 30 BEEERN Cc1cc(N[C@H]2CCO[C@@H]2C)c(C#N)c(C)n1 ZINC000149793507 178190085 /nfs/dbraw/zinc/19/00/85/178190085.db2.gz LMPANHTUJQFCRN-PWSUYJOCSA-N 0 0 231.299 2.159 10 30 BEEERN C=C[C@H](O)C#CC#C[C@H](O)/C=C\CCCCC ZINC000014638889 259302594 /nfs/dbraw/zinc/30/25/94/259302594.db2.gz KZRIUXSFFOWKRO-USJBSMOHSA-N 0 0 232.323 2.038 10 30 BEEERN Cc1nn(C)c(Oc2ccc(N)c(C)c2)c1C#N ZINC000104326876 178214825 /nfs/dbraw/zinc/21/48/25/178214825.db2.gz AWGVVVSDPSHSKR-UHFFFAOYSA-N 0 0 242.282 2.283 10 30 BEEERN Cc1cc(Oc2ccccc2)nc(C#N)n1 ZINC000000857324 178215993 /nfs/dbraw/zinc/21/59/93/178215993.db2.gz HCUALQHJKDATOD-UHFFFAOYSA-N 0 0 211.224 2.449 10 30 BEEERN Cc1cc(=S)n(-c2ccc(C#N)cc2)[nH]1 ZINC000052305259 178218234 /nfs/dbraw/zinc/21/82/34/178218234.db2.gz LZMAJWIUGVJMDN-UHFFFAOYSA-N 0 0 215.281 2.341 10 30 BEEERN Cc1cc([N+](=O)[O-])cnc1N(CCC#N)C(C)C ZINC000052812123 178273877 /nfs/dbraw/zinc/27/38/77/178273877.db2.gz NLTIELSJYLGTSR-UHFFFAOYSA-N 0 0 248.286 2.427 10 30 BEEERN Cc1cc2c(C)[nH]c(=O)nc2c(C#N)c1C ZINC000027867617 178277957 /nfs/dbraw/zinc/27/79/57/178277957.db2.gz OHWQQZBGPFSOSC-UHFFFAOYSA-N 0 0 213.240 2.132 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@]1(C)CC1CC1 ZINC000229762666 538941165 /nfs/dbraw/zinc/94/11/65/538941165.db2.gz AIAVEMCNZFYCPL-NEPJUHHUSA-N 0 0 212.289 2.287 10 30 BEEERN COC(=O)[C@@]1(C(C)C)O[C@]1(C)CC1CC1 ZINC000229762723 538941374 /nfs/dbraw/zinc/94/13/74/538941374.db2.gz BJCILJXXQAKPLC-VXGBXAGGSA-N 0 0 212.289 2.143 10 30 BEEERN C#C[C@H](C)Oc1nnc(Cl)c(C)c1C ZINC000235538193 343994971 /nfs/dbraw/zinc/99/49/71/343994971.db2.gz PREMNODJQRLGJU-LURJTMIESA-N 0 0 210.664 2.147 10 30 BEEERN Cc1ccc(/N=C2/NC(=O)[C@@H](C)S2)cc1 ZINC000011637999 178359648 /nfs/dbraw/zinc/35/96/48/178359648.db2.gz CYBQEJGFLINQRZ-MRVPVSSYSA-N 0 0 220.297 2.234 10 30 BEEERN Cc1ccc(C#N)cc1N[C@H](C)C(=O)NC(C)C ZINC000050430332 178367188 /nfs/dbraw/zinc/36/71/88/178367188.db2.gz IVJCPCUQRKXHQX-LLVKDONJSA-N 0 0 245.326 2.192 10 30 BEEERN Cc1ccc(/C(N)=N/O)c(N(C)[C@H](C)C2CC2)c1 ZINC000051578959 178351680 /nfs/dbraw/zinc/35/16/80/178351680.db2.gz FRUSRARJKRNOLF-SNVBAGLBSA-N 0 0 247.342 2.324 10 30 BEEERN Cc1ccc(C(=O)N2CCC(=NO)CC2)c(C)c1 ZINC000019510750 178383837 /nfs/dbraw/zinc/38/38/37/178383837.db2.gz DJADRPXUBAEYJD-UHFFFAOYSA-N 0 0 246.310 2.370 10 30 BEEERN C=CC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000140425357 538952057 /nfs/dbraw/zinc/95/20/57/538952057.db2.gz SAOQCBPORGPRBG-SECBINFHSA-N 0 0 225.288 2.141 10 30 BEEERN CCC(CC)N(CCO)c1ccc(N)cc1C#N ZINC000042501447 168374123 /nfs/dbraw/zinc/37/41/23/168374123.db2.gz LUNUBOALDSYJIU-UHFFFAOYSA-N 0 0 247.342 2.128 10 30 BEEERN Cc1ccc(C(=O)N2CCC[C@H]2C#N)cc1 ZINC000057497086 178391146 /nfs/dbraw/zinc/39/11/46/178391146.db2.gz VRDPYLAXRCVVTM-LBPRGKRZSA-N 0 0 214.268 2.123 10 30 BEEERN C=CCCC(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000405516396 538959997 /nfs/dbraw/zinc/95/99/97/538959997.db2.gz SBRKMDNEMYUFAD-UHFFFAOYSA-N 0 0 239.315 2.389 10 30 BEEERN C=CC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406063095 538962951 /nfs/dbraw/zinc/96/29/51/538962951.db2.gz LNWMZHYPMNNRKL-LLVKDONJSA-N 0 0 239.315 2.435 10 30 BEEERN C=CC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406053959 538963083 /nfs/dbraw/zinc/96/30/83/538963083.db2.gz FVPIHTUNQOXFBP-VHSXEESVSA-N 0 0 239.315 2.435 10 30 BEEERN C=CC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000406080715 538963243 /nfs/dbraw/zinc/96/32/43/538963243.db2.gz WPFYSRCOAMQULN-JTQLQIEISA-N 0 0 225.288 2.045 10 30 BEEERN C=CCCC[C@H](C)NC(=O)[C@H](C)COC ZINC000182583310 538963676 /nfs/dbraw/zinc/96/36/76/538963676.db2.gz VNLOHYVGYASUQX-MNOVXSKESA-N 0 0 213.321 2.130 10 30 BEEERN C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000405946851 538962031 /nfs/dbraw/zinc/96/20/31/538962031.db2.gz YKLJAIAHALECTL-JTQLQIEISA-N 0 0 239.315 2.435 10 30 BEEERN C#CC(C)(C)c1cccc(C(=O)OC)c1 ZINC000118268970 342713480 /nfs/dbraw/zinc/71/34/80/342713480.db2.gz GFIRLUNTIMLDNR-UHFFFAOYSA-N 0 0 202.253 2.384 10 30 BEEERN O=C1C=C(N2CCCCC2)c2ccccc2C1=O ZINC000004610834 342749633 /nfs/dbraw/zinc/74/96/33/342749633.db2.gz CJXORYYEEAJZSR-UHFFFAOYSA-N 0 0 241.290 2.279 10 30 BEEERN CCCCC[C@@H]1CC(=O)CC(O)=C1C(=O)OC ZINC000003944870 342739778 /nfs/dbraw/zinc/73/97/78/342739778.db2.gz FETWVVHGLAIOOR-BXKDBHETSA-N 0 0 240.299 2.387 10 30 BEEERN C#CCSc1nc(C(C)(C)C)nn1CC=C ZINC000148431553 342791185 /nfs/dbraw/zinc/79/11/85/342791185.db2.gz URNMSSPCTMKGEV-UHFFFAOYSA-N 0 0 235.356 2.487 10 30 BEEERN COC(=O)[C@H](C)/N=C/c1ccc(Cl)cc1 ZINC000038327437 342792655 /nfs/dbraw/zinc/79/26/55/342792655.db2.gz JFPSYQWUAXPYHH-MTDSNMTDSA-N 0 0 225.675 2.320 10 30 BEEERN O=C(OCC#CBr)c1ccccc1 ZINC000149469687 342793840 /nfs/dbraw/zinc/79/38/40/342793840.db2.gz CMDQOVFNORIAJL-UHFFFAOYSA-N 0 0 239.068 2.199 10 30 BEEERN C=C[C@@H](NN)c1ccc(Br)cc1 ZINC000097481288 342805437 /nfs/dbraw/zinc/80/54/37/342805437.db2.gz ZCIZBPSHOQYGSX-SECBINFHSA-N 0 0 227.105 2.140 10 30 BEEERN Cn1ccc2nc(C#N)c(Br)cc21 ZINC000216538905 342835097 /nfs/dbraw/zinc/83/50/97/342835097.db2.gz DLFHMKHLDKMCIR-UHFFFAOYSA-N 0 0 236.072 2.207 10 30 BEEERN CO[C@@H]1CCC[C@@H](Nc2ncccc2C#N)C1 ZINC000301796493 398291149 /nfs/dbraw/zinc/29/11/49/398291149.db2.gz ULOPDZOSYISUAL-VXGBXAGGSA-N 0 0 231.299 2.323 10 30 BEEERN Brc1cccc(C[C@H]2CO2)c1 ZINC000196283217 539011500 /nfs/dbraw/zinc/01/15/00/539011500.db2.gz RTDGHXBKWPLEKB-VIFPVBQESA-N 0 0 213.074 2.390 10 30 BEEERN C#C[C@H](NN)c1ccc(Cl)cc1Cl ZINC000097748865 342835972 /nfs/dbraw/zinc/83/59/72/342835972.db2.gz NSDQXKCVZSEJJT-VIFPVBQESA-N 0 0 215.083 2.131 10 30 BEEERN C=C[C@H](C)n1cc(Cl)c([N+](=O)[O-])n1 ZINC000069760058 342839559 /nfs/dbraw/zinc/83/95/59/342839559.db2.gz VYUHVWOIYGNEFJ-YFKPBYRVSA-N 0 0 201.613 2.192 10 30 BEEERN CCCCCCC[C@@H](C)S(N)(=O)=O ZINC000106470476 539017038 /nfs/dbraw/zinc/01/70/38/539017038.db2.gz LHLJSLKNADWTDR-SECBINFHSA-N 0 0 207.339 2.024 10 30 BEEERN C/C=C\C(=O)c1ccccc1C(=O)OC ZINC000308796560 342871615 /nfs/dbraw/zinc/87/16/15/342871615.db2.gz HPQILADQXMBUHL-UTCJRWHESA-N 0 0 204.225 2.232 10 30 BEEERN CCN(C[C@@H](C)C#N)C(=O)CCCSC ZINC000134623378 342873109 /nfs/dbraw/zinc/87/31/09/342873109.db2.gz KLFOLRIVUBPQNU-JTQLQIEISA-N 0 0 228.361 2.138 10 30 BEEERN N#Cc1ccc(N[C@H]2CCC[C@H](O)C2)c(F)c1 ZINC000608778862 342898216 /nfs/dbraw/zinc/89/82/16/342898216.db2.gz PPKUAGXPZBURNO-QWRGUYRKSA-N 0 0 234.274 2.413 10 30 BEEERN C[C@H](C#N)CN[C@@H]1CCc2ccccc21 ZINC000035180684 342885248 /nfs/dbraw/zinc/88/52/48/342885248.db2.gz QLEQHHDUHFVTMC-ZWNOBZJWSA-N 0 0 200.285 2.423 10 30 BEEERN O=C1C=C(NCC=C(Cl)Cl)CC1 ZINC000407119123 342893501 /nfs/dbraw/zinc/89/35/01/342893501.db2.gz PBVOZVLFPGVPSW-UHFFFAOYSA-N 0 0 206.072 2.142 10 30 BEEERN N#C[C@H]1CNc2cccc(Br)c2O1 ZINC000134006733 398328575 /nfs/dbraw/zinc/32/85/75/398328575.db2.gz URCOPXBYAQXFNG-LURJTMIESA-N 0 0 239.072 2.146 10 30 BEEERN N#Cc1cc(C#N)c(C2CC2)nc1Cl ZINC000575433833 398327771 /nfs/dbraw/zinc/32/77/71/398327771.db2.gz NBZCEHKVGYERSU-UHFFFAOYSA-N 0 0 203.632 2.356 10 30 BEEERN Nc1ncc(C#Cc2ccccc2)cc1F ZINC000116753303 342936757 /nfs/dbraw/zinc/93/67/57/342936757.db2.gz DZYCPLDAZJZYCF-UHFFFAOYSA-N 0 0 212.227 2.203 10 30 BEEERN CC(C)(C)NC(=O)O[C@@H](C=O)Cc1ccccc1 ZINC000113732541 398333211 /nfs/dbraw/zinc/33/32/11/398333211.db2.gz ZLRPMCQPNGAZHA-GFCCVEGCSA-N 0 0 249.310 2.321 10 30 BEEERN C=C(CCc1ccc(C(=O)OC)cc1)C(=O)OC ZINC000138653691 342981951 /nfs/dbraw/zinc/98/19/51/342981951.db2.gz AOYCLUYGPYBIQF-UHFFFAOYSA-N 0 0 248.278 2.135 10 30 BEEERN CC(=O)O[C@@H](C#N)c1ccc(Cl)cc1 ZINC000036438850 343000036 /nfs/dbraw/zinc/00/00/36/343000036.db2.gz YIGZZEDCGUBLFW-JTQLQIEISA-N 0 0 209.632 2.468 10 30 BEEERN C=CC[C@H](C)OCC(OCC)OCC ZINC000117576361 343007379 /nfs/dbraw/zinc/00/73/79/343007379.db2.gz QUGKFMNFPXZDQA-JTQLQIEISA-N 0 0 202.294 2.367 10 30 BEEERN C(#Cc1ccc2cnnn2c1)c1ccccc1 ZINC000117726934 343013704 /nfs/dbraw/zinc/01/37/04/343013704.db2.gz AFEVBVRCZOWJJF-UHFFFAOYSA-N 0 0 219.247 2.129 10 30 BEEERN N#Cc1ccnc(-n2ccc(C(F)(F)F)n2)c1 ZINC000043298545 343040408 /nfs/dbraw/zinc/04/04/08/343040408.db2.gz AFPXAXCSFBZUOR-UHFFFAOYSA-N 0 0 238.172 2.158 10 30 BEEERN N#C[C@H](NC(=O)C[C@@H]1CCCCNC1=O)C1CC1 ZINC000329800350 136263115 /nfs/dbraw/zinc/26/31/15/136263115.db2.gz IKYLZRFABWIXJW-QWRGUYRKSA-N 0 0 249.314 2.392 10 30 BEEERN C[C@](O)(c1ccc(C#N)cc1)C(F)(F)F ZINC000043368046 343058244 /nfs/dbraw/zinc/05/82/44/343058244.db2.gz OFRWBUUAGKRPKO-VIFPVBQESA-N 0 0 215.174 2.328 10 30 BEEERN N#Cc1ccc(Oc2cccc(CO)c2)nc1 ZINC000043475607 343086830 /nfs/dbraw/zinc/08/68/30/343086830.db2.gz MYDHRVUZZPOITB-UHFFFAOYSA-N 0 0 226.235 2.238 10 30 BEEERN CCn1cc(C#N)c(=O)c2cc(F)ccc21 ZINC000072237013 343087967 /nfs/dbraw/zinc/08/79/67/343087967.db2.gz NJXLZPPNJLEVGX-UHFFFAOYSA-N 0 0 216.215 2.032 10 30 BEEERN CC(C)C1=Cc2ccccc2C(=O)C1=O ZINC000013821901 343105256 /nfs/dbraw/zinc/10/52/56/343105256.db2.gz KGCDZSGUSQQVKL-UHFFFAOYSA-N 0 0 200.237 2.491 10 30 in-vivo BEEERN CC[C@@H](C#N)Oc1cccc(F)c1C#N ZINC000043557333 343142625 /nfs/dbraw/zinc/14/26/25/343142625.db2.gz DZFILZPUAOQXTG-QMMMGPOBSA-N 0 0 204.204 2.378 10 30 BEEERN CCSCCN(CCC#N)C(C)C ZINC000126264588 343169815 /nfs/dbraw/zinc/16/98/15/343169815.db2.gz PDOXBUFYMUTUHC-UHFFFAOYSA-N 0 0 200.351 2.364 10 30 BEEERN CN/N=C(/C)c1cc([N+](=O)[O-])ccc1Cl ZINC000033374112 343252537 /nfs/dbraw/zinc/25/25/37/343252537.db2.gz JVXRWEKGPXHFAP-SDQBBNPISA-N 0 0 227.651 2.192 10 30 BEEERN CCOc1ccc(C(=O)C[C@H](C)C=O)cc1 ZINC000039098839 343383112 /nfs/dbraw/zinc/38/31/12/343383112.db2.gz IIVULKURJOPTPO-JTQLQIEISA-N 0 0 220.268 2.493 10 30 BEEERN CC(C)n1cccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000335737426 136350997 /nfs/dbraw/zinc/35/09/97/136350997.db2.gz DUZIJLFUWAULJB-NWDGAFQWSA-N 0 0 245.326 2.491 10 30 BEEERN Cc1cc(C(C)C)n2ncc(C#N)c2n1 ZINC000712106668 537785061 /nfs/dbraw/zinc/78/50/61/537785061.db2.gz SXYBNOFVCZRXCT-UHFFFAOYSA-N 0 0 200.245 2.033 10 30 BEEERN COc1ccc([C@@H](O)C(C)(C)C#N)cc1 ZINC000085883700 343607569 /nfs/dbraw/zinc/60/75/69/343607569.db2.gz SDNIUZBGOOSFSP-LLVKDONJSA-N 0 0 205.257 2.278 10 30 BEEERN Cc1cc(N2C[C@@H](C)O[C@H](C)C2)c(C#N)c(C)n1 ZINC000156534132 343613317 /nfs/dbraw/zinc/61/33/17/343613317.db2.gz SNLKUGSIKKPGCK-GHMZBOCLSA-N 0 0 245.326 2.184 10 30 BEEERN N#Cc1ccc(COc2ccc(N)c(N)c2)cc1 ZINC000616212962 343672479 /nfs/dbraw/zinc/67/24/79/343672479.db2.gz KQLPFHNVLAZXIH-UHFFFAOYSA-N 0 0 239.278 2.302 10 30 BEEERN C#CC[NH2+][C@]1(C(=O)[O-])CCCC[C@@H]1C(C)(C)C ZINC000041730607 166192277 /nfs/dbraw/zinc/19/22/77/166192277.db2.gz YZLXNNNZIXSCAJ-BXUZGUMPSA-N 0 0 237.343 2.269 10 30 BEEERN CSCc1ccc(C#CCCO)s1 ZINC000043683400 343700430 /nfs/dbraw/zinc/70/04/30/343700430.db2.gz XZVSDUVVEGTEQV-UHFFFAOYSA-N 0 0 212.339 2.345 10 30 BEEERN CC/C=C\CC[C@H](C(OC)OC)[C@@H]1CO1 ZINC000199767622 343704361 /nfs/dbraw/zinc/70/43/61/343704361.db2.gz CXMABIHIVBPKKC-OBOPVNRVSA-N 0 0 214.305 2.367 10 30 BEEERN C=CCOc1cccc(Br)n1 ZINC000069017103 343722642 /nfs/dbraw/zinc/72/26/42/343722642.db2.gz ZJGSTRXEWMUHIX-UHFFFAOYSA-N 0 0 214.062 2.409 10 30 BEEERN C=C(Cl)CNc1snc(C)c1C#N ZINC000306399877 343771295 /nfs/dbraw/zinc/77/12/95/343771295.db2.gz NUDQSPKDJVFAIW-UHFFFAOYSA-N 0 0 213.693 2.488 10 30 BEEERN C=CCCCN(C)C(=O)CCCn1ccnc1 ZINC000135081029 343747588 /nfs/dbraw/zinc/74/75/88/343747588.db2.gz RZWDZKOAPQGLLL-UHFFFAOYSA-N 0 0 235.331 2.088 10 30 BEEERN C=C(Cl)CNC(=O)Nc1ccco1 ZINC000306457684 343786068 /nfs/dbraw/zinc/78/60/68/343786068.db2.gz VXUQCFDSFVETKB-UHFFFAOYSA-N 0 0 200.625 2.154 10 30 BEEERN N#Cc1ccc(C#Cc2ccccc2)nc1 ZINC000382723627 343809828 /nfs/dbraw/zinc/80/98/28/343809828.db2.gz OWKPPRKFDWMCEU-UHFFFAOYSA-N 0 0 204.232 2.353 10 30 BEEERN N#C[C@H](N)c1ccc(N2CCCCCC2)o1 ZINC000409438483 343844209 /nfs/dbraw/zinc/84/42/09/343844209.db2.gz CVHDSIPBAWJXMH-JTQLQIEISA-N 0 0 219.288 2.183 10 30 BEEERN C#CCn1nc(-c2cccnc2)c2c1CCC2 ZINC000409438598 343844833 /nfs/dbraw/zinc/84/48/33/343844833.db2.gz MCOOEHYPSSYQQS-UHFFFAOYSA-N 0 0 223.279 2.067 10 30 BEEERN C#CCn1nc(-c2ccncc2)cc1CC ZINC000409438746 343845363 /nfs/dbraw/zinc/84/53/63/343845363.db2.gz FMRSRNNDYBGUAE-UHFFFAOYSA-N 0 0 211.268 2.141 10 30 BEEERN CCn1cc(CC=O)c(-c2ccsc2)n1 ZINC000409439803 343848358 /nfs/dbraw/zinc/84/83/58/343848358.db2.gz QRRGZHMYVBCAEX-UHFFFAOYSA-N 0 0 220.297 2.373 10 30 BEEERN Cc1ncnc(C#Cc2ccccc2)c1C ZINC000585144778 343880157 /nfs/dbraw/zinc/88/01/57/343880157.db2.gz DTABJBGQMMBFFO-UHFFFAOYSA-N 0 0 208.264 2.493 10 30 BEEERN COC(=O)[C@@]1(C)O[C@]12CCCC21CCCC1 ZINC000328234891 537828621 /nfs/dbraw/zinc/82/86/21/537828621.db2.gz FLLCLZXBGAVZDL-DGCLKSJQSA-N 0 0 224.300 2.431 10 30 BEEERN O=C[C@@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000054268646 343884944 /nfs/dbraw/zinc/88/49/44/343884944.db2.gz UHNFOBCEEVEGFT-SECBINFHSA-N 0 0 224.691 2.150 10 30 BEEERN C#CCn1nc(-c2ccsc2)cc1C(=N)OC ZINC000409443263 343866601 /nfs/dbraw/zinc/86/66/01/343866601.db2.gz KBBITDWUDDJNJE-UHFFFAOYSA-N 0 0 245.307 2.217 10 30 BEEERN CC[C@@H](C#N)n1cc(C(F)(F)F)cn1 ZINC000070018910 343946687 /nfs/dbraw/zinc/94/66/87/343946687.db2.gz BUCBPKRLSMUGHX-ZETCQYMHSA-N 0 0 203.167 2.377 10 30 BEEERN C=C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)OC ZINC000305971968 343930640 /nfs/dbraw/zinc/93/06/40/343930640.db2.gz GVMMABBNWQKAGO-UONOGXRCSA-N 0 0 245.322 2.381 10 30 BEEERN C#C[C@H](NC)c1cccc(Br)c1F ZINC000234393135 343963359 /nfs/dbraw/zinc/96/33/59/343963359.db2.gz XBFKMJDMBXPXRE-VIFPVBQESA-N 0 0 242.091 2.482 10 30 BEEERN C#CCC(=O)c1ccc(Br)cc1N ZINC000226679845 344099799 /nfs/dbraw/zinc/09/97/99/344099799.db2.gz YHYIADFVXDWFNI-UHFFFAOYSA-N 0 0 238.084 2.237 10 30 BEEERN O=C1c2ccccc2C(=O)C2=C1CCCO2 ZINC000026156971 344127727 /nfs/dbraw/zinc/12/77/27/344127727.db2.gz QVXBGFZUJLBQNF-UHFFFAOYSA-N 0 0 214.220 2.130 10 30 BEEERN CC#CCn1cc2c(c1)C(=O)CCCC2 ZINC000135386582 344248570 /nfs/dbraw/zinc/24/85/70/344248570.db2.gz WZHWUTGQWSQQKX-UHFFFAOYSA-N 0 0 201.269 2.421 10 30 BEEERN C=CC(C)(C)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000395383841 344249714 /nfs/dbraw/zinc/24/97/14/344249714.db2.gz KZZMFDBPQNKKJW-JGPRNRPPSA-N 0 0 207.317 2.361 10 30 BEEERN N#Cc1cc(Br)ccc1NO ZINC000306657047 344356838 /nfs/dbraw/zinc/35/68/38/344356838.db2.gz HQLKEGHTRCZWQH-UHFFFAOYSA-N 0 0 213.034 2.122 10 30 BEEERN C=C(Br)CNc1ccc(OC)cn1 ZINC000234894009 344448705 /nfs/dbraw/zinc/44/87/05/344448705.db2.gz MRUSIDPQDYTXMF-UHFFFAOYSA-N 0 0 243.104 2.411 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NCC(F)(F)F ZINC000054824489 344456424 /nfs/dbraw/zinc/45/64/24/344456424.db2.gz KNDJKEHJMZVAAZ-YUMQZZPRSA-N 0 0 206.211 2.221 10 30 BEEERN Cc1c(C#N)c(=O)[n-]c(N)c1-c1ccccc1 ZINC000409440928 344462968 /nfs/dbraw/zinc/46/29/68/344462968.db2.gz MYGMDPFYLQVHCL-UHFFFAOYSA-N 0 0 225.251 2.047 10 30 BEEERN N#Cc1c(C2CC2)n[nH]c1C1CCOCC1 ZINC000409441768 344467228 /nfs/dbraw/zinc/46/72/28/344467228.db2.gz UADQOIOODFMFPN-UHFFFAOYSA-N 0 0 217.272 2.053 10 30 BEEERN CCCCOCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054826136 344471819 /nfs/dbraw/zinc/47/18/19/344471819.db2.gz CMZYTALPSGVGEW-STQMWFEESA-N 0 0 224.348 2.475 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000054826046 344471886 /nfs/dbraw/zinc/47/18/86/344471886.db2.gz BZFKZFNHSUASSY-RWMBFGLXSA-N 0 0 222.332 2.227 10 30 BEEERN CC(C)[C@H]1C[C@@](Br)(C#N)CCO1 ZINC000127621155 344576363 /nfs/dbraw/zinc/57/63/63/344576363.db2.gz RSQJEYZFECUYBJ-RKDXNWHRSA-N 0 0 232.121 2.479 10 30 BEEERN C=CCCS(=O)(=O)NC1CCC(CC)CC1 ZINC000119787385 344547105 /nfs/dbraw/zinc/54/71/05/344547105.db2.gz UJCZDRPIYOKKAP-UHFFFAOYSA-N 0 0 245.388 2.451 10 30 BEEERN CC[C@H]1C[C@](Br)(C#N)CCO1 ZINC000127681779 344596937 /nfs/dbraw/zinc/59/69/37/344596937.db2.gz ADWWTOPMZQVDFP-YUMQZZPRSA-N 0 0 218.094 2.233 10 30 BEEERN C[C@H](C#N)Oc1cccc2c1CCC2=O ZINC000062800098 347058335 /nfs/dbraw/zinc/05/83/35/347058335.db2.gz DSMSOCVYJXLBKP-MRVPVSSYSA-N 0 0 201.225 2.106 10 30 BEEERN COc1cc(C(F)(F)F)cc(CC#N)n1 ZINC000396105984 344603183 /nfs/dbraw/zinc/60/31/83/344603183.db2.gz PKNKXDVPBZFTES-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1ccc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000396119724 344608109 /nfs/dbraw/zinc/60/81/09/344608109.db2.gz LDOCCBJNGJCINH-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C=C[C@H](NN)c1cc(Br)ccc1C ZINC000158426996 344649490 /nfs/dbraw/zinc/64/94/90/344649490.db2.gz ZVDHWOWWUZLGCD-JTQLQIEISA-N 0 0 241.132 2.448 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)nc1F ZINC000238593459 344646516 /nfs/dbraw/zinc/64/65/16/344646516.db2.gz YHNUOVGYDJSQFL-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN COc1cncc(C(=O)C2=CCCC2)c1 ZINC000234989867 344741332 /nfs/dbraw/zinc/74/13/32/344741332.db2.gz BRXFPDPKVXVBQL-UHFFFAOYSA-N 0 0 203.241 2.383 10 30 BEEERN N#CCc1cccc(N)c1OC(F)(F)F ZINC000238621124 344697246 /nfs/dbraw/zinc/69/72/46/344697246.db2.gz RKVVJWSTHYPIDR-UHFFFAOYSA-N 0 0 216.162 2.233 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NC(=O)c1ccco1 ZINC000260002420 344703561 /nfs/dbraw/zinc/70/35/61/344703561.db2.gz NNBBUILRINGNED-ZJUUUORDSA-N 0 0 218.256 2.092 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NC(=O)c1ccco1 ZINC000260002404 344703603 /nfs/dbraw/zinc/70/36/03/344703603.db2.gz NNBBUILRINGNED-VHSXEESVSA-N 0 0 218.256 2.092 10 30 BEEERN O=C(C[C@@H]1CCCCO1)C1=COCCC1 ZINC000128016094 344711553 /nfs/dbraw/zinc/71/15/53/344711553.db2.gz LQXGYENRZXVMCB-NSHDSACASA-N 0 0 210.273 2.209 10 30 BEEERN CS(=O)(=O)OCc1cccc2ccccc21 ZINC000166194001 344779783 /nfs/dbraw/zinc/77/97/83/344779783.db2.gz KQXOSSNABVNLNM-UHFFFAOYSA-N 0 0 236.292 2.316 10 30 BEEERN C[C@@H](OS(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000166204316 344788367 /nfs/dbraw/zinc/78/83/67/344788367.db2.gz RYDHCJIFOHWVJV-ZCFIWIBFSA-N 0 0 236.239 2.002 10 30 BEEERN C[C@H](OS(C)(=O)=O)c1ccc(F)cc1F ZINC000166221012 344802663 /nfs/dbraw/zinc/80/26/63/344802663.db2.gz WIRGUDXUBMDMLN-LURJTMIESA-N 0 0 236.239 2.002 10 30 BEEERN C=CCN(C)S(=O)(=O)c1cc(C)sc1C ZINC000119084014 344839307 /nfs/dbraw/zinc/83/93/07/344839307.db2.gz FRPWKMZKFWIBCW-UHFFFAOYSA-N 0 0 245.369 2.171 10 30 BEEERN COS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000221362777 537864269 /nfs/dbraw/zinc/86/42/69/537864269.db2.gz PDKZXLPINXSTJI-UHFFFAOYSA-N 0 0 240.202 2.041 10 30 BEEERN Cc1ccc(N(C)C(=O)[C@@H](C)S)cc1 ZINC000235255234 344861355 /nfs/dbraw/zinc/86/13/55/344861355.db2.gz YPCHBEJQSDWMPR-SECBINFHSA-N 0 0 209.314 2.276 10 30 BEEERN C=C[C@H](C)n1cnc(Cl)c(Cl)c1=O ZINC000166288343 344842884 /nfs/dbraw/zinc/84/28/84/344842884.db2.gz WWMRZUUABCIFKG-YFKPBYRVSA-N 0 0 219.071 2.297 10 30 BEEERN C[C@@H](S)C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000235263797 344863572 /nfs/dbraw/zinc/86/35/72/344863572.db2.gz DORQOJJTONILSE-BDAKNGLRSA-N 0 0 215.362 2.199 10 30 BEEERN C[C@@H]1CCC[C@@H](NC(=O)CS)CC1 ZINC000235280242 344871179 /nfs/dbraw/zinc/87/11/79/344871179.db2.gz QBAJAZHSCHPLQY-RKDXNWHRSA-N 0 0 201.335 2.001 10 30 BEEERN CSC1(C#N)CCN(C/C=C\Cl)CC1 ZINC000217370536 344889559 /nfs/dbraw/zinc/88/95/59/344889559.db2.gz SOZBHRVGGCZILK-DJWKRKHSSA-N 0 0 230.764 2.460 10 30 BEEERN C[C@H](S)C(=O)N1CCCCC[C@H]1C ZINC000235548277 344937699 /nfs/dbraw/zinc/93/76/99/344937699.db2.gz XLQQUISVOPUKCS-BDAKNGLRSA-N 0 0 201.335 2.096 10 30 BEEERN C[C@H](S)C(=O)N(C)c1cccc(F)c1 ZINC000235547334 344937526 /nfs/dbraw/zinc/93/75/26/344937526.db2.gz UFMHDEUUULTRPN-ZETCQYMHSA-N 0 0 213.277 2.107 10 30 BEEERN Cc1ccc(OCC(F)F)c(C#CCCO)c1 ZINC000037756371 178810666 /nfs/dbraw/zinc/81/06/66/178810666.db2.gz KDOJPCXKZUFQLR-UHFFFAOYSA-N 0 0 240.249 2.373 10 30 BEEERN C=CCCCN(C)C(=O)NCCCCOC ZINC000125214535 345071239 /nfs/dbraw/zinc/07/12/39/345071239.db2.gz VCDLPAWWJSXNPK-UHFFFAOYSA-N 0 0 228.336 2.021 10 30 BEEERN C=C[C@@H]([NH3+])c1cccnc1C(F)(F)F ZINC000238575357 345079196 /nfs/dbraw/zinc/07/91/96/345079196.db2.gz ATRRPFUIKGHRFB-SSDOTTSWSA-N 0 0 202.179 2.286 10 30 BEEERN Cc1ccc(C#N)c(NCC[C@@H]2CCCO2)n1 ZINC000044419526 345060548 /nfs/dbraw/zinc/06/05/48/345060548.db2.gz KBFHNWYGJABTCK-LBPRGKRZSA-N 0 0 231.299 2.243 10 30 BEEERN N#Cc1cc(C(F)(F)F)ccc1CO ZINC000238725455 345121006 /nfs/dbraw/zinc/12/10/06/345121006.db2.gz LVBJWKWRHAMNHC-UHFFFAOYSA-N 0 0 201.147 2.069 10 30 BEEERN Cn1cc(-c2ccc(C#N)c(Cl)n2)cn1 ZINC000044497710 345097636 /nfs/dbraw/zinc/09/76/36/345097636.db2.gz OMEAJSVVZNDDGM-UHFFFAOYSA-N 0 0 218.647 2.007 10 30 BEEERN Cc1cc(N[C@@H]2CCC[C@@H]2C#N)nc(C2CC2)n1 ZINC000408329136 345180726 /nfs/dbraw/zinc/18/07/26/345180726.db2.gz MCXUPJLVASSATF-VXGBXAGGSA-N 0 0 242.326 2.189 10 30 BEEERN C=C(Br)CNc1ncnc(C)c1F ZINC000226317713 345225989 /nfs/dbraw/zinc/22/59/89/345225989.db2.gz LBKNCSACFKETMV-UHFFFAOYSA-N 0 0 246.083 2.245 10 30 BEEERN C#C[C@@]1(O)C[C@H](C)S[C@H]2CCCC[C@H]21 ZINC000004746857 166214134 /nfs/dbraw/zinc/21/41/34/166214134.db2.gz HMMPBKORGPXTEU-WHOHXGKFSA-N 0 0 210.342 2.435 10 30 BEEERN C=C[C@H](NN)c1ccc(F)cc1Br ZINC000158429776 345329914 /nfs/dbraw/zinc/32/99/14/345329914.db2.gz WEYZRCRRSVDNIL-VIFPVBQESA-N 0 0 245.095 2.279 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249923721 362588641 /nfs/dbraw/zinc/58/86/41/362588641.db2.gz BJDWMRNNRQMNNT-WISYIIOYSA-N 0 0 220.316 2.041 10 30 BEEERN C=C(C)C(=O)OCCc1ccc(OC)cc1 ZINC000113211540 345753619 /nfs/dbraw/zinc/75/36/19/345753619.db2.gz IOFBPLNRQQDCSU-UHFFFAOYSA-N 0 0 220.268 2.357 10 30 BEEERN CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000158871346 345715086 /nfs/dbraw/zinc/71/50/86/345715086.db2.gz VRHSJJOVDFVSLT-QWHCGFSZSA-N 0 0 224.348 2.331 10 30 BEEERN C=C1C(=O)c2cc(C#N)ccc2OC1(C)C ZINC000034308567 345820739 /nfs/dbraw/zinc/82/07/39/345820739.db2.gz OBIQNEPESLMSIX-UHFFFAOYSA-N 0 0 213.236 2.468 10 30 BEEERN C#C[C@@H]([NH3+])c1csc(Br)c1 ZINC000163753336 345774913 /nfs/dbraw/zinc/77/49/13/345774913.db2.gz KHXDPDSVRWWNDF-ZCFIWIBFSA-N 0 0 216.103 2.144 10 30 BEEERN C=C[C@@H](O)c1cncc(Br)c1 ZINC000164009955 345781693 /nfs/dbraw/zinc/78/16/93/345781693.db2.gz MLWWXYYKQUNDES-MRVPVSSYSA-N 0 0 214.062 2.064 10 30 BEEERN CO/N=C/c1ccccc1Br ZINC000135978600 345798555 /nfs/dbraw/zinc/79/85/55/345798555.db2.gz PXYSQHPPUBKPHG-UXBLZVDNSA-N 0 0 214.062 2.429 10 30 BEEERN O=CCCCCC(=O)Nc1ccccc1 ZINC000143000756 345864516 /nfs/dbraw/zinc/86/45/16/345864516.db2.gz SAFVBEYOKFUVGE-UHFFFAOYSA-N 0 0 205.257 2.384 10 30 BEEERN C[C@@H](c1cccc2ncccc21)[C@H](N)C#N ZINC000142215202 345862501 /nfs/dbraw/zinc/86/25/01/345862501.db2.gz UPYLDIMOPBXFJE-JOYOIKCWSA-N 0 0 211.268 2.189 10 30 BEEERN COc1ccc2c(c1)[C@H]1O[C@H]1C(C)(C)C2=O ZINC000034412566 345827524 /nfs/dbraw/zinc/82/75/24/345827524.db2.gz FQETZCBEKYQUCZ-ZYHUDNBSSA-N 0 0 218.252 2.358 10 30 BEEERN C=CC(F)(F)[C@@H](O)COCc1ccccc1 ZINC000034557558 345831429 /nfs/dbraw/zinc/83/14/29/345831429.db2.gz NDIYZYWPUUYBOZ-NSHDSACASA-N 0 0 228.238 2.385 10 30 BEEERN CC(C)(C)OC(=O)/N=C/c1cccnc1 ZINC000034583509 345834016 /nfs/dbraw/zinc/83/40/16/345834016.db2.gz MGGXUONFFZSBCQ-MDWZMJQESA-N 0 0 206.245 2.436 10 30 BEEERN C=CCc1cc2c(cc1O)C(C)(C)[C@@H](O)O2 ZINC000034490740 345835948 /nfs/dbraw/zinc/83/59/48/345835948.db2.gz GGBSALGUDSPIPH-LBPRGKRZSA-N 0 0 220.268 2.109 10 30 BEEERN CCO[C@@H]1C[C@H](C)C2=C(CCCC2=O)O1 ZINC000143033291 345885566 /nfs/dbraw/zinc/88/55/66/345885566.db2.gz JQSVMOMBBHQBSL-KWQFWETISA-N 0 0 210.273 2.413 10 30 BEEERN O=CC[C@@H]1C2CCC(CC2)[C@@H]1C1OCCO1 ZINC000143468359 345902143 /nfs/dbraw/zinc/90/21/43/345902143.db2.gz VDCQNLVCDYCZGT-HCWSGVFWSA-N 0 0 224.300 2.001 10 30 BEEERN C[C@@H]1C[C@H](C(=O)NCC#N)CC(C)(C)C1 ZINC000184209449 345941243 /nfs/dbraw/zinc/94/12/43/345941243.db2.gz VQNFBNKUSPOLMU-ZJUUUORDSA-N 0 0 208.305 2.089 10 30 BEEERN CCCCCCCn1ccc(=O)c(N)c1 ZINC000123938697 537943073 /nfs/dbraw/zinc/94/30/73/537943073.db2.gz NQLNAQYKNQHOPI-UHFFFAOYSA-N 0 0 208.305 2.401 10 30 BEEERN C[C@H](CC=O)CC(=O)Nc1ccc(C#N)cc1 ZINC000150238705 346169242 /nfs/dbraw/zinc/16/92/42/346169242.db2.gz PXGYNKVJFCXVNR-SNVBAGLBSA-N 0 0 230.267 2.112 10 30 BEEERN N#Cc1ccccc1[C@H]1NCCCS1 ZINC000236195155 346205966 /nfs/dbraw/zinc/20/59/66/346205966.db2.gz RQBWMTALNJCZCM-NSHDSACASA-N 0 0 204.298 2.283 10 30 BEEERN Cc1cccc(C(=O)N(CC#N)C(C)C)c1 ZINC000057497667 179006084 /nfs/dbraw/zinc/00/60/84/179006084.db2.gz DFNXANWWPICCIG-UHFFFAOYSA-N 0 0 216.284 2.369 10 30 BEEERN Cc1cccc(C(=O)N2CCC(=NO)CC2)c1C ZINC000019442424 179007292 /nfs/dbraw/zinc/00/72/92/179007292.db2.gz VGHBEIGXUOXVOW-UHFFFAOYSA-N 0 0 246.310 2.370 10 30 BEEERN C#CCC(=O)Nc1ccc(O)c(Cl)c1 ZINC000236585916 346252540 /nfs/dbraw/zinc/25/25/40/346252540.db2.gz MGFZRPAADLSPDS-UHFFFAOYSA-N 0 0 209.632 2.007 10 30 BEEERN CCOC(=O)CC1([C@@H]2CO2)CCCCC1 ZINC000675052561 537963720 /nfs/dbraw/zinc/96/37/20/537963720.db2.gz GOUMVCCMAAHQSN-JTQLQIEISA-N 0 0 212.289 2.289 10 30 BEEERN Cc1cccc(CC(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000061888561 179052463 /nfs/dbraw/zinc/05/24/63/179052463.db2.gz DKVZBXBIJXCUHX-UONOGXRCSA-N 0 0 242.322 2.346 10 30 BEEERN Cc1nc(C#N)sc1-c1ncc(C)cn1 ZINC000669379340 537977115 /nfs/dbraw/zinc/97/71/15/537977115.db2.gz CEEVUHFEYALYFA-UHFFFAOYSA-N 0 0 216.269 2.089 10 30 BEEERN C#C[C@@H](NN)c1ccc(Cl)c(Cl)c1 ZINC000229698226 346453264 /nfs/dbraw/zinc/45/32/64/346453264.db2.gz IXAFFYIXLMYSRZ-SECBINFHSA-N 0 0 215.083 2.131 10 30 BEEERN CCn1ccnc1-c1sc(C#N)nc1C ZINC000669379607 537980910 /nfs/dbraw/zinc/98/09/10/537980910.db2.gz GQMMKMUOGJSUGO-UHFFFAOYSA-N 0 0 218.285 2.207 10 30 BEEERN CCCC(=O)N[C@H](C#N)c1ccccc1 ZINC000041041755 168557314 /nfs/dbraw/zinc/55/73/14/168557314.db2.gz JSLKGEIUFKSYSV-LLVKDONJSA-N 0 0 202.257 2.168 10 30 BEEERN Cc1cccc(CN[C@H]2CCC[C@@H]2C#N)n1 ZINC000054829138 179101432 /nfs/dbraw/zinc/10/14/32/179101432.db2.gz NFARZPDPJUAWSB-YPMHNXCESA-N 0 0 215.300 2.172 10 30 BEEERN Cc1cc(S[C@@H](C)CO)ccc1C#N ZINC000162420695 346523130 /nfs/dbraw/zinc/52/31/30/346523130.db2.gz AVQRIVFVOWWJBU-VIFPVBQESA-N 0 0 207.298 2.340 10 30 BEEERN C=CC[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000148296534 346500180 /nfs/dbraw/zinc/50/01/80/346500180.db2.gz GDYFBOMUZUSZTO-UWVGGRQHSA-N 0 0 202.319 2.166 10 30 BEEERN C=C(C(=O)OCC)[C@H](O)c1ccc(CC)cc1 ZINC000019835288 187370395 /nfs/dbraw/zinc/37/03/95/187370395.db2.gz RDCYBTPBGCMCIQ-ZDUSSCGKSA-N 0 0 234.295 2.402 10 30 BEEERN Cc1cccc(N[C@@]2(C#N)CN3CCC2CC3)c1 ZINC000037936859 179156300 /nfs/dbraw/zinc/15/63/00/179156300.db2.gz LFOPBANCYJQAFY-HNNXBMFYSA-N 0 0 241.338 2.395 10 30 BEEERN Cc1cccc(N[C@@H](C#N)c2cnn(C)c2)c1 ZINC000037936854 179151676 /nfs/dbraw/zinc/15/16/76/179151676.db2.gz DOHIMLQUEJZMBK-ZDUSSCGKSA-N 0 0 226.283 2.405 10 30 BEEERN C[C@@H](CC(=O)N[C@@H](C#N)C1CC1)C(C)(C)C ZINC000070976659 133643270 /nfs/dbraw/zinc/64/32/70/133643270.db2.gz HEYCKGHZOOQIEA-ONGXEEELSA-N 0 0 222.332 2.477 10 30 BEEERN Cc1cccc(N[C@]2(C#N)CCN(C)C2)c1 ZINC000061990884 179159121 /nfs/dbraw/zinc/15/91/21/179159121.db2.gz CXFDVTQAZINANP-ZDUSSCGKSA-N 0 0 215.300 2.005 10 30 BEEERN Cc1cccc(N[C@]2(C#N)CN3CCC2CC3)c1 ZINC000037936858 179159139 /nfs/dbraw/zinc/15/91/39/179159139.db2.gz LFOPBANCYJQAFY-OAHLLOKOSA-N 0 0 241.338 2.395 10 30 BEEERN COC(=O)[C@@H]1O[C@@]1(C)c1cc(C)cc(C)c1 ZINC000148687520 537986990 /nfs/dbraw/zinc/98/69/90/537986990.db2.gz PAKYOIJVTZBVCS-AAEUAGOBSA-N 0 0 220.268 2.090 10 30 BEEERN CC1(C)C[C@H](NC(=O)CC#N)c2ccccc2O1 ZINC000184379369 347160193 /nfs/dbraw/zinc/16/01/93/347160193.db2.gz KNOLPPIJBSJLNC-NSHDSACASA-N 0 0 244.294 2.319 10 30 BEEERN Cc1cccc(SCC[C@H](N)C#N)c1 ZINC000062457238 179177467 /nfs/dbraw/zinc/17/74/67/179177467.db2.gz JZIRALYMVHQZHE-JTQLQIEISA-N 0 0 206.314 2.328 10 30 BEEERN COC(=O)CCCC[C@@H]1O[C@H]1c1cccnc1 ZINC000038868553 347168261 /nfs/dbraw/zinc/16/82/61/347168261.db2.gz IBYPRHCBTKBJKL-AAEUAGOBSA-N 0 0 235.283 2.255 10 30 BEEERN CC(C)CCSCC(=O)N[C@H](C#N)C1CC1 ZINC000108839319 347209841 /nfs/dbraw/zinc/20/98/41/347209841.db2.gz ZEOYEVNJJWPKGF-LLVKDONJSA-N 0 0 240.372 2.184 10 30 BEEERN Cc1cccc([C@H](C#N)C(=O)[C@H]2CCOC2)c1 ZINC000055332566 179191664 /nfs/dbraw/zinc/19/16/64/179191664.db2.gz AJYBBTQFOAJKLU-STQMWFEESA-N 0 0 229.279 2.208 10 30 BEEERN Cc1cccc2c(Cl)c(C#N)nnc12 ZINC000045928983 179210195 /nfs/dbraw/zinc/21/01/95/179210195.db2.gz NNAAFJKZGPNPRA-UHFFFAOYSA-N 0 0 203.632 2.463 10 30 BEEERN CC(=O)O[C@@H](C#N)Sc1ccccc1 ZINC000196194856 347488348 /nfs/dbraw/zinc/48/83/48/347488348.db2.gz IWJAGVRBVKEPCU-SNVBAGLBSA-N 0 0 207.254 2.191 10 30 BEEERN Cc1ccccc1/C=N/OCC(=O)NC(C)(C)C ZINC000005406510 179244013 /nfs/dbraw/zinc/24/40/13/179244013.db2.gz SUPUZFWQWLGASJ-OQLLNIDSSA-N 0 0 248.326 2.260 10 30 BEEERN N#Cc1cccc(Oc2ccc(CO)cn2)c1 ZINC000149739018 347505129 /nfs/dbraw/zinc/50/51/29/347505129.db2.gz WRPCLOLJAOARSL-UHFFFAOYSA-N 0 0 226.235 2.238 10 30 BEEERN C=CCNC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000111432649 347573913 /nfs/dbraw/zinc/57/39/13/347573913.db2.gz HOHOVKIJDPLGSZ-GWCFXTLKSA-N 0 0 230.311 2.405 10 30 BEEERN C=C[C@H](NC1(C2CCC2)CCC1)C(=O)OC ZINC000590972763 347598484 /nfs/dbraw/zinc/59/84/84/347598484.db2.gz BNLYETXZPHZJRL-NSHDSACASA-N 0 0 223.316 2.026 10 30 BEEERN C[C@H]1CCC[C@@H]1C(=O)NCC1(CC#N)CC1 ZINC000404262839 229587243 /nfs/dbraw/zinc/58/72/43/229587243.db2.gz SPXDBFAISHYGSV-QWRGUYRKSA-N 0 0 220.316 2.233 10 30 BEEERN CC[C@](C)(C#N)C(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000592712661 347808425 /nfs/dbraw/zinc/80/84/25/347808425.db2.gz LZWKZBQRDFAMKI-SBFPOUOMSA-N 0 0 220.316 2.231 10 30 BEEERN CC1(C)O[C@H](C#N)[C@@H](c2ccccc2)O1 ZINC000196248533 347843731 /nfs/dbraw/zinc/84/37/31/347843731.db2.gz ASRJZBPVKYWPOA-GHMZBOCLSA-N 0 0 203.241 2.403 10 30 BEEERN Cc1ccccc1N[C@@H](C#N)c1cnn(C)c1 ZINC000037938074 179305766 /nfs/dbraw/zinc/30/57/66/179305766.db2.gz FWNHHAYEHLAUGE-ZDUSSCGKSA-N 0 0 226.283 2.405 10 30 BEEERN Cc1ccccc1[C@@H](C#N)NC[C@H]1CCCO1 ZINC000037940038 179315915 /nfs/dbraw/zinc/31/59/15/179315915.db2.gz LTALABXGRDGUNO-TZMCWYRMSA-N 0 0 230.311 2.328 10 30 BEEERN C[C@@H](C#N)CN1CCc2sccc2C1 ZINC000036984996 347997647 /nfs/dbraw/zinc/99/76/47/347997647.db2.gz LTRRPMRXYQJGHB-VIFPVBQESA-N 0 0 206.314 2.266 10 30 BEEERN CN(CCc1ccccn1)[C@H]1CCC[C@@H]1C#N ZINC000037146638 348023875 /nfs/dbraw/zinc/02/38/75/348023875.db2.gz ASYCVSOHOGOXSW-OCCSQVGLSA-N 0 0 229.327 2.248 10 30 BEEERN N#C[C@H]1CCC[C@H]1Sc1ncccn1 ZINC000037155927 348025677 /nfs/dbraw/zinc/02/56/77/348025677.db2.gz PFRLIESJGPOLME-RKDXNWHRSA-N 0 0 205.286 2.261 10 30 BEEERN C[Si](C)(C#CBr)c1ccccc1 ZINC000196843070 348033427 /nfs/dbraw/zinc/03/34/27/348033427.db2.gz STPMUFPAVCGOIX-UHFFFAOYSA-N 0 0 239.188 2.497 10 30 BEEERN CN(C)[C@@]1(C#N)CCCN(Cc2ccccc2)C1 ZINC000037354688 348353394 /nfs/dbraw/zinc/35/33/94/348353394.db2.gz QLRSMQITZVQMKY-OAHLLOKOSA-N 0 0 243.354 2.106 10 30 BEEERN CSC(=NC#N)N1C[C@H](C)CC[C@H]1C ZINC000251788281 362919110 /nfs/dbraw/zinc/91/91/10/362919110.db2.gz LLLXTALGFWDVNN-RKDXNWHRSA-N 0 0 211.334 2.307 10 30 BEEERN C#CCOC(=O)OC1=C(C(C)=O)CCCC1 ZINC000205094387 348450051 /nfs/dbraw/zinc/45/00/51/348450051.db2.gz HCODFPDYDJMEKP-UHFFFAOYSA-N 0 0 222.240 2.190 10 30 BEEERN C=CCCS(=O)(=O)N[C@H](C)c1ccc(C)o1 ZINC000119385574 348719928 /nfs/dbraw/zinc/71/99/28/348719928.db2.gz PMMZLVYWVJMIKS-SNVBAGLBSA-N 0 0 243.328 2.145 10 30 BEEERN C[C@H](C#N)NC(=O)c1cscc1C(F)(F)F ZINC000598824595 349045972 /nfs/dbraw/zinc/04/59/72/349045972.db2.gz DYQABVMJKALZJC-RXMQYKEDSA-N 0 0 248.229 2.409 10 30 BEEERN CC(C)(C)c1ccc(OC[C@H](N)C#N)cc1 ZINC000019665845 187417678 /nfs/dbraw/zinc/41/76/78/187417678.db2.gz OMMDZHYXXVQGJS-LLVKDONJSA-N 0 0 218.300 2.214 10 30 BEEERN CC(=O)Nc1ccc(S[C@@H](C)C=O)cc1 ZINC000616573725 349072194 /nfs/dbraw/zinc/07/21/94/349072194.db2.gz UBALIVGNAFBXNA-QMMMGPOBSA-N 0 0 223.297 2.325 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)cc1C=O ZINC000616576354 349101360 /nfs/dbraw/zinc/10/13/60/349101360.db2.gz NPVSEZODIKSRRI-UHFFFAOYSA-N 0 0 229.157 2.464 10 30 BEEERN CC(C)N(CCC#N)c1ccc(F)cc1CO ZINC000042529641 187430785 /nfs/dbraw/zinc/43/07/85/187430785.db2.gz UQYJTHUBUDKWKR-UHFFFAOYSA-N 0 0 236.290 2.446 10 30 BEEERN CC(C)N(CCC#N)Cc1cn2ccccc2n1 ZINC000042530719 187430920 /nfs/dbraw/zinc/43/09/20/187430920.db2.gz ILJQHLMBAMZRKS-UHFFFAOYSA-N 0 0 242.326 2.458 10 30 BEEERN Cc1csc(Sc2ncc(N)cc2C#N)n1 ZINC000037759428 179792509 /nfs/dbraw/zinc/79/25/09/179792509.db2.gz LBNVDQKNSUXTRN-UHFFFAOYSA-N 0 0 248.336 2.452 10 30 BEEERN SCc1noc2c1CCc1occc1-2 ZINC000725252620 538033931 /nfs/dbraw/zinc/03/39/31/538033931.db2.gz MQGCAPOBVFZSKT-UHFFFAOYSA-N 0 0 207.254 2.463 10 30 BEEERN CC#CCC(=O)c1ccc2c(c1)COC2 ZINC000167878279 349291717 /nfs/dbraw/zinc/29/17/17/349291717.db2.gz AJJODSSVJUBSAU-UHFFFAOYSA-N 0 0 200.237 2.313 10 30 BEEERN Cc1nc(C(C)C)oc1Cn1cc(C#N)cn1 ZINC000333661346 179897093 /nfs/dbraw/zinc/89/70/93/179897093.db2.gz HAHLLVHERUJJFG-UHFFFAOYSA-N 0 0 230.271 2.223 10 30 BEEERN CC(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000070124088 190986072 /nfs/dbraw/zinc/98/60/72/190986072.db2.gz YNQGZYVYXRHZGZ-HBNTYKKESA-N 0 0 208.305 2.087 10 30 BEEERN C=C1CCN(c2ncccc2C=O)CC1 ZINC000306817873 538045116 /nfs/dbraw/zinc/04/51/16/538045116.db2.gz BSKUIXCGOBUELH-UHFFFAOYSA-N 0 0 202.257 2.051 10 30 BEEERN O=CC[C@@H](O)c1cc(Br)ccc1F ZINC000159371157 350080378 /nfs/dbraw/zinc/08/03/78/350080378.db2.gz SLRXCEYXUHFDEM-SECBINFHSA-N 0 0 247.063 2.211 10 30 BEEERN CC(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000022203391 350086328 /nfs/dbraw/zinc/08/63/28/350086328.db2.gz FDWUMKSZAAYGDQ-UHFFFAOYSA-N 0 0 202.253 2.012 10 30 BEEERN NC(=S)NN=Cc1cccc2ccccc12 ZINC000006133589 350086484 /nfs/dbraw/zinc/08/64/84/350086484.db2.gz LPGXRPAESUOQHF-UHFFFAOYSA-N 0 0 229.308 2.007 10 30 BEEERN COc1cccc(/N=C/c2nccn2C)c1 ZINC000218300157 350088138 /nfs/dbraw/zinc/08/81/38/350088138.db2.gz MMLSEPMWTKRVFL-NTEUORMPSA-N 0 0 215.256 2.179 10 30 BEEERN N#CC1(c2cncc(C(F)(F)F)c2)CC(O)C1 ZINC000218573680 350096638 /nfs/dbraw/zinc/09/66/38/350096638.db2.gz TVVHRCGIZNPQBF-UHFFFAOYSA-N 0 0 242.200 2.016 10 30 BEEERN C#CC[C@@H](O[C@@H]1CCCCO1)[C@@H](C)[C@@H](O)C=C ZINC000039077052 350115325 /nfs/dbraw/zinc/11/53/25/350115325.db2.gz NZQSSDFMYCVZEN-IGQOVBAYSA-N 0 0 238.327 2.105 10 30 BEEERN CO/N=C(/C)CC(=O)OCc1ccccc1 ZINC000220224522 350167381 /nfs/dbraw/zinc/16/73/81/350167381.db2.gz KCKODXOQXBYEKU-RAXLEYEMSA-N 0 0 221.256 2.142 10 30 BEEERN N#Cc1cc([N+](=O)[O-])c(F)cc1Cl ZINC000034415161 259410982 /nfs/dbraw/zinc/41/09/82/259410982.db2.gz OUJPFWISNRZAJD-UHFFFAOYSA-N 0 0 200.556 2.259 10 30 BEEERN Cc1nc[nH]c1CNc1ccc(OCC#N)cc1 ZINC000054794100 180121057 /nfs/dbraw/zinc/12/10/57/180121057.db2.gz YLNJIESDYRSENN-UHFFFAOYSA-N 0 0 242.282 2.233 10 30 BEEERN Cc1nc[nH]c1CNc1cccc(C#N)c1 ZINC000054793799 180121875 /nfs/dbraw/zinc/12/18/75/180121875.db2.gz VVMIUVNANIHJES-UHFFFAOYSA-N 0 0 212.256 2.202 10 30 BEEERN CC(=O)O[C@H](C)[C@@](C)(C#N)c1ccccc1 ZINC000062721646 187440876 /nfs/dbraw/zinc/44/08/76/187440876.db2.gz WPSQVLQXKXVLCM-ZWNOBZJWSA-N 0 0 217.268 2.419 10 30 BEEERN C[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000123124183 191073625 /nfs/dbraw/zinc/07/36/25/191073625.db2.gz YGDNNQYOLJNQJM-OIBJUYFYSA-N 0 0 217.228 2.287 10 30 BEEERN Cc1nccc(Oc2ccc(N)cc2C#N)n1 ZINC000054936672 180206967 /nfs/dbraw/zinc/20/69/67/180206967.db2.gz XGZREEPZBZVHSM-UHFFFAOYSA-N 0 0 226.239 2.031 10 30 BEEERN Cc1ncsc1CCOCCCC#N ZINC000019518621 180311403 /nfs/dbraw/zinc/31/14/03/180311403.db2.gz YXNNEEOHULAGKF-UHFFFAOYSA-N 0 0 210.302 2.314 10 30 BEEERN Cc1ccnc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000328197504 350392055 /nfs/dbraw/zinc/39/20/55/350392055.db2.gz RZZUQXRCDNSYDH-DGCLKSJQSA-N 0 0 215.300 2.172 10 30 BEEERN C[C@H](COCc1ccccc1)OC[C@H]1CO1 ZINC000226013143 350395296 /nfs/dbraw/zinc/39/52/96/350395296.db2.gz SVDDAPVYOKSUTE-YPMHNXCESA-N 0 0 222.284 2.007 10 30 BEEERN Cc1nn(C)c(C)c1[C@@H](C#N)N1CCCCCC1 ZINC000038086285 180346607 /nfs/dbraw/zinc/34/66/07/180346607.db2.gz VYGCEPFLAGOAOF-CYBMUJFWSA-N 0 0 246.358 2.478 10 30 BEEERN Cc1nn(C)c(N(CC(C)C)C2CC2)c1C#N ZINC000104319197 180353372 /nfs/dbraw/zinc/35/33/72/180353372.db2.gz ONPLVZSXNOCPJM-UHFFFAOYSA-N 0 0 232.331 2.225 10 30 BEEERN C[C@H]1CCC[C@H](C)[NH+]1C1CC(C#CC(=O)[O-])C1 ZINC000725265101 538092695 /nfs/dbraw/zinc/09/26/95/538092695.db2.gz FNMFRNZUBPCOQM-ZSVAQUKISA-N 0 0 235.327 2.116 10 30 BEEERN CC[C@@H](SC)C(=O)NC1(C#N)CCCC1 ZINC000121789169 259414057 /nfs/dbraw/zinc/41/40/57/259414057.db2.gz ZHURDHBJLYIQKM-SECBINFHSA-N 0 0 226.345 2.081 10 30 BEEERN Cc1nn(C)c(Oc2cccc(N)c2C)c1C#N ZINC000104304463 180361158 /nfs/dbraw/zinc/36/11/58/180361158.db2.gz CYTRKDIVIDDJMZ-UHFFFAOYSA-N 0 0 242.282 2.283 10 30 BEEERN Cc1ccc(Cc2cc(C#N)ncn2)cc1 ZINC000409436515 350479454 /nfs/dbraw/zinc/47/94/54/350479454.db2.gz DEJBVBXYBSRJSX-UHFFFAOYSA-N 0 0 209.252 2.248 10 30 BEEERN Cc1nn(CCC[C@@](C)(N)C#N)c(C)c1Cl ZINC000050588021 180387541 /nfs/dbraw/zinc/38/75/41/180387541.db2.gz HXEGQZHCUPSSIG-LLVKDONJSA-N 0 0 240.738 2.175 10 30 BEEERN Cc1nn(C[C@H](C#N)NC(C)C)c(C)c1Cl ZINC000050588015 180390920 /nfs/dbraw/zinc/39/09/20/180390920.db2.gz GXTVAWMZUHUWPB-JTQLQIEISA-N 0 0 240.738 2.044 10 30 BEEERN CCc1cnc(CN[C@@H]2CCCC[C@@H]2C#N)o1 ZINC000231645591 350632482 /nfs/dbraw/zinc/63/24/82/350632482.db2.gz SPUDYQZETCVETG-ZYHUDNBSSA-N 0 0 233.315 2.409 10 30 BEEERN Cc1cnc(CN[C@@H]2CCC[C@H]2C#N)s1 ZINC000334508884 350674883 /nfs/dbraw/zinc/67/48/83/350674883.db2.gz LDQREVXODRJMSV-VHSXEESVSA-N 0 0 221.329 2.233 10 30 BEEERN COc1nc(N=[N+]=[N-])ncc1Br ZINC000234918167 350706450 /nfs/dbraw/zinc/70/64/50/350706450.db2.gz ZRZXPJLNLSRUHX-UHFFFAOYSA-N 0 0 230.025 2.190 10 30 BEEERN C=CCOC(=O)[C@]1(CC=C)CCCCC1=O ZINC000104839475 191121939 /nfs/dbraw/zinc/12/19/39/191121939.db2.gz RKNSVVUVOUXEEV-CYBMUJFWSA-N 0 0 222.284 2.421 10 30 BEEERN C[C@H]1N(Cc2ccccc2)CC[C@]1(C#N)N(C)C ZINC000306674767 350823633 /nfs/dbraw/zinc/82/36/33/350823633.db2.gz RCFULLBMPNJIFF-UKRRQHHQSA-N 0 0 243.354 2.105 10 30 BEEERN COC(=O)N1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616608044 350802997 /nfs/dbraw/zinc/80/29/97/350802997.db2.gz SWRDOIBGWMNFKB-GFCCVEGCSA-N 0 0 230.267 2.462 10 30 BEEERN C[C@H]1N(Cc2ccccc2)CC[C@@]1(C#N)N(C)C ZINC000306674766 350823945 /nfs/dbraw/zinc/82/39/45/350823945.db2.gz RCFULLBMPNJIFF-HIFRSBDPSA-N 0 0 243.354 2.105 10 30 BEEERN COC(=O)N1CC[C@H](c2ccc(C#N)cc2)C1 ZINC000616610304 350808636 /nfs/dbraw/zinc/80/86/36/350808636.db2.gz NAKDQEKOEISUBI-LBPRGKRZSA-N 0 0 230.267 2.114 10 30 BEEERN CC[C@@H]1C[C@@]2(CCC[C@H](C=O)O2)CCO1 ZINC000306729673 350898297 /nfs/dbraw/zinc/89/82/97/350898297.db2.gz OSQXQSOHLQLKJC-IJLUTSLNSA-N 0 0 212.289 2.082 10 30 BEEERN C[C@]1(O)CCC[C@]1(C)[C@@]1(C=O)CCCS1 ZINC000306731588 350901246 /nfs/dbraw/zinc/90/12/46/350901246.db2.gz QUMCWPGSUSBJFO-SRVKXCTJSA-N 0 0 228.357 2.392 10 30 BEEERN N#Cc1cc(Br)cc(C#N)c1F ZINC000222374426 350913988 /nfs/dbraw/zinc/91/39/88/350913988.db2.gz PKJMCNWVFGYQRW-UHFFFAOYSA-N 0 0 225.020 2.332 10 30 BEEERN N#CCc1cnc(C(F)(F)F)c(F)c1 ZINC000306712360 350873429 /nfs/dbraw/zinc/87/34/29/350873429.db2.gz ZCZBNKGDSKNJKY-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN CCC1(CNC(=O)C#CBr)CCC1 ZINC000306714357 350876966 /nfs/dbraw/zinc/87/69/66/350876966.db2.gz QLMYEOMRTWQJIY-UHFFFAOYSA-N 0 0 244.132 2.039 10 30 BEEERN C#Cc1csc(-c2cccc(N)c2)n1 ZINC000159714772 350984232 /nfs/dbraw/zinc/98/42/32/350984232.db2.gz FWWOIHMTMFHLRM-UHFFFAOYSA-N 0 0 200.266 2.374 10 30 BEEERN CC[C@@H](S)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000306765452 351001074 /nfs/dbraw/zinc/00/10/74/351001074.db2.gz AAFQRNGPKGHIHO-OPRDCNLKSA-N 0 0 215.362 2.390 10 30 BEEERN CC(=O)N1CCC[C@@H](c2ccccc2C#N)C1 ZINC000616620634 350944049 /nfs/dbraw/zinc/94/40/49/350944049.db2.gz RDYPQQNGBPZRKK-CYBMUJFWSA-N 0 0 228.295 2.284 10 30 BEEERN C[C@H](N[C@H]1CCCC[C@@H]1C#N)c1csnn1 ZINC000398226833 351016211 /nfs/dbraw/zinc/01/62/11/351016211.db2.gz FWDFCPDHDJGAPN-AEJSXWLSSA-N 0 0 236.344 2.271 10 30 BEEERN C=CC1CCN(Cc2nnc(C)n2C2CC2)CC1 ZINC000111256338 191130222 /nfs/dbraw/zinc/13/02/22/191130222.db2.gz SFOJQDJQVHPNPN-UHFFFAOYSA-N 0 0 246.358 2.319 10 30 BEEERN C[C@H](CC#N)N(C)[C@@H]1CCCCCC1=O ZINC000063087584 351097829 /nfs/dbraw/zinc/09/78/29/351097829.db2.gz KAPCHTIBKIXPRR-GHMZBOCLSA-N 0 0 208.305 2.122 10 30 BEEERN CC(=O)COc1cc(Cl)ccc1C#N ZINC000129337724 351138881 /nfs/dbraw/zinc/13/88/81/351138881.db2.gz AEQJDPUNNSPNJB-UHFFFAOYSA-N 0 0 209.632 2.179 10 30 BEEERN N#C[C@@]1(Cc2ccncc2)CCCS1 ZINC000306864649 351243869 /nfs/dbraw/zinc/24/38/69/351243869.db2.gz KUFZZWGFYMNFSX-NSHDSACASA-N 0 0 204.298 2.413 10 30 BEEERN C[C@]1(N(O)C=C2C=CC(=O)C=C2)CCCCC1=O ZINC000005898752 351293783 /nfs/dbraw/zinc/29/37/83/351293783.db2.gz FCQWGKIGPFMUDC-AWEZNQCLSA-N 0 0 247.294 2.158 10 30 BEEERN C[C@@H]1SCCS[C@@H]1C(=O)C1=CCCO1 ZINC000168108221 351294617 /nfs/dbraw/zinc/29/46/17/351294617.db2.gz OCBOIEZOLZETLK-XVKPBYJWSA-N 0 0 230.354 2.097 10 30 BEEERN O=C(C#CBr)NCC1CCCCC1 ZINC000306904375 351320995 /nfs/dbraw/zinc/32/09/95/351320995.db2.gz UDMMCLKQBGLXLV-UHFFFAOYSA-N 0 0 244.132 2.039 10 30 BEEERN O=C(CS)Nc1cc(F)ccc1Cl ZINC000231836794 351399256 /nfs/dbraw/zinc/39/92/56/351399256.db2.gz ISYIVWIASBJXMX-UHFFFAOYSA-N 0 0 219.668 2.347 10 30 BEEERN N#Cc1nc(OC(F)F)ccc1Cl ZINC000307022495 351426996 /nfs/dbraw/zinc/42/69/96/351426996.db2.gz CWADVBZNJNUSIY-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C[C@H](COCc1ccccc1)[NH2+][C@@H](C)CC#N ZINC000307032286 351432623 /nfs/dbraw/zinc/43/26/23/351432623.db2.gz PZKJZDCLWYEZCQ-QWHCGFSZSA-N 0 0 232.327 2.483 10 30 BEEERN C[C@@H](CC#N)[NH2+][C@@H](C)COCc1ccccc1 ZINC000307032562 351432685 /nfs/dbraw/zinc/43/26/85/351432685.db2.gz PZKJZDCLWYEZCQ-STQMWFEESA-N 0 0 232.327 2.483 10 30 BEEERN C=CCCN1CCc2sccc2C1=O ZINC000307040497 351439163 /nfs/dbraw/zinc/43/91/63/351439163.db2.gz JIQFVXXHGOQQGU-UHFFFAOYSA-N 0 0 207.298 2.323 10 30 BEEERN Cc1nc(C)c([C@@H](C#N)NC2CC2)s1 ZINC000307003332 351413381 /nfs/dbraw/zinc/41/33/81/351413381.db2.gz CYEAUIJVHAIGAT-SECBINFHSA-N 0 0 207.302 2.077 10 30 BEEERN N#CCc1cc(F)cnc1C(F)(F)F ZINC000307019534 351423864 /nfs/dbraw/zinc/42/38/64/351423864.db2.gz YJPJXMXOSFJGSL-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN C[C@@H](C#N)NC[C@H](C)COCc1ccccc1 ZINC000307020540 351424658 /nfs/dbraw/zinc/42/46/58/351424658.db2.gz TVYKYLSHLYBJFK-STQMWFEESA-N 0 0 232.327 2.341 10 30 BEEERN C#CC[C@H](NN)c1cc(F)ccc1Cl ZINC000307136493 351494080 /nfs/dbraw/zinc/49/40/80/351494080.db2.gz UWCRFZTVMPNBPA-JTQLQIEISA-N 0 0 212.655 2.007 10 30 BEEERN Cc1cc(F)c(F)cc1OC[C@@]1(C)CO1 ZINC000307102254 351476247 /nfs/dbraw/zinc/47/62/47/351476247.db2.gz BTASRKKYFZVYBM-NSHDSACASA-N 0 0 214.211 2.441 10 30 BEEERN CC1CCC(NC(=O)C#CBr)CC1 ZINC000307165454 351531780 /nfs/dbraw/zinc/53/17/80/351531780.db2.gz LUJJHHHJYHUSJR-UHFFFAOYSA-N 0 0 244.132 2.037 10 30 BEEERN C[C@H](N(C)C(=O)C#CBr)C(C)(C)C ZINC000307166348 351535149 /nfs/dbraw/zinc/53/51/49/351535149.db2.gz OUIWPHJBIGYOBK-QMMMGPOBSA-N 0 0 246.148 2.235 10 30 BEEERN Cc1ncc([C@@H]2OCCC[C@@H]2C#N)s1 ZINC000307198573 351599668 /nfs/dbraw/zinc/59/96/68/351599668.db2.gz VMOVGCHDYJCRAI-PSASIEDQSA-N 0 0 208.286 2.443 10 30 BEEERN Cc1ncc([C@@H]2OCCC[C@H]2C#N)s1 ZINC000307198575 351599725 /nfs/dbraw/zinc/59/97/25/351599725.db2.gz VMOVGCHDYJCRAI-WCBMZHEXSA-N 0 0 208.286 2.443 10 30 BEEERN Cn1c2c(cccc2C#N)nc1C(F)(F)F ZINC000076213756 180615312 /nfs/dbraw/zinc/61/53/12/180615312.db2.gz CFKUUNQHRFHMMV-UHFFFAOYSA-N 0 0 225.173 2.464 10 30 BEEERN COc1ccc(CC2CC(C#N)(CO)C2)cc1 ZINC000606302121 351553528 /nfs/dbraw/zinc/55/35/28/351553528.db2.gz COMIZZKQTWDKRL-UHFFFAOYSA-N 0 0 231.295 2.150 10 30 BEEERN Cc1ccccc1CC1CC(C#N)(CO)C1 ZINC000606302505 351555862 /nfs/dbraw/zinc/55/58/62/351555862.db2.gz NVQLQMJDSMMVQB-UHFFFAOYSA-N 0 0 215.296 2.450 10 30 BEEERN CN[C@H](C#N)c1cccc(F)c1Br ZINC000307254959 351787373 /nfs/dbraw/zinc/78/73/73/351787373.db2.gz YVNLLHFSFIMZLB-MRVPVSSYSA-N 0 0 243.079 2.372 10 30 BEEERN N#C[C@@]1(CC2CC(F)(F)C2)CCCN1 ZINC000307254623 351789120 /nfs/dbraw/zinc/78/91/20/351789120.db2.gz YDQGFGIELKTCGC-VIFPVBQESA-N 0 0 200.232 2.068 10 30 BEEERN CO/N=C(/C)c1cc(Br)ncc1F ZINC000307299672 351919500 /nfs/dbraw/zinc/91/95/00/351919500.db2.gz VKBKUNFROMZQIL-XGICHPGQSA-N 0 0 247.067 2.354 10 30 BEEERN N#Cc1ccnc2c(Br)c[nH]c21 ZINC000044713028 352384381 /nfs/dbraw/zinc/38/43/81/352384381.db2.gz SQLXNOWCFBCIMO-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN C[C@@H]1OCC[C@H]1NC(=O)c1c[nH]c2ncccc12 ZINC000329059806 538103160 /nfs/dbraw/zinc/10/31/60/538103160.db2.gz YVNBUKPMJDBZOA-GZMMTYOYSA-N 0 0 245.282 2.045 10 30 BEEERN CC[C@H](C#N)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000044825342 352442839 /nfs/dbraw/zinc/44/28/39/352442839.db2.gz KATAWVIAWJPSQU-NXEZZACHSA-N 0 0 220.272 2.315 10 30 BEEERN C[C@]1(Cc2ccco2)CCC[C@H](C=O)O1 ZINC000307366930 352453436 /nfs/dbraw/zinc/45/34/36/352453436.db2.gz NUIAHGIHMSHSPZ-VXGBXAGGSA-N 0 0 208.257 2.349 10 30 BEEERN C[C@@H](C#N)Nc1cnn(Cc2ccccc2)c1 ZINC000307371646 352469210 /nfs/dbraw/zinc/46/92/10/352469210.db2.gz QFTWVAADGHOIDN-NSHDSACASA-N 0 0 226.283 2.255 10 30 BEEERN COC(=O)c1cc(F)cc(C#N)c1Cl ZINC000307383753 352511659 /nfs/dbraw/zinc/51/16/59/352511659.db2.gz IVHNQCWRBKKOMQ-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN C=CCOC(=O)n1c(=O)sc2ccccc21 ZINC000039471995 352587092 /nfs/dbraw/zinc/58/70/92/352587092.db2.gz ABLFNJQELRFOQK-UHFFFAOYSA-N 0 0 235.264 2.234 10 30 BEEERN N#CCc1ccc(F)c(C(F)(F)F)n1 ZINC000307425478 352592554 /nfs/dbraw/zinc/59/25/54/352592554.db2.gz FFXHULZSNHFYFJ-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN Cc1ccc(C#N)cc1OC[C@@]1(C)CO1 ZINC000232317885 352618900 /nfs/dbraw/zinc/61/89/00/352618900.db2.gz CQPKEODBDJNJHH-LBPRGKRZSA-N 0 0 203.241 2.034 10 30 BEEERN C#CC[C@H](O)c1ccc(N)cc1Br ZINC000307465492 352615150 /nfs/dbraw/zinc/61/51/50/352615150.db2.gz DEFKDFOHAAIUSJ-JTQLQIEISA-N 0 0 240.100 2.088 10 30 BEEERN COc1c(F)c(F)c(F)cc1CC#N ZINC000215041714 352566389 /nfs/dbraw/zinc/56/63/89/352566389.db2.gz CXHDWBWLDBEGMM-UHFFFAOYSA-N 0 0 201.147 2.179 10 30 BEEERN CCCCCCOc1ncccc1/C(N)=N/O ZINC000020516265 168672505 /nfs/dbraw/zinc/67/25/05/168672505.db2.gz YDZADVNJSGCDBJ-UHFFFAOYSA-N 0 0 237.303 2.135 10 30 BEEERN CC(C)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000015361573 352644091 /nfs/dbraw/zinc/64/40/91/352644091.db2.gz DIAFGFJHLPTEPU-LLVKDONJSA-N 0 0 246.310 2.098 10 30 BEEERN N#Cc1ccc(Br)nc1OC(F)F ZINC000307564757 352652718 /nfs/dbraw/zinc/65/27/18/352652718.db2.gz ZYNSKAZLJRVBBE-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN CC(C)COC(=O)Nc1ccc(N)cc1C#N ZINC000036744181 187767556 /nfs/dbraw/zinc/76/75/56/187767556.db2.gz QHAFYKLWMFJARB-UHFFFAOYSA-N 0 0 233.271 2.345 10 30 BEEERN COc1ccc([C@@H](C#N)N2CCCCC2)cc1O ZINC000037356942 187768717 /nfs/dbraw/zinc/76/87/17/187768717.db2.gz GNVZTHKHAYFKEV-GFCCVEGCSA-N 0 0 246.310 2.451 10 30 BEEERN CCC[C@@H](C#N)C(=O)N1CCCC[C@H]1C ZINC000044808706 187806741 /nfs/dbraw/zinc/80/67/41/187806741.db2.gz IQUNIIJWNFVQRH-MNOVXSKESA-N 0 0 208.305 2.327 10 30 BEEERN N#Cc1cc(N)cc(F)c1C(F)(F)F ZINC000307631892 352721104 /nfs/dbraw/zinc/72/11/04/352721104.db2.gz ZOPDQGOOSWKHLB-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN N#Cc1ccc(Sc2ccccn2)nc1 ZINC000019846609 187825510 /nfs/dbraw/zinc/82/55/10/187825510.db2.gz WWHUNZLWIJWGHW-UHFFFAOYSA-N 0 0 213.265 2.499 10 30 BEEERN N#C[C@@]1(N)CCSC2(CCCCC2)C1 ZINC000082374006 187827055 /nfs/dbraw/zinc/82/70/55/187827055.db2.gz MKQLONLLKSHKFF-SNVBAGLBSA-N 0 0 210.346 2.437 10 30 BEEERN CC[C@H](S)C(=O)NC1CCCCC1 ZINC000307165997 353058760 /nfs/dbraw/zinc/05/87/60/353058760.db2.gz NVMICOQPBQMTMX-VIFPVBQESA-N 0 0 201.335 2.144 10 30 BEEERN C=CS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000052858499 353117377 /nfs/dbraw/zinc/11/73/77/353117377.db2.gz WOMSFADVQWMAIK-UHFFFAOYSA-N 0 0 227.672 2.129 10 30 BEEERN N/C(=N\O)Nc1cc(Cl)ccc1Cl ZINC000052833402 353109033 /nfs/dbraw/zinc/10/90/33/353109033.db2.gz IDYGGEUNSPWVOW-UHFFFAOYSA-N 0 0 220.059 2.109 10 30 BEEERN N/C(=N\O)Nc1ccc(Cl)cc1Cl ZINC000052833475 353109077 /nfs/dbraw/zinc/10/90/77/353109077.db2.gz KNXSDGPUIVBJRL-UHFFFAOYSA-N 0 0 220.059 2.109 10 30 BEEERN CC1(C)CC(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000334465327 353115060 /nfs/dbraw/zinc/11/50/60/353115060.db2.gz CJFWSTGHIZYEAJ-KOLCDFICSA-N 0 0 220.316 2.231 10 30 BEEERN C=C(Cl)CNc1cnc(Br)cn1 ZINC000307757992 353130691 /nfs/dbraw/zinc/13/06/91/353130691.db2.gz NBCAJTNMIYNAJD-UHFFFAOYSA-N 0 0 248.511 2.404 10 30 BEEERN C=C[C@H](C)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC000229321529 353120077 /nfs/dbraw/zinc/12/00/77/353120077.db2.gz XAASRIUPJMKMDA-YFKPBYRVSA-N 0 0 228.639 2.025 10 30 BEEERN C=C(C(=O)OCC)[C@@H](O)c1ccc(C)cc1C ZINC000019835316 188059111 /nfs/dbraw/zinc/05/91/11/188059111.db2.gz HOTLSRCBBWOWTJ-CYBMUJFWSA-N 0 0 234.295 2.456 10 30 BEEERN Cc1ccc2c(c1)C(=O)/C(=C\N(C)C)C2 ZINC000129385591 538108899 /nfs/dbraw/zinc/10/88/99/538108899.db2.gz LUPZBGHQAYUHAY-FLIBITNWSA-N 0 0 201.269 2.179 10 30 BEEERN N#C[C@H](NC(=O)[C@H]1CCCCC(=O)N1)C1CC1 ZINC000329825516 538109572 /nfs/dbraw/zinc/10/95/72/538109572.db2.gz BZDSYJYYQXBOOO-ZJUUUORDSA-N 0 0 235.287 2.144 10 30 BEEERN C/C(=N\O)c1cccc(NC(=O)C2CC2)c1 ZINC000019513929 188107737 /nfs/dbraw/zinc/10/77/37/188107737.db2.gz IHGQUZOTXWUHFF-RIYZIHGNSA-N 0 0 218.256 2.233 10 30 BEEERN CCC[C@H](C#N)C(=O)NCc1ccccc1 ZINC000034079282 188111175 /nfs/dbraw/zinc/11/11/75/188111175.db2.gz ONKJVNVDCMXMTB-GFCCVEGCSA-N 0 0 216.284 2.243 10 30 BEEERN CC(=O)Nc1cccc(NC[C@H](C)C#N)c1 ZINC000036668911 188112307 /nfs/dbraw/zinc/11/23/07/188112307.db2.gz SBSCZNKOONCGKD-SECBINFHSA-N 0 0 217.272 2.217 10 30 BEEERN COc1ccc([C@@H](C#N)NC[C@H]2CCCO2)cc1 ZINC000037940144 188115842 /nfs/dbraw/zinc/11/58/42/188115842.db2.gz FLECDRRJULASFF-ZIAGYGMSSA-N 0 0 246.310 2.028 10 30 BEEERN CCC1CCC(C#N)(NC(=O)C2CC2)CC1 ZINC000040357042 188118607 /nfs/dbraw/zinc/11/86/07/188118607.db2.gz MLSLJLRZNYOLLV-UHFFFAOYSA-N 0 0 220.316 2.375 10 30 BEEERN N#CCCN(C(=O)Cc1ccc(F)cc1)C1CC1 ZINC000042359304 188119831 /nfs/dbraw/zinc/11/98/31/188119831.db2.gz JWYRRMGRBIIWBM-UHFFFAOYSA-N 0 0 246.285 2.273 10 30 BEEERN CN(CCC#N)c1cc(F)ccc1[N+](=O)[O-] ZINC000052118798 353193186 /nfs/dbraw/zinc/19/31/86/353193186.db2.gz UEHVFLGUCWGYIH-UHFFFAOYSA-N 0 0 223.207 2.084 10 30 BEEERN COc1ccc(OCCCCC#N)c(CO)c1 ZINC000049578720 188124664 /nfs/dbraw/zinc/12/46/64/188124664.db2.gz HBYUYYLXXSRKDX-UHFFFAOYSA-N 0 0 235.283 2.260 10 30 BEEERN N#CCCN(C[C@H]1CCOC1)c1ccccc1 ZINC000049688189 188125801 /nfs/dbraw/zinc/12/58/01/188125801.db2.gz YZRCDAHAGSGPMW-CYBMUJFWSA-N 0 0 230.311 2.443 10 30 BEEERN N#CCCCn1cc(Cl)cc(Cl)c1=O ZINC000057839551 188127784 /nfs/dbraw/zinc/12/77/84/188127784.db2.gz UYYIJUMFEOCUDY-UHFFFAOYSA-N 0 0 231.082 2.459 10 30 BEEERN Cc1cc(C)c(C#N)c(N(C)C(C)C)n1 ZINC000040508857 188132160 /nfs/dbraw/zinc/13/21/60/188132160.db2.gz FPUZZGBMONGSNU-UHFFFAOYSA-N 0 0 203.289 2.415 10 30 BEEERN CSC[C@@H](C)NC(=O)c1ccc(C#N)cc1C ZINC000124264608 188154704 /nfs/dbraw/zinc/15/47/04/188154704.db2.gz NYTIJHNVOWPMOM-SNVBAGLBSA-N 0 0 248.351 2.348 10 30 BEEERN C=CC(=O)Cc1ccc(OC)c(OC)c1 ZINC000002579495 188159236 /nfs/dbraw/zinc/15/92/36/188159236.db2.gz ZUSBCIIDRLREIE-UHFFFAOYSA-N 0 0 206.241 2.001 10 30 BEEERN CC(=O)C=C(O)C=Cc1ccccc1O ZINC000102780406 188160876 /nfs/dbraw/zinc/16/08/76/188160876.db2.gz YIBDOJACBUOPNG-VEQVDCDKSA-N 0 0 204.225 2.436 10 30 BEEERN CN(C)c1ccc(/C=C/C(=O)c2ncc[nH]2)cc1 ZINC000095934434 188147669 /nfs/dbraw/zinc/14/76/69/188147669.db2.gz YRVSGNSAQKCGLH-VMPITWQZSA-N 0 0 241.294 2.372 10 30 BEEERN C=CC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000036449223 538112755 /nfs/dbraw/zinc/11/27/55/538112755.db2.gz SAOQCBPORGPRBG-VIFPVBQESA-N 0 0 225.288 2.141 10 30 BEEERN CC(C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232709729 353253434 /nfs/dbraw/zinc/25/34/34/353253434.db2.gz JGDOTGCKQGMWAC-MRVPVSSYSA-N 0 0 234.259 2.318 10 30 BEEERN Cc1ccccc1SCC[C@H](N)C#N ZINC000062456695 188183988 /nfs/dbraw/zinc/18/39/88/188183988.db2.gz VBVBEXASDSRIAC-JTQLQIEISA-N 0 0 206.314 2.328 10 30 BEEERN C=C[C@@]1(O)CCCc2nc(OCC)ccc21 ZINC000039100528 188216140 /nfs/dbraw/zinc/21/61/40/188216140.db2.gz ILUBZOUODSRQBN-CYBMUJFWSA-N 0 0 219.284 2.190 10 30 BEEERN CCCCOCc1ccc(OC)c(C#CCO)c1 ZINC000049621871 188218815 /nfs/dbraw/zinc/21/88/15/188218815.db2.gz MXPKVHOHJBGUCZ-UHFFFAOYSA-N 0 0 248.322 2.356 10 30 BEEERN O=C(C[C@H]1CCCCO1)C1=COCCC1 ZINC000128016320 353279101 /nfs/dbraw/zinc/27/91/01/353279101.db2.gz LQXGYENRZXVMCB-LLVKDONJSA-N 0 0 210.273 2.209 10 30 BEEERN C=CCN(C)Cc1nc(C2CCCC2)no1 ZINC000127146213 353263138 /nfs/dbraw/zinc/26/31/38/353263138.db2.gz VEFCMQUGWKQDPM-UHFFFAOYSA-N 0 0 221.304 2.345 10 30 BEEERN C=CCN(C)C(=O)[C@H](C)c1ccc(OC)cc1 ZINC000161620299 353289420 /nfs/dbraw/zinc/28/94/20/353289420.db2.gz IJBABBMQIYHUQA-LLVKDONJSA-N 0 0 233.311 2.443 10 30 BEEERN C=C[C@@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061449564 188222730 /nfs/dbraw/zinc/22/27/30/188222730.db2.gz QMKOXUUAAXNBAC-ZWNOBZJWSA-N 0 0 231.295 2.072 10 30 BEEERN CCCn1nccc1CN[C@H]1CCC[C@H]1C#N ZINC000160141431 353299773 /nfs/dbraw/zinc/29/97/73/353299773.db2.gz NPPHZSDLNABRTH-AAEUAGOBSA-N 0 0 232.331 2.075 10 30 BEEERN C#C[C@H](NC)c1cc(Br)ccc1F ZINC000165329144 353305407 /nfs/dbraw/zinc/30/54/07/353305407.db2.gz KHFJOWGJBYDYTK-JTQLQIEISA-N 0 0 242.091 2.482 10 30 BEEERN C=CCCCN(C)C(=O)N[C@@H](CC)COC ZINC000129307116 353314568 /nfs/dbraw/zinc/31/45/68/353314568.db2.gz NVNWXZMRSCCDMW-NSHDSACASA-N 0 0 228.336 2.019 10 30 BEEERN C=CCC(CC=C)C(=O)N(C)[C@H]1CCOC1 ZINC000131635782 353371249 /nfs/dbraw/zinc/37/12/49/353371249.db2.gz BMKZCSKGFYAIAB-LBPRGKRZSA-N 0 0 223.316 2.002 10 30 BEEERN C=CCN(CC=C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000132315457 353377682 /nfs/dbraw/zinc/37/76/82/353377682.db2.gz SJEQTLLDKSEMSX-NSHDSACASA-N 0 0 245.326 2.030 10 30 BEEERN C#Cc1cccc(N(C)C(=O)[C@]2(C)CCCO2)c1 ZINC000132527476 353380093 /nfs/dbraw/zinc/38/00/93/353380093.db2.gz UGAFTUBOPQWVER-HNNXBMFYSA-N 0 0 243.306 2.200 10 30 BEEERN C=C(C(=O)OCC)[C@H](O)c1ccc(C)c(C)c1 ZINC000019835397 188413793 /nfs/dbraw/zinc/41/37/93/188413793.db2.gz VAIOQZLVUMEGJG-ZDUSSCGKSA-N 0 0 234.295 2.456 10 30 BEEERN C=CCCCN(C)C(=O)Cc1cccc(N)c1 ZINC000135961331 353587899 /nfs/dbraw/zinc/58/78/99/353587899.db2.gz MHDSWBNFJUJAMQ-UHFFFAOYSA-N 0 0 232.327 2.236 10 30 BEEERN C#CCOc1cccc(N)c1Br ZINC000218892933 353636967 /nfs/dbraw/zinc/63/69/67/353636967.db2.gz NKLVOYPOLHUYKF-UHFFFAOYSA-N 0 0 226.073 2.043 10 30 BEEERN CC#CCNC(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000136055237 353611259 /nfs/dbraw/zinc/61/12/59/353611259.db2.gz QUJYOPHGBHOJCT-LBPRGKRZSA-N 0 0 245.326 2.197 10 30 BEEERN CC(C)N(CC#N)C(=O)c1ccccc1 ZINC000057491135 188484267 /nfs/dbraw/zinc/48/42/67/188484267.db2.gz JXUAGMVSZRYLKX-UHFFFAOYSA-N 0 0 202.257 2.061 10 30 BEEERN C=C(Br)CN1CC[C@@H]1CC ZINC000292524362 353722150 /nfs/dbraw/zinc/72/21/50/353722150.db2.gz WOCYGDAWNZFFSW-QMMMGPOBSA-N 0 0 204.111 2.379 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000052291837 188482317 /nfs/dbraw/zinc/48/23/17/188482317.db2.gz CEYXPIARZPNZHW-HQJQHLMTSA-N 0 0 217.228 2.287 10 30 BEEERN N#CC1(Nc2ccc(F)cc2)CCOCC1 ZINC000037935931 181030383 /nfs/dbraw/zinc/03/03/83/181030383.db2.gz RDZGFJVJVDBJGE-UHFFFAOYSA-N 0 0 220.247 2.310 10 30 BEEERN N#CC1(NC[C@H]2CCCO2)CCCCCC1 ZINC000037939991 181030860 /nfs/dbraw/zinc/03/08/60/181030860.db2.gz UEKXNRXNHSEHNV-GFCCVEGCSA-N 0 0 222.332 2.372 10 30 BEEERN C#C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000186002089 353863449 /nfs/dbraw/zinc/86/34/49/353863449.db2.gz AXSKJXBUFKDZGH-JMJZKYOTSA-N 0 0 249.260 2.206 10 30 BEEERN N#CC1(NC(=O)COc2ccccc2)CCCC1 ZINC000007168803 181029427 /nfs/dbraw/zinc/02/94/27/181029427.db2.gz OPWZRPMTLQSUNJ-UHFFFAOYSA-N 0 0 244.294 2.018 10 30 BEEERN N#CCNCc1ccc(C(F)(F)F)cc1 ZINC000060572683 181043298 /nfs/dbraw/zinc/04/32/98/181043298.db2.gz RYODVJKNNYZRSC-UHFFFAOYSA-N 0 0 214.190 2.319 10 30 BEEERN N#CC[C@@H](N[C@H]1CCCOC1)c1ccccc1 ZINC000103954947 181045181 /nfs/dbraw/zinc/04/51/81/181045181.db2.gz JNQKAQHYZTVUPY-UONOGXRCSA-N 0 0 230.311 2.410 10 30 BEEERN N#CCc1nnc(Cl)c2ccccc21 ZINC000075603850 181049551 /nfs/dbraw/zinc/04/95/51/181049551.db2.gz ZSEGSONYPCUHIQ-UHFFFAOYSA-N 0 0 203.632 2.349 10 30 BEEERN N#CCc1noc(-c2ccc3ccccc3n2)n1 ZINC000073641420 181050346 /nfs/dbraw/zinc/05/03/46/181050346.db2.gz JKBZWPXIEDXYQV-UHFFFAOYSA-N 0 0 236.234 2.351 10 30 BEEERN N#CCc1noc(CCCc2ccccc2)n1 ZINC000073641447 181050542 /nfs/dbraw/zinc/05/05/42/181050542.db2.gz NMGRPAJGCYOWFE-UHFFFAOYSA-N 0 0 227.267 2.311 10 30 BEEERN N#CCc1noc(-c2ccc(F)c(F)c2)n1 ZINC000073641378 181050642 /nfs/dbraw/zinc/05/06/42/181050642.db2.gz KDMYKJLXDDEIMW-UHFFFAOYSA-N 0 0 221.166 2.081 10 30 BEEERN N#CCc1noc(CC2CCCCC2)n1 ZINC000073641317 181050938 /nfs/dbraw/zinc/05/09/38/181050938.db2.gz ZVSDGAFIJZDHFS-UHFFFAOYSA-N 0 0 205.261 2.258 10 30 BEEERN N#CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000005388531 181052062 /nfs/dbraw/zinc/05/20/62/181052062.db2.gz LYINNHIQBVJFPL-UHFFFAOYSA-N 0 0 245.669 2.087 10 30 BEEERN N#C[C@@H](C(=O)[C@H]1CCCOC1)c1cccc(F)c1 ZINC000062235990 181053990 /nfs/dbraw/zinc/05/39/90/181053990.db2.gz GCDICTXDKLDVDY-WCQYABFASA-N 0 0 247.269 2.429 10 30 BEEERN C#C[C@H](Nc1nccnc1Cl)C(C)C ZINC000301010527 363294663 /nfs/dbraw/zinc/29/46/63/363294663.db2.gz YSOUINJKNLFRIV-QMMMGPOBSA-N 0 0 209.680 2.200 10 30 BEEERN N#C[C@@H](C(=O)[C@@H]1CCOC1)c1ccccc1F ZINC000049671722 181054475 /nfs/dbraw/zinc/05/44/75/181054475.db2.gz NZCZIOCNHPJGKT-MWLCHTKSSA-N 0 0 233.242 2.038 10 30 BEEERN N#C[C@@H](C(=O)[C@H]1CCCOC1)c1ccccc1F ZINC000062236160 181054512 /nfs/dbraw/zinc/05/45/12/181054512.db2.gz CRQSPPGTRYYQBD-CMPLNLGQSA-N 0 0 247.269 2.429 10 30 BEEERN N#C[C@@H](N)CCOc1ccc2c(c1)CCCC2 ZINC000019666697 181056007 /nfs/dbraw/zinc/05/60/07/181056007.db2.gz LEJFESLYIZALQU-ZDUSSCGKSA-N 0 0 230.311 2.185 10 30 BEEERN N#C[C@@H](NC1CC1)c1c(F)cccc1F ZINC000036924870 181056503 /nfs/dbraw/zinc/05/65/03/181056503.db2.gz YCSPGCUAZMIZHQ-SNVBAGLBSA-N 0 0 208.211 2.281 10 30 BEEERN N#C[C@H](CN1CCC2(CCCC2)CC1)NC1CC1 ZINC000062956086 181063327 /nfs/dbraw/zinc/06/33/27/181063327.db2.gz WXGRYCBYDNGGBN-CQSZACIVSA-N 0 0 247.386 2.287 10 30 BEEERN N#C[C@H](CO)Cc1ccc(Cl)s1 ZINC000063064095 181063693 /nfs/dbraw/zinc/06/36/93/181063693.db2.gz XRZPKRLZXLKNRW-ZCFIWIBFSA-N 0 0 201.678 2.076 10 30 BEEERN N#C[C@H](N)CCSc1ccc(F)cc1F ZINC000062451992 181064410 /nfs/dbraw/zinc/06/44/10/181064410.db2.gz PIMBXKLJFAAMJW-MRVPVSSYSA-N 0 0 228.267 2.298 10 30 BEEERN N#C[C@H](N)COc1cc(Cl)cc(Cl)c1 ZINC000019666078 181064560 /nfs/dbraw/zinc/06/45/60/181064560.db2.gz IMFKVCXLLFBSFW-QMMMGPOBSA-N 0 0 231.082 2.223 10 30 BEEERN N#C[C@H](N)CSc1ccccc1Cl ZINC000045363830 181064626 /nfs/dbraw/zinc/06/46/26/181064626.db2.gz PZQSQLIUFQESKS-ZETCQYMHSA-N 0 0 212.705 2.283 10 30 BEEERN N#C[C@H](NC1CC1)c1cc(F)c(F)c(F)c1 ZINC000062711949 181065106 /nfs/dbraw/zinc/06/51/06/181065106.db2.gz PHASRKJQWHIPNP-JTQLQIEISA-N 0 0 226.201 2.421 10 30 BEEERN N#C[C@H](N)COc1cc(Cl)ccc1Cl ZINC000019666060 181065260 /nfs/dbraw/zinc/06/52/60/181065260.db2.gz NHNFDJSOPUQATO-ZETCQYMHSA-N 0 0 231.082 2.223 10 30 BEEERN N#C[C@H](NCc1ccccc1)c1ccncc1 ZINC000019986366 181065553 /nfs/dbraw/zinc/06/55/53/181065553.db2.gz QAUUCOCADKOWSA-AWEZNQCLSA-N 0 0 223.279 2.436 10 30 BEEERN N#C[C@H](NC1CCCC1)c1cccc(O)c1 ZINC000037968486 181065618 /nfs/dbraw/zinc/06/56/18/181065618.db2.gz PXPIWYQIHJJQSU-ZDUSSCGKSA-N 0 0 216.284 2.489 10 30 BEEERN N#C[C@H](NC[C@@H]1CCCO1)C1CCCCC1 ZINC000037939915 181065701 /nfs/dbraw/zinc/06/57/01/181065701.db2.gz QOYXMSUKHOQTKA-STQMWFEESA-N 0 0 222.332 2.227 10 30 BEEERN N#C[C@H](NC[C@H]1CCCO1)c1cccs1 ZINC000041671870 181065705 /nfs/dbraw/zinc/06/57/05/181065705.db2.gz YRAYHNNJJXTVMA-ZJUUUORDSA-N 0 0 222.313 2.081 10 30 BEEERN N#C[C@H](c1cccc(F)c1)N1CCCC1 ZINC000037355589 181066543 /nfs/dbraw/zinc/06/65/43/181066543.db2.gz WOMXMXOWCLKWKJ-GFCCVEGCSA-N 0 0 204.248 2.486 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1ccccc1 ZINC000054822946 181059610 /nfs/dbraw/zinc/05/96/10/181059610.db2.gz PXMWIHRTUGGXMC-STQMWFEESA-N 0 0 200.285 2.468 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000054829760 181060082 /nfs/dbraw/zinc/06/00/82/181060082.db2.gz VOPXOSLUEGOMJH-AAEUAGOBSA-N 0 0 245.282 2.377 10 30 BEEERN N#C[C@@]1(Nc2ccccc2F)CN2CCC1CC2 ZINC000037939023 181063146 /nfs/dbraw/zinc/06/31/46/181063146.db2.gz NCNINGPOFSDDTL-CQSZACIVSA-N 0 0 245.301 2.226 10 30 BEEERN N#Cc1c(Cl)c(C#N)c(C#N)c(Cl)c1C#N ZINC000039201382 181072516 /nfs/dbraw/zinc/07/25/16/181072516.db2.gz KFBDYHUYOSVNFF-UHFFFAOYSA-N 0 0 247.044 2.480 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)cn1 ZINC000335285439 181068455 /nfs/dbraw/zinc/06/84/55/181068455.db2.gz WJGKABGWXBDTBX-SKDRFNHKSA-N 0 0 219.263 2.003 10 30 BEEERN N#C[C@H]1CCC[C@@H]1N[C@H]1COc2cc(O)ccc21 ZINC000061891442 181069104 /nfs/dbraw/zinc/06/91/04/181069104.db2.gz COYCQQZCAUBNQG-ICCXJUOJSA-N 0 0 244.294 2.108 10 30 BEEERN N#C[C@H]1CCC[C@H]1N[C@@H]1COc2cc(O)ccc21 ZINC000061891441 181069921 /nfs/dbraw/zinc/06/99/21/181069921.db2.gz COYCQQZCAUBNQG-OASPWFOLSA-N 0 0 244.294 2.108 10 30 BEEERN N#C[C@H]1C[C@H]2C[C@@H]1N(Cc1ccccc1)C2 ZINC000004321940 181070746 /nfs/dbraw/zinc/07/07/46/181070746.db2.gz HOUVLOCPFWAEHZ-MJBXVCDLSA-N 0 0 212.296 2.421 10 30 BEEERN N#C[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 ZINC000101466306 181070809 /nfs/dbraw/zinc/07/08/09/181070809.db2.gz KVYBNHDQRCKGOO-VXGBXAGGSA-N 0 0 248.257 2.259 10 30 BEEERN N#Cc1cc(-n2cnc3ccccc32)ccn1 ZINC000061815232 181081440 /nfs/dbraw/zinc/08/14/40/181081440.db2.gz ZOMNESWQYPSMPE-UHFFFAOYSA-N 0 0 220.235 2.292 10 30 BEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCC[C@@H]1C ZINC000231034799 363335661 /nfs/dbraw/zinc/33/56/61/363335661.db2.gz RLXUIBANPQDZJC-HBNTYKKESA-N 0 0 208.305 2.231 10 30 BEEERN N#Cc1c(F)cccc1NC1CCC(O)CC1 ZINC000057796980 181076060 /nfs/dbraw/zinc/07/60/60/181076060.db2.gz MICUIVGPXBBQEY-UHFFFAOYSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1c(F)cccc1OCCCCCO ZINC000051020483 181077622 /nfs/dbraw/zinc/07/76/22/181077622.db2.gz ZQIPUXDBGAZYHM-UHFFFAOYSA-N 0 0 223.247 2.239 10 30 BEEERN N#Cc1c2ncccc2[nH]c1N1CCCC1 ZINC000013490315 181078008 /nfs/dbraw/zinc/07/80/08/181078008.db2.gz YHKFYZRAKLMSLI-UHFFFAOYSA-N 0 0 212.256 2.035 10 30 BEEERN N#Cc1cc(Cl)ccc1C(=O)c1cncnc1 ZINC000089224071 181086062 /nfs/dbraw/zinc/08/60/62/181086062.db2.gz PFVNGKYLULJLPF-UHFFFAOYSA-N 0 0 243.653 2.233 10 30 BEEERN N#Cc1cc(F)c(F)cc1OC(F)F ZINC000047203243 181086772 /nfs/dbraw/zinc/08/67/72/181086772.db2.gz KSRVTQCJDQRRDX-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN N#CCCCCN1CCCC[C@H]1c1nc[nH]n1 ZINC000121640172 358485243 /nfs/dbraw/zinc/48/52/43/358485243.db2.gz MEMHBYVDWUWKRA-NSHDSACASA-N 0 0 233.319 2.026 10 30 BEEERN N#Cc1cc(F)c(N[C@H]2CCCOC2)c(F)c1 ZINC000113197540 181087438 /nfs/dbraw/zinc/08/74/38/181087438.db2.gz OMDZYXABOREDQZ-VIFPVBQESA-N 0 0 238.237 2.427 10 30 BEEERN N#Cc1ccc(-c2cccc(F)c2)nc1N ZINC000050871250 181095127 /nfs/dbraw/zinc/09/51/27/181095127.db2.gz QJLVFJLXTLFDMZ-UHFFFAOYSA-N 0 0 213.215 2.342 10 30 BEEERN N#Cc1ccc(-c2cc(N)cc(Cl)n2)nc1 ZINC000072204307 181095529 /nfs/dbraw/zinc/09/55/29/181095529.db2.gz LRIFSBMRENPCJK-UHFFFAOYSA-N 0 0 230.658 2.251 10 30 BEEERN N#Cc1cc(N)ccc1Oc1ccncc1 ZINC000042410867 181089414 /nfs/dbraw/zinc/08/94/14/181089414.db2.gz ZDLOGOPHFGCKEL-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1cc(N)cnc1NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104251217 181089624 /nfs/dbraw/zinc/08/96/24/181089624.db2.gz QZIBAUNKXJQJOC-HOSYDEDBSA-N 0 0 242.326 2.384 10 30 BEEERN N#Cc1cc(N)cnc1SCc1ccco1 ZINC000037759437 181089846 /nfs/dbraw/zinc/08/98/46/181089846.db2.gz RDRPBSWXFJLVLS-UHFFFAOYSA-N 0 0 231.280 2.421 10 30 BEEERN N#Cc1cc(N[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000131765395 181091455 /nfs/dbraw/zinc/09/14/55/181091455.db2.gz HUXZRSRSHFGJSS-LLVKDONJSA-N 0 0 247.254 2.057 10 30 BEEERN N#Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000034585987 181091981 /nfs/dbraw/zinc/09/19/81/181091981.db2.gz GRUGPNATXLNGRC-UHFFFAOYSA-N 0 0 204.616 2.465 10 30 BEEERN N#Cc1ccc(Br)c2cncnc12 ZINC000095835583 181096900 /nfs/dbraw/zinc/09/69/00/181096900.db2.gz JSWVSPDINVTLGF-UHFFFAOYSA-N 0 0 234.056 2.264 10 30 BEEERN N#Cc1ccc(Br)cc1CC=O ZINC000071257294 181096904 /nfs/dbraw/zinc/09/69/04/181096904.db2.gz NDUKOBYFWNIQMW-UHFFFAOYSA-N 0 0 224.057 2.062 10 30 BEEERN C[C@@H](Oc1cc(C#N)ccc1N)C(F)(F)F ZINC000130573407 363365380 /nfs/dbraw/zinc/36/53/80/363365380.db2.gz ZYDSOEDYTBDKTC-ZCFIWIBFSA-N 0 0 230.189 2.470 10 30 BEEERN N#Cc1ccc(C[C@@H]2COCC[C@H]2S)cc1 ZINC000095078958 181110945 /nfs/dbraw/zinc/11/09/45/181110945.db2.gz NLJZLAJWCNBYTB-CHWSQXEVSA-N 0 0 233.336 2.436 10 30 BEEERN O=CCc1ccccc1I ZINC000032299211 354379926 /nfs/dbraw/zinc/37/99/26/354379926.db2.gz ZMOIBLKIUKDUFP-UHFFFAOYSA-N 0 0 246.047 2.033 10 30 BEEERN N#Cc1ccc(N2CC[C@H]3CCCC[C@H]32)nn1 ZINC000302001109 181116325 /nfs/dbraw/zinc/11/63/25/181116325.db2.gz QHVKQPZXPYFSQU-ZYHUDNBSSA-N 0 0 228.299 2.117 10 30 BEEERN N#Cc1ccc(NCc2nccs2)c(N)c1 ZINC000041012240 181124319 /nfs/dbraw/zinc/12/43/19/181124319.db2.gz VUCYQNPUGYSXHP-UHFFFAOYSA-N 0 0 230.296 2.209 10 30 BEEERN N#Cc1ccc(NCc2csnn2)cc1 ZINC000036901942 181124617 /nfs/dbraw/zinc/12/46/17/181124617.db2.gz DCXDQJLAVSILPX-UHFFFAOYSA-N 0 0 216.269 2.022 10 30 BEEERN N#Cc1ccc(Nc2ccc(N)cn2)cc1 ZINC000008418591 181126847 /nfs/dbraw/zinc/12/68/47/181126847.db2.gz VGCJEOLYUPOWLM-UHFFFAOYSA-N 0 0 210.240 2.279 10 30 BEEERN N#Cc1ccc([C@@H](C#N)NCC(F)(F)F)cc1 ZINC000037971017 181130232 /nfs/dbraw/zinc/13/02/32/181130232.db2.gz OTGUONYQMFJXJF-SNVBAGLBSA-N 0 0 239.200 2.275 10 30 BEEERN N#Cc1ccc(Sc2nc[nH]n2)c(Cl)c1 ZINC000062794116 181130378 /nfs/dbraw/zinc/13/03/78/181130378.db2.gz ZILXKCMAMVTSNQ-UHFFFAOYSA-N 0 0 236.687 2.481 10 30 BEEERN N#Cc1ccc([C@@H]2CCc3cncn32)cc1 ZINC000013820315 181130680 /nfs/dbraw/zinc/13/06/80/181130680.db2.gz OFLKLQLYJBMZHE-ZDUSSCGKSA-N 0 0 209.252 2.290 10 30 BEEERN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCOC2)c1 ZINC000130669927 181131285 /nfs/dbraw/zinc/13/12/85/181131285.db2.gz CIXYEYZQAYPOFA-SNVBAGLBSA-N 0 0 247.254 2.057 10 30 BEEERN N#Cc1cccc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000054825644 181137674 /nfs/dbraw/zinc/13/76/74/181137674.db2.gz JTZVTPRAMPJBBC-KBPBESRZSA-N 0 0 225.295 2.340 10 30 BEEERN N#Cc1ccccc1CN1CCCCCC1=O ZINC000019437282 181145688 /nfs/dbraw/zinc/14/56/88/181145688.db2.gz TYANSUUQRFUYRK-UHFFFAOYSA-N 0 0 228.295 2.461 10 30 BEEERN N#Cc1cccc(Nc2ncc(N)cc2C#N)c1 ZINC000037758990 181142730 /nfs/dbraw/zinc/14/27/30/181142730.db2.gz CCZQJADARGBFEP-UHFFFAOYSA-N 0 0 235.250 2.151 10 30 BEEERN N#Cc1ccccc1C[N@@H+]1CCCSCC1 ZINC000042443868 181145130 /nfs/dbraw/zinc/14/51/30/181145130.db2.gz WJMRVXQKOYHYBU-UHFFFAOYSA-N 0 0 232.352 2.497 10 30 BEEERN N#Cc1ccccc1NCCCn1ccnc1 ZINC000020358813 181147831 /nfs/dbraw/zinc/14/78/31/181147831.db2.gz WZONXVLBQJPTJC-UHFFFAOYSA-N 0 0 226.283 2.257 10 30 BEEERN N#Cc1ccccc1NC[C@H]1CCCOC1 ZINC000038046457 181148293 /nfs/dbraw/zinc/14/82/93/181148293.db2.gz JZYUOHRQISSQDG-LLVKDONJSA-N 0 0 216.284 2.397 10 30 BEEERN C=CC(C)(C)C(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000335097948 354638250 /nfs/dbraw/zinc/63/82/50/354638250.db2.gz DWUGQMNLBJAQLO-RYUDHWBXSA-N 0 0 249.354 2.226 10 30 BEEERN C=CC(C)(C)C(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000335097946 354638258 /nfs/dbraw/zinc/63/82/58/354638258.db2.gz DWUGQMNLBJAQLO-NEPJUHHUSA-N 0 0 249.354 2.226 10 30 BEEERN N#Cc1ccccc1N[C@H]1CCCC[C@H]1O ZINC000037691218 181148997 /nfs/dbraw/zinc/14/89/97/181148997.db2.gz SUKZTPCPZXDASQ-QWHCGFSZSA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1ccccc1NCc1csnn1 ZINC000036901924 181149235 /nfs/dbraw/zinc/14/92/35/181149235.db2.gz SXJQZBQCFGCWHC-UHFFFAOYSA-N 0 0 216.269 2.022 10 30 BEEERN N#Cc1cccnc1N(CC(F)(F)F)C1CC1 ZINC000042780584 181150795 /nfs/dbraw/zinc/15/07/95/181150795.db2.gz CVMWSCNWMKXBJM-UHFFFAOYSA-N 0 0 241.216 2.484 10 30 BEEERN C=CCNC1(c2noc(CC)n2)CCCC1 ZINC000173698769 166396939 /nfs/dbraw/zinc/39/69/39/166396939.db2.gz SEDJQFMWPHRRTP-UHFFFAOYSA-N 0 0 221.304 2.177 10 30 BEEERN N#Cc1cccnc1NCc1cccc(N)c1 ZINC000052926049 181153515 /nfs/dbraw/zinc/15/35/15/181153515.db2.gz INWDJJHQWBONHH-UHFFFAOYSA-N 0 0 224.267 2.148 10 30 BEEERN N#Cc1cccnc1OCC(F)(F)C(F)F ZINC000020518152 181153756 /nfs/dbraw/zinc/15/37/56/181153756.db2.gz GZTWIIFAPNUUCA-UHFFFAOYSA-N 0 0 234.152 2.232 10 30 BEEERN N#Cc1cnc(-c2ccc(Cl)cn2)cn1 ZINC000072204275 181161382 /nfs/dbraw/zinc/16/13/82/181161382.db2.gz WYEMFIJZMKFDOV-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#Cc1cncc(-c2n[nH]c3ccc(N)cc32)c1 ZINC000091366248 181164136 /nfs/dbraw/zinc/16/41/36/181164136.db2.gz FGDMCCGXBOCYGM-UHFFFAOYSA-N 0 0 235.250 2.079 10 30 BEEERN N#Cc1cncc(-c2ccc(Cl)cn2)n1 ZINC000072204270 181164144 /nfs/dbraw/zinc/16/41/44/181164144.db2.gz FNKMJTCQRGFSLP-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#Cc1nc2c(o1)NC[C@H](c1ccccc1)C2 ZINC000071791205 181169096 /nfs/dbraw/zinc/16/90/96/181169096.db2.gz AHJDSTJXUBESNO-SNVBAGLBSA-N 0 0 225.251 2.298 10 30 BEEERN N#Cc1nc(Nc2ccccc2)sc1N ZINC000001400265 181169862 /nfs/dbraw/zinc/16/98/62/181169862.db2.gz WWZBQMSVWXDHDE-UHFFFAOYSA-N 0 0 216.269 2.341 10 30 BEEERN N#Cc1ncccc1COc1cc(F)ccc1N ZINC000061656303 181170857 /nfs/dbraw/zinc/17/08/57/181170857.db2.gz PLZZFYZTIUFROR-UHFFFAOYSA-N 0 0 243.241 2.254 10 30 BEEERN N#Cc1ncccc1OCCC(F)(F)F ZINC000211198844 181171718 /nfs/dbraw/zinc/17/17/18/181171718.db2.gz AZMZVECMLFCRJD-UHFFFAOYSA-N 0 0 216.162 2.284 10 30 BEEERN N#Cc1nccnc1N[C@H]1C[C@@H]1c1ccccc1 ZINC000054378171 181175479 /nfs/dbraw/zinc/17/54/79/181175479.db2.gz SWIJVNFVEMESCT-NEPJUHHUSA-N 0 0 236.278 2.316 10 30 BEEERN N/C(=N/O)c1ccc(OC2CCCCC2)cc1 ZINC000019866121 181180402 /nfs/dbraw/zinc/18/04/02/181180402.db2.gz PHAHLGTVSOWCHC-UHFFFAOYSA-N 0 0 234.299 2.493 10 30 BEEERN N/C(CCCSc1cccs1)=N\O ZINC000020078213 181182009 /nfs/dbraw/zinc/18/20/09/181182009.db2.gz GXHBESMYUCNSFU-UHFFFAOYSA-N 0 0 216.331 2.367 10 30 BEEERN N/C(CCSc1ccccc1F)=N\O ZINC000019847767 181182565 /nfs/dbraw/zinc/18/25/65/181182565.db2.gz RBYKVYBKMYPLEZ-UHFFFAOYSA-N 0 0 214.265 2.054 10 30 BEEERN N/C(CCSc1ccc(F)cc1)=N\O ZINC000019847816 181183003 /nfs/dbraw/zinc/18/30/03/181183003.db2.gz UXZPBZZQWULYHW-UHFFFAOYSA-N 0 0 214.265 2.054 10 30 BEEERN C=CC[NH2+][C@]1(C(=O)[O-])C[C@@H](C)CC(C)(C)C1 ZINC000041732092 166408361 /nfs/dbraw/zinc/40/83/61/166408361.db2.gz XZVLENWEFORXMF-GXFFZTMASA-N 0 0 225.332 2.432 10 30 BEEERN C#CC(=O)c1ncccc1NC(=O)OC(C)(C)C ZINC000405993088 355576960 /nfs/dbraw/zinc/57/69/60/355576960.db2.gz TWIMDYYJXGAISC-UHFFFAOYSA-N 0 0 246.266 2.245 10 30 BEEERN C=C(C)CNc1ncc(N)cc1Br ZINC000160291909 355860834 /nfs/dbraw/zinc/86/08/34/355860834.db2.gz OATVBLRNORHWRK-UHFFFAOYSA-N 0 0 242.120 2.414 10 30 BEEERN C#C[C@@H](O)c1ccc(C)cc1Br ZINC000129685879 355871473 /nfs/dbraw/zinc/87/14/73/355871473.db2.gz USEDESKOEOMBFL-SNVBAGLBSA-N 0 0 225.085 2.424 10 30 BEEERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCCO2)o1 ZINC000329468054 355923252 /nfs/dbraw/zinc/92/32/52/355923252.db2.gz XBMABABTAVGSGR-IUCAKERBSA-N 0 0 224.260 2.180 10 30 BEEERN Cc1cnc(NC(=O)[C@@H]2CC[C@@H](C)O2)o1 ZINC000330110815 356171968 /nfs/dbraw/zinc/17/19/68/356171968.db2.gz QTNZVGPTFKCRGF-SVRRBLITSA-N 0 0 210.233 2.139 10 30 BEEERN C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000329866307 356136536 /nfs/dbraw/zinc/13/65/36/356136536.db2.gz AYLOPDLPEGSGDO-GUBZILKMSA-N 0 0 240.303 2.019 10 30 BEEERN C[C@@]1(N(O)C=C2C=CC(=O)C=C2)CCCCC1=O ZINC000006130007 356413997 /nfs/dbraw/zinc/41/39/97/356413997.db2.gz FCQWGKIGPFMUDC-CQSZACIVSA-N 0 0 247.294 2.158 10 30 BEEERN Cc1nnsc1CN[C@H]1CCCC[C@@H]1C#N ZINC000384211391 356480741 /nfs/dbraw/zinc/48/07/41/356480741.db2.gz CNBLUKGCKNMDIQ-ZJUUUORDSA-N 0 0 236.344 2.019 10 30 BEEERN Cc1nnsc1CN[C@H]1CCCC[C@H]1C#N ZINC000384211371 356481342 /nfs/dbraw/zinc/48/13/42/356481342.db2.gz CNBLUKGCKNMDIQ-UWVGGRQHSA-N 0 0 236.344 2.019 10 30 BEEERN CC[C@H]1[C@H](C)CCN1C(=NC#N)SC ZINC000384309965 356583747 /nfs/dbraw/zinc/58/37/47/356583747.db2.gz FEKBKBXACYUBBO-BDAKNGLRSA-N 0 0 211.334 2.307 10 30 BEEERN CCC1(C)CN(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000336508432 134148810 /nfs/dbraw/zinc/14/88/10/134148810.db2.gz HPKJDJPUQULVKM-WDEREUQCSA-N 0 0 235.331 2.120 10 30 BEEERN N#Cc1cc2c(F)ccc(F)c2[nH]c1=O ZINC000675068155 538496005 /nfs/dbraw/zinc/49/60/05/538496005.db2.gz ULGZFMVIICKSEY-UHFFFAOYSA-N 0 0 206.151 2.090 10 30 BEEERN COc1nscc1-c1ccc(C#N)c(F)n1 ZINC000675059882 538486258 /nfs/dbraw/zinc/48/62/58/538486258.db2.gz WZVWFWMXNLDEHF-UHFFFAOYSA-N 0 0 235.243 2.224 10 30 BEEERN CCC[C@@H](C#N)NC(=O)Cc1ccccc1 ZINC000040352793 356652084 /nfs/dbraw/zinc/65/20/84/356652084.db2.gz CZUIVQVAMUDCCZ-LBPRGKRZSA-N 0 0 216.284 2.038 10 30 BEEERN CC[C@@H]1CCc2c(C#N)c(N)ncc2C1 ZINC000675063845 538490620 /nfs/dbraw/zinc/49/06/20/538490620.db2.gz PXJONMNRXFGUHM-MRVPVSSYSA-N 0 0 201.273 2.050 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1cccc([N+](=O)[O-])c1 ZINC000675077848 538513648 /nfs/dbraw/zinc/51/36/48/538513648.db2.gz JGOFDKWBYQBXLO-UHFFFAOYSA-N 0 0 247.250 2.288 10 30 BEEERN C#Cc1ccccc1NC(=O)NCC(C)C ZINC000675078916 538518286 /nfs/dbraw/zinc/51/82/86/538518286.db2.gz NNJMKNZIHJLGHR-UHFFFAOYSA-N 0 0 216.284 2.445 10 30 BEEERN COC(=O)[C@H]1O[C@@]1(C)c1ccc(F)cc1Cl ZINC000085657642 538543853 /nfs/dbraw/zinc/54/38/53/538543853.db2.gz MICFZQLAJXVRAA-KOLCDFICSA-N 0 0 244.649 2.266 10 30 BEEERN CCCC[C@]1(CC)O[C@]1(C)C(=O)OC ZINC000085658138 538546328 /nfs/dbraw/zinc/54/63/28/538546328.db2.gz WJSQEBBVJMXUFW-MNOVXSKESA-N 0 0 200.278 2.287 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@]12CCC[C@@H]2C ZINC000086166177 538551830 /nfs/dbraw/zinc/55/18/30/538551830.db2.gz MXIFDOKLEJLRJY-DLOVCJGASA-N 0 0 212.289 2.287 10 30 BEEERN CN(C)/C=C/C(=O)c1ccc(Br)o1 ZINC000131800753 538597104 /nfs/dbraw/zinc/59/71/04/538597104.db2.gz HHBYNFARFKWHLI-AATRIKPKSA-N 0 0 244.088 2.300 10 30 BEEERN C=CC1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000130606080 325072025 /nfs/dbraw/zinc/07/20/25/325072025.db2.gz NEYZQDITUMZAOU-NSHDSACASA-N 0 0 207.317 2.457 10 30 BEEERN CCn1ccnc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000385257178 357034885 /nfs/dbraw/zinc/03/48/85/357034885.db2.gz XBAWUUDPTMFJGU-VXGBXAGGSA-N 0 0 232.331 2.075 10 30 BEEERN O=CCOc1cc(Br)ccc1F ZINC000160501528 357016380 /nfs/dbraw/zinc/01/63/80/357016380.db2.gz SHNKQPWIPHOBLY-UHFFFAOYSA-N 0 0 233.036 2.166 10 30 BEEERN C[Si](C)(C)C#Cc1ccc(C#N)cn1 ZINC000223924160 357159447 /nfs/dbraw/zinc/15/94/47/357159447.db2.gz GGKISZDHOCHRKK-UHFFFAOYSA-N 0 0 200.317 2.182 10 30 BEEERN OCCC#Cc1cccc(Br)c1 ZINC000137694433 357242513 /nfs/dbraw/zinc/24/25/13/357242513.db2.gz ABGHMZVWYXWNIC-UHFFFAOYSA-N 0 0 225.085 2.183 10 30 BEEERN N#C[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000079809407 363581911 /nfs/dbraw/zinc/58/19/11/363581911.db2.gz OAUXEZWEPGVQEV-LBPRGKRZSA-N 0 0 214.268 2.205 10 30 BEEERN N#Cc1cc(F)ccc1N[C@H]1CCC[C@@H](O)C1 ZINC000610273786 357406744 /nfs/dbraw/zinc/40/67/44/357406744.db2.gz JDFITUDRDPTEPM-NWDGAFQWSA-N 0 0 234.274 2.413 10 30 BEEERN CC(C)(C)OC(=O)N[C@H](CC#N)C(F)F ZINC000261339227 538860023 /nfs/dbraw/zinc/86/00/23/538860023.db2.gz FYCQFWJAWQFTSA-ZCFIWIBFSA-N 0 0 220.219 2.058 10 30 BEEERN CC(C)(C)OC(=O)N1C[C@@H](C=O)C2(CCC2)C1 ZINC000685945594 538887122 /nfs/dbraw/zinc/88/71/22/538887122.db2.gz CKAGOARDBBIMIJ-JTQLQIEISA-N 0 0 239.315 2.223 10 30 BEEERN C=CCNC(=O)N(CC1CC1)CC1CC1 ZINC000115641900 134215892 /nfs/dbraw/zinc/21/58/92/134215892.db2.gz XWIYECCSOFMSCM-UHFFFAOYSA-N 0 0 208.305 2.004 10 30 BEEERN CCc1occc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000234173032 357776960 /nfs/dbraw/zinc/77/69/60/357776960.db2.gz LMCOUCJFEMGOFI-KOLCDFICSA-N 0 0 232.283 2.264 10 30 BEEERN C[C@H](N=C(NC#N)Nc1cccnc1)C(C)(C)C ZINC000018175540 357816790 /nfs/dbraw/zinc/81/67/90/357816790.db2.gz YJCUMRGFIIKHFP-JTQLQIEISA-N 0 0 245.330 2.355 10 30 BEEERN C=CCCS(=O)(=O)N1C[C@H](C)CC[C@H]1C ZINC000121127744 134231709 /nfs/dbraw/zinc/23/17/09/134231709.db2.gz LEJKKZSTISOJGA-GHMZBOCLSA-N 0 0 231.361 2.013 10 30 BEEERN CO[C@@H](C)C#Cc1ccc(Br)cn1 ZINC000137893399 358016894 /nfs/dbraw/zinc/01/68/94/358016894.db2.gz FICLHKYLKHUJLD-QMMMGPOBSA-N 0 0 240.100 2.231 10 30 BEEERN Fc1ccc(F)c(SC[C@H]2CO2)c1 ZINC000035676325 358094543 /nfs/dbraw/zinc/09/45/43/358094543.db2.gz XDCFCQFVXMSNLE-SSDOTTSWSA-N 0 0 202.225 2.456 10 30 BEEERN CC[C@@H](C)[C@H](C#N)NC(=O)OC(C)(C)C ZINC000039093713 358214861 /nfs/dbraw/zinc/21/48/61/358214861.db2.gz FZTVKXQXWQJUTR-BDAKNGLRSA-N 0 0 212.293 2.449 10 30 BEEERN CC(C)(C)S(=O)(=O)/N=C1\C=CCCC1 ZINC000584611786 358275538 /nfs/dbraw/zinc/27/55/38/358275538.db2.gz TTXMRZSUAZBVTE-PKNBQFBNSA-N 0 0 215.318 2.296 10 30 BEEERN CCOC(=O)COc1ccc(C#N)cc1C1CC1 ZINC000584591394 358249585 /nfs/dbraw/zinc/24/95/85/358249585.db2.gz UVRGPKNPOITJQG-UHFFFAOYSA-N 0 0 245.278 2.378 10 30 BEEERN Cc1cc(C(F)(F)F)ccc1C(N)=NO ZINC000584595024 358251989 /nfs/dbraw/zinc/25/19/89/358251989.db2.gz SROXQWNJCYCGDB-UHFFFAOYSA-N 0 0 218.178 2.108 10 30 BEEERN COc1c(C)c(OC)c(OC)c(C)c1CC#N ZINC000584595571 358253255 /nfs/dbraw/zinc/25/32/55/358253255.db2.gz LVDMZFJFZKQABK-UHFFFAOYSA-N 0 0 235.283 2.395 10 30 BEEERN C#C[C@@](O)(C(CC)CC)C1(C#N)CCC1 ZINC000584600613 358257004 /nfs/dbraw/zinc/25/70/04/358257004.db2.gz UCDBVJYVUOCNOQ-CYBMUJFWSA-N 0 0 205.301 2.481 10 30 BEEERN C#C[C@](OC(C)=O)(C(C)C)C1(C#N)CCC1 ZINC000584600644 358257046 /nfs/dbraw/zinc/25/70/46/358257046.db2.gz VKLJQZWRGDBMOU-ZDUSSCGKSA-N 0 0 219.284 2.271 10 30 BEEERN C#C[C@@](O)(c1ccccc1)C1(C#N)CCC1 ZINC000584600694 358257801 /nfs/dbraw/zinc/25/78/01/358257801.db2.gz WZMTWXXVTWXZGP-CQSZACIVSA-N 0 0 211.264 2.201 10 30 BEEERN CCOC(=O)C(F)(F)C#Cc1ccccc1 ZINC000584603351 358262045 /nfs/dbraw/zinc/26/20/45/358262045.db2.gz ZCPGKDIANJBQFM-UHFFFAOYSA-N 0 0 224.206 2.237 10 30 BEEERN Cc1cccc(OC[C@H](C)NC=NC#N)c1C ZINC000584605531 358264649 /nfs/dbraw/zinc/26/46/49/358264649.db2.gz XHVOODQIHYJOBU-NSHDSACASA-N 0 0 231.299 2.170 10 30 BEEERN CC(=O)C1=C(C)OC[C@H]1c1ccccn1 ZINC000584615783 358280484 /nfs/dbraw/zinc/28/04/84/358280484.db2.gz SSUUEODWOYUQAD-JTQLQIEISA-N 0 0 203.241 2.058 10 30 BEEERN N#CCC(=O)OCc1cc2ccccc2[nH]1 ZINC000584607187 358267333 /nfs/dbraw/zinc/26/73/33/358267333.db2.gz GDFCRYCRTCLQJR-UHFFFAOYSA-N 0 0 214.224 2.125 10 30 BEEERN Cc1ccccc1[C@@H](C[N+](=O)[O-])[C@@H](C)C=O ZINC000584608044 358268613 /nfs/dbraw/zinc/26/86/13/358268613.db2.gz INZNFJCGUIGDKD-JQWIXIFHSA-N 0 0 221.256 2.190 10 30 BEEERN COc1ccc2[n-]cc([S+](C)C)c2c1 ZINC000584609438 358270577 /nfs/dbraw/zinc/27/05/77/358270577.db2.gz MVMZSOOKIWRPQV-UHFFFAOYSA-N 0 0 208.306 2.413 10 30 BEEERN C=CC[C@H]([C@@H](O)CCCCC)[N+](=O)[O-] ZINC000584609190 358270728 /nfs/dbraw/zinc/27/07/28/358270728.db2.gz PIBBVLLDMUPAPK-ZJUUUORDSA-N 0 0 201.266 2.149 10 30 BEEERN C=C[C@@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000584610356 358273162 /nfs/dbraw/zinc/27/31/62/358273162.db2.gz CNHCZOSCOMWVFU-LLVKDONJSA-N 0 0 221.212 2.385 10 30 BEEERN CC1(C)c2ccc(C#N)cc2N(C2CC2)C1=O ZINC000584619664 358286414 /nfs/dbraw/zinc/28/64/14/358286414.db2.gz XVFGIKYMRBLSCP-UHFFFAOYSA-N 0 0 226.279 2.345 10 30 BEEERN CC/C=C(/OS(C)(=O)=O)c1ccccc1 ZINC000584620579 358287477 /nfs/dbraw/zinc/28/74/77/358287477.db2.gz JLWHFZHFUNEQKK-YRNVUSSQSA-N 0 0 226.297 2.414 10 30 BEEERN C=CC[C@@H](C)[C@H](CCCC)S(N)(=O)=O ZINC000584620316 358287602 /nfs/dbraw/zinc/28/76/02/358287602.db2.gz GIBPHHIZTXNONB-ZJUUUORDSA-N 0 0 219.350 2.046 10 30 BEEERN Cc1ccc(OC[C@@H](C#N)CC#N)cc1 ZINC000584621684 358289405 /nfs/dbraw/zinc/28/94/05/358289405.db2.gz KITUXMDOAUVFTR-LLVKDONJSA-N 0 0 200.241 2.427 10 30 BEEERN COCc1ccc2c(c1)CC[C@H](C#N)C2 ZINC000584626384 358295805 /nfs/dbraw/zinc/29/58/05/358295805.db2.gz ZWOXPXFQNKFJSN-JTQLQIEISA-N 0 0 201.269 2.461 10 30 BEEERN C=CC[C@H](Cc1ccccc1)N(C)C1=NCCO1 ZINC000584627131 358296648 /nfs/dbraw/zinc/29/66/48/358296648.db2.gz NLZSJCFXRQLQQA-CQSZACIVSA-N 0 0 244.338 2.492 10 30 BEEERN CC(C)N=C(CC(F)F)C(=O)C(F)F ZINC000584627050 358296653 /nfs/dbraw/zinc/29/66/53/358296653.db2.gz HHBBMUGAISGKHH-ACAGNQJTSA-N 0 0 213.174 2.325 10 30 BEEERN CC[C@@]1(/N=C/c2ccccc2)CCCNC1=O ZINC000584627578 358297033 /nfs/dbraw/zinc/29/70/33/358297033.db2.gz YHPBZZMODAADPJ-DSQDWWTGSA-N 0 0 230.311 2.164 10 30 BEEERN N#Cc1cc(N2CCC(F)(F)CC2)c(F)cn1 ZINC000584628698 358298185 /nfs/dbraw/zinc/29/81/85/358298185.db2.gz OQCSXFWVNVORNS-UHFFFAOYSA-N 0 0 241.216 2.328 10 30 BEEERN C#CCN(C(=O)CC)c1ccccc1OC ZINC000584651369 358306241 /nfs/dbraw/zinc/30/62/41/358306241.db2.gz HBTINLIRRDORRA-UHFFFAOYSA-N 0 0 217.268 2.071 10 30 BEEERN C#CCOC[C@H]1O[C@H]1c1ccc(Cl)cc1 ZINC000584656948 358308699 /nfs/dbraw/zinc/30/86/99/358308699.db2.gz MCILUJVUIYQETH-NEPJUHHUSA-N 0 0 222.671 2.430 10 30 BEEERN CCOC(=O)[C@@H](C#N)[C@@H]1CCc2ccccc21 ZINC000584618838 358284828 /nfs/dbraw/zinc/28/48/28/358284828.db2.gz XTJOHRNGGGGAIK-OLZOCXBDSA-N 0 0 229.279 2.419 10 30 BEEERN Cc1ccc(S(=O)(=O)O[C@H]2C[C@H](F)C2)cc1 ZINC000584644174 358329360 /nfs/dbraw/zinc/32/93/60/358329360.db2.gz HOUHSGZMRPVHPZ-MGCOHNPYSA-N 0 0 244.287 2.201 10 30 BEEERN CS(=O)(=O)O[C@H]1CC[C@H](C(F)(F)F)CC1 ZINC000584647113 358331536 /nfs/dbraw/zinc/33/15/36/358331536.db2.gz YQENJXKMIZGHRL-LJGSYFOKSA-N 0 0 246.250 2.084 10 30 BEEERN C=CCN1CC[C@@H](O)c2ccc(OC)cc21 ZINC000584637439 358322804 /nfs/dbraw/zinc/32/28/04/358322804.db2.gz ORHSAUIBTSABNU-CYBMUJFWSA-N 0 0 219.284 2.125 10 30 BEEERN CCC[C@H]1C[C@@H]1NC(=O)C1(C#N)CC(C)C1 ZINC000229623537 358405642 /nfs/dbraw/zinc/40/56/42/358405642.db2.gz CZYUTIJDCDYUFG-ZRZGDYATSA-N 0 0 220.316 2.231 10 30 BEEERN C=C[C@H](C)NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000128426290 358575203 /nfs/dbraw/zinc/57/52/03/358575203.db2.gz KFGZOSRHIQBZDI-DCAQKATOSA-N 0 0 210.321 2.391 10 30 BEEERN C[C@@H](S)C(=O)N1CCSC(C)(C)CC1 ZINC000231070123 358649235 /nfs/dbraw/zinc/64/92/35/358649235.db2.gz ASGAPCPDKKTLMJ-MRVPVSSYSA-N 0 0 233.402 2.049 10 30 BEEERN CC1(C)CCN(C(=O)CCS)CCS1 ZINC000231070119 358649316 /nfs/dbraw/zinc/64/93/16/358649316.db2.gz SAKVDWDUKMGUIT-UHFFFAOYSA-N 0 0 233.402 2.050 10 30 BEEERN C=CCCC[C@@H](C)NC(=O)CCc1ccnn1C ZINC000131473612 358677677 /nfs/dbraw/zinc/67/76/77/358677677.db2.gz ORMISEWUNOFQSE-GFCCVEGCSA-N 0 0 249.358 2.214 10 30 BEEERN C#CCN(C)c1ccc(Cl)cc1C#N ZINC000130179491 358691975 /nfs/dbraw/zinc/69/19/75/358691975.db2.gz LIPJFTUEACIYLC-UHFFFAOYSA-N 0 0 204.660 2.281 10 30 BEEERN CCc1cnc(CN[C@H]2CCC[C@H]2C#N)s1 ZINC000132444033 358723282 /nfs/dbraw/zinc/72/32/82/358723282.db2.gz AKBIMBBVDFWJGD-ONGXEEELSA-N 0 0 235.356 2.487 10 30 BEEERN CCc1nc(CN[C@@H]2CCC[C@H]2C#N)cs1 ZINC000132443133 358723390 /nfs/dbraw/zinc/72/33/90/358723390.db2.gz IFBZCXINVRQSON-GXSJLCMTSA-N 0 0 235.356 2.487 10 30 BEEERN Cc1ccc(CCC(=O)N[C@@H](C)CC#N)cc1 ZINC000052945870 358801893 /nfs/dbraw/zinc/80/18/93/358801893.db2.gz ASRYBCQUWURYSW-LBPRGKRZSA-N 0 0 230.311 2.346 10 30 BEEERN C=CCCCN(C)c1nc(C(=O)OCC)co1 ZINC000135981223 358858449 /nfs/dbraw/zinc/85/84/49/358858449.db2.gz KOFDYQWPOLDHAP-UHFFFAOYSA-N 0 0 238.287 2.254 10 30 BEEERN C#CC[C@@H](C)NC(=O)[C@@H]1CCOc2ccccc21 ZINC000135323333 358831152 /nfs/dbraw/zinc/83/11/52/358831152.db2.gz MJZZNMYDAZAYLV-DGCLKSJQSA-N 0 0 243.306 2.081 10 30 BEEERN CC#CCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000135960030 358857137 /nfs/dbraw/zinc/85/71/37/358857137.db2.gz KGILZTSXFYEIBE-LLVKDONJSA-N 0 0 232.283 2.149 10 30 BEEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccccn1 ZINC000054825139 358876377 /nfs/dbraw/zinc/87/63/77/358876377.db2.gz HPRZIHAHZARWJJ-LOWVWBTDSA-N 0 0 215.300 2.424 10 30 BEEERN CC[C@@H](S)C(=O)N1CCCCCCC1 ZINC000306154449 358940116 /nfs/dbraw/zinc/94/01/16/358940116.db2.gz BGDNISOEVYRWJD-SNVBAGLBSA-N 0 0 215.362 2.488 10 30 BEEERN COC(=O)[C@H](C)c1ccc(C)c(C#N)c1 ZINC000306192239 359016157 /nfs/dbraw/zinc/01/61/57/359016157.db2.gz JCAUBRWAOKLJDG-SECBINFHSA-N 0 0 203.241 2.143 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1cnn2ccccc12 ZINC000071373559 359078263 /nfs/dbraw/zinc/07/82/63/359078263.db2.gz CDDNGUFDZYOADU-DGCLKSJQSA-N 0 0 240.310 2.116 10 30 BEEERN Cc1cccnc1CN[C@H]1CCC[C@H]1C#N ZINC000070908721 359065180 /nfs/dbraw/zinc/06/51/80/359065180.db2.gz HVYOSIHDHVDDIM-RYUDHWBXSA-N 0 0 215.300 2.172 10 30 BEEERN N#Cc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000306203098 359292071 /nfs/dbraw/zinc/29/20/71/359292071.db2.gz NNPTUZCJOLVKEX-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN CC[C@@H](S)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000306214539 359315771 /nfs/dbraw/zinc/31/57/71/359315771.db2.gz YXMAAIWCSHETOW-DTWKUNHWSA-N 0 0 215.362 2.390 10 30 BEEERN CC[C@H](S)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000306214540 359315829 /nfs/dbraw/zinc/31/58/29/359315829.db2.gz YXMAAIWCSHETOW-IUCAKERBSA-N 0 0 215.362 2.390 10 30 BEEERN Cc1cc(C#N)ccc1S[C@@H](C)CO ZINC000306249861 359450079 /nfs/dbraw/zinc/45/00/79/359450079.db2.gz YGDIUDBUZUGZST-VIFPVBQESA-N 0 0 207.298 2.340 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1 ZINC000231202150 359466766 /nfs/dbraw/zinc/46/67/66/359466766.db2.gz SNSGIUKBKVLJAE-QWHCGFSZSA-N 0 0 243.310 2.178 10 30 BEEERN CC[C@H](C#N)n1ccc(Br)n1 ZINC000306282373 359513400 /nfs/dbraw/zinc/51/34/00/359513400.db2.gz AGPOHWZJISMDTN-ZCFIWIBFSA-N 0 0 214.066 2.120 10 30 BEEERN C[C@H]1CCCCCN1C(=O)C#CBr ZINC000306302664 359578386 /nfs/dbraw/zinc/57/83/86/359578386.db2.gz HBEYCQBCHVLLEI-VIFPVBQESA-N 0 0 244.132 2.133 10 30 BEEERN O=C[C@H]1CC[C@H](c2ccc(Br)o2)O1 ZINC000306317932 359597064 /nfs/dbraw/zinc/59/70/64/359597064.db2.gz ZPTXMHHGBIBVQQ-RNFRBKRXSA-N 0 0 245.072 2.461 10 30 BEEERN C[C@]1([C@H]2CC[C@@H](C=O)O2)CCCS1 ZINC000306330166 359611049 /nfs/dbraw/zinc/61/10/49/359611049.db2.gz CFRPPCVVHRXDDR-IVZWLZJFSA-N 0 0 200.303 2.019 10 30 BEEERN CC/C(=N/N)c1cc(Br)ccc1O ZINC000306362822 359696628 /nfs/dbraw/zinc/69/66/28/359696628.db2.gz VCGYAROXVSHHPZ-WQLSENKSSA-N 0 0 243.104 2.228 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)C12CCC(CC1)C2 ZINC000612300661 359776356 /nfs/dbraw/zinc/77/63/56/359776356.db2.gz XEKIOCXQSIAAKW-CBKZZEEASA-N 0 0 232.327 2.375 10 30 BEEERN C#CC(=O)Oc1ccc(Br)cc1C ZINC000306433233 359940112 /nfs/dbraw/zinc/94/01/12/359940112.db2.gz WFXROIRSNNVFAR-UHFFFAOYSA-N 0 0 239.068 2.296 10 30 BEEERN O=CC1(Cc2csc(Cl)n2)CC1 ZINC000306472648 360100305 /nfs/dbraw/zinc/10/03/05/360100305.db2.gz TURLRBHJEVQDCH-UHFFFAOYSA-N 0 0 201.678 2.318 10 30 BEEERN CC(C)n1cncc1CN[C@@H]1CCC[C@H]1C#N ZINC000090209194 360066157 /nfs/dbraw/zinc/06/61/57/360066157.db2.gz HHSBFRFEMXFNHC-WCQYABFASA-N 0 0 232.331 2.246 10 30 BEEERN C=C(Br)CNC(=O)[C@H]1C=CCCC1 ZINC000306496142 360222707 /nfs/dbraw/zinc/22/27/07/360222707.db2.gz XCSNRNFVPWLKTI-VIFPVBQESA-N 0 0 244.132 2.368 10 30 BEEERN N#Cc1c[nH]nc1NCC(Cl)=CCl ZINC000306527044 360367021 /nfs/dbraw/zinc/36/70/21/360367021.db2.gz WFNRGLZQJLLPKL-LZCJLJQNSA-N 0 0 217.059 2.012 10 30 BEEERN C[C@](O)(C=O)Cc1ccsc1Br ZINC000306563649 360441711 /nfs/dbraw/zinc/44/17/11/360441711.db2.gz VURWLCWXWBOSKO-MRVPVSSYSA-N 0 0 249.129 2.003 10 30 BEEERN C[C@@H](C#N)Nc1cncc(Br)c1 ZINC000300750831 360454204 /nfs/dbraw/zinc/45/42/04/360454204.db2.gz GQVSECHSLMAFRR-LURJTMIESA-N 0 0 226.077 2.168 10 30 BEEERN CC(=O)/C=C/C1=C(C)[C@@H]2CC[C@H](C)[C@H]2[C@@H](O)O1 ZINC000015266089 219813307 /nfs/dbraw/zinc/81/33/07/219813307.db2.gz SSFLZIBVARYADM-ZFIOJPIISA-N 0 0 236.311 2.417 10 30 BEEERN COC(=O)c1ccc(Cl)c(C)c1C#N ZINC000306604180 360533046 /nfs/dbraw/zinc/53/30/46/360533046.db2.gz NOOGLKLIGLXUAD-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN N#CCc1cccc(C#N)c1Br ZINC000238049434 360539081 /nfs/dbraw/zinc/53/90/81/360539081.db2.gz FKQGYGIYXHNPQK-UHFFFAOYSA-N 0 0 221.057 2.387 10 30 BEEERN CCOC(=O)c1cccc(C#N)c1Cl ZINC000238265651 360768733 /nfs/dbraw/zinc/76/87/33/360768733.db2.gz RSBDXEGSTBRREX-UHFFFAOYSA-N 0 0 209.632 2.388 10 30 BEEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)C(F)(F)F ZINC000306611441 360795196 /nfs/dbraw/zinc/79/51/96/360795196.db2.gz GFLRRRVLGCZAKK-RNJXMRFFSA-N 0 0 206.211 2.219 10 30 BEEERN CCc1c(C)c(C#N)ccc1C(=O)OC ZINC000238289039 360781366 /nfs/dbraw/zinc/78/13/66/360781366.db2.gz WAOQUNDQMBZTQE-UHFFFAOYSA-N 0 0 203.241 2.216 10 30 BEEERN COCc1ccc(C#N)cc1Br ZINC000238325123 360875867 /nfs/dbraw/zinc/87/58/67/360875867.db2.gz NXWIRDWWFFWIJV-UHFFFAOYSA-N 0 0 226.073 2.467 10 30 BEEERN COC(=O)c1ccc(C#N)c(C)c1Cl ZINC000238381144 360987539 /nfs/dbraw/zinc/98/75/39/360987539.db2.gz QYBHMBQCRVBGDW-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN Cc1ccnc(OC(F)(F)F)c1CC#N ZINC000238472456 361098477 /nfs/dbraw/zinc/09/84/77/361098477.db2.gz HSTCLCGJWGJVKO-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN N#Cc1nccc(CF)c1OC(F)(F)F ZINC000238693543 361180225 /nfs/dbraw/zinc/18/02/25/361180225.db2.gz PFAMLIBNQYHVPU-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#CCNCc1cc(Br)cs1 ZINC000070600214 361584374 /nfs/dbraw/zinc/58/43/74/361584374.db2.gz XSGDGEOLALIUPK-UHFFFAOYSA-N 0 0 231.118 2.124 10 30 BEEERN N#Cc1cc(Cl)nc(OCC2CC2)c1 ZINC000215365789 370705050 /nfs/dbraw/zinc/70/50/50/370705050.db2.gz BOBDHYRXAZBPMW-UHFFFAOYSA-N 0 0 208.648 2.395 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)CCCSC ZINC000134623403 364408794 /nfs/dbraw/zinc/40/87/94/364408794.db2.gz KLFOLRIVUBPQNU-SNVBAGLBSA-N 0 0 228.361 2.138 10 30 BEEERN CC[C@]1(c2ccccc2)O[C@]1(Cl)C(=O)OC ZINC000234135273 541511460 /nfs/dbraw/zinc/51/14/60/541511460.db2.gz NTHUOTJJYXDDHW-VXGBXAGGSA-N 0 0 240.686 2.430 10 30 BEEERN C=CCN(CC=C)Cc1nnc(C(C)C)n1C ZINC000195430957 367360572 /nfs/dbraw/zinc/36/05/72/367360572.db2.gz ASFFMSFCTGMXGI-UHFFFAOYSA-N 0 0 234.347 2.113 10 30 BEEERN CC(C)SC(=NCc1cccnc1)NC#N ZINC000048523737 368377511 /nfs/dbraw/zinc/37/75/11/368377511.db2.gz QFBIUMLFRXMHRT-UHFFFAOYSA-N 0 0 234.328 2.150 10 30 BEEERN C=C1C[C@@]2(CCc3cc(OC)ccc32)OC1=O ZINC000048523775 368377523 /nfs/dbraw/zinc/37/75/23/368377523.db2.gz NCHDPMORMXZZRG-CQSZACIVSA-N 0 0 230.263 2.340 10 30 BEEERN CCC=C1C(=O)c2ccccc2C(=O)C1=O ZINC000105127453 368393603 /nfs/dbraw/zinc/39/36/03/368393603.db2.gz SOHLFUWDNFUZAK-DJWKRKHSSA-N 0 0 214.220 2.454 10 30 BEEERN COC(=O)c1ccc2cc(CCC=O)oc2c1 ZINC000102254212 368411202 /nfs/dbraw/zinc/41/12/02/368411202.db2.gz IVLQFCBRJBVZPM-UHFFFAOYSA-N 0 0 232.235 2.351 10 30 BEEERN O=C(C#Cc1cccnc1)c1ccccc1 ZINC000000015664 368475315 /nfs/dbraw/zinc/47/53/15/368475315.db2.gz AGGZZMWJUMVARG-UHFFFAOYSA-N 0 0 207.232 2.316 10 30 BEEERN C=C[C@H](OC(C)=O)c1ccc2c(c1)OCO2 ZINC000002009589 368733273 /nfs/dbraw/zinc/73/32/73/368733273.db2.gz TXUCQVJZBXYDKH-JTQLQIEISA-N 0 0 220.224 2.206 10 30 BEEERN COc1ccc(C(=O)/C=N/N2CCCCC2)cc1 ZINC000002013394 368734388 /nfs/dbraw/zinc/73/43/88/368734388.db2.gz MRAVBAYPPZLQLH-RVDMUPIBSA-N 0 0 246.310 2.350 10 30 BEEERN C[C@@H](NS(=O)(=O)CCCCC#N)C(C)(C)C ZINC000112363105 368870899 /nfs/dbraw/zinc/87/08/99/368870899.db2.gz SLEAONLTWLCLOS-SNVBAGLBSA-N 0 0 246.376 2.034 10 30 BEEERN C=CCC(=O)Nc1cccc(Br)n1 ZINC000054400220 369070125 /nfs/dbraw/zinc/07/01/25/369070125.db2.gz JZGIJLRHWYBKNC-UHFFFAOYSA-N 0 0 241.088 2.359 10 30 BEEERN CC[C@H](C)[C@@H]1Nc2cc(C#N)ccc2NC1=O ZINC000130808559 369056015 /nfs/dbraw/zinc/05/60/15/369056015.db2.gz NAXZEWMBYLOALV-UFBFGSQYSA-N 0 0 229.283 2.337 10 30 BEEERN N#C[C@@H](NC(=O)CSc1ccccc1)C1CC1 ZINC000108828609 369410194 /nfs/dbraw/zinc/41/01/94/369410194.db2.gz SNOAKXRHHZGMCP-GFCCVEGCSA-N 0 0 246.335 2.197 10 30 BEEERN CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1C#N ZINC000259943583 370957809 /nfs/dbraw/zinc/95/78/09/370957809.db2.gz KVRMCCRLAFHROK-NXEZZACHSA-N 0 0 208.305 2.231 10 30 BEEERN CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000250505661 369537689 /nfs/dbraw/zinc/53/76/89/369537689.db2.gz MHZKNOCBMYXLSP-SDDRHHMPSA-N 0 0 210.321 2.083 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@H]2CCC[C@H](O)C2)n1 ZINC000603865241 369996501 /nfs/dbraw/zinc/99/65/01/369996501.db2.gz GNEOLFQRWPHYDL-RYUDHWBXSA-N 0 0 245.326 2.286 10 30 BEEERN CC#C[C@@H](CC(=O)OCC)c1ccc(N)cc1 ZINC000113358417 370405608 /nfs/dbraw/zinc/40/56/08/370405608.db2.gz MPNRAVIUGBXBMT-LBPRGKRZSA-N 0 0 231.295 2.329 10 30 BEEERN N#C[C@H](c1nccs1)N1CCCCC1 ZINC000161577486 370438852 /nfs/dbraw/zinc/43/88/52/370438852.db2.gz XAFOSPGBHPQWKX-SECBINFHSA-N 0 0 207.302 2.194 10 30 BEEERN N#Cc1cc(CO)ccc1Oc1cccnc1 ZINC000114750540 370592869 /nfs/dbraw/zinc/59/28/69/370592869.db2.gz VQYMYIOTTDUIMD-UHFFFAOYSA-N 0 0 226.235 2.238 10 30 BEEERN O=CCc1ccccc1OC(F)(F)F ZINC000055230464 370581140 /nfs/dbraw/zinc/58/11/40/370581140.db2.gz IMCSNCJILJANKB-UHFFFAOYSA-N 0 0 204.147 2.327 10 30 BEEERN Cc1ccc(CCC(=O)NC2(C#N)CC2)cc1 ZINC000115151157 370626404 /nfs/dbraw/zinc/62/64/04/370626404.db2.gz CXVVWFJTSJCQEY-UHFFFAOYSA-N 0 0 228.295 2.100 10 30 BEEERN CC(C)n1nc(-c2ccncc2)cc1C#N ZINC000261039903 371027924 /nfs/dbraw/zinc/02/79/24/371027924.db2.gz LIMGTXZFVQPUDS-UHFFFAOYSA-N 0 0 212.256 2.398 10 30 BEEERN Cc1nn(C)c(C)c1CN[C@H]1CCCC[C@@H]1C#N ZINC000092330813 371093029 /nfs/dbraw/zinc/09/30/29/371093029.db2.gz GGQXZONRFRUMPH-OCCSQVGLSA-N 0 0 246.358 2.209 10 30 BEEERN CC(C)(C)CCNc1cnc(C#N)cn1 ZINC000124028559 371133870 /nfs/dbraw/zinc/13/38/70/371133870.db2.gz GQXFGRBVGMDGJI-UHFFFAOYSA-N 0 0 204.277 2.196 10 30 BEEERN C=C1C(=O)O[C@H]2[C@@H]1CC1=C(C)CC[C@@H](O)[C@@H]1[C@H]2C ZINC000299817438 371582807 /nfs/dbraw/zinc/58/28/07/371582807.db2.gz CHKRTCRFGDZZPE-DKTYCGPESA-N 0 0 248.322 2.211 10 30 biogenic BEEERN C=C[C@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C ZINC000299817472 371583565 /nfs/dbraw/zinc/58/35/65/371583565.db2.gz DVAGTAGGEQOKJU-GEJOOGBSSA-N 0 0 248.322 2.233 10 30 biogenic BEEERN C[C@@H](CO)Sc1ccc(F)cc1C#N ZINC000162415483 371675205 /nfs/dbraw/zinc/67/52/05/371675205.db2.gz FWQCLJVFQORJTF-ZETCQYMHSA-N 0 0 211.261 2.170 10 30 BEEERN C#C[C@H](CC)Nc1nnc(Br)s1 ZINC000230020936 371636296 /nfs/dbraw/zinc/63/62/96/371636296.db2.gz YGRKHCBUKZIKCZ-RXMQYKEDSA-N 0 0 246.133 2.124 10 30 BEEERN COC(=O)c1cc(C2CC2)nc(Cl)c1C#N ZINC000216958415 371856479 /nfs/dbraw/zinc/85/64/79/371856479.db2.gz BBVDDICGFQZZIG-UHFFFAOYSA-N 0 0 236.658 2.271 10 30 BEEERN C=C(Br)CNc1ccnc(Cl)n1 ZINC000230146967 371860234 /nfs/dbraw/zinc/86/02/34/371860234.db2.gz DOMULERYYTXHOL-UHFFFAOYSA-N 0 0 248.511 2.451 10 30 BEEERN C[C@H](C#N)Oc1ccc(Br)nc1 ZINC000230301669 371889051 /nfs/dbraw/zinc/88/90/51/371889051.db2.gz FEBYBKXLNMFILA-ZCFIWIBFSA-N 0 0 227.061 2.135 10 30 BEEERN N#Cc1cc(F)cc(SC2COC2)c1 ZINC000227639489 371911949 /nfs/dbraw/zinc/91/19/49/371911949.db2.gz ODUPRRLYTSBBOD-UHFFFAOYSA-N 0 0 209.245 2.188 10 30 BEEERN N#C[C@]1(Sc2ccccc2)C[C@@H]1CO ZINC000132798319 371923820 /nfs/dbraw/zinc/92/38/20/371923820.db2.gz GCWZGYRIXDYNOM-MWLCHTKSSA-N 0 0 205.282 2.053 10 30 BEEERN C#CC[C@@H](C)Nc1ncncc1Br ZINC000133063412 371981926 /nfs/dbraw/zinc/98/19/26/371981926.db2.gz VEUFKQFRDVNVIS-SSDOTTSWSA-N 0 0 240.104 2.063 10 30 BEEERN C#CCCC(=O)[C@@H]1SCCS[C@@H]1C ZINC000228076399 371986447 /nfs/dbraw/zinc/98/64/47/371986447.db2.gz KNFFJNZWPQXCBD-PSASIEDQSA-N 0 0 214.355 2.206 10 30 BEEERN Cc1sc([C@H](N)C#N)cc1Br ZINC000227888399 371955560 /nfs/dbraw/zinc/95/55/60/371955560.db2.gz HEDCSXFKBXBVCM-ZCFIWIBFSA-N 0 0 231.118 2.342 10 30 BEEERN C[C@H]1O[C@@H](C)Cc2c(C#N)c(N)sc21 ZINC000133437307 372049042 /nfs/dbraw/zinc/04/90/42/372049042.db2.gz CXOINVBFOKKWPK-NTSWFWBYSA-N 0 0 208.286 2.224 10 30 BEEERN C=C[C@@H](NC)c1nscc1Br ZINC000404742802 372111488 /nfs/dbraw/zinc/11/14/88/372111488.db2.gz QDZUECWAOSYOAT-ZCFIWIBFSA-N 0 0 233.134 2.352 10 30 BEEERN CC[C@](C)(C#N)[C@H](O)c1cnc(C)s1 ZINC000307611754 372132164 /nfs/dbraw/zinc/13/21/64/372132164.db2.gz JQRAFBLNWGYYCR-NXEZZACHSA-N 0 0 210.302 2.425 10 30 BEEERN C#CC(C)(C)Nc1ncnc(Cl)c1C ZINC000229303727 372139933 /nfs/dbraw/zinc/13/99/33/372139933.db2.gz AAWHIBXVTCVPML-UHFFFAOYSA-N 0 0 209.680 2.262 10 30 BEEERN O=C(CS)Nc1ccc(F)c(Cl)c1 ZINC000008701510 182005755 /nfs/dbraw/zinc/00/57/55/182005755.db2.gz IMPRPMMDLFTEKM-UHFFFAOYSA-N 0 0 219.668 2.347 10 30 BEEERN O=C(CS)NC12CC3CC(CC(C3)C1)C2 ZINC000032172270 182006393 /nfs/dbraw/zinc/00/63/93/182006393.db2.gz ISXVIFREDSNTMX-UHFFFAOYSA-N 0 0 225.357 2.001 10 30 BEEERN CC(C)[C@H](C)CC(=O)NC1(C#N)CCC1 ZINC000067913901 372888257 /nfs/dbraw/zinc/88/82/57/372888257.db2.gz ZEPZBABMWKBDCT-SNVBAGLBSA-N 0 0 208.305 2.231 10 30 BEEERN C#CCNc1ccc(C#N)cc1Br ZINC000068990286 373104335 /nfs/dbraw/zinc/10/43/35/373104335.db2.gz BZKJCSVQAIBKPA-UHFFFAOYSA-N 0 0 235.084 2.366 10 30 BEEERN CCCCNC(=O)CNc1ccc(CC#N)cc1 ZINC000048695387 168845230 /nfs/dbraw/zinc/84/52/30/168845230.db2.gz PZUYRWASPUUFRM-UHFFFAOYSA-N 0 0 245.326 2.081 10 30 BEEERN CC(C)[C@@H]1C[C@]2(CCO1)CC(=O)C=CO2 ZINC000069900102 373973268 /nfs/dbraw/zinc/97/32/68/373973268.db2.gz CLVNEBYPXFDVOA-RYUDHWBXSA-N 0 0 210.273 2.063 10 30 BEEERN COc1ccc2c(ccn2C[C@@H]2CO2)c1 ZINC000070453497 374141837 /nfs/dbraw/zinc/14/18/37/374141837.db2.gz AIBMJDCBEMLYBB-LLVKDONJSA-N 0 0 203.241 2.049 10 30 BEEERN O=c1c(Cl)c(Cl)c(O)c2[nH]cccc1-2 ZINC000036644032 182713907 /nfs/dbraw/zinc/71/39/07/182713907.db2.gz YCIBHRIVISVNHJ-VIFPVBQESA-N 0 0 230.050 2.001 10 30 BEEERN O=CC=C(O)C12CC3CC(CC(C3)C1)C2 ZINC000034939343 182850158 /nfs/dbraw/zinc/85/01/58/182850158.db2.gz DNTBEPSXLFPHMX-UHFFFAOYSA-N 0 0 206.285 2.361 10 30 BEEERN CCN(CCC#N)C(=O)Nc1ccc(N)cc1 ZINC000042451286 169814866 /nfs/dbraw/zinc/81/48/66/169814866.db2.gz SYDHCKIILPNBIB-UHFFFAOYSA-N 0 0 232.287 2.036 10 30 BEEERN OCCC#Cc1cc(F)ccc1COCC1CC1 ZINC000049621324 183040322 /nfs/dbraw/zinc/04/03/22/183040322.db2.gz YTCFFMKOMKLHIJ-UHFFFAOYSA-N 0 0 248.297 2.486 10 30 BEEERN OCCC#Cc1ccccc1COCC1CC1 ZINC000049621297 183042979 /nfs/dbraw/zinc/04/29/79/183042979.db2.gz ZHVBGBKQKJVGFU-UHFFFAOYSA-N 0 0 230.307 2.347 10 30 BEEERN OCC#Cc1cc(F)ccc1COCC1CC1 ZINC000049621321 183031928 /nfs/dbraw/zinc/03/19/28/183031928.db2.gz MQEWOULFWMQORO-UHFFFAOYSA-N 0 0 234.270 2.096 10 30 BEEERN CCCN(CC1CC1)c1ncc(N)cc1C#N ZINC000037759173 169137867 /nfs/dbraw/zinc/13/78/67/169137867.db2.gz WTDNHAJKFBYRMF-UHFFFAOYSA-N 0 0 230.315 2.162 10 30 BEEERN Oc1ccccc1C=NNc1ccccn1 ZINC000004421388 183300760 /nfs/dbraw/zinc/30/07/60/183300760.db2.gz VZOPTEASQLBLJX-NTEUORMPSA-N 0 0 213.240 2.233 10 30 BEEERN CCCN[C@H](C#N)c1ccccc1OC ZINC000019989630 169284278 /nfs/dbraw/zinc/28/42/78/169284278.db2.gz QCEAFMWZIQJSFV-LLVKDONJSA-N 0 0 204.273 2.259 10 30 BEEERN CCCN[C@H](C#N)c1ccc2c(c1)OCCO2 ZINC000020175574 169284301 /nfs/dbraw/zinc/28/43/01/169284301.db2.gz XPPFFPQRHWOMRS-LLVKDONJSA-N 0 0 232.283 2.022 10 30 BEEERN CCCN[C@@]1(C#N)CCOc2ccccc21 ZINC000020379833 169284357 /nfs/dbraw/zinc/28/43/57/169284357.db2.gz AYHHZKUSWATCAV-CYBMUJFWSA-N 0 0 216.284 2.188 10 30 BEEERN CCCN[C@@H](C#N)c1ccccc1OC ZINC000019989626 169273691 /nfs/dbraw/zinc/27/36/91/169273691.db2.gz QCEAFMWZIQJSFV-NSHDSACASA-N 0 0 204.273 2.259 10 30 BEEERN CCCOc1ccc(C#N)cc1[N+](=O)[O-] ZINC000057880957 169317235 /nfs/dbraw/zinc/31/72/35/169317235.db2.gz SGGJWEPYOFFSQK-UHFFFAOYSA-N 0 0 206.201 2.255 10 30 BEEERN CCCOCc1ccc(F)c(C#CCCO)c1 ZINC000049621849 169309965 /nfs/dbraw/zinc/30/99/65/169309965.db2.gz CFEQBNLBHUIZFT-UHFFFAOYSA-N 0 0 236.286 2.486 10 30 BEEERN CCC[C@@H](C#N)C(=O)Nc1nc2ccccc2[nH]1 ZINC000104101729 169342958 /nfs/dbraw/zinc/34/29/58/169342958.db2.gz ONJHQVLBWMLTPW-VIFPVBQESA-N 0 0 242.282 2.441 10 30 BEEERN CCCOc1cccc([C@H](C#N)NCCOC)c1 ZINC000020176661 169325903 /nfs/dbraw/zinc/32/59/03/169325903.db2.gz BITKNJTWXLEUEY-AWEZNQCLSA-N 0 0 248.326 2.276 10 30 BEEERN CCCO[C@H]1CCCN([C@@H](C)C#N)CC1 ZINC000181862923 134339824 /nfs/dbraw/zinc/33/98/24/134339824.db2.gz ZLDDSOIEOGSKRP-RYUDHWBXSA-N 0 0 210.321 2.180 10 30 BEEERN CCC[C@H](C#N)N1C(=O)CC2(CCCC2)CC1=O ZINC000040222345 169464434 /nfs/dbraw/zinc/46/44/34/169464434.db2.gz PRTAYXFDFXGGSW-LLVKDONJSA-N 0 0 248.326 2.388 10 30 BEEERN CCn1ccnc1COc1cccc(C#N)c1 ZINC000052345195 269682154 /nfs/dbraw/zinc/68/21/54/269682154.db2.gz BJLCCVKTJJMGQK-UHFFFAOYSA-N 0 0 227.267 2.354 10 30 BEEERN C[C@@H]1CC=CC[C@H]1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408071775 134386289 /nfs/dbraw/zinc/38/62/89/134386289.db2.gz LNZDSBYIPCLQFI-LPWJVIDDSA-N 0 0 232.327 2.397 10 30 BEEERN CO/N=C/CSc1cccn2ccnc12 ZINC000089201519 383944138 /nfs/dbraw/zinc/94/41/38/383944138.db2.gz VYZRXSLIHPWGNL-LFYBBSHMSA-N 0 0 221.285 2.059 10 30 BEEERN CCOc1cc(CC#N)c(F)cc1C#N ZINC000575645399 383949254 /nfs/dbraw/zinc/94/92/54/383949254.db2.gz OQLAMUGILKIZCO-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN Cc1ccn([C@@H]2CC[C@@H](C)C2)c(=O)c1C#N ZINC000334936211 383975056 /nfs/dbraw/zinc/97/50/56/383975056.db2.gz ZHKGSCMFMFXFQM-MWLCHTKSSA-N 0 0 216.284 2.390 10 30 BEEERN CCc1cc(CC#N)c(C#N)cc1OC ZINC000575645635 384090406 /nfs/dbraw/zinc/09/04/06/384090406.db2.gz MBWVWNTVEXBQER-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN COc1cc(OC)c(OC(F)F)cc1CC#N ZINC000575652478 384109731 /nfs/dbraw/zinc/10/97/31/384109731.db2.gz HBBDTIQLLBBMDQ-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN c1ccc2sc(OC[C@H]3CO3)nc2c1 ZINC000039240533 384112138 /nfs/dbraw/zinc/11/21/38/384112138.db2.gz IBJHKNWHCQFFQG-SSDOTTSWSA-N 0 0 207.254 2.074 10 30 BEEERN CC(=O)Nc1ccc2c(c1)CC[C@@H]2C#N ZINC000091297221 384115575 /nfs/dbraw/zinc/11/55/75/384115575.db2.gz ZTDQCWDBVCALBE-SNVBAGLBSA-N 0 0 200.241 2.198 10 30 BEEERN N#CC1(NC(=O)CCc2ccco2)CCCC1 ZINC000040216352 384131399 /nfs/dbraw/zinc/13/13/99/384131399.db2.gz AYRLQHAPLZOYEI-UHFFFAOYSA-N 0 0 232.283 2.165 10 30 BEEERN CCn1nc(C=O)cc1-c1cccc(C#N)c1 ZINC000039102545 384263795 /nfs/dbraw/zinc/26/37/95/384263795.db2.gz BAGRTBUVHLKZCF-UHFFFAOYSA-N 0 0 225.251 2.254 10 30 BEEERN CO[C@H](C)CNc1cc(C)nc(C)c1C#N ZINC000224219557 384308533 /nfs/dbraw/zinc/30/85/33/384308533.db2.gz SHXQHMRJYCKOJH-SECBINFHSA-N 0 0 219.288 2.017 10 30 BEEERN CCOc1cc(O)c(OC(F)F)cc1CC#N ZINC000575655846 384358644 /nfs/dbraw/zinc/35/86/44/384358644.db2.gz IZGJEUCDOYYYLJ-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN N#Cc1cccnc1NCCC1=CCOCC1 ZINC000158064652 384325935 /nfs/dbraw/zinc/32/59/35/384325935.db2.gz KFWUKQAWMDHLOV-UHFFFAOYSA-N 0 0 229.283 2.102 10 30 BEEERN N#Cc1cc(OC(F)F)cc([N+](=O)[O-])c1F ZINC000575661341 384413799 /nfs/dbraw/zinc/41/37/99/384413799.db2.gz MAGKKBNLWOBDFQ-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN COc1c(CC#N)ccc(O)c1OC(F)F ZINC000575662960 384420809 /nfs/dbraw/zinc/42/08/09/384420809.db2.gz MDRBGRXHSFVCJW-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN CC(C)[C@@H](C)CC(=O)Nc1ccn(CCC#N)n1 ZINC000117712692 384376240 /nfs/dbraw/zinc/37/62/40/384376240.db2.gz BHOZJXWQGYCMIP-NSHDSACASA-N 0 0 248.330 2.417 10 30 BEEERN C/C=N/NCc1nc2ccccc2s1 ZINC000096336246 384451889 /nfs/dbraw/zinc/45/18/89/384451889.db2.gz DVDLCXHYEAJDDB-BIIKFXOESA-N 0 0 205.286 2.392 10 30 BEEERN C=C[C@]1(C)C[C@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C ZINC000257410293 384429871 /nfs/dbraw/zinc/42/98/71/384429871.db2.gz DVAGTAGGEQOKJU-DKBOKBLXSA-N 0 0 248.322 2.233 10 30 biogenic BEEERN Cc1cc(NC[C@@H]2CCC[C@H]2O)c(C#N)c(C)n1 ZINC000157454026 384479203 /nfs/dbraw/zinc/47/92/03/384479203.db2.gz BECWLNUJCJLCNA-SMDDNHRTSA-N 0 0 245.326 2.143 10 30 BEEERN COC(=O)c1cccc2cc(C#N)ccc21 ZINC000098178811 384500089 /nfs/dbraw/zinc/50/00/89/384500089.db2.gz LWVMMAPLNOYDCI-UHFFFAOYSA-N 0 0 211.220 2.498 10 30 BEEERN C[Si](C)(C)C#Cc1ccncc1C=O ZINC000196911433 384632249 /nfs/dbraw/zinc/63/22/49/384632249.db2.gz LMGZKECVVFRLQY-UHFFFAOYSA-N 0 0 203.317 2.123 10 30 BEEERN CNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000050842760 384647209 /nfs/dbraw/zinc/64/72/09/384647209.db2.gz ARQIZONNTKIFQT-UHFFFAOYSA-N 0 0 219.194 2.426 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1C[C@@H]1C ZINC000119690197 384835231 /nfs/dbraw/zinc/83/52/31/384835231.db2.gz NBXRULBSKLYAIC-CABZTGNLSA-N 0 0 214.268 2.005 10 30 BEEERN OCCCC#Cc1ncccc1C(F)(F)F ZINC000585145087 384781538 /nfs/dbraw/zinc/78/15/38/384781538.db2.gz WXSQLRPCZWIQCV-UHFFFAOYSA-N 0 0 229.201 2.224 10 30 BEEERN N#CCc1c(F)cc(OC(F)(F)F)cc1CO ZINC000575705214 384791938 /nfs/dbraw/zinc/79/19/38/384791938.db2.gz GFFJGYZTTNVKBG-UHFFFAOYSA-N 0 0 249.163 2.283 10 30 BEEERN N#Cc1cccc([C@@H]2CNC(=O)C23CCCC3)c1 ZINC000536954721 384803023 /nfs/dbraw/zinc/80/30/23/384803023.db2.gz SSRDPVBCIIOTNE-ZDUSSCGKSA-N 0 0 240.306 2.332 10 30 BEEERN N#Cc1ccc([C@H]2CNC(=O)C23CCCC3)cc1 ZINC000536954613 384804303 /nfs/dbraw/zinc/80/43/03/384804303.db2.gz QTBSTSMARIKXBB-CYBMUJFWSA-N 0 0 240.306 2.332 10 30 BEEERN N#Cc1cc(F)c(N)cc1N1CCCCC1 ZINC000536956070 384804539 /nfs/dbraw/zinc/80/45/39/384804539.db2.gz XHYQLIHZXAOBIS-UHFFFAOYSA-N 0 0 219.263 2.270 10 30 BEEERN N#Cc1cccc([C@H]2CNC(=O)C23CCCC3)c1 ZINC000536954718 384804578 /nfs/dbraw/zinc/80/45/78/384804578.db2.gz SSRDPVBCIIOTNE-CYBMUJFWSA-N 0 0 240.306 2.332 10 30 BEEERN Cc1cc(OC(F)F)cc(CC#N)c1N ZINC000575716372 384873466 /nfs/dbraw/zinc/87/34/66/384873466.db2.gz CQPNYOPVNOGCFT-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN Cc1c(N)c(CC#N)ccc1OC(F)F ZINC000575717279 384882444 /nfs/dbraw/zinc/88/24/44/384882444.db2.gz PCRWDXGEVNUYTL-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN CN(C)[C@@H](C#N)c1ccc(O)c(Cl)c1 ZINC000043489840 384850426 /nfs/dbraw/zinc/85/04/26/384850426.db2.gz YJSJYXUJRBAPFT-VIFPVBQESA-N 0 0 210.664 2.172 10 30 BEEERN CN(C)[C@H](C#N)c1ccc(O)c(Cl)c1 ZINC000043489841 384851614 /nfs/dbraw/zinc/85/16/14/384851614.db2.gz YJSJYXUJRBAPFT-SECBINFHSA-N 0 0 210.664 2.172 10 30 BEEERN CC(=O)Nc1scc(Cl)c1C#N ZINC000306449719 384858574 /nfs/dbraw/zinc/85/85/74/384858574.db2.gz NEZNPEWDQPSOLW-UHFFFAOYSA-N 0 0 200.650 2.232 10 30 BEEERN COc1cc(N)c(CC#N)c(Br)c1 ZINC000575714177 384862928 /nfs/dbraw/zinc/86/29/28/384862928.db2.gz CVTPUMLJGLJZSF-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN COc1cc(Br)cc(N)c1CC#N ZINC000575714776 384867024 /nfs/dbraw/zinc/86/70/24/384867024.db2.gz NNELFBLTYPRRCX-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000149798978 384948864 /nfs/dbraw/zinc/94/88/64/384948864.db2.gz TZMSBAKTCOBXAJ-LDYMZIIASA-N 0 0 247.254 2.056 10 30 BEEERN N#CCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1N ZINC000575719747 384894659 /nfs/dbraw/zinc/89/46/59/384894659.db2.gz IGLBJPNDSZAGST-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN C=CCCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000102232952 384948210 /nfs/dbraw/zinc/94/82/10/384948210.db2.gz PXAQPODIZKDOEL-RYUDHWBXSA-N 0 0 223.316 2.123 10 30 BEEERN C=CC[C@H](CO)Nc1cccc(C)c1[N+](=O)[O-] ZINC000302495540 384994236 /nfs/dbraw/zinc/99/42/36/384994236.db2.gz MCOSPCLTPLIZNH-SNVBAGLBSA-N 0 0 236.271 2.252 10 30 BEEERN CC(C)[C@H](C)NC(=O)c1cc(C#N)cs1 ZINC000084060424 385076899 /nfs/dbraw/zinc/07/68/99/385076899.db2.gz KEBYCDLVQLZDTJ-QMMMGPOBSA-N 0 0 222.313 2.394 10 30 BEEERN CCO/N=C(/C)c1nc2ccccc2[nH]1 ZINC000050775958 385029840 /nfs/dbraw/zinc/02/98/40/385029840.db2.gz CXFBQUOXTHPZRM-ZSOIEALJSA-N 0 0 203.245 2.323 10 30 BEEERN CC#CCCN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000157121795 385083443 /nfs/dbraw/zinc/08/34/43/385083443.db2.gz PLYUYPBRDJKIHT-CQSZACIVSA-N 0 0 233.311 2.375 10 30 BEEERN C=C(Cl)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152326296 385135295 /nfs/dbraw/zinc/13/52/95/385135295.db2.gz XBXYYXMIVRAONA-GFCCVEGCSA-N 0 0 238.718 2.287 10 30 BEEERN C[C@@H]1CCC[C@H](C)CN1c1nccc(C#N)n1 ZINC000408459486 385220534 /nfs/dbraw/zinc/22/05/34/385220534.db2.gz YBADIFVXWNAUSZ-WDEREUQCSA-N 0 0 230.315 2.363 10 30 BEEERN Cc1c(C#N)cccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000178566089 385248060 /nfs/dbraw/zinc/24/80/60/385248060.db2.gz UAPKAFBFAPSMPR-QPUJVOFHSA-N 0 0 229.283 2.397 10 30 BEEERN CSCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000407967279 385202615 /nfs/dbraw/zinc/20/26/15/385202615.db2.gz PQXSWXVSRRFAAK-NXEZZACHSA-N 0 0 240.372 2.184 10 30 BEEERN N#Cc1csc(C(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000334142845 385314312 /nfs/dbraw/zinc/31/43/12/385314312.db2.gz OXKJHJVMVKIPPG-NXEZZACHSA-N 0 0 232.308 2.244 10 30 BEEERN C[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccon1 ZINC000408057089 385330473 /nfs/dbraw/zinc/33/04/73/385330473.db2.gz PRRAOINZEYNZOD-SNVBAGLBSA-N 0 0 247.298 2.326 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000300239659 385327270 /nfs/dbraw/zinc/32/72/70/385327270.db2.gz AKNNIRUWMXYZPO-WYUUTHIRSA-N 0 0 220.316 2.231 10 30 BEEERN CC(C)(C)OC(=O)N[C@H](C=O)CC(F)(F)F ZINC000168884891 385391696 /nfs/dbraw/zinc/39/16/96/385391696.db2.gz XYUJVJSJPNDFBW-LURJTMIESA-N 0 0 241.209 2.031 10 30 BEEERN CCC1CC(=O)C(=CN[C@H](C)C2CC2)C(=O)C1 ZINC000170970905 385460792 /nfs/dbraw/zinc/46/07/92/385460792.db2.gz ZGZUNQLCRDRLPM-YHMJZVADSA-N 0 0 235.327 2.217 10 30 BEEERN N#C[C@H](N)c1csc(Br)c1 ZINC000259519514 385533376 /nfs/dbraw/zinc/53/33/76/385533376.db2.gz DAJUFONRFQLWMP-YFKPBYRVSA-N 0 0 217.091 2.034 10 30 BEEERN N#Cc1cnccc1N[C@@H]1CCC[C@@H]1C#N ZINC000309498852 385624700 /nfs/dbraw/zinc/62/47/00/385624700.db2.gz KZPLBGDISSRYKO-MWLCHTKSSA-N 0 0 212.256 2.057 10 30 BEEERN C=CCOc1cc(C#N)ccc1[N+](=O)[O-] ZINC000034580774 385635799 /nfs/dbraw/zinc/63/57/99/385635799.db2.gz RXNPZTITNOKPBY-UHFFFAOYSA-N 0 0 204.185 2.031 10 30 BEEERN Cc1cc(O)c(C#N)c(Br)c1 ZINC000260037881 385657373 /nfs/dbraw/zinc/65/73/73/385657373.db2.gz JZFCSTILRJUIPB-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)C#N)o1 ZINC000182363483 385660849 /nfs/dbraw/zinc/66/08/49/385660849.db2.gz UQVGBQPNROALDX-WPRPVWTQSA-N 0 0 235.287 2.108 10 30 BEEERN CCOC(=O)c1ccc(C#N)c(F)c1F ZINC000260181803 385737588 /nfs/dbraw/zinc/73/75/88/385737588.db2.gz PHOUGWCLZBKXAS-UHFFFAOYSA-N 0 0 211.167 2.013 10 30 BEEERN CCc1cccc(CC(=O)N[C@@H](C#N)C2CC2)c1 ZINC000129174975 385739975 /nfs/dbraw/zinc/73/99/75/385739975.db2.gz MNSISLCEVKSJGM-AWEZNQCLSA-N 0 0 242.322 2.210 10 30 BEEERN CCc1cccc(CC(=O)N[C@H](C#N)C2CC2)c1 ZINC000129175206 385740716 /nfs/dbraw/zinc/74/07/16/385740716.db2.gz MNSISLCEVKSJGM-CQSZACIVSA-N 0 0 242.322 2.210 10 30 BEEERN C[C@]1(O)CC(=O)C=C(c2cc(F)ccc2F)C1 ZINC000040174904 385752355 /nfs/dbraw/zinc/75/23/55/385752355.db2.gz HBKNMXMWMKVOMB-CYBMUJFWSA-N 0 0 238.233 2.462 10 30 BEEERN Cc1ccc(Br)c(C#N)c1O ZINC000257988254 385775854 /nfs/dbraw/zinc/77/58/54/385775854.db2.gz FYKBXEGEWLLTJZ-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN CO/N=C\CSc1cccn2ccnc12 ZINC000215923291 385852936 /nfs/dbraw/zinc/85/29/36/385852936.db2.gz VYZRXSLIHPWGNL-XGICHPGQSA-N 0 0 221.285 2.059 10 30 BEEERN Cc1cc(O)cc(C#N)c1Br ZINC000260266271 385789299 /nfs/dbraw/zinc/78/92/99/385789299.db2.gz WSYAXNFXURWZHB-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN CC(C)C[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408241402 385874250 /nfs/dbraw/zinc/87/42/50/385874250.db2.gz WFUUOPCTXSQFGP-TUAOUCFPSA-N 0 0 222.332 2.477 10 30 BEEERN C[C@@]1(F)CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000408242255 385876210 /nfs/dbraw/zinc/87/62/10/385876210.db2.gz RQWLFTCVCNUQMD-GFCCVEGCSA-N 0 0 249.245 2.405 10 30 BEEERN C=C(C)COCCNC(=O)[C@H]1CCC[C@H]1C ZINC000230059746 134479857 /nfs/dbraw/zinc/47/98/57/134479857.db2.gz SOYRBMKBHAHJCY-NEPJUHHUSA-N 0 0 225.332 2.132 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC=CCC1 ZINC000408335515 386107790 /nfs/dbraw/zinc/10/77/90/386107790.db2.gz VPPMCLINMCZOLG-SRVKXCTJSA-N 0 0 218.300 2.151 10 30 BEEERN CC[C@@H](NC(=O)c1ccc(C#N)o1)C(C)C ZINC000309276981 386068138 /nfs/dbraw/zinc/06/81/38/386068138.db2.gz DXYJTQOXOYOBAY-SNVBAGLBSA-N 0 0 220.272 2.316 10 30 BEEERN Cc1cc(N[C@H]2CCC[C@H]2C#N)nc(C2CC2)n1 ZINC000408329133 386092497 /nfs/dbraw/zinc/09/24/97/386092497.db2.gz MCXUPJLVASSATF-RYUDHWBXSA-N 0 0 242.326 2.189 10 30 BEEERN CC(C)c1nccc(N[C@H]2CCC[C@@H]2C#N)n1 ZINC000408331751 386093895 /nfs/dbraw/zinc/09/38/95/386093895.db2.gz ZKPRZTPHMFHYOQ-MNOVXSKESA-N 0 0 230.315 2.126 10 30 BEEERN C=CCNc1nc(Cl)cc(Cl)n1 ZINC000091352104 386294040 /nfs/dbraw/zinc/29/40/40/386294040.db2.gz VVNAZZBCBNOIFA-UHFFFAOYSA-N 0 0 204.060 2.381 10 30 BEEERN C[C@H]1CC[C@@H](O)CN1Cc1cc(C#N)ccc1F ZINC000399194342 386410777 /nfs/dbraw/zinc/41/07/77/386410777.db2.gz CQKZTOFKEOPJFQ-GXFFZTMASA-N 0 0 248.301 2.043 10 30 BEEERN CCC(F)(F)C(C)(C)COS(C)(=O)=O ZINC000521399460 386431491 /nfs/dbraw/zinc/43/14/91/386431491.db2.gz LZILAYIICIYWFW-UHFFFAOYSA-N 0 0 230.276 2.034 10 30 BEEERN Cc1ccc(CN[C@H]2CCC[C@H]2C#N)cn1 ZINC000062053077 386489847 /nfs/dbraw/zinc/48/98/47/386489847.db2.gz JJVYVPMVPMHTTA-STQMWFEESA-N 0 0 215.300 2.172 10 30 BEEERN C[C@H]1CCC[C@@H](CC(=O)NCCC#N)C1 ZINC000408370685 386462232 /nfs/dbraw/zinc/46/22/32/386462232.db2.gz OINQKUAQQLCJKH-WDEREUQCSA-N 0 0 208.305 2.233 10 30 BEEERN CC(C)(C)OCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000336757292 386580044 /nfs/dbraw/zinc/58/00/44/386580044.db2.gz JZUKRKIRZVMWDA-GHMZBOCLSA-N 0 0 210.321 2.083 10 30 BEEERN N#CCc1cc(O)c(C#N)c(C(F)F)c1 ZINC000575643120 386580250 /nfs/dbraw/zinc/58/02/50/386580250.db2.gz NCMKPPYIVGQCFT-UHFFFAOYSA-N 0 0 208.167 2.268 10 30 BEEERN CCOc1ccc(CC#N)c(F)c1C#N ZINC000575644264 386585763 /nfs/dbraw/zinc/58/57/63/386585763.db2.gz LYHYETMKUGUGGO-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN N#CCc1cc(O)c(C(F)F)c(C#N)c1 ZINC000575644249 386585940 /nfs/dbraw/zinc/58/59/40/386585940.db2.gz XKYLWTBAYPBZIT-UHFFFAOYSA-N 0 0 208.167 2.268 10 30 BEEERN C[C@@H]1CC(CNC(=O)C2CC(=O)C2)C[C@@H](C)O1 ZINC000328936762 386650272 /nfs/dbraw/zinc/65/02/72/386650272.db2.gz QWWLCGMPDVKZBF-RKDXNWHRSA-N 0 0 239.315 2.126 10 30 BEEERN COC(=O)Cc1cc(C#N)ccc1C(F)(F)F ZINC000575345258 386710613 /nfs/dbraw/zinc/71/06/13/386710613.db2.gz QRRQCIGUXWYDGP-UHFFFAOYSA-N 0 0 243.184 2.293 10 30 BEEERN COC(=O)c1cc(C#N)cc(OC)c1C(F)F ZINC000575343667 386690474 /nfs/dbraw/zinc/69/04/74/386690474.db2.gz YMVBXFXHBFESJT-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1cc(C#N)c(OC)cc1C(F)F ZINC000575343565 386691068 /nfs/dbraw/zinc/69/10/68/386691068.db2.gz JPERMEFVDKFJQS-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN CCOC(=O)Cc1cc(CC)c(F)cc1C#N ZINC000575344447 386691379 /nfs/dbraw/zinc/69/13/79/386691379.db2.gz RKTPNJUNRIDWHZ-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN COC(=O)c1ccc(OC)c(C#N)c1C(F)F ZINC000575343514 386692065 /nfs/dbraw/zinc/69/20/65/386692065.db2.gz CMLGTILXEPPSGD-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)CCCCC(=O)c1cccc(C#N)c1 ZINC000575361631 386763143 /nfs/dbraw/zinc/76/31/43/386763143.db2.gz AGEZZDYGKMQBJJ-UHFFFAOYSA-N 0 0 245.278 2.474 10 30 BEEERN COC(=O)CCCC(=O)c1ccc(C#N)c(F)c1 ZINC000575361751 386764557 /nfs/dbraw/zinc/76/45/57/386764557.db2.gz CWAJJJGWEUNRTJ-UHFFFAOYSA-N 0 0 249.241 2.223 10 30 BEEERN CC(=O)/C=C/c1ccncc1Br ZINC000575449902 386790900 /nfs/dbraw/zinc/79/09/00/386790900.db2.gz VNGAMUPCVPQRIS-NSCUHMNNSA-N 0 0 226.073 2.446 10 30 BEEERN C=CCCCN(C)C(=O)NCc1ccc(C)nc1 ZINC000125227929 386777902 /nfs/dbraw/zinc/77/79/02/386777902.db2.gz KQPZORSKLOXLHJ-UHFFFAOYSA-N 0 0 247.342 2.498 10 30 BEEERN C=C[C@@](C)(CC[C@H]1OC1(C)C)OC(C)=O ZINC000005166742 386802108 /nfs/dbraw/zinc/80/21/08/386802108.db2.gz SVXOLLYBCSDBKK-PWSUYJOCSA-N 0 0 212.289 2.452 10 30 BEEERN CC(C)C(=O)Nc1ccc(C#CCCO)cc1 ZINC000037549923 166730272 /nfs/dbraw/zinc/73/02/72/166730272.db2.gz GOOXRDRPNLTRQQ-UHFFFAOYSA-N 0 0 231.295 2.015 10 30 BEEERN CCS[C@@H]1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC000125942387 386917378 /nfs/dbraw/zinc/91/73/78/386917378.db2.gz AAHDNVPIFQBEGN-GXSJLCMTSA-N 0 0 248.355 2.434 10 30 BEEERN CN[C@@](C)(C#N)c1ccc(Br)cc1 ZINC000040177267 386896264 /nfs/dbraw/zinc/89/62/64/386896264.db2.gz UTNKNSOTCMXBBM-JTQLQIEISA-N 0 0 239.116 2.407 10 30 BEEERN CCc1cc(CC(=O)OC)cc(C#N)c1CC ZINC000575385275 386943089 /nfs/dbraw/zinc/94/30/89/386943089.db2.gz HWJREVFTIFJZAV-UHFFFAOYSA-N 0 0 231.295 2.399 10 30 BEEERN COC(=O)c1c(F)c(C#N)ccc1OC(F)F ZINC000575386186 386944846 /nfs/dbraw/zinc/94/48/46/386944846.db2.gz YKXDOOYDUIOKJO-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)c1cc(F)c(OC(F)F)cc1C#N ZINC000575385662 386945501 /nfs/dbraw/zinc/94/55/01/386945501.db2.gz BVPBRQRYXMECOL-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)Cc1cc(C#N)c(F)cc1C(F)F ZINC000575389390 386953291 /nfs/dbraw/zinc/95/32/91/386953291.db2.gz FTDCHTDYKXPZHH-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN COC(=O)Cc1cc(F)cc(C#N)c1C(F)F ZINC000575389693 386954296 /nfs/dbraw/zinc/95/42/96/386954296.db2.gz JSGMXQUJBFINRD-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN COC(=O)c1c(C#N)c(C=O)ccc1C(F)F ZINC000575389761 386954408 /nfs/dbraw/zinc/95/44/08/386954408.db2.gz QFNWFDAXZVZZLT-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN CCOC(=O)Cc1ccc(CC)c(C=O)c1C#N ZINC000575387831 386956838 /nfs/dbraw/zinc/95/68/38/386956838.db2.gz WSOSTHMINHIAPQ-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)c1cc(C#N)c(CC)c(C=O)c1 ZINC000575387766 386957298 /nfs/dbraw/zinc/95/72/98/386957298.db2.gz SAGWYJPJELQLLR-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1OC ZINC000575387988 386958537 /nfs/dbraw/zinc/95/85/37/386958537.db2.gz HIPBTQNFSOJCLL-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN CCOC(=O)c1c(C#N)ccc(CC)c1OC ZINC000575387983 386958669 /nfs/dbraw/zinc/95/86/69/386958669.db2.gz GVSMNTGFGIQGKF-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN COC(=O)c1cc(O)c(C#N)cc1C(F)(F)F ZINC000575391985 386963535 /nfs/dbraw/zinc/96/35/35/386963535.db2.gz JNGGTABCVVKBEN-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN CCOC(=O)c1ccc(CC)c(C#N)c1C=O ZINC000575387562 386949395 /nfs/dbraw/zinc/94/93/95/386949395.db2.gz FVBFTRUENKUPNA-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN COC(=O)c1ccc(C)c(C#N)c1OC(F)F ZINC000575388334 386950939 /nfs/dbraw/zinc/95/09/39/386950939.db2.gz DHEXCYWKWGZWSV-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN CCOC(=O)c1cc(C#N)c(CC)cc1[N+](=O)[O-] ZINC000575388721 386951133 /nfs/dbraw/zinc/95/11/33/386951133.db2.gz ANVBEZDOTIGBJA-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOc1cc(CC#N)c(OC(F)F)cc1O ZINC000575655327 387040142 /nfs/dbraw/zinc/04/01/42/387040142.db2.gz CBYXNCQNZAIFCS-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN CCOc1cc(OC(F)F)c(C#N)cc1O ZINC000575656695 387042194 /nfs/dbraw/zinc/04/21/94/387042194.db2.gz MEEBMNBDDVQSJU-UHFFFAOYSA-N 0 0 229.182 2.264 10 30 BEEERN CCOc1cc(O)c(CC#N)cc1OC(F)F ZINC000575657889 387046095 /nfs/dbraw/zinc/04/60/95/387046095.db2.gz XHUXCEUURIKLGD-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN N#Cc1c(OC(F)F)cc(F)cc1[N+](=O)[O-] ZINC000575660988 387050930 /nfs/dbraw/zinc/05/09/30/387050930.db2.gz FXYCBWCZJRXYJF-UHFFFAOYSA-N 0 0 232.117 2.207 10 30 BEEERN N#Cc1cc(OC(F)F)c(F)cc1O ZINC000575659316 387051337 /nfs/dbraw/zinc/05/13/37/387051337.db2.gz MIPMRLVYYJQUJK-UHFFFAOYSA-N 0 0 203.119 2.004 10 30 BEEERN C[C@@H](C#N)Oc1cc(Br)ccc1N ZINC000575576323 387025090 /nfs/dbraw/zinc/02/50/90/387025090.db2.gz LTBAVPRFANSZCK-LURJTMIESA-N 0 0 241.088 2.322 10 30 BEEERN C#C[C@@H](C)NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000186098480 387075894 /nfs/dbraw/zinc/07/58/94/387075894.db2.gz GRZWTJKWBCRIBV-NEPJUHHUSA-N 0 0 243.306 2.081 10 30 BEEERN N#CCc1cc(F)cc([N+](=O)[O-])c1OC(F)F ZINC000575661730 387112873 /nfs/dbraw/zinc/11/28/73/387112873.db2.gz OXYDVUCXDWSHIQ-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN COc1c(CC#N)ccc(OC(F)F)c1C=O ZINC000575661618 387113140 /nfs/dbraw/zinc/11/31/40/387113140.db2.gz OCXXJEMKHHRCIZ-UHFFFAOYSA-N 0 0 241.193 2.175 10 30 BEEERN N#CCc1cc([N+](=O)[O-])cc(OC(F)F)c1F ZINC000575661250 387067782 /nfs/dbraw/zinc/06/77/82/387067782.db2.gz IXOGKBSUMSNGNG-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN Cc1cc(OC(F)F)c(C=O)cc1CC#N ZINC000575662193 387154234 /nfs/dbraw/zinc/15/42/34/387154234.db2.gz ZBBWFPKIYLYQPX-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN Cc1cc(OC(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575665512 387315405 /nfs/dbraw/zinc/31/54/05/387315405.db2.gz FODYPAOAAWRBES-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN Cn1ncc2c1cc(Br)cc2C#N ZINC000089197502 387257179 /nfs/dbraw/zinc/25/71/79/387257179.db2.gz IUNHKGUIWGVTJY-UHFFFAOYSA-N 0 0 236.072 2.207 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)NCC(C)(C)CC#N ZINC000315517106 387379603 /nfs/dbraw/zinc/37/96/03/387379603.db2.gz ZVRQUHCWRVOLQV-MNOVXSKESA-N 0 0 222.332 2.479 10 30 BEEERN COc1c(O)cc(Br)cc1CC#N ZINC000575692824 387379935 /nfs/dbraw/zinc/37/99/35/387379935.db2.gz NDMIWMXPMTWSAQ-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN COc1ccc(Br)c(O)c1CC#N ZINC000575692607 387381673 /nfs/dbraw/zinc/38/16/73/387381673.db2.gz JKQLWMSZGFBEKI-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN C#CC(=O)c1cc(Cl)cc(F)c1F ZINC000575497613 387332422 /nfs/dbraw/zinc/33/24/22/387332422.db2.gz ZPGLDOUUHAOMQR-UHFFFAOYSA-N 0 0 200.571 2.434 10 30 BEEERN CCOc1ccc([N+](=O)[O-])c(C#N)c1F ZINC000575670027 387332904 /nfs/dbraw/zinc/33/29/04/387332904.db2.gz CWKWMBSPVNBEBL-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN COc1cc(C#N)c(OC(F)F)c(OC)c1 ZINC000575671400 387333729 /nfs/dbraw/zinc/33/37/29/387333729.db2.gz JKEBIDWLVAQVEJ-UHFFFAOYSA-N 0 0 229.182 2.177 10 30 BEEERN CCOc1ccc(C)c(C#N)c1[N+](=O)[O-] ZINC000575670534 387334857 /nfs/dbraw/zinc/33/48/57/387334857.db2.gz LGBPNNIXUGKBML-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CCOc1cc(C)cc(C#N)c1[N+](=O)[O-] ZINC000575670846 387336596 /nfs/dbraw/zinc/33/65/96/387336596.db2.gz NKVLXDCREYZHOR-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CCOc1cc(C)c(C#N)c([N+](=O)[O-])c1 ZINC000575671057 387337417 /nfs/dbraw/zinc/33/74/17/387337417.db2.gz PMNYOYCIEQPXFH-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN COc1cc(C#N)cc(OC(F)F)c1OC ZINC000575671071 387338387 /nfs/dbraw/zinc/33/83/87/387338387.db2.gz GYILZPGODNHROV-UHFFFAOYSA-N 0 0 229.182 2.177 10 30 BEEERN N#CCc1c(N)cc(O)cc1C(F)(F)F ZINC000575719110 387424762 /nfs/dbraw/zinc/42/47/62/387424762.db2.gz OPWRGJOEKJBJQT-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN C/C(=N/OCc1ccccc1)c1cnn(C)c1 ZINC000060102808 387424879 /nfs/dbraw/zinc/42/48/79/387424879.db2.gz URICWUHUZAREPI-PTNGSMBKSA-N 0 0 229.283 2.361 10 30 BEEERN C=C[C@H](O)c1ccc(Br)cc1N ZINC000575516961 387427146 /nfs/dbraw/zinc/42/71/46/387427146.db2.gz GHCVXUFOMVVZFV-VIFPVBQESA-N 0 0 228.089 2.251 10 30 BEEERN COc1ccc(Br)c(CC#N)c1N ZINC000575715085 387429244 /nfs/dbraw/zinc/42/92/44/387429244.db2.gz QYAXOUKZWFUASQ-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN N#CCc1c(O)c(N)ccc1C(F)(F)F ZINC000575718977 387430475 /nfs/dbraw/zinc/43/04/75/387430475.db2.gz MBWKTLFMPWCXSM-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN CCc1cc(OC(F)F)c(N)cc1CC#N ZINC000575716047 387430538 /nfs/dbraw/zinc/43/05/38/387430538.db2.gz GXNFCASSWFBCMI-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN CCc1cc(N)cc(CC#N)c1OC(F)F ZINC000575716023 387430603 /nfs/dbraw/zinc/43/06/03/387430603.db2.gz GBEXJPYHUXZZBH-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN CCc1ccc(OC(F)F)c(N)c1CC#N ZINC000575716233 387431576 /nfs/dbraw/zinc/43/15/76/387431576.db2.gz ORZZOTMISUZPBU-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN COc1c(N)cc(C(F)(F)F)cc1CC#N ZINC000575716423 387431683 /nfs/dbraw/zinc/43/16/83/387431683.db2.gz GGHHZAWWEVAAMF-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN N#CCc1cc(N)cc(OC(F)F)c1F ZINC000575716175 387431779 /nfs/dbraw/zinc/43/17/79/387431779.db2.gz MGRULBXVHJWVMC-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN CCOc1cc(OC(F)F)cc(N)c1CC#N ZINC000575716102 387432417 /nfs/dbraw/zinc/43/24/17/387432417.db2.gz JQIXZABMNPFPGE-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN CCc1c(N)cc(OC(F)F)cc1CC#N ZINC000575716540 387433939 /nfs/dbraw/zinc/43/39/39/387433939.db2.gz RWONHEYTFCCWGB-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN C#CC(=O)Cc1ccc(Br)cc1F ZINC000575519382 387435698 /nfs/dbraw/zinc/43/56/98/387435698.db2.gz PPGDUICVDOWABV-UHFFFAOYSA-N 0 0 241.059 2.333 10 30 BEEERN N#CCc1cc(C(F)(F)F)c(O)cc1N ZINC000575719605 387439910 /nfs/dbraw/zinc/43/99/10/387439910.db2.gz VOBQIQMTZWKJRB-UHFFFAOYSA-N 0 0 216.162 2.059 10 30 BEEERN O=C1C=CC=CC1=C1Nc2ccccc2O1 ZINC000103653079 387454032 /nfs/dbraw/zinc/45/40/32/387454032.db2.gz UWUSYRFTCSSHAJ-UKTHLTGXSA-N 0 0 211.220 2.398 10 30 BEEERN C=C[C@H](NC)c1occc1Br ZINC000575509020 387391870 /nfs/dbraw/zinc/39/18/70/387391870.db2.gz USVSHPNWFRMNDT-ZETCQYMHSA-N 0 0 216.078 2.489 10 30 BEEERN CCOc1cc(C)c([N+](=O)[O-])c(CC#N)c1 ZINC000575699683 387403963 /nfs/dbraw/zinc/40/39/63/387403963.db2.gz WFXRJKJPOULVDB-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN N#CCc1c(N)c(Br)ccc1F ZINC000575713721 387417382 /nfs/dbraw/zinc/41/73/82/387417382.db2.gz AXTCKOHVIPPCLQ-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN C=CC[C@@H](Cc1ccccc1)NC1=NCCO1 ZINC000584626882 387504047 /nfs/dbraw/zinc/50/40/47/387504047.db2.gz IEEIHCPYLMHGFY-ZDUSSCGKSA-N 0 0 230.311 2.150 10 30 BEEERN CCn1ccnc1COc1ccccc1C#N ZINC000052345214 387467796 /nfs/dbraw/zinc/46/77/96/387467796.db2.gz ALWDMJLDPSTHDS-UHFFFAOYSA-N 0 0 227.267 2.354 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@H]2C[C@H]2C)n1 ZINC000052291225 387469541 /nfs/dbraw/zinc/46/95/41/387469541.db2.gz LQAQSYQKHYSCHT-KCJUWKMLSA-N 0 0 201.273 2.390 10 30 BEEERN Cc1ccc(Br)nc1CC#N ZINC000306606560 387590421 /nfs/dbraw/zinc/59/04/21/387590421.db2.gz RSQFWZSUSIBIQF-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN CC(C)c1cc(C(=O)NC2(C#N)CCCC2)[nH]n1 ZINC000124804112 387634878 /nfs/dbraw/zinc/63/48/78/387634878.db2.gz UVEUNGBDTFKVNN-UHFFFAOYSA-N 0 0 246.314 2.099 10 30 BEEERN CC=CC(=O)[C@@H]1SCCS[C@@H]1C ZINC000575550400 387643306 /nfs/dbraw/zinc/64/33/06/387643306.db2.gz RKODBOYSVQTHOI-QOQPHZPJSA-N 0 0 202.344 2.369 10 30 BEEERN N#CCc1cc(C#N)c(F)cc1OC(F)F ZINC000575640963 387841350 /nfs/dbraw/zinc/84/13/50/387841350.db2.gz QVWZCJQFWPUBIQ-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN Cc1ccc(O)c(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061888890 387848926 /nfs/dbraw/zinc/84/89/26/387848926.db2.gz KIJWIVRDFXRVQH-JQWIXIFHSA-N 0 0 244.294 2.123 10 30 BEEERN CCc1cc(OC)cc(CC#N)c1C#N ZINC000575643911 387870532 /nfs/dbraw/zinc/87/05/32/387870532.db2.gz DHSZJTCWOHHKDN-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN N#CCc1cc(C#N)c(O)cc1C(F)F ZINC000575644378 387872510 /nfs/dbraw/zinc/87/25/10/387872510.db2.gz YFVLITHOZHPMHA-UHFFFAOYSA-N 0 0 208.167 2.268 10 30 BEEERN COc1cc(OC(F)(F)F)cc(CC#N)n1 ZINC000393741064 387819659 /nfs/dbraw/zinc/81/96/59/387819659.db2.gz BJPBVQXXDYRAHW-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN CCc1cc(OC(F)F)cc(C#N)c1O ZINC000575653421 387895780 /nfs/dbraw/zinc/89/57/80/387895780.db2.gz GVYXFJOUAYXQMW-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCc1cc(C#N)cc(O)c1OC(F)F ZINC000575653358 387896022 /nfs/dbraw/zinc/89/60/22/387896022.db2.gz FRVUEHMRDSPPMO-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCc1cc(OC(F)F)cc(O)c1C#N ZINC000575653494 387896274 /nfs/dbraw/zinc/89/62/74/387896274.db2.gz JOFRIKUNQZMDSU-UHFFFAOYSA-N 0 0 213.183 2.428 10 30 BEEERN CCOc1c(C)cc(CC#N)cc1C#N ZINC000575651136 387886881 /nfs/dbraw/zinc/88/68/81/387886881.db2.gz YDGFVHRAGANIDT-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN CCOc1c(C#N)cc(CC#N)cc1OC ZINC000575649739 387887866 /nfs/dbraw/zinc/88/78/66/387887866.db2.gz SJXSXZXWBXTLRW-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN Cc1cc(C)c(C)c(OCC/C(N)=N/O)c1 ZINC000026514863 177852789 /nfs/dbraw/zinc/85/27/89/177852789.db2.gz DAKQAVUDICDCEQ-UHFFFAOYSA-N 0 0 222.288 2.127 10 30 BEEERN C#CCN(C)c1ccc(C(C)=O)cc1F ZINC000130213504 387967396 /nfs/dbraw/zinc/96/73/96/387967396.db2.gz JACHRKIBIOXXHV-UHFFFAOYSA-N 0 0 205.232 2.098 10 30 BEEERN C#CC[N@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083403056 388051843 /nfs/dbraw/zinc/05/18/43/388051843.db2.gz DERNFNNBYRRLAZ-LBPRGKRZSA-N 0 0 245.322 2.126 10 30 BEEERN CCc1ccc2c(c1)NC(=O)/C2=N\OC1CCC1 ZINC000042750334 388112316 /nfs/dbraw/zinc/11/23/16/388112316.db2.gz KPISGDHJBPAFFI-UHFFFAOYSA-N 0 0 244.294 2.474 10 30 BEEERN C#CC[C@@H](O)c1ccc(Br)cc1N ZINC000575517370 388354265 /nfs/dbraw/zinc/35/42/65/388354265.db2.gz NKAMUIGTXWSBET-SNVBAGLBSA-N 0 0 240.100 2.088 10 30 BEEERN CCOC(=O)c1c(C=O)cc(C#N)cc1CC ZINC000575387632 388464108 /nfs/dbraw/zinc/46/41/08/388464108.db2.gz MSQSCWTVVDMJQQ-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN Cc1cc(C(=O)N(CCC#N)C2CC2)c(C)o1 ZINC000042359116 177746193 /nfs/dbraw/zinc/74/61/93/177746193.db2.gz KZNYJZQMMMSDNW-UHFFFAOYSA-N 0 0 232.283 2.415 10 30 BEEERN CCc1cnccc1C(=O)N(CC)C[C@@H](C)C#N ZINC000136478969 388538539 /nfs/dbraw/zinc/53/85/39/388538539.db2.gz DYFMDBYXKBITSH-NSHDSACASA-N 0 0 245.326 2.266 10 30 BEEERN C=CC[C@H](C)NC(=O)CCCSC ZINC000135334922 388491576 /nfs/dbraw/zinc/49/15/76/388491576.db2.gz JQLLWALIHHOQSP-VIFPVBQESA-N 0 0 201.335 2.210 10 30 BEEERN C[C@H]1[C@@H](O)CCCN1Cc1cc(C#N)ccc1F ZINC000296271780 388600998 /nfs/dbraw/zinc/60/09/98/388600998.db2.gz OKXGJXMYCXAOCB-HZMBPMFUSA-N 0 0 248.301 2.043 10 30 BEEERN CCS[C@@H]1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC000301991677 388618074 /nfs/dbraw/zinc/61/80/74/388618074.db2.gz MUKBURDNYGYBQP-MWLCHTKSSA-N 0 0 248.355 2.434 10 30 BEEERN Cc1csc(CN(C)c2ccc(C#N)cn2)n1 ZINC000301263608 388611092 /nfs/dbraw/zinc/61/10/92/388611092.db2.gz DPICBIATFCBALK-UHFFFAOYSA-N 0 0 244.323 2.355 10 30 BEEERN Cc1csc(CN(C)c2ccc(C#N)nc2)n1 ZINC000301556326 388613069 /nfs/dbraw/zinc/61/30/69/388613069.db2.gz ZWVODKUWOMEACX-UHFFFAOYSA-N 0 0 244.323 2.355 10 30 BEEERN CC(C)COCCNc1ccc(C#N)cn1 ZINC000076847932 388670452 /nfs/dbraw/zinc/67/04/52/388670452.db2.gz SJAAWGRFDMEXOT-UHFFFAOYSA-N 0 0 219.288 2.038 10 30 BEEERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1C#N ZINC000191836117 388671340 /nfs/dbraw/zinc/67/13/40/388671340.db2.gz PTWCMLMQFHLWPY-ZYHUDNBSSA-N 0 0 244.294 2.312 10 30 BEEERN Cc1cc(=O)oc2cc(OCCC=O)ccc12 ZINC000062544855 177720619 /nfs/dbraw/zinc/72/06/19/177720619.db2.gz NLLCEVGVBXSVDF-UHFFFAOYSA-N 0 0 232.235 2.069 10 30 BEEERN CCCCN(CC)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302715915 388625716 /nfs/dbraw/zinc/62/57/16/388625716.db2.gz JJCYBFSRBWNBPD-UHFFFAOYSA-N 0 0 248.286 2.488 10 30 BEEERN CSCCN(C)c1cc(C)nc(C)c1C#N ZINC000123299402 388649584 /nfs/dbraw/zinc/64/95/84/388649584.db2.gz OJVVAWXPFSGBMS-UHFFFAOYSA-N 0 0 235.356 2.369 10 30 BEEERN N#Cc1cnc(NCCCC(F)(F)F)cn1 ZINC000124361518 388747367 /nfs/dbraw/zinc/74/73/67/388747367.db2.gz GHLMUSHKBXXSCW-UHFFFAOYSA-N 0 0 230.193 2.103 10 30 BEEERN CS[C@@]1(C)c2cccc(C#N)c2NC1=O ZINC000390822105 388754945 /nfs/dbraw/zinc/75/49/45/388754945.db2.gz DTSJJPWAFBMZRB-NSHDSACASA-N 0 0 218.281 2.089 10 30 BEEERN NC(=O)c1ccccc1N=Cc1cccc(O)c1 ZINC000254517175 388813761 /nfs/dbraw/zinc/81/37/61/388813761.db2.gz PESOSUFSXBILOI-UHFFFAOYSA-N 0 0 240.262 2.242 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130682517 388766316 /nfs/dbraw/zinc/76/63/16/388766316.db2.gz WZWPREAGUXTQAC-PSASIEDQSA-N 0 0 247.254 2.056 10 30 BEEERN CC1CC(C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000541886434 388873007 /nfs/dbraw/zinc/87/30/07/388873007.db2.gz TVZQKGAMVMEMIM-UHFFFAOYSA-N 0 0 220.316 2.185 10 30 BEEERN C[C@@H]1SCC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495839 388959485 /nfs/dbraw/zinc/95/94/85/388959485.db2.gz CNFIHQRHBSTLBW-GZMMTYOYSA-N 0 0 242.344 2.299 10 30 BEEERN C=CCCCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000274595645 389047308 /nfs/dbraw/zinc/04/73/08/389047308.db2.gz OJLOADKYJZWMHE-UHFFFAOYSA-N 0 0 237.347 2.183 10 30 BEEERN C#Cc1cccc(NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000191655624 533348717 /nfs/dbraw/zinc/34/87/17/533348717.db2.gz LBWWCQLUHUHFNT-RISCZKNCSA-N 0 0 243.306 2.422 10 30 BEEERN N#Cc1c(Cl)cccc1NCC1CC(O)C1 ZINC000084448903 322835667 /nfs/dbraw/zinc/83/56/67/322835667.db2.gz POHFVLZMOCNVLC-UHFFFAOYSA-N 0 0 236.702 2.394 10 30 BEEERN C[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H](C)O1 ZINC000049401441 132228403 /nfs/dbraw/zinc/22/84/03/132228403.db2.gz NEPPTASCFFSMPT-NXEZZACHSA-N 0 0 234.274 2.311 10 30 BEEERN N#Cc1ccc(N2CC[C@H]3OCC[C@H]3C2)c(F)c1 ZINC000368471808 132283627 /nfs/dbraw/zinc/28/36/27/132283627.db2.gz TVEXPNXYQAAZRD-SMDDNHRTSA-N 0 0 246.285 2.313 10 30 BEEERN N#Cc1ccnc(N2CCC[C@H]3CCC[C@H]32)n1 ZINC000297040582 132308045 /nfs/dbraw/zinc/30/80/45/132308045.db2.gz HVVVNGMOZPZBDW-ZYHUDNBSSA-N 0 0 228.299 2.117 10 30 BEEERN N#Cc1ccnc(N2CCC[C@@H]3CCC[C@H]32)n1 ZINC000297040576 132308048 /nfs/dbraw/zinc/30/80/48/132308048.db2.gz HVVVNGMOZPZBDW-CMPLNLGQSA-N 0 0 228.299 2.117 10 30 BEEERN Cc1ccc2c(c1)CCCN2C[C@@H]1CO1 ZINC000019438423 132325255 /nfs/dbraw/zinc/32/52/55/132325255.db2.gz AFMOFYPKKAGCBX-GFCCVEGCSA-N 0 0 203.285 2.146 10 30 BEEERN N#CCCCN1C(=O)CCc2ccc(F)cc21 ZINC000037225732 132343607 /nfs/dbraw/zinc/34/36/07/132343607.db2.gz UGMKFSMPYLHGBD-UHFFFAOYSA-N 0 0 232.258 2.409 10 30 BEEERN N#Cc1cc(N2CCCCC2)ccc1N ZINC000039645081 132347109 /nfs/dbraw/zinc/34/71/09/132347109.db2.gz PFVGLFKHQGRTRA-UHFFFAOYSA-N 0 0 201.273 2.131 10 30 BEEERN O=C[C@]1(CN2CCCc3ccccc32)CCOC1 ZINC000051175968 132359725 /nfs/dbraw/zinc/35/97/25/132359725.db2.gz KUNVRVZLRNVIBE-OAHLLOKOSA-N 0 0 245.322 2.045 10 30 BEEERN N#CCCCN1CCCc2ccc(N)cc21 ZINC000051296735 132359844 /nfs/dbraw/zinc/35/98/44/132359844.db2.gz CUPAYZHFJKDMLV-UHFFFAOYSA-N 0 0 215.300 2.325 10 30 BEEERN N#Cc1ccc(N2CCCC[C@@H]2C=O)c(F)c1 ZINC000054268351 132363764 /nfs/dbraw/zinc/36/37/64/132363764.db2.gz CDTIABYWHGMBQC-LLVKDONJSA-N 0 0 232.258 2.255 10 30 BEEERN O=CC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000054268446 132363769 /nfs/dbraw/zinc/36/37/69/132363769.db2.gz ZWCRMZYDBMANJL-UHFFFAOYSA-N 0 0 234.255 2.010 10 30 BEEERN Cc1ccc(N2CCCC[C@H]2C=O)c([N+](=O)[O-])c1 ZINC000054268226 132363774 /nfs/dbraw/zinc/36/37/74/132363774.db2.gz LIKKWDDAIWATPS-NSHDSACASA-N 0 0 248.282 2.461 10 30 BEEERN O=C[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000054268610 132364009 /nfs/dbraw/zinc/36/40/09/132364009.db2.gz XQDYRCKAQTVIEX-NSHDSACASA-N 0 0 241.294 2.045 10 30 BEEERN C[C@@H](C#N)CNc1ccc(N2CCOCC2)cc1 ZINC000060533118 132368805 /nfs/dbraw/zinc/36/88/05/132368805.db2.gz DENIUZVLFVDAED-LBPRGKRZSA-N 0 0 245.326 2.095 10 30 BEEERN CCC[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC000126969808 132439604 /nfs/dbraw/zinc/43/96/04/132439604.db2.gz LDNBYNLDNZLTKL-LLVKDONJSA-N 0 0 230.315 2.365 10 30 BEEERN Cc1occc1CN[C@H]1CCC[C@@H]1C#N ZINC000309074928 133454920 /nfs/dbraw/zinc/45/49/20/133454920.db2.gz JAMPZQBJPJYEAR-PWSUYJOCSA-N 0 0 204.273 2.370 10 30 BEEERN CC1=C(Br)CN([C@@H](C)C#N)CC1 ZINC000281220252 133557312 /nfs/dbraw/zinc/55/73/12/133557312.db2.gz SXBWXQXEDMTKJD-QMMMGPOBSA-N 0 0 229.121 2.273 10 30 BEEERN C[C@H](CC#N)N1CCC=C(Br)C1 ZINC000281691894 133558468 /nfs/dbraw/zinc/55/84/68/133558468.db2.gz RWTITUUCEGICBX-MRVPVSSYSA-N 0 0 229.121 2.273 10 30 BEEERN O=C(NCCn1cnnc1C1CC1)C1CC=CC1 ZINC000329585107 133963983 /nfs/dbraw/zinc/96/39/83/133963983.db2.gz RBZWOOGFFGXBLB-UHFFFAOYSA-N 0 0 246.314 2.078 10 30 BEEERN C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCCCC(=O)N1 ZINC000329866308 133990137 /nfs/dbraw/zinc/99/01/37/133990137.db2.gz AYLOPDLPEGSGDO-LPEHRKFASA-N 0 0 240.303 2.019 10 30 BEEERN Cc1nccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)n1 ZINC000330262102 133999135 /nfs/dbraw/zinc/99/91/35/133999135.db2.gz UROTXGZZTCUKLC-MNOVXSKESA-N 0 0 246.314 2.205 10 30 BEEERN CC1(C)CCCN(C[C@@H]2CCCO2)[C@H]1C#N ZINC000336341754 134144001 /nfs/dbraw/zinc/14/40/01/134144001.db2.gz VTHKGCOTEHWRHE-RYUDHWBXSA-N 0 0 222.332 2.180 10 30 BEEERN C=CCO[C@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000302187422 134157576 /nfs/dbraw/zinc/15/75/76/134157576.db2.gz UTASBQOBBOHTNB-LBPRGKRZSA-N 0 0 245.326 2.135 10 30 BEEERN N#CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000302287917 134157798 /nfs/dbraw/zinc/15/77/98/134157798.db2.gz KOYKNGWTBDCNTC-UHFFFAOYSA-N 0 0 211.608 2.184 10 30 BEEERN C[C@H](C#N)N1CCC[C@H]1c1nccs1 ZINC000371694821 134229251 /nfs/dbraw/zinc/22/92/51/134229251.db2.gz UYUKPKBDLUSTIF-BDAKNGLRSA-N 0 0 207.302 2.192 10 30 BEEERN CC#CCNC(=O)C[C@H]1CCOc2ccccc21 ZINC000121436852 134233947 /nfs/dbraw/zinc/23/39/47/134233947.db2.gz GEKWWBNGFXJMJL-GFCCVEGCSA-N 0 0 243.306 2.082 10 30 BEEERN CCCC(C#N)(CCC)NC(=O)[C@@H](C)COC ZINC000121839321 134236045 /nfs/dbraw/zinc/23/60/45/134236045.db2.gz NALUZEHPEVHUCA-NSHDSACASA-N 0 0 240.347 2.248 10 30 BEEERN COc1cccc([C@@H](C)N(C)CC#N)c1 ZINC000123016879 134242275 /nfs/dbraw/zinc/24/22/75/134242275.db2.gz RQNIESKLYNUJLO-SNVBAGLBSA-N 0 0 204.273 2.212 10 30 BEEERN CCCO[C@@H]1CCCN([C@@H](C)C#N)CC1 ZINC000181862902 134339863 /nfs/dbraw/zinc/33/98/63/134339863.db2.gz ZLDDSOIEOGSKRP-NWDGAFQWSA-N 0 0 210.321 2.180 10 30 BEEERN C[C@@H]1CC=CC[C@H]1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000408071776 134386372 /nfs/dbraw/zinc/38/63/72/134386372.db2.gz LNZDSBYIPCLQFI-XQHKEYJVSA-N 0 0 232.327 2.397 10 30 BEEERN N#CC1(NC(=O)/C=C/c2ccco2)CCCC1 ZINC000060852389 134392361 /nfs/dbraw/zinc/39/23/61/134392361.db2.gz OHQDJYSTDSIBGW-AATRIKPKSA-N 0 0 230.267 2.245 10 30 BEEERN C[C@@H](C#N)N(C)CCCOc1ccccc1 ZINC000061815843 134393301 /nfs/dbraw/zinc/39/33/01/134393301.db2.gz YUPIHTZDYQINKN-LBPRGKRZSA-N 0 0 218.300 2.299 10 30 BEEERN Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H]2C#N)n1 ZINC000408109634 134393793 /nfs/dbraw/zinc/39/37/93/134393793.db2.gz YYLLEHJYKAGUDE-ZYHUDNBSSA-N 0 0 226.283 2.366 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(CC#N)cc2)O1 ZINC000124033003 134606037 /nfs/dbraw/zinc/60/60/37/134606037.db2.gz OYIRAZJZLCHPHP-MFKMUULPSA-N 0 0 244.294 2.259 10 30 BEEERN C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCCO1 ZINC000135009043 134730581 /nfs/dbraw/zinc/73/05/81/134730581.db2.gz RHSYOSOUCANDSW-AAEUAGOBSA-N 0 0 225.332 2.226 10 30 BEEERN C=CCCCN(C)C(=O)C1(C#N)CCCC1 ZINC000134879552 134769851 /nfs/dbraw/zinc/76/98/51/134769851.db2.gz IFNDANCPBPQUCF-UHFFFAOYSA-N 0 0 220.316 2.495 10 30 BEEERN CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061888599 134802724 /nfs/dbraw/zinc/80/27/24/134802724.db2.gz ZSKFNQMYXDDMNT-NXEZZACHSA-N 0 0 208.305 2.231 10 30 BEEERN Cc1ccccc1CC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061888904 134803973 /nfs/dbraw/zinc/80/39/73/134803973.db2.gz QAXLBNCSFZBJBH-KGLIPLIRSA-N 0 0 242.322 2.346 10 30 BEEERN Cc1ccccc1CC(=O)N[C@H]1CCC[C@H]1C#N ZINC000061888906 134804264 /nfs/dbraw/zinc/80/42/64/134804264.db2.gz QAXLBNCSFZBJBH-KBPBESRZSA-N 0 0 242.322 2.346 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccsc1 ZINC000061888969 134804656 /nfs/dbraw/zinc/80/46/56/134804656.db2.gz AMHQUHJTLMENPE-WCBMZHEXSA-N 0 0 220.297 2.170 10 30 BEEERN C=CC[C@H](C)NC(=O)c1ccc(COC)o1 ZINC000116861629 134929728 /nfs/dbraw/zinc/92/97/28/134929728.db2.gz FUZQTZKLKVYILS-VIFPVBQESA-N 0 0 223.272 2.120 10 30 BEEERN C[C@@H](C#N)N1CCC[C@@H](c2nccs2)C1 ZINC000248440632 135009343 /nfs/dbraw/zinc/00/93/43/135009343.db2.gz DEHUCWLKVFDXRV-VHSXEESVSA-N 0 0 221.329 2.235 10 30 BEEERN C[C@@H](C#N)CN(C)C[C@H]1Cc2ccccc2O1 ZINC000251145323 135065089 /nfs/dbraw/zinc/06/50/89/135065089.db2.gz XCRLRNJEOOAAGY-WCQYABFASA-N 0 0 230.311 2.082 10 30 BEEERN C[C@@H](CC#N)N(C)C[C@H]1Cc2ccccc2O1 ZINC000251576631 135071612 /nfs/dbraw/zinc/07/16/12/135071612.db2.gz NIIUARUVBAQQBR-WCQYABFASA-N 0 0 230.311 2.224 10 30 BEEERN C=CCCS(=O)(=O)NC(C)(CC)CC ZINC000120581269 135219445 /nfs/dbraw/zinc/21/94/45/135219445.db2.gz ZRZOVQQCLBQTAH-UHFFFAOYSA-N 0 0 219.350 2.061 10 30 BEEERN C#CCSCCNC(=O)NC(C)(CC)CC ZINC000121240241 135222149 /nfs/dbraw/zinc/22/21/49/135222149.db2.gz KQDBFXITPKHIIU-UHFFFAOYSA-N 0 0 242.388 2.231 10 30 BEEERN CCOc1cc(C(=O)N[C@@H](C#N)CC)ccc1C ZINC000113162453 135229547 /nfs/dbraw/zinc/22/95/47/135229547.db2.gz DQLLVEAIESFAKF-GFCCVEGCSA-N 0 0 246.310 2.426 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cn1 ZINC000079729471 135356561 /nfs/dbraw/zinc/35/65/61/135356561.db2.gz ZKZOYGFBSBQBDE-WCBMZHEXSA-N 0 0 249.701 2.157 10 30 BEEERN C[C@@H](C#N)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC000335450010 135414418 /nfs/dbraw/zinc/41/44/18/135414418.db2.gz LPSYMJIWYIRFNN-DTWKUNHWSA-N 0 0 230.258 2.182 10 30 BEEERN C=CCOc1ccccc1C(=O)N1CCCO1 ZINC000125448074 135484131 /nfs/dbraw/zinc/48/41/31/135484131.db2.gz RKLCJGMBIOOOAR-UHFFFAOYSA-N 0 0 233.267 2.029 10 30 BEEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)c1cccnc1 ZINC000088169894 135516827 /nfs/dbraw/zinc/51/68/27/135516827.db2.gz LZRWXSRKVQRFBA-GMXVVIOVSA-N 0 0 215.300 2.424 10 30 BEEERN N#Cc1ccc(C(=O)N2C[C@H]3CCC[C@H]32)cc1 ZINC000335324331 136050865 /nfs/dbraw/zinc/05/08/65/136050865.db2.gz QRWQOBLQOUDNCZ-CHWSQXEVSA-N 0 0 226.279 2.183 10 30 BEEERN Cc1nc(C)c(CN[C@@H]2CCC[C@@H]2C#N)o1 ZINC000381896069 397815794 /nfs/dbraw/zinc/81/57/94/397815794.db2.gz STWVDAJMHSTMGF-GHMZBOCLSA-N 0 0 219.288 2.073 10 30 BEEERN C=C[C@@H](C)Nc1cnn(C)c1Br ZINC000575461957 397943127 /nfs/dbraw/zinc/94/31/27/397943127.db2.gz KVEGHCMSYWJNIJ-ZCFIWIBFSA-N 0 0 230.109 2.169 10 30 BEEERN N#CCc1cccc(O)c1Br ZINC000238723951 397960846 /nfs/dbraw/zinc/96/08/46/397960846.db2.gz VMXQUUCSHWCZHR-UHFFFAOYSA-N 0 0 212.046 2.221 10 30 BEEERN CCC[C@H](C)C(=O)NC1(C#N)CCCC1 ZINC000040216333 397994218 /nfs/dbraw/zinc/99/42/18/397994218.db2.gz DTRIVGQKWYUUGL-JTQLQIEISA-N 0 0 208.305 2.375 10 30 BEEERN CNc1ccccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061890827 398108076 /nfs/dbraw/zinc/10/80/76/398108076.db2.gz UTFUJLDHDPDUAK-PWSUYJOCSA-N 0 0 243.310 2.150 10 30 BEEERN CNc1ccccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000061890829 398108234 /nfs/dbraw/zinc/10/82/34/398108234.db2.gz UTFUJLDHDPDUAK-JQWIXIFHSA-N 0 0 243.310 2.150 10 30 BEEERN C#CCN(CC)c1nc(Cl)c(C#N)s1 ZINC000307408217 398109394 /nfs/dbraw/zinc/10/93/94/398109394.db2.gz DXQACZRTFSDKPX-UHFFFAOYSA-N 0 0 225.704 2.128 10 30 BEEERN CC(C)Nc1cc(Cl)nc2c(C#N)cnn21 ZINC000038993085 167143636 /nfs/dbraw/zinc/14/36/36/167143636.db2.gz HFTLYNKTSANXFA-UHFFFAOYSA-N 0 0 235.678 2.075 10 30 in-vivo BEEERN C#CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000144281905 166114290 /nfs/dbraw/zinc/11/42/90/166114290.db2.gz IWSPPHWTEWSZHD-UHFFFAOYSA-N 0 0 207.273 2.187 10 30 BEEERN C#CCCC(=O)c1ccc(OC)cc1OC ZINC000075421541 166118646 /nfs/dbraw/zinc/11/86/46/166118646.db2.gz OFMQDOLJDDYUNV-UHFFFAOYSA-N 0 0 218.252 2.300 10 30 BEEERN C#CC[NH2+][C@@](CC(C)C)(C(=O)[O-])c1ccccc1 ZINC000041730672 166191107 /nfs/dbraw/zinc/19/11/07/166191107.db2.gz LQPXWHNBIYNNIY-OAHLLOKOSA-N 0 0 245.322 2.235 10 30 BEEERN C#CCN[C@H](C(=O)OC)c1c(C)cc(C)cc1C ZINC000051964068 166192050 /nfs/dbraw/zinc/19/20/50/166192050.db2.gz WHELCHLVIHCOSL-AWEZNQCLSA-N 0 0 245.322 2.049 10 30 BEEERN C#CCN[C@H](C(=O)OCC)c1ccccc1CC ZINC000052204630 166192661 /nfs/dbraw/zinc/19/26/61/166192661.db2.gz SVPBISOQKFAVAE-AWEZNQCLSA-N 0 0 245.322 2.076 10 30 BEEERN C#CCOc1ccccc1CNc1cn[nH]c1 ZINC000035763676 166200581 /nfs/dbraw/zinc/20/05/81/166200581.db2.gz GOMYFBFPKNKIAC-UHFFFAOYSA-N 0 0 227.267 2.034 10 30 BEEERN C#C[C@@](C)(O)c1ccccc1Br ZINC000084877234 166214218 /nfs/dbraw/zinc/21/42/18/166214218.db2.gz QFPIIHGBCPTSMN-SNVBAGLBSA-N 0 0 225.085 2.290 10 30 BEEERN C#Cc1ncccc1C#Cc1csc(C)n1 ZINC000013680987 166225807 /nfs/dbraw/zinc/22/58/07/166225807.db2.gz MUGLKLPMORPOEB-UHFFFAOYSA-N 0 0 224.288 2.228 10 30 BEEERN C=CCN(C(=O)CCC)c1nc(C)co1 ZINC000039246412 166308713 /nfs/dbraw/zinc/30/87/13/166308713.db2.gz WTYKPVITECGXNR-UHFFFAOYSA-N 0 0 208.261 2.302 10 30 BEEERN C=CCN(C(=O)c1cc(F)ccc1N)C(C)C ZINC000037817713 166312637 /nfs/dbraw/zinc/31/26/37/166312637.db2.gz WDMLDLRMTHOTHC-UHFFFAOYSA-N 0 0 236.290 2.445 10 30 BEEERN C=CCN(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000153835397 166317275 /nfs/dbraw/zinc/31/72/75/166317275.db2.gz PPLVGNMDRSKJQT-GFCCVEGCSA-N 0 0 246.310 2.338 10 30 BEEERN C=CCN(CC=C)c1ccc(CO)cc1F ZINC000034956754 166338200 /nfs/dbraw/zinc/33/82/00/166338200.db2.gz SKMLAHQUVREGMT-UHFFFAOYSA-N 0 0 221.275 2.496 10 30 BEEERN C=CCN[C@H](C#N)c1ccc(F)c(F)c1 ZINC000051959911 166406415 /nfs/dbraw/zinc/40/64/15/166406415.db2.gz MRHPPKHTWJWAMD-LLVKDONJSA-N 0 0 208.211 2.305 10 30 BEEERN CC(C)(C#N)S(=O)(=O)c1cc(F)ccc1F ZINC000037934641 166502429 /nfs/dbraw/zinc/50/24/29/166502429.db2.gz OZMMCPUHSKROEN-UHFFFAOYSA-N 0 0 245.250 2.041 10 30 BEEERN CC(C)(C)OC(=O)N[C@H](C#N)c1ccncc1 ZINC000049822813 166666916 /nfs/dbraw/zinc/66/69/16/166666916.db2.gz HHSNUBBYMOIYCO-SNVBAGLBSA-N 0 0 233.271 2.171 10 30 BEEERN CC(C)C1=C(C#N)[C@@H](OC2CC2)C=CN1 ZINC000095722230 166755517 /nfs/dbraw/zinc/75/55/17/166755517.db2.gz NFKZBYYGDUAHLA-QWRGUYRKSA-N 0 0 204.273 2.298 10 30 BEEERN CC(C)NC(=S)N/N=C/C1CCCCC1 ZINC000005120007 167092855 /nfs/dbraw/zinc/09/28/55/167092855.db2.gz XRWNPUATZGGBMO-XYOKQWHBSA-N 0 0 227.377 2.425 10 30 BEEERN CC(C)Oc1cccc(C(=O)N[C@@H](C)C#N)c1 ZINC000061666403 167304408 /nfs/dbraw/zinc/30/44/08/167304408.db2.gz KCHYMYIZSVFRHK-JTQLQIEISA-N 0 0 232.283 2.116 10 30 BEEERN CC(C)Oc1cnc(C#N)c(OC2CC2)c1 ZINC000095721709 167312159 /nfs/dbraw/zinc/31/21/59/167312159.db2.gz VLANBWGBRMRDML-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)Oc1nc(N(C)C[C@H](C)C#N)ccc1N ZINC000042455149 167313107 /nfs/dbraw/zinc/31/31/07/167313107.db2.gz JKFGADPRSXBFDW-SNVBAGLBSA-N 0 0 248.330 2.047 10 30 BEEERN CC(C)[C@@H](C)N(C)c1ncc(N)cc1C#N ZINC000037759136 167371535 /nfs/dbraw/zinc/37/15/35/167371535.db2.gz MINOLNASGMERBO-SECBINFHSA-N 0 0 218.304 2.016 10 30 BEEERN N#Cc1nc(Cl)nc(-c2ccccc2)n1 ZINC000584615551 411170058 /nfs/dbraw/zinc/17/00/58/411170058.db2.gz VOMVOVXFFJDZEZ-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN Clc1ccc(C=Nc2nc[nH]n2)cc1 ZINC000254876381 411186121 /nfs/dbraw/zinc/18/61/21/411186121.db2.gz WQPATOORNHONHN-UHFFFAOYSA-N 0 0 206.636 2.209 10 30 BEEERN CC1(C)CC(=O)c2cc(C#N)ccc2O1 ZINC000140262370 167884320 /nfs/dbraw/zinc/88/43/20/167884320.db2.gz RGYKRQIZIXTZDV-UHFFFAOYSA-N 0 0 201.225 2.302 10 30 BEEERN C=CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000054652237 411350703 /nfs/dbraw/zinc/35/07/03/411350703.db2.gz SLJFXLLPFBEZMU-KGLIPLIRSA-N 0 0 245.322 2.457 10 30 BEEERN CC1(C)CN=C(Nc2ccccn2)S1 ZINC000020354436 167965679 /nfs/dbraw/zinc/96/56/79/167965679.db2.gz SCHDNXSEEDHCRA-UHFFFAOYSA-N 0 0 207.302 2.184 10 30 BEEERN Cc1[nH]c2c(c1C)C(=O)C(=O)C(C)=C2C ZINC000204911020 168086806 /nfs/dbraw/zinc/08/68/06/168086806.db2.gz BZODTTKZBBPMHS-UHFFFAOYSA-N 0 0 203.241 2.190 10 30 BEEERN Cc1[nH]c2c(c(=O)c1CC(C)C)CC(=O)N2 ZINC000100102863 168087419 /nfs/dbraw/zinc/08/74/19/168087419.db2.gz KHYIPNNGDABHCM-SECBINFHSA-N 0 0 220.272 2.264 10 30 BEEERN CCN[C@]1(C#N)CCCN(Cc2ccccc2)C1 ZINC000036904580 170170620 /nfs/dbraw/zinc/17/06/20/170170620.db2.gz JWRPURDVWKBUCY-HNNXBMFYSA-N 0 0 243.354 2.154 10 30 BEEERN CCN[C@]1(C#N)CCCc2sccc21 ZINC000061329600 170170751 /nfs/dbraw/zinc/17/07/51/170170751.db2.gz WRZWGIGTPBGSDR-NSHDSACASA-N 0 0 206.314 2.413 10 30 BEEERN CCOC(=O)C=CNc1ccccc1OC ZINC000100487154 170188552 /nfs/dbraw/zinc/18/85/52/170188552.db2.gz ZAMJRRIHSLETJI-LCYFTJDESA-N 0 0 221.256 2.351 10 30 BEEERN CCOC(=O)CCNc1cc(C)ccc1C#N ZINC000051578460 170210210 /nfs/dbraw/zinc/21/02/10/170210210.db2.gz RACXHDADWCUVJW-UHFFFAOYSA-N 0 0 232.283 2.232 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1ccccc1C ZINC000002530093 170244703 /nfs/dbraw/zinc/24/47/03/170244703.db2.gz CLVFCYRZVOKCDP-NSHDSACASA-N 0 0 203.241 2.165 10 30 BEEERN CCOC(=O)[C@@H](C#N)Cc1ccccc1F ZINC000034784081 170244782 /nfs/dbraw/zinc/24/47/82/170244782.db2.gz KWSSNXKQLCXYJS-SNVBAGLBSA-N 0 0 221.231 2.071 10 30 BEEERN CCOC(=O)[C@@H](C)c1ccc(C#N)c(OC)c1 ZINC000098178801 170248895 /nfs/dbraw/zinc/24/88/95/170248895.db2.gz UPJSNCXXJAWKLT-VIFPVBQESA-N 0 0 233.267 2.233 10 30 BEEERN CCOC(=O)[C@H](C#N)c1ccc(C)c(OC)c1 ZINC000061613876 170264037 /nfs/dbraw/zinc/26/40/37/170264037.db2.gz KIYPIXUIAPZWNN-LLVKDONJSA-N 0 0 233.267 2.174 10 30 BEEERN CCOC(=O)c1[nH]c(C)c(C#N)c1Cl ZINC000098179222 170286673 /nfs/dbraw/zinc/28/66/73/170286673.db2.gz CNLQUBPMNMIICC-UHFFFAOYSA-N 0 0 212.636 2.025 10 30 BEEERN CCOC(=O)c1cccc([C@@H](C)C#N)c1 ZINC000095916009 170299474 /nfs/dbraw/zinc/29/94/74/170299474.db2.gz PNFKSWIYJZJXIM-VIFPVBQESA-N 0 0 203.241 2.490 10 30 BEEERN CCOC(C#C[C@H](O)c1ccccc1)OCC ZINC000072236490 170311832 /nfs/dbraw/zinc/31/18/32/170311832.db2.gz GZLWMAJAHRHXHJ-ZDUSSCGKSA-N 0 0 234.295 2.123 10 30 BEEERN CCOC(CN(C)c1cccc(C#N)c1)OCC ZINC000104354551 170314866 /nfs/dbraw/zinc/31/48/66/170314866.db2.gz WDHOICADWJAZOV-UHFFFAOYSA-N 0 0 248.326 2.394 10 30 BEEERN CCO[C@H](CCNc1cnc(C#N)cn1)C(C)C ZINC000126114460 170503401 /nfs/dbraw/zinc/50/34/01/170503401.db2.gz RLPRJLBUGCVLSU-GFCCVEGCSA-N 0 0 248.330 2.211 10 30 BEEERN CCOc1cccc([C@@H](C#N)N(C)C)c1 ZINC000019934525 170583655 /nfs/dbraw/zinc/58/36/55/170583655.db2.gz DJYBNFPLCWJRDO-GFCCVEGCSA-N 0 0 204.273 2.212 10 30 BEEERN CCSCC[C@H](C)Nc1cnc(C#N)cn1 ZINC000128429268 170643838 /nfs/dbraw/zinc/64/38/38/170643838.db2.gz XWNLBPWVCZOVRO-VIFPVBQESA-N 0 0 236.344 2.292 10 30 BEEERN CC[C@@H](C#N)Sc1sc(N)nc1C ZINC000043542926 170660467 /nfs/dbraw/zinc/66/04/67/170660467.db2.gz WYFGCZWWWRZRQH-LURJTMIESA-N 0 0 213.331 2.428 10 30 BEEERN CC[C@@H](C)CN(C)C(=O)[C@H](C#N)C(C)C ZINC000044822417 170696338 /nfs/dbraw/zinc/69/63/38/170696338.db2.gz BZDZFWVFBALKIK-GHMZBOCLSA-N 0 0 210.321 2.287 10 30 BEEERN CC[C@@H](C)OCc1ccc(/C(N)=N/O)cc1F ZINC000048264816 170765613 /nfs/dbraw/zinc/76/56/13/170765613.db2.gz VGFNDIBUOLLKAI-MRVPVSSYSA-N 0 0 240.278 2.235 10 30 BEEERN CC[C@@H](C)Sc1ncccc1/C(N)=N/O ZINC000019870268 170767927 /nfs/dbraw/zinc/76/79/27/170767927.db2.gz MMNZNWPVEWMDDI-SSDOTTSWSA-N 0 0 225.317 2.067 10 30 BEEERN CC[C@H](C)N[C@@H](C#N)c1ccc(O)c(OC)c1 ZINC000038064713 171345342 /nfs/dbraw/zinc/34/53/42/171345342.db2.gz CLEBYQVUCWSMPZ-ONGXEEELSA-N 0 0 234.299 2.354 10 30 BEEERN CC[C@H](C)N[C@H](C#N)c1ccc2c(c1)OCCO2 ZINC000038064449 171347068 /nfs/dbraw/zinc/34/70/68/171347068.db2.gz AJBOGXQCFCQTCI-CMPLNLGQSA-N 0 0 246.310 2.411 10 30 BEEERN CC[C@H](C)OCc1ccc(F)c(C#CCO)c1 ZINC000049622039 171355208 /nfs/dbraw/zinc/35/52/08/171355208.db2.gz VMZIBWMVENZKTK-NSHDSACASA-N 0 0 236.286 2.485 10 30 BEEERN CC[C@H](C)[C@@H](C)N=C(NC#N)Nc1ccncc1 ZINC000026576312 171357616 /nfs/dbraw/zinc/35/76/16/171357616.db2.gz XQFFURSERZYVPP-WDEREUQCSA-N 0 0 245.330 2.355 10 30 BEEERN CCc1ccc(C(=O)N2CCC(=NO)CC2)cc1 ZINC000019502454 171784486 /nfs/dbraw/zinc/78/44/86/171784486.db2.gz KNJOIFIHAAHJFZ-UHFFFAOYSA-N 0 0 246.310 2.315 10 30 BEEERN CCc1ccccc1N(OC(C)=O)OC(C)=O ZINC000055161665 171884588 /nfs/dbraw/zinc/88/45/88/171884588.db2.gz DMLYCDIHRYMVKM-UHFFFAOYSA-N 0 0 237.255 2.012 10 30 BEEERN CCc1nn(-c2cc(C)ncn2)c(Cl)c1C#N ZINC000104265122 172037804 /nfs/dbraw/zinc/03/78/04/172037804.db2.gz RFKGNMMFSAKCFG-UHFFFAOYSA-N 0 0 247.689 2.058 10 30 BEEERN CCn1c2cc(C)ccc2cc(C#N)c1=O ZINC000039288582 172131550 /nfs/dbraw/zinc/13/15/50/172131550.db2.gz DWSQVQALLCMEMK-UHFFFAOYSA-N 0 0 212.252 2.202 10 30 BEEERN CCn1c(C)nnc1COc1ccccc1C#N ZINC000194658945 172141274 /nfs/dbraw/zinc/14/12/74/172141274.db2.gz CWJNSVZZTNTFNE-UHFFFAOYSA-N 0 0 242.282 2.057 10 30 BEEERN CCn1cnc(-c2ccc(C#N)cc2)c1N ZINC000104900904 172230886 /nfs/dbraw/zinc/23/08/86/172230886.db2.gz VCXMFEYNJZTRJR-UHFFFAOYSA-N 0 0 212.256 2.024 10 30 BEEERN CN(C)/C=C\C(=O)c1ccc2c(c1)OCCCO2 ZINC000103056892 172351236 /nfs/dbraw/zinc/35/12/36/172351236.db2.gz YLVGILBUYDYDQO-SREVYHEPSA-N 0 0 247.294 2.106 10 30 BEEERN CN(C)/N=C/c1cn(C)c2ccccc12 ZINC000003206956 172352413 /nfs/dbraw/zinc/35/24/13/172352413.db2.gz QIJZWQROAOIYJZ-MDWZMJQESA-N 0 0 201.273 2.074 10 30 BEEERN CN(C)C=[NH+][N-]c1nc2ccccc2s1 ZINC000096336244 172352427 /nfs/dbraw/zinc/35/24/27/172352427.db2.gz WUNXRHOLAURUDP-YRNVUSSQSA-N 0 0 220.301 2.213 10 30 BEEERN CN(CC(=O)c1ccco1)c1cccc(C#N)c1 ZINC000061954325 172620273 /nfs/dbraw/zinc/62/02/73/172620273.db2.gz TVQWPIWYBUOXKO-UHFFFAOYSA-N 0 0 240.262 2.470 10 30 BEEERN CN(Cc1ccco1)Cc1cccnc1C#N ZINC000061664304 172891576 /nfs/dbraw/zinc/89/15/76/172891576.db2.gz ODVRHFSQVOTLDM-UHFFFAOYSA-N 0 0 227.267 2.178 10 30 BEEERN CN[C@@H](C#N)CCOc1cc(C)cc(C)c1C ZINC000062447310 173409688 /nfs/dbraw/zinc/40/96/88/173409688.db2.gz ZDAWXYCWCTXVMB-CYBMUJFWSA-N 0 0 232.327 2.492 10 30 BEEERN CN[C@](C)(C#N)c1ccccc1Br ZINC000040176503 173469281 /nfs/dbraw/zinc/46/92/81/173469281.db2.gz MFJJTEZPMUOMIN-SNVBAGLBSA-N 0 0 239.116 2.407 10 30 BEEERN CN[C@]1(C#N)CCCCc2ccccc21 ZINC000020378779 173470099 /nfs/dbraw/zinc/47/00/99/173470099.db2.gz BAMBVEVYHPKBPP-ZDUSSCGKSA-N 0 0 200.285 2.351 10 30 BEEERN CNc1c(C#N)cnc2ccc(OC)cc21 ZINC000050842816 173470439 /nfs/dbraw/zinc/47/04/39/173470439.db2.gz KIYZQSHQRATYEN-UHFFFAOYSA-N 0 0 213.240 2.157 10 30 BEEERN COC1=C(Cl)[C@H](c2ccccc2)C1=O ZINC000039118456 174013164 /nfs/dbraw/zinc/01/31/64/174013164.db2.gz BMDBNOZLVQMALG-QMMMGPOBSA-N 0 0 208.644 2.450 10 30 BEEERN COCCC(=O)[C@@H](C#N)c1ccccc1F ZINC000049671708 174138638 /nfs/dbraw/zinc/13/86/38/174138638.db2.gz QEQAQCMGMADAES-JTQLQIEISA-N 0 0 221.231 2.038 10 30 BEEERN COCCN(CCC#N)c1ccc(C=O)c(C)c1 ZINC000071226478 174290081 /nfs/dbraw/zinc/29/00/81/174290081.db2.gz RHIZSYLQYLKNGT-UHFFFAOYSA-N 0 0 246.310 2.174 10 30 BEEERN COCCN[C@@H](C#N)c1c(F)cccc1Cl ZINC000020175246 174336604 /nfs/dbraw/zinc/33/66/04/174336604.db2.gz VWNOEHCHWSHVMO-JTQLQIEISA-N 0 0 242.681 2.280 10 30 BEEERN COCCN[C@H](C#N)c1c(F)cccc1Cl ZINC000020175248 174338706 /nfs/dbraw/zinc/33/87/06/174338706.db2.gz VWNOEHCHWSHVMO-SNVBAGLBSA-N 0 0 242.681 2.280 10 30 BEEERN COCCN[C@H](C#N)c1cccc(OC(C)C)c1 ZINC000020176796 174339301 /nfs/dbraw/zinc/33/93/01/174339301.db2.gz KZJRSZPBNKCRIK-CQSZACIVSA-N 0 0 248.326 2.274 10 30 BEEERN COc1cc(NCC#N)c(OC)cc1Cl ZINC000020043285 175001884 /nfs/dbraw/zinc/00/18/84/175001884.db2.gz QFAARKXYDXOZFP-UHFFFAOYSA-N 0 0 226.663 2.293 10 30 BEEERN COc1cc(OC)cc(C(=O)[C@@H](C)CC#N)c1 ZINC000048259136 175009989 /nfs/dbraw/zinc/00/99/89/175009989.db2.gz IFWGVPFPHXTHML-VIFPVBQESA-N 0 0 233.267 2.436 10 30 BEEERN COc1cc([C@@H](C#N)NC2CCCC2)ccc1O ZINC000037968492 175013246 /nfs/dbraw/zinc/01/32/46/175013246.db2.gz IAMVGIZXYHKEFZ-GFCCVEGCSA-N 0 0 246.310 2.498 10 30 BEEERN COc1cc2c(cc1Cl)CC/C2=N\O ZINC000011549118 175021833 /nfs/dbraw/zinc/02/18/33/175021833.db2.gz IJNQFDMOQHSTTL-FMIVXFBMSA-N 0 0 211.648 2.473 10 30 BEEERN COc1ccc(/C=C/C(C)=O)c(OC)c1OC ZINC000021297541 175047534 /nfs/dbraw/zinc/04/75/34/175047534.db2.gz CDWROTZMPJSYFY-AATRIKPKSA-N 0 0 236.267 2.315 10 30 BEEERN COc1ccc(C#CCO)cc1COC(C)(C)C ZINC000049621477 175051146 /nfs/dbraw/zinc/05/11/46/175051146.db2.gz CTIDXHNRIYULHX-UHFFFAOYSA-N 0 0 248.322 2.354 10 30 BEEERN COc1ccc(CCN[C@@H](C#N)C(C)C)cc1 ZINC000057520987 175092057 /nfs/dbraw/zinc/09/20/57/175092057.db2.gz STAFDWIFAMYCPX-AWEZNQCLSA-N 0 0 232.327 2.375 10 30 BEEERN COc1ccc(COC(C)(C)C)cc1C#CCO ZINC000049621479 175113542 /nfs/dbraw/zinc/11/35/42/175113542.db2.gz CYCDZDAQGNJRCP-UHFFFAOYSA-N 0 0 248.322 2.354 10 30 BEEERN COc1ccc(N[C@@H](C#N)[C@H]2CCOC2)cc1 ZINC000037936510 175153033 /nfs/dbraw/zinc/15/30/33/175153033.db2.gz IGLRQQPXTNRIQM-GWCFXTLKSA-N 0 0 232.283 2.036 10 30 BEEERN COc1ccc(N[C@@H](C#N)[C@@H]2CCOC2)cc1 ZINC000037936508 175153232 /nfs/dbraw/zinc/15/32/32/175153232.db2.gz IGLRQQPXTNRIQM-MFKMUULPSA-N 0 0 232.283 2.036 10 30 BEEERN COc1ccc(OC)c(N[C@@H](C)C#N)c1 ZINC000047826306 175166958 /nfs/dbraw/zinc/16/69/58/175166958.db2.gz CWJBKTVANXYMEQ-QMMMGPOBSA-N 0 0 206.245 2.028 10 30 BEEERN COc1ccc(OC)c([C@@H](C#N)NC(C)C)c1 ZINC000020175852 175167079 /nfs/dbraw/zinc/16/70/79/175167079.db2.gz GJMITVHTXKVYJE-GFCCVEGCSA-N 0 0 234.299 2.266 10 30 BEEERN COc1ccc2c(c1)c(CC#N)cn2C(C)=O ZINC000062722125 175218215 /nfs/dbraw/zinc/21/82/15/175218215.db2.gz QFXLJZNXZQCJDV-UHFFFAOYSA-N 0 0 228.251 2.376 10 30 BEEERN COc1cccc(C(=O)C[C@@H](C)C#N)c1 ZINC000033426696 175242793 /nfs/dbraw/zinc/24/27/93/175242793.db2.gz PRVSKYZJIJCLSV-SECBINFHSA-N 0 0 203.241 2.428 10 30 BEEERN COc1cccc(CCCn2ccnc2C#N)c1 ZINC000124032068 175251582 /nfs/dbraw/zinc/25/15/82/175251582.db2.gz WEYXBKKPUSQYLN-UHFFFAOYSA-N 0 0 241.294 2.396 10 30 BEEERN COc1cccc(O[C@@H](C)C(=O)/C=C\N(C)C)c1 ZINC000033373119 175284358 /nfs/dbraw/zinc/28/43/58/175284358.db2.gz DULANNSDWJJJLF-IQQGHNRFSA-N 0 0 249.310 2.107 10 30 BEEERN COc1cccc([C@@H](C#N)N2CCCC2)c1 ZINC000019934315 175285757 /nfs/dbraw/zinc/28/57/57/175285757.db2.gz PLGQVDIRDKWFKZ-CYBMUJFWSA-N 0 0 216.284 2.356 10 30 BEEERN COc1cccc([C@H](C#N)NCC(F)(F)F)c1 ZINC000037971049 175291899 /nfs/dbraw/zinc/29/18/99/175291899.db2.gz SNTCIXLKHZIFCQ-JTQLQIEISA-N 0 0 244.216 2.412 10 30 BEEERN COc1ccccc1CN=Nc1nc(C)cs1 ZINC000033377205 175315356 /nfs/dbraw/zinc/31/53/56/175315356.db2.gz WNQKRWGKFMAGDJ-QPEQYQDCSA-N 0 0 247.323 2.328 10 30 BEEERN COc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061889239 175318948 /nfs/dbraw/zinc/31/89/48/175318948.db2.gz OJRWQEAAIRHHER-ZYHUDNBSSA-N 0 0 244.294 2.117 10 30 BEEERN COc1ccccc1C[C@@](C)(C#N)NC1CC1 ZINC000037734978 175332892 /nfs/dbraw/zinc/33/28/92/175332892.db2.gz PIMLKMDEEWKZSE-AWEZNQCLSA-N 0 0 230.311 2.272 10 30 BEEERN COc1ccccc1C[C@@H]1CCCN1CC#N ZINC000058525620 175332944 /nfs/dbraw/zinc/33/29/44/175332944.db2.gz KWUHASJPNKMQRH-ZDUSSCGKSA-N 0 0 230.311 2.226 10 30 BEEERN COc1ccccc1N(C)C[C@H](C)C#N ZINC000049812929 175335613 /nfs/dbraw/zinc/33/56/13/175335613.db2.gz CQPDLRGRACWXOB-SNVBAGLBSA-N 0 0 204.273 2.291 10 30 BEEERN COc1ccccc1[C@@H](C#N)NC1CC1 ZINC000019989646 175343478 /nfs/dbraw/zinc/34/34/78/175343478.db2.gz UYHFNLHIHVRXHL-LLVKDONJSA-N 0 0 202.257 2.012 10 30 BEEERN COc1ccccc1[C@H](C#N)NC[C@@H]1CCCO1 ZINC000037940019 175350534 /nfs/dbraw/zinc/35/05/34/175350534.db2.gz HSPYKZIHFRWFHI-AAEUAGOBSA-N 0 0 246.310 2.028 10 30 BEEERN COc1ccccc1[C@H](C#N)N1CCCC1 ZINC000019934285 175351046 /nfs/dbraw/zinc/35/10/46/175351046.db2.gz GVVFSPNKFPHJIR-LBPRGKRZSA-N 0 0 216.284 2.356 10 30 BEEERN C[C@@H](Nc1ccc(C#N)cc1N)[C@@H]1CCCO1 ZINC000035734529 175929899 /nfs/dbraw/zinc/92/98/99/175929899.db2.gz YIUOMUVCQVPWFC-RNCFNFMXSA-N 0 0 231.299 2.120 10 30 BEEERN C[C@@H]1CCCC[C@H]1OCCC/C(N)=N/O ZINC000019511824 176089335 /nfs/dbraw/zinc/08/93/35/176089335.db2.gz KVTNNEXUWPMIIX-NXEZZACHSA-N 0 0 214.309 2.108 10 30 BEEERN C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000297730608 176191132 /nfs/dbraw/zinc/19/11/32/176191132.db2.gz KIDAYELHSOEWAD-PELKAZGASA-N 0 0 248.257 2.061 10 30 BEEERN C[C@@H]1C[C@@H](OCC/C(N)=N/O)CC(C)(C)C1 ZINC000026513256 176382634 /nfs/dbraw/zinc/38/26/34/176382634.db2.gz BBGPMNWNKWTDGS-NXEZZACHSA-N 0 0 228.336 2.354 10 30 BEEERN C[C@@H]1C[C@@H]1CN(C)C(=O)c1ccc(C#N)cc1 ZINC000104413829 176391576 /nfs/dbraw/zinc/39/15/76/176391576.db2.gz NOHQUMBSWSDQRT-ZWNOBZJWSA-N 0 0 228.295 2.286 10 30 BEEERN C[C@@H]1C[C@@H]1CN(C)c1cc(C#N)ccn1 ZINC000104420807 176392244 /nfs/dbraw/zinc/39/22/44/176392244.db2.gz JJIYCDMFEHVYRC-MWLCHTKSSA-N 0 0 201.273 2.045 10 30 BEEERN C[C@@](C#N)(CO)Cc1ccccc1Cl ZINC000057496043 176507928 /nfs/dbraw/zinc/50/79/28/176507928.db2.gz KNBXWXIVVZCXLB-LLVKDONJSA-N 0 0 209.676 2.405 10 30 BEEERN C[C@@H](NC[C@H](C)C#N)c1ccc(O)cc1 ZINC000054179426 176554191 /nfs/dbraw/zinc/55/41/91/176554191.db2.gz NGZVLBAVYGXFKZ-NXEZZACHSA-N 0 0 204.273 2.202 10 30 BEEERN C[C@H](C#N)n1ccnc1-c1cccc(N)c1 ZINC000043515661 176555829 /nfs/dbraw/zinc/55/58/29/176555829.db2.gz LYQZDNCUAJUSSZ-SECBINFHSA-N 0 0 212.256 2.217 10 30 BEEERN C[C@H](Oc1nccnc1C#N)c1ccccc1 ZINC000054379582 177025482 /nfs/dbraw/zinc/02/54/82/177025482.db2.gz JMFSLPMXPQLYOK-JTQLQIEISA-N 0 0 225.251 2.488 10 30 BEEERN C[C@H]1CCCCN1c1ncc(C#N)s1 ZINC000082418615 177078652 /nfs/dbraw/zinc/07/86/52/177078652.db2.gz MMCVHNKPDHTCOU-QMMMGPOBSA-N 0 0 207.302 2.394 10 30 BEEERN C[C@H]1CCCC[C@H]1Oc1cc(/C(N)=N/O)ccn1 ZINC000019425959 177090573 /nfs/dbraw/zinc/09/05/73/177090573.db2.gz JBCIVTIGXDOQHE-GXSJLCMTSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@H]1CCCN(Cc2cccnc2C#N)C1 ZINC000061664203 177102045 /nfs/dbraw/zinc/10/20/45/177102045.db2.gz ZPCHIDHEJXZPSJ-NSHDSACASA-N 0 0 215.300 2.185 10 30 BEEERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000177907578 177348304 /nfs/dbraw/zinc/34/83/04/177348304.db2.gz UQNCGIIROHNTGP-CPCISQLKSA-N 0 0 233.246 2.227 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000149799391 177403447 /nfs/dbraw/zinc/40/34/47/177403447.db2.gz TZMSBAKTCOBXAJ-KCJUWKMLSA-N 0 0 247.254 2.056 10 30 BEEERN CCc1nn(C(CC)CC)c(N)c1C#N ZINC000087503529 259085421 /nfs/dbraw/zinc/08/54/21/259085421.db2.gz MIRITEWTKCJBHD-UHFFFAOYSA-N 0 0 206.293 2.260 10 30 BEEERN N#Cc1ccsc1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000335806685 487837481 /nfs/dbraw/zinc/83/74/81/487837481.db2.gz NBEVWLBSMOXGHI-VHSXEESVSA-N 0 0 232.308 2.244 10 30 BEEERN CC1(C(=O)N[C@H](C#N)C2CC2)CCCCC1 ZINC000133451537 323018967 /nfs/dbraw/zinc/01/89/67/323018967.db2.gz ZBZCVPHEBXWOQP-LLVKDONJSA-N 0 0 220.316 2.375 10 30 BEEERN CC1CC(C#N)(C(=O)NCCc2ccsc2)C1 ZINC000122347682 324039343 /nfs/dbraw/zinc/03/93/43/324039343.db2.gz SBYJXMOSBWQTFV-UHFFFAOYSA-N 0 0 248.351 2.347 10 30 BEEERN C=C[C@@H](C)NC(=O)[C@H](C)COc1ccccc1 ZINC000127306607 324759796 /nfs/dbraw/zinc/75/97/96/324759796.db2.gz ACEBEFNJHFXHLJ-VXGBXAGGSA-N 0 0 233.311 2.392 10 30 BEEERN Cc1cc(OCc2ccccc2C#N)nn1C ZINC000128414696 324835334 /nfs/dbraw/zinc/83/53/34/324835334.db2.gz XGKSISDPQGDQSV-UHFFFAOYSA-N 0 0 227.267 2.179 10 30 BEEERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2C#N)O1 ZINC000130691999 325080801 /nfs/dbraw/zinc/08/08/01/325080801.db2.gz HPORREOYHFBZGS-JOYOIKCWSA-N 0 0 230.267 2.064 10 30 BEEERN N#Cc1ccc(C(=O)NCCC2=CCCC2)nc1 ZINC000131095662 325113049 /nfs/dbraw/zinc/11/30/49/325113049.db2.gz BIEFBGZTSHVOAV-UHFFFAOYSA-N 0 0 241.294 2.183 10 30 BEEERN CC[C@H]1CC[C@H](C)N1c1cnc(C#N)cn1 ZINC000136153176 325443465 /nfs/dbraw/zinc/44/34/65/325443465.db2.gz YIOXZSPYJSMAOP-ONGXEEELSA-N 0 0 216.288 2.116 10 30 BEEERN C[C@@H]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000245737773 325526194 /nfs/dbraw/zinc/52/61/94/325526194.db2.gz LEDDRCQPNAHOKU-NRUUGDAUSA-N 0 0 245.326 2.441 10 30 BEEERN C[C@@H]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000247069914 325585709 /nfs/dbraw/zinc/58/57/09/325585709.db2.gz UWAOVAFCVAVYGR-SCVCMEIPSA-N 0 0 245.326 2.441 10 30 BEEERN C=C[C@](C)(CC)C(=O)N[C@H]1CCCC[C@H]1O ZINC000248888979 325625785 /nfs/dbraw/zinc/62/57/85/325625785.db2.gz FKSWJDMHILCCIF-DMDPSCGWSA-N 0 0 225.332 2.008 10 30 BEEERN CC(C)[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000251377689 325676662 /nfs/dbraw/zinc/67/66/62/325676662.db2.gz YNQGZYVYXRHZGZ-GARJFASQSA-N 0 0 208.305 2.087 10 30 BEEERN C[C@@H]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000269700296 326209956 /nfs/dbraw/zinc/20/99/56/326209956.db2.gz MFHJDSKSNPJRJW-SCVCMEIPSA-N 0 0 245.326 2.441 10 30 BEEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000061889168 488066403 /nfs/dbraw/zinc/06/64/03/488066403.db2.gz WYPRIQMBWUNPQW-PWSUYJOCSA-N 0 0 232.283 2.319 10 30 BEEERN CCOC(=O)CCO/N=C(\C)c1ccccc1 ZINC000222284176 490247229 /nfs/dbraw/zinc/24/72/29/490247229.db2.gz FLXJZNQMVLXETO-SDNWHVSQSA-N 0 0 235.283 2.380 10 30 BEEERN C=CCCCN(C)C(=O)NC1CC=CC1 ZINC000127063111 490535406 /nfs/dbraw/zinc/53/54/06/490535406.db2.gz HCMVIONQHSYUEL-UHFFFAOYSA-N 0 0 208.305 2.313 10 30 BEEERN C=C[C@@H](C)N1C(=S)N=NC1[C@@H](C)OC ZINC000757126671 582502234 /nfs/dbraw/zinc/50/22/34/582502234.db2.gz AMQKARQVRMPLPP-RNFRBKRXSA-N 0 0 213.306 2.021 10 30 BEEERN Cc1ccoc1CSCC[C@H](N)C#N ZINC000757166926 582547574 /nfs/dbraw/zinc/54/75/74/582547574.db2.gz SYPQQVGONILZJL-VIFPVBQESA-N 0 0 210.302 2.062 10 30 BEEERN C#CC[NH2+]C[C@@H](C)SCc1occc1C ZINC000757167445 582548930 /nfs/dbraw/zinc/54/89/30/582548930.db2.gz WONZKWVVXDNPON-LLVKDONJSA-N 0 0 223.341 2.433 10 30 BEEERN C[C@H](CC(F)(F)F)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000402540998 533738199 /nfs/dbraw/zinc/73/81/99/533738199.db2.gz BSUFROXKBQPLDQ-HLTSFMKQSA-N 0 0 248.248 2.383 10 30 BEEERN CC[C@@H](C#N)n1ncc2ccc(N)cc21 ZINC000043541953 582798525 /nfs/dbraw/zinc/79/85/25/582798525.db2.gz NSFPMYXMDUGCTP-JTQLQIEISA-N 0 0 200.245 2.093 10 30 BEEERN C=C[C@@H](C)NC(=O)Cc1cccc(CC)c1 ZINC000122018429 534482739 /nfs/dbraw/zinc/48/27/39/534482739.db2.gz LVAUIJJSUBIUKS-LLVKDONJSA-N 0 0 217.312 2.482 10 30 BEEERN CCCCCn1nc(C)c(C=NO)c1C ZINC000252672789 520335540 /nfs/dbraw/zinc/33/55/40/520335540.db2.gz QNQUEKCOUCXCDS-UHFFFAOYSA-N 0 0 209.293 2.498 10 30 BEEERN C=CC(C)(C)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000336239044 534495904 /nfs/dbraw/zinc/49/59/04/534495904.db2.gz PDRJHDADKGWSCJ-VXGBXAGGSA-N 0 0 237.343 2.369 10 30 BEEERN C=CCCC(=O)N[C@@H]1COc2ccccc21 ZINC000171443959 534622701 /nfs/dbraw/zinc/62/27/01/534622701.db2.gz JYTWHJSTDQQHBK-LLVKDONJSA-N 0 0 217.268 2.203 10 30 BEEERN C=C[C@H](C)NC(=O)Cc1cccc(CC)c1 ZINC000122018245 534637220 /nfs/dbraw/zinc/63/72/20/534637220.db2.gz LVAUIJJSUBIUKS-NSHDSACASA-N 0 0 217.312 2.482 10 30 BEEERN C=CCCCN(C)Cc1nnc(C)n1C1CC1 ZINC000121037038 534710208 /nfs/dbraw/zinc/71/02/08/534710208.db2.gz GGXNNPHSDUWVDA-UHFFFAOYSA-N 0 0 234.347 2.319 10 30 BEEERN C=CCCCN(C)[C@H](C)c1nnc(C)o1 ZINC000121036615 534713309 /nfs/dbraw/zinc/71/33/09/534713309.db2.gz AUIUMILIONZZQT-SECBINFHSA-N 0 0 209.293 2.337 10 30 BEEERN C=CCCc1nc(-c2ccc(OC)nc2)no1 ZINC000109587611 534808197 /nfs/dbraw/zinc/80/81/97/534808197.db2.gz PRFHKTIGQDQXJG-UHFFFAOYSA-N 0 0 231.255 2.259 10 30 BEEERN CC(C)(C)c1ccc(/C=N\n2cnnc2)cc1 ZINC000033296540 526761260 /nfs/dbraw/zinc/76/12/60/526761260.db2.gz KQHYPLWEHYCWSZ-PXNMLYILSA-N 0 0 228.299 2.458 10 30 BEEERN NC(/C=C(\Cl)c1ccc(F)cc1F)=N\O ZINC000253388104 526845809 /nfs/dbraw/zinc/84/58/09/526845809.db2.gz IYGMKLLOWIPXFN-DAXSKMNVSA-N 0 0 232.617 2.291 10 30 BEEERN O=C[C@@H]1OCCc2c(Br)cccc21 ZINC000113514516 527142756 /nfs/dbraw/zinc/14/27/56/527142756.db2.gz GVTAOJQXJIVRJN-JTQLQIEISA-N 0 0 241.084 2.262 10 30 BEEERN C#C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C)C(C)C ZINC000300847009 527402340 /nfs/dbraw/zinc/40/23/40/527402340.db2.gz DVZMOZJTSROCNP-TUAOUCFPSA-N 0 0 207.317 2.197 10 30 BEEERN CC1(C)C[C@H]1c1noc(CCCC#N)n1 ZINC000232833015 534934545 /nfs/dbraw/zinc/93/45/45/534934545.db2.gz MSQCUSZCPSGDEJ-QMMMGPOBSA-N 0 0 205.261 2.429 10 30 BEEERN CC(C)(C)n1cc(CN[C@H]2CCC[C@H]2C#N)cn1 ZINC000061892481 534955286 /nfs/dbraw/zinc/95/52/86/534955286.db2.gz PGXJLUZJNQBJDA-STQMWFEESA-N 0 0 246.358 2.420 10 30 BEEERN CCOC(=O)[C@H](C#N)c1cccc(F)c1F ZINC000021989440 535601682 /nfs/dbraw/zinc/60/16/82/535601682.db2.gz QIQFLMIKHCTQET-MRVPVSSYSA-N 0 0 225.194 2.135 10 30 BEEERN SCc1noc2c1CCc1ncccc1-2 ZINC000725252838 538035296 /nfs/dbraw/zinc/03/52/96/538035296.db2.gz RDLCMQVSLXVKPB-UHFFFAOYSA-N 0 0 218.281 2.265 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCC2(CCC2)C1 ZINC000332903358 566377618 /nfs/dbraw/zinc/37/76/18/566377618.db2.gz QMVVEQVDQDZTHH-NEPJUHHUSA-N 0 0 247.342 2.264 10 30 BEEERN Cc1cc2ncc(C#N)n2cc1Br ZINC000675073943 566454274 /nfs/dbraw/zinc/45/42/74/566454274.db2.gz VVZCDINVSGNRLR-UHFFFAOYSA-N 0 0 236.072 2.277 10 30 BEEERN COc1cc(OC)c([C@H]2O[C@@H]2C)cc1OC ZINC000014822198 560226841 /nfs/dbraw/zinc/22/68/41/560226841.db2.gz NPWQZYRDLOGPMX-KRTXAFLBSA-N 0 0 224.256 2.172 10 30 biogenic,in-vitro BEEERN C=C1C(=O)O[C@H]2C[C@]3(C)C[C@H](O)C[C@@H](C)C3=C[C@@H]12 ZINC000014452127 571708064 /nfs/dbraw/zinc/70/80/64/571708064.db2.gz FZSKLHDEGWSLTB-QVJQUZPHSA-N 0 0 248.322 2.211 10 30 endogenous,in-man BEEERN COC(=O)[C@]1(Cl)O[C@]1(C)c1ccc(F)cc1 ZINC000234598082 582460848 /nfs/dbraw/zinc/46/08/48/582460848.db2.gz YPKVMILOBVLVGI-MNOVXSKESA-N 0 0 244.649 2.179 10 30 BEEERN C=C[C@H](C)N1C(=S)N=NC1[C@@H](C)OC ZINC000757126669 582501858 /nfs/dbraw/zinc/50/18/58/582501858.db2.gz AMQKARQVRMPLPP-NKWVEPMBSA-N 0 0 213.306 2.021 10 30 BEEERN O=C1Nc2ccc(Br)cc2[C@H]1S ZINC000757163463 582544803 /nfs/dbraw/zinc/54/48/03/582544803.db2.gz PZDXJDGKXPOMPF-SSDOTTSWSA-N 0 0 244.113 2.372 10 30 BEEERN CN[C@](C)(C#N)CSCc1occc1C ZINC000757162752 582545312 /nfs/dbraw/zinc/54/53/12/582545312.db2.gz ATZSAJLJTPFQIQ-LLVKDONJSA-N 0 0 224.329 2.323 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](S)C1 ZINC000757166383 582547393 /nfs/dbraw/zinc/54/73/93/582547393.db2.gz UCGLJWKNMUFGAH-SFYZADRCSA-N 0 0 217.334 2.362 10 30 BEEERN C#CC[C@H](OC(=O)C1CC1)c1ccccn1 ZINC000113662821 588848090 /nfs/dbraw/zinc/84/80/90/588848090.db2.gz QNIJTVOGCMTEOB-LBPRGKRZSA-N 0 0 215.252 2.099 10 30 BEEERN COc1ccc([C@@]2(C=O)C[C@@H](F)C2)cc1 ZINC000725259112 582797892 /nfs/dbraw/zinc/79/78/92/582797892.db2.gz ZHTCRFWWXUSTOJ-KLPPZKSPSA-N 0 0 208.232 2.264 10 30 BEEERN Cc1nn(CCCCCC#N)c(C)c1N ZINC000385388190 582804966 /nfs/dbraw/zinc/80/49/66/582804966.db2.gz RLKSTBODSIGXSS-UHFFFAOYSA-N 0 0 206.293 2.166 10 30 BEEERN COC(=O)[C@H]1O[C@]12CCCCC21CCCC1 ZINC000309225213 582901886 /nfs/dbraw/zinc/90/18/86/582901886.db2.gz HKOADQCJJCNHJO-ZWNOBZJWSA-N 0 0 224.300 2.431 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)C(C1CC1)C1CC1 ZINC000332733193 583300597 /nfs/dbraw/zinc/30/05/97/583300597.db2.gz ONQUNVVZXSTDCL-NEPJUHHUSA-N 0 0 232.327 2.231 10 30 BEEERN CS[C@H](C)C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000103329172 583974086 /nfs/dbraw/zinc/97/40/86/583974086.db2.gz OFGZIMRWFKSKLE-SFYZADRCSA-N 0 0 240.353 2.379 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)Nc1cc(C#N)ccc1F ZINC000888356440 585012939 /nfs/dbraw/zinc/01/29/39/585012939.db2.gz NWQLEDWBODLZFX-XCBNKYQSSA-N 0 0 233.246 2.227 10 30 BEEERN CS[C@H](C)C(=O)[C@@H](C#N)c1ccccn1 ZINC000103329890 585098257 /nfs/dbraw/zinc/09/82/57/585098257.db2.gz BXTVIKAJLFVVOL-BDAKNGLRSA-N 0 0 220.297 2.009 10 30 BEEERN CCN[C@H](C#N)CSCc1occc1C ZINC000757166712 586432700 /nfs/dbraw/zinc/43/27/00/586432700.db2.gz RNKVVRULUBRLJW-SNVBAGLBSA-N 0 0 224.329 2.323 10 30 BEEERN C#C[C@@H](OC(=O)NCCC)c1ccccc1 ZINC000757189495 586435629 /nfs/dbraw/zinc/43/56/29/586435629.db2.gz OGBYXRDZWWQXKN-GFCCVEGCSA-N 0 0 217.268 2.497 10 30 BEEERN C#Cc1cccc(N(CC)C[C@H](C)CO)c1 ZINC000121379241 587468614 /nfs/dbraw/zinc/46/86/14/587468614.db2.gz VPWQBYGOBGHGCH-LBPRGKRZSA-N 0 0 217.312 2.123 10 30 BEEERN C#CCOc1ccccc1OC(=O)CCCOC ZINC000107190678 588337376 /nfs/dbraw/zinc/33/73/76/588337376.db2.gz GUDJKTMDHNTFTQ-UHFFFAOYSA-N 0 0 248.278 2.031 10 30 BEEERN C#CCOc1ccccc1OC(=O)COCCC ZINC000107190856 588337812 /nfs/dbraw/zinc/33/78/12/588337812.db2.gz GMVVJYXVNKSPFJ-UHFFFAOYSA-N 0 0 248.278 2.031 10 30 BEEERN CS[C@@H](C)C(=O)OCc1ccc(C#N)cc1 ZINC000107412412 588362436 /nfs/dbraw/zinc/36/24/36/588362436.db2.gz PKFLPEKYWZAFBH-VIFPVBQESA-N 0 0 235.308 2.353 10 30 BEEERN N#Cc1ccc(C(=O)OC[C@H]2CC=CCC2)nc1 ZINC000107425391 588364484 /nfs/dbraw/zinc/36/44/84/588364484.db2.gz QZJIRJXJEVULML-NSHDSACASA-N 0 0 242.278 2.466 10 30 BEEERN C#CCOc1ccc(NC(=O)N[C@@H]2C[C@H]2C)cc1 ZINC000108523850 588476093 /nfs/dbraw/zinc/47/60/93/588476093.db2.gz KBGJGBSSELWHOH-ZWNOBZJWSA-N 0 0 244.294 2.229 10 30 BEEERN C#CCOC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109153196 588524591 /nfs/dbraw/zinc/52/45/91/588524591.db2.gz FDFGOBNVKWJKLK-ZJUUUORDSA-N 0 0 236.217 2.245 10 30 BEEERN CCCCOCC(=O)[C@H](C#N)c1ccccn1 ZINC000118599181 589179863 /nfs/dbraw/zinc/17/98/63/589179863.db2.gz JRXBHOTUVJMMTF-LLVKDONJSA-N 0 0 232.283 2.075 10 30 BEEERN CCCCC(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000119432898 589283816 /nfs/dbraw/zinc/28/38/16/589283816.db2.gz KCDGTGKQPLBPII-ZDUSSCGKSA-N 0 0 239.359 2.454 10 30 BEEERN C#C[C@H](Cc1ccccc1)OC(=O)[C@@H]1C[C@@H]1C ZINC000120575477 589439478 /nfs/dbraw/zinc/43/94/78/589439478.db2.gz FIFVFCXGVUQDFX-IACUBPJLSA-N 0 0 228.291 2.430 10 30 BEEERN C=C(C)CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000122951000 589645105 /nfs/dbraw/zinc/64/51/05/589645105.db2.gz LYGPBMMIOCYHFX-QWHCGFSZSA-N 0 0 215.296 2.482 10 30 BEEERN C#Cc1cccc(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000126197410 590247346 /nfs/dbraw/zinc/24/73/46/590247346.db2.gz MTCOUFKPWKEOTA-GXFFZTMASA-N 0 0 229.279 2.174 10 30 BEEERN C#C[C@H](C)OC(=O)[C@@H](C)c1ccccc1 ZINC000126210026 590252706 /nfs/dbraw/zinc/25/27/06/590252706.db2.gz WXEKBTQGGDVGSY-QWRGUYRKSA-N 0 0 202.253 2.355 10 30 BEEERN N#Cc1nccn1C/C(Cl)=C/Cl ZINC000211486942 591176145 /nfs/dbraw/zinc/17/61/45/591176145.db2.gz CXRLAJXARCYBOD-UTCJRWHESA-N 0 0 202.044 2.074 10 30 BEEERN C[C@@H](OC(=O)CC1CCOCC1)C(C)(C)C#N ZINC000130415420 591465842 /nfs/dbraw/zinc/46/58/42/591465842.db2.gz LATOYFGQILNPGZ-SNVBAGLBSA-N 0 0 239.315 2.285 10 30 BEEERN C[C@H](OC(=O)c1cccnc1)C(C)(C)C#N ZINC000130510493 591476454 /nfs/dbraw/zinc/47/64/54/591476454.db2.gz TZIODLMHBAUROG-VIFPVBQESA-N 0 0 218.256 2.177 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)O[C@@H](C#N)C1CC1 ZINC000130532634 591480489 /nfs/dbraw/zinc/48/04/89/591480489.db2.gz YCJZMMSWSYSYKZ-ZDUSSCGKSA-N 0 0 240.262 2.326 10 30 BEEERN CC[C@H](C#N)OC(=O)c1ccc(C#N)cc1C ZINC000130628757 591489030 /nfs/dbraw/zinc/48/90/30/591489030.db2.gz RWZKVJIKXKDXJC-LLVKDONJSA-N 0 0 228.251 2.326 10 30 BEEERN N#C[C@H](OC(=O)CCCc1ccccn1)C1CC1 ZINC000130690209 591500342 /nfs/dbraw/zinc/50/03/42/591500342.db2.gz GEZOPLFSWJBZKU-ZDUSSCGKSA-N 0 0 244.294 2.250 10 30 BEEERN Cc1ocnc1C(=O)O[C@H](C)C(C)(C)C#N ZINC000130955144 591537880 /nfs/dbraw/zinc/53/78/80/591537880.db2.gz WMEJCIPIAUHWBN-MRVPVSSYSA-N 0 0 222.244 2.078 10 30 BEEERN CS[C@H](C)C(=O)O[C@H](C)C(C)(C)C#N ZINC000131530832 591617596 /nfs/dbraw/zinc/61/75/96/591617596.db2.gz FZMNWFBBVKOPJZ-HTQZYQBOSA-N 0 0 215.318 2.219 10 30 BEEERN CC[C@H](C)OCC(=O)O[C@@H](C)C(C)(C)C#N ZINC000131606508 591628135 /nfs/dbraw/zinc/62/81/35/591628135.db2.gz QLIFKTPNFPCBAJ-UWVGGRQHSA-N 0 0 227.304 2.283 10 30 BEEERN C=C(Br)CN1[C@H](C)COC[C@@H]1C ZINC000133181482 591776192 /nfs/dbraw/zinc/77/61/92/591776192.db2.gz BZOPYFIBUHVVOF-DTORHVGOSA-N 0 0 234.137 2.004 10 30 BEEERN C#C[C@@H](OC(=O)Cc1cccc(OC)c1)C1CC1 ZINC000133928563 591869847 /nfs/dbraw/zinc/86/98/47/591869847.db2.gz HOEBYFOXDPXMCY-CQSZACIVSA-N 0 0 244.290 2.193 10 30 BEEERN 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C#CCCCCC(=O)N1CCC[C@H](C(C)=O)C1 ZINC000707738379 712176896 /nfs/dbraw/zinc/17/68/96/712176896.db2.gz NPTBNJXNSMFBEP-ZDUSSCGKSA-N 0 0 235.327 2.008 10 30 BEEERN C#CC1CCN(C(=O)[C@@H]2CCC[C@H]2C)CC1 ZINC000709527111 712223461 /nfs/dbraw/zinc/22/34/61/712223461.db2.gz XUSMLZMZSUKNND-DGCLKSJQSA-N 0 0 219.328 2.294 10 30 BEEERN Cc1coc(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000718133466 712747125 /nfs/dbraw/zinc/74/71/25/712747125.db2.gz UPAZWDHNKVKGSH-CMPLNLGQSA-N 0 0 204.273 2.370 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1ccco1 ZINC000700875081 712009122 /nfs/dbraw/zinc/00/91/22/712009122.db2.gz RESDFRSFANRRER-RIVSHMCHSA-N 0 0 230.267 2.101 10 30 BEEERN C#C[C@@H](NC(=O)c1ccc(F)cc1N)C(C)(C)C ZINC000702251116 712041600 /nfs/dbraw/zinc/04/16/00/712041600.db2.gz QLGVCLOAZLVIQD-GFCCVEGCSA-N 0 0 248.301 2.186 10 30 BEEERN CSC1CC(NC(=O)c2ccc(C#N)cc2)C1 ZINC000707298472 712169269 /nfs/dbraw/zinc/16/92/69/712169269.db2.gz PRBSJVNGUKQMJE-UHFFFAOYSA-N 0 0 246.335 2.182 10 30 BEEERN 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C#C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000692336364 976423109 /nfs/dbraw/zinc/42/31/09/976423109.db2.gz ODAGCQSYKSFQDZ-QWRGUYRKSA-N 0 0 247.294 2.384 10 30 BEEERN C#CC1CC[NH+](Cc2ccsc2C(=O)[O-])CC1 ZINC000692359346 976433325 /nfs/dbraw/zinc/43/33/25/976433325.db2.gz PUAWGHZEXHMIBI-UHFFFAOYSA-N 0 0 249.335 2.292 10 30 BEEERN CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C(=O)[O-] ZINC000695730245 976803917 /nfs/dbraw/zinc/80/39/17/976803917.db2.gz REPCNCLASQIRNK-VHSXEESVSA-N 0 0 226.320 2.158 10 30 BEEERN C#C[C@H]([NH2+][C@@H](CCCC)C(=O)[O-])C(C)(C)C ZINC000702275264 977074894 /nfs/dbraw/zinc/07/48/94/977074894.db2.gz JCBBWFKPAXKOPK-QWRGUYRKSA-N 0 0 225.332 2.267 10 30 BEEERN C[C@@]1(C#N)CC[N@@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000703717515 977177161 /nfs/dbraw/zinc/17/71/61/977177161.db2.gz NSNVHPDRIDBMCK-JSGCOSHPSA-N 0 0 244.294 2.048 10 30 BEEERN CCCCCCC[N@@H+]1CC[C@](OC)(C(=O)[O-])C1 ZINC000703741146 977180920 /nfs/dbraw/zinc/18/09/20/977180920.db2.gz GJCUJESEYSBHGL-CYBMUJFWSA-N 0 0 243.347 2.132 10 30 BEEERN C=CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000704853983 977265144 /nfs/dbraw/zinc/26/51/44/977265144.db2.gz PWZOLHZMVQLZNF-AXFHLTTASA-N 0 0 211.305 2.184 10 30 BEEERN C#CC1CC[NH+]([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000709600930 977461685 /nfs/dbraw/zinc/46/16/85/977461685.db2.gz NUNJLVYIIIDYJK-SNVBAGLBSA-N 0 0 247.294 2.384 10 30 BEEERN C=CC[C@H](C)[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000715043983 977689666 /nfs/dbraw/zinc/68/96/66/977689666.db2.gz RJWNNUNELNAWRD-LOWVWBTDSA-N 0 0 223.316 2.280 10 30 BEEERN C=C1CCC(C[NH2+][C@H](CC)C(=O)[O-])CC1 ZINC000724462218 978228556 /nfs/dbraw/zinc/22/85/56/978228556.db2.gz QAWSZRCQXKSPPQ-LLVKDONJSA-N 0 0 211.305 2.186 10 30 BEEERN C=C(C)CN(C)c1ccccc1C(=O)OC ZINC000049855359 1171736877 /nfs/dbraw/zinc/73/68/77/1171736877.db2.gz PABFELKVAYMGKG-UHFFFAOYSA-N 0 0 219.284 2.486 10 30 BEEERN Cc1ccc(C#CC(=O)OC(C)(C)C)cn1 ZINC000685953465 538898109 /nfs/dbraw/zinc/89/81/09/538898109.db2.gz MRRYGSNKPGADNA-UHFFFAOYSA-N 0 0 217.268 2.083 10 30 BEEERN CCO[C@@H](C#CC(=O)OC(C)(C)C)CC ZINC000685953390 538898197 /nfs/dbraw/zinc/89/81/97/538898197.db2.gz MFIZGOYXXQULNE-SNVBAGLBSA-N 0 0 212.289 2.147 10 30 BEEERN CCc1ncc(C#CC(=O)OC(C)(C)C)s1 ZINC000685953667 538898612 /nfs/dbraw/zinc/89/86/12/538898612.db2.gz OGYFOMUDCKBECF-UHFFFAOYSA-N 0 0 237.324 2.399 10 30 BEEERN COCCC(C)(C)C#CC(=O)OC(C)(C)C ZINC000685954297 538899442 /nfs/dbraw/zinc/89/94/42/538899442.db2.gz UYESJRFXRYSSQH-UHFFFAOYSA-N 0 0 226.316 2.394 10 30 BEEERN C=CC(=O)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000685959246 538906965 /nfs/dbraw/zinc/90/69/65/538906965.db2.gz PNIRHYPNLZAPHL-UHFFFAOYSA-N 0 0 239.315 2.389 10 30 BEEERN C=CC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC000685960310 538907824 /nfs/dbraw/zinc/90/78/24/538907824.db2.gz DGQAZVQUSAFVPJ-UHFFFAOYSA-N 0 0 239.315 2.387 10 30 BEEERN C#CC(=O)[C@H]1CC=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000685961843 538908555 /nfs/dbraw/zinc/90/85/55/538908555.db2.gz OTDRQGXKYAPSTR-QWRGUYRKSA-N 0 0 249.310 2.048 10 30 BEEERN CC(C)(C)OC(=O)C#C[C@@H]1CCCSC1 ZINC000685952603 538896494 /nfs/dbraw/zinc/89/64/94/538896494.db2.gz BGONSWMEAYEKRB-JTQLQIEISA-N 0 0 226.341 2.475 10 30 BEEERN C=CCOc1ccccc1CNCCC#N ZINC000034992741 358451868 /nfs/dbraw/zinc/45/18/68/358451868.db2.gz QKFQRCBUTIQOCF-UHFFFAOYSA-N 0 0 216.284 2.255 10 30 BEEERN CCC(CC)(CO)Nc1nc(C)ccc1C#N ZINC000053071081 168330246 /nfs/dbraw/zinc/33/02/46/168330246.db2.gz BEFPGYZSBOGCQT-UHFFFAOYSA-N 0 0 233.315 2.225 10 30 BEEERN N#Cc1ccc(N[C@H](CO)c2ccccc2)cn1 ZINC000149360047 136214652 /nfs/dbraw/zinc/21/46/52/136214652.db2.gz OMSAZWCMZOAORF-CQSZACIVSA-N 0 0 239.278 2.099 10 30 BEEERN N#C[C@H]1CCN(c2nc(Cl)cs2)C1 ZINC000575597696 398155081 /nfs/dbraw/zinc/15/50/81/398155081.db2.gz OAUNINQSYRDSEQ-ZCFIWIBFSA-N 0 0 213.693 2.146 10 30 BEEERN CC(=O)c1ccc(Oc2cnc(C#N)cn2)cc1 ZINC000120342791 398168643 /nfs/dbraw/zinc/16/86/43/398168643.db2.gz CRCQZBDLCCZVHH-UHFFFAOYSA-N 0 0 239.234 2.343 10 30 BEEERN Cc1cc(CN[C@H]2CCCC[C@@H]2C#N)no1 ZINC000054827878 178040135 /nfs/dbraw/zinc/04/01/35/178040135.db2.gz FQUCOXZNEKEIEB-PWSUYJOCSA-N 0 0 219.288 2.155 10 30 BEEERN N#Cc1ccc([C@H]2CCCCN2C(N)=O)cc1 ZINC000616615369 398174863 /nfs/dbraw/zinc/17/48/63/398174863.db2.gz XFBITFTXKZERPU-GFCCVEGCSA-N 0 0 229.283 2.164 10 30 BEEERN CCC(CC)C(=O)NC1(C#N)CCCC1 ZINC000040216327 168337136 /nfs/dbraw/zinc/33/71/36/168337136.db2.gz BAWIFAWWIGGCHK-UHFFFAOYSA-N 0 0 208.305 2.375 10 30 BEEERN Cc1cc(Cl)cc(C)c1OC/C(N)=N/O ZINC000019504332 178063650 /nfs/dbraw/zinc/06/36/50/178063650.db2.gz HLUAVQDVEYYNNQ-UHFFFAOYSA-N 0 0 228.679 2.082 10 30 BEEERN Cc1cc(N(C)c2ccc(C#N)cc2)ncn1 ZINC000061957233 178101921 /nfs/dbraw/zinc/10/19/21/178101921.db2.gz PDNWURABVKSPIY-UHFFFAOYSA-N 0 0 224.267 2.425 10 30 BEEERN Cc1cc(N(CCC#N)C(C)C)nc(C)n1 ZINC000042530903 178102728 /nfs/dbraw/zinc/10/27/28/178102728.db2.gz KJDXMXGOBDGHNI-UHFFFAOYSA-N 0 0 218.304 2.222 10 30 BEEERN Cc1cc(N)ccc1N(C)C[C@@H](C)C#N ZINC000042455134 178105249 /nfs/dbraw/zinc/10/52/49/178105249.db2.gz WNIKZSBBHHEGRL-VIFPVBQESA-N 0 0 203.289 2.173 10 30 BEEERN Cc1ccc([C@H](C)NC(=O)CC#N)cc1F ZINC000094956708 398207250 /nfs/dbraw/zinc/20/72/50/398207250.db2.gz ATCFUFDAKFUBDB-VIFPVBQESA-N 0 0 220.247 2.225 10 30 BEEERN Cc1cc(NC[C@@H]2CC[C@H](O)C2)c(C#N)c(C)n1 ZINC000235903887 178167576 /nfs/dbraw/zinc/16/75/76/178167576.db2.gz HZZISWBFYVVTNL-NEPJUHHUSA-N 0 0 245.326 2.143 10 30 BEEERN Cc1cc(Nc2ccccc2)c(C#N)c(=O)[nH]1 ZINC000090562756 178194083 /nfs/dbraw/zinc/19/40/83/178194083.db2.gz NTBHJZUERYAPRA-UHFFFAOYSA-N 0 0 225.251 2.299 10 30 BEEERN Cc1cc([C@@H](C#N)NC2CC2)cc(C)c1O ZINC000036924769 178219763 /nfs/dbraw/zinc/21/97/63/178219763.db2.gz KVUQFJJMWUYYFY-GFCCVEGCSA-N 0 0 216.284 2.326 10 30 BEEERN COC(=O)C#Cc1csc2ccccc12 ZINC000070835123 361778300 /nfs/dbraw/zinc/77/83/00/361778300.db2.gz CVSZWWSSFGECKC-UHFFFAOYSA-N 0 0 216.261 2.426 10 30 BEEERN Cc1cc([C@H](C#N)NC2CC2)ccc1F ZINC000050558766 178243652 /nfs/dbraw/zinc/24/36/52/178243652.db2.gz YSMBNESOFLKSDA-LBPRGKRZSA-N 0 0 204.248 2.451 10 30 BEEERN Cc1cc([C@H](C#N)N2CCOCC2)ccc1F ZINC000050559530 178244527 /nfs/dbraw/zinc/24/45/27/178244527.db2.gz UEXTXEHDRVPCSP-ZDUSSCGKSA-N 0 0 234.274 2.031 10 30 BEEERN COC(=O)[C@@H]1O[C@@]1(C)CCCC(F)(F)F ZINC000166774618 538939780 /nfs/dbraw/zinc/93/97/80/538939780.db2.gz WKDHYPAOBBESMI-XPUUQOCRSA-N 0 0 226.194 2.050 10 30 BEEERN CCOC(=O)[C@@]1(CC)O[C@@]1(C)CC1CC1 ZINC000229762640 538941188 /nfs/dbraw/zinc/94/11/88/538941188.db2.gz AIAVEMCNZFYCPL-NWDGAFQWSA-N 0 0 212.289 2.287 10 30 BEEERN Cc1ccc(-c2cc(N)n(CCC#N)n2)cc1 ZINC000035277032 178322150 /nfs/dbraw/zinc/32/21/50/178322150.db2.gz KELZROPQXVJCDQ-UHFFFAOYSA-N 0 0 226.283 2.354 10 30 BEEERN Cc1ccc(CN=Nc2nccs2)o1 ZINC000011547738 178358764 /nfs/dbraw/zinc/35/87/64/178358764.db2.gz JZTVWTDPGATYFE-IZZDOVSWSA-N 0 0 207.258 2.491 10 30 BEEERN Cc1ccc(C#N)c(N2CCCO[C@@H](C)C2)c1 ZINC000061932244 178363430 /nfs/dbraw/zinc/36/34/30/178363430.db2.gz PUPMOGNQGKCVOG-LBPRGKRZSA-N 0 0 230.311 2.482 10 30 BEEERN Cc1ccc(C#N)c(NCc2cn[nH]c2)c1 ZINC000051579307 178364641 /nfs/dbraw/zinc/36/46/41/178364641.db2.gz SMLHYVYLZJZZHP-UHFFFAOYSA-N 0 0 212.256 2.202 10 30 BEEERN Cc1ccc(C#N)c(Sc2ncccn2)n1 ZINC000043400784 178366724 /nfs/dbraw/zinc/36/67/24/178366724.db2.gz WBPFLOLEWVRNKD-UHFFFAOYSA-N 0 0 228.280 2.203 10 30 BEEERN Cc1ccc(C(=O)N2CCC(=NO)CC2)cc1C ZINC000019439238 178383864 /nfs/dbraw/zinc/38/38/64/178383864.db2.gz YSEGGBZGBVVAPE-UHFFFAOYSA-N 0 0 246.310 2.370 10 30 BEEERN N#Cc1cccc(C(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000335293062 343999898 /nfs/dbraw/zinc/99/98/98/343999898.db2.gz FWUMAQMLUVPDLZ-CHWSQXEVSA-N 0 0 226.279 2.183 10 30 BEEERN CCOC(=O)C(=O)/C=C/C1CCCCC1 ZINC000214100140 349604427 /nfs/dbraw/zinc/60/44/27/349604427.db2.gz XZBZHTRGTBMMLT-CMDGGOBGSA-N 0 0 210.273 2.255 10 30 BEEERN C#CC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 ZINC000405629511 538960367 /nfs/dbraw/zinc/96/03/67/538960367.db2.gz AERBOAUJSVCTRB-UHFFFAOYSA-N 0 0 237.299 2.026 10 30 BEEERN C=CC(=O)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000406043762 538962729 /nfs/dbraw/zinc/96/27/29/538962729.db2.gz QPBOXIYDRVMJLB-UHFFFAOYSA-N 0 0 239.315 2.437 10 30 BEEERN C=C(C)CC(=O)CNC(=O)OCc1ccccc1 ZINC000406035243 538962891 /nfs/dbraw/zinc/96/28/91/538962891.db2.gz YGBRGAKIRPLJRJ-UHFFFAOYSA-N 0 0 247.294 2.448 10 30 BEEERN C=C(C)C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406088363 538963177 /nfs/dbraw/zinc/96/31/77/538963177.db2.gz DTWYUILOEWHBKW-NSHDSACASA-N 0 0 247.294 2.447 10 30 BEEERN C#CCC(=O)[C@@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000406021863 538962340 /nfs/dbraw/zinc/96/23/40/538962340.db2.gz FEBIIJDFFJYIBR-GHMZBOCLSA-N 0 0 249.310 2.048 10 30 BEEERN C/C(=N\OC[C@H](C)O)[C@@H]1Cc2ccccc21 ZINC000005735170 342769152 /nfs/dbraw/zinc/76/91/52/342769152.db2.gz VKFNGVQUSMHREJ-RDXAAIIQSA-N 0 0 219.284 2.100 10 30 BEEERN C[C@@H]1CC[C@](C#N)(NCc2ccccc2)CO1 ZINC000401463875 342821321 /nfs/dbraw/zinc/82/13/21/342821321.db2.gz KTXZMRWKCNUNJV-TZMCWYRMSA-N 0 0 230.311 2.237 10 30 BEEERN Brc1cccc(C[C@@H]2CO2)c1 ZINC000196283209 539011474 /nfs/dbraw/zinc/01/14/74/539011474.db2.gz RTDGHXBKWPLEKB-SECBINFHSA-N 0 0 213.074 2.390 10 30 BEEERN C/C=C/C(=O)c1ccccc1OC(C)=O ZINC000308817331 342873464 /nfs/dbraw/zinc/87/34/64/342873464.db2.gz WCDKDNPKTGPTER-ZZXKWVIFSA-N 0 0 204.225 2.371 10 30 BEEERN CCC[C@H](C#N)NC(=O)[C@H]1CCC[C@H]1C ZINC000300240098 398344601 /nfs/dbraw/zinc/34/46/01/398344601.db2.gz IADIBBZPDOEUDA-MXWKQRLJSA-N 0 0 208.305 2.231 10 30 BEEERN C=C=CC(=O)c1ccc(Br)o1 ZINC000167698940 346892529 /nfs/dbraw/zinc/89/25/29/346892529.db2.gz HGNNAIBDRXVJJU-UHFFFAOYSA-N 0 0 213.030 2.248 10 30 BEEERN COc1ccc2c(c1)[C@](O)(CC#N)CCC2 ZINC000036420923 342995056 /nfs/dbraw/zinc/99/50/56/342995056.db2.gz WEYNDQBNPRNRPE-CYBMUJFWSA-N 0 0 217.268 2.133 10 30 BEEERN CCC(F)(F)CN[C@@H]1CCC[C@H]1C#N ZINC000602829257 349766631 /nfs/dbraw/zinc/76/66/31/349766631.db2.gz HQOCYOMMBCFFFS-DTWKUNHWSA-N 0 0 202.248 2.314 10 30 BEEERN C/C=C\C(=O)c1ccc(OC(C)=O)cc1 ZINC000308807189 346922320 /nfs/dbraw/zinc/92/23/20/346922320.db2.gz OYZKLJCJZLNFDM-ARJAWSKDSA-N 0 0 204.225 2.371 10 30 BEEERN N#Cc1ccnc(Oc2cccc(CO)c2)c1 ZINC000043475605 343087193 /nfs/dbraw/zinc/08/71/93/343087193.db2.gz PTWBDNNLAKZMKA-UHFFFAOYSA-N 0 0 226.235 2.238 10 30 BEEERN Cc1ccc(C)c(SC[C@@H](N)C#N)c1 ZINC000045365441 178493048 /nfs/dbraw/zinc/49/30/48/178493048.db2.gz XGCJWEFHVLZPIA-JTQLQIEISA-N 0 0 206.314 2.246 10 30 BEEERN COC(=O)c1ccc(N)c(C#C[Si](C)(C)C)c1 ZINC000202194983 343117645 /nfs/dbraw/zinc/11/76/45/343117645.db2.gz PHINAHUHXQPHHA-UHFFFAOYSA-N 0 0 247.370 2.284 10 30 BEEERN C[C@H](C#N)Oc1ccc(CO)cc1Cl ZINC000043517498 343117774 /nfs/dbraw/zinc/11/77/74/343117774.db2.gz QZJMZABUABKUNZ-SSDOTTSWSA-N 0 0 211.648 2.123 10 30 BEEERN C[C@H](C#N)NCc1ccccc1Br ZINC000043515355 343115003 /nfs/dbraw/zinc/11/50/03/343115003.db2.gz BEJANSHXVSXJKP-MRVPVSSYSA-N 0 0 239.116 2.451 10 30 BEEERN C[C@@H](C#N)NCc1ccccc1Br ZINC000043515354 343115293 /nfs/dbraw/zinc/11/52/93/343115293.db2.gz BEJANSHXVSXJKP-QMMMGPOBSA-N 0 0 239.116 2.451 10 30 BEEERN CC[C@](C)(C#N)C(=O)N[C@H](C)C(C)(C)C ZINC000122772567 343160774 /nfs/dbraw/zinc/16/07/74/343160774.db2.gz NDMSWCBZAMEZIV-BXKDBHETSA-N 0 0 210.321 2.477 10 30 BEEERN CCCCS[C@H](C)C(=O)N[C@H](C#N)C1CC1 ZINC000108834423 136275246 /nfs/dbraw/zinc/27/52/46/136275246.db2.gz UNGLKOAVGLBXJW-MWLCHTKSSA-N 0 0 240.372 2.327 10 30 BEEERN Cc1nc(N2CCC[C@H]2CCCO)ccc1C#N ZINC000311217353 136275693 /nfs/dbraw/zinc/27/56/93/136275693.db2.gz SJPGEHJGLOISQD-ZDUSSCGKSA-N 0 0 245.326 2.003 10 30 BEEERN N#Cc1ncc(-c2ccc(F)cc2F)o1 ZINC000260811799 343237436 /nfs/dbraw/zinc/23/74/36/343237436.db2.gz RPTSFIIECYBKTM-UHFFFAOYSA-N 0 0 206.151 2.491 10 30 BEEERN CCCC(=NC1Cc2ccccc2C1)NC#N ZINC000034279183 343267499 /nfs/dbraw/zinc/26/74/99/343267499.db2.gz PJAVPTYJEAEZEZ-UHFFFAOYSA-N 0 0 227.311 2.423 10 30 BEEERN CC1(C)C[C@@H]1c1noc(CCCC#N)n1 ZINC000232867276 136292614 /nfs/dbraw/zinc/29/26/14/136292614.db2.gz MSQCUSZCPSGDEJ-MRVPVSSYSA-N 0 0 205.261 2.429 10 30 BEEERN N#Cc1ccc(-c2ccncc2)cc1C#N ZINC000217515389 343279199 /nfs/dbraw/zinc/27/91/99/343279199.db2.gz PUTHQXSKZPUSSV-UHFFFAOYSA-N 0 0 205.220 2.492 10 30 BEEERN N#CCC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000185880164 343305545 /nfs/dbraw/zinc/30/55/45/343305545.db2.gz APZZICNVRYFTRM-GFCCVEGCSA-N 0 0 232.258 2.233 10 30 BEEERN CC(C)[C@@H]1CCN(c2ccc(C#N)nc2)C1 ZINC000134988948 343351409 /nfs/dbraw/zinc/35/14/09/343351409.db2.gz XKPUBAPTTIAORZ-LLVKDONJSA-N 0 0 215.300 2.436 10 30 BEEERN C#C[C@@H](N)c1ncccc1NC(=O)OC(C)(C)C ZINC000406805760 343423907 /nfs/dbraw/zinc/42/39/07/343423907.db2.gz AFTVCZCBMVMAHM-SECBINFHSA-N 0 0 247.298 2.062 10 30 BEEERN N#Cc1c(F)cc([C@H](O)C(F)(F)F)cc1F ZINC000149553928 343432857 /nfs/dbraw/zinc/43/28/57/343432857.db2.gz WBFBLXZKJFJCRB-QMMMGPOBSA-N 0 0 237.127 2.432 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc2c1OCO2 ZINC000054826168 136373001 /nfs/dbraw/zinc/37/30/01/136373001.db2.gz WQOCETQJOSQKKM-JQWIXIFHSA-N 0 0 244.294 2.197 10 30 BEEERN COc1ccccc1NC(=O)C(C)(C)C#N ZINC000044318044 343497891 /nfs/dbraw/zinc/49/78/91/343497891.db2.gz XOSDOUBUXIVNJD-UHFFFAOYSA-N 0 0 218.256 2.183 10 30 BEEERN CC(C)(C)OC(=O)N[C@H](C#N)CC1CC1 ZINC000150078573 343466397 /nfs/dbraw/zinc/46/63/97/343466397.db2.gz INHSWWMSXDEUSN-VIFPVBQESA-N 0 0 210.277 2.203 10 30 BEEERN N#CCc1c(N)cc(Br)cc1F ZINC000044699958 343512175 /nfs/dbraw/zinc/51/21/75/343512175.db2.gz ZBROJEWHLGVDBZ-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN C[C@H](C#N)CN(C)c1ncnc2ccccc21 ZINC000045802349 343534442 /nfs/dbraw/zinc/53/44/42/343534442.db2.gz DTQKWASNMDACTJ-SNVBAGLBSA-N 0 0 226.283 2.226 10 30 BEEERN CC1(C)O[C@@H]1COC(=O)c1ccccc1 ZINC000166823803 343576892 /nfs/dbraw/zinc/57/68/92/343576892.db2.gz CHTXCDWRCRYJPN-SNVBAGLBSA-N 0 0 206.241 2.021 10 30 BEEERN CC1(C)C[C@@H]1c1noc(CSCC#N)n1 ZINC000230996235 343595583 /nfs/dbraw/zinc/59/55/83/343595583.db2.gz WKJOZFHXWAJDOB-SSDOTTSWSA-N 0 0 223.301 2.340 10 30 BEEERN O=C(/C=C/CO)c1ccc(C(F)(F)F)cc1 ZINC000205769571 343651162 /nfs/dbraw/zinc/65/11/62/343651162.db2.gz CIYNKIYTZXSLLB-OWOJBTEDSA-N 0 0 230.185 2.437 10 30 BEEERN CC#C[C@@H](C)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000208710197 343826198 /nfs/dbraw/zinc/82/61/98/343826198.db2.gz ODKPTMHWTHVIHJ-BXKDBHETSA-N 0 0 219.240 2.288 10 30 BEEERN O=CCCSc1cccc([N+](=O)[O-])c1 ZINC000199661766 537818582 /nfs/dbraw/zinc/81/85/82/537818582.db2.gz WVCKBKYXSZSJLV-UHFFFAOYSA-N 0 0 211.242 2.276 10 30 BEEERN O=Cc1ccc(C#Cc2ccccc2)nc1 ZINC000390093053 343810456 /nfs/dbraw/zinc/81/04/56/343810456.db2.gz KLQONMOYCMTNKB-UHFFFAOYSA-N 0 0 207.232 2.294 10 30 BEEERN CCn1cc(CC#N)c(-c2cccnc2)n1 ZINC000409436947 343841866 /nfs/dbraw/zinc/84/18/66/343841866.db2.gz CRGNZYKTCZKLQB-UHFFFAOYSA-N 0 0 212.256 2.031 10 30 BEEERN C#CCn1cc(C#N)c(-c2ccsc2)n1 ZINC000409438556 343844899 /nfs/dbraw/zinc/84/48/99/343844899.db2.gz LUNMSWBJPYFRKU-UHFFFAOYSA-N 0 0 213.265 2.116 10 30 BEEERN CN(C)c1ccc([C@@H](C#N)N2CCCC2)o1 ZINC000409438638 343844971 /nfs/dbraw/zinc/84/49/71/343844971.db2.gz DJCMBJPBGPZXGO-SNVBAGLBSA-N 0 0 219.288 2.006 10 30 BEEERN C#CCn1cc(C#N)c(-c2cccs2)n1 ZINC000409439162 343846324 /nfs/dbraw/zinc/84/63/24/343846324.db2.gz NZFMMVHJQXLHRD-UHFFFAOYSA-N 0 0 213.265 2.116 10 30 BEEERN OCCCC#Cc1cc(C(F)(F)F)ccn1 ZINC000585144908 343880043 /nfs/dbraw/zinc/88/00/43/343880043.db2.gz MYLCIXKLYSTUFF-UHFFFAOYSA-N 0 0 229.201 2.224 10 30 BEEERN Cc1cc(-c2cccs2)nn1CC#N ZINC000409442404 343857685 /nfs/dbraw/zinc/85/76/85/343857685.db2.gz ZMMNNBCOKOPHSE-UHFFFAOYSA-N 0 0 203.270 2.444 10 30 BEEERN C#CCn1nc(-c2cccs2)cc1C=O ZINC000409442988 343864994 /nfs/dbraw/zinc/86/49/94/343864994.db2.gz FFOPUERRXGXSJD-UHFFFAOYSA-N 0 0 216.265 2.057 10 30 BEEERN C#CCn1nc(-c2cccs2)cc1CC#N ZINC000409443023 343865512 /nfs/dbraw/zinc/86/55/12/343865512.db2.gz FQHGTBPIRQVCHZ-UHFFFAOYSA-N 0 0 227.292 2.311 10 30 BEEERN O=C[C@H]1CCCN(c2ncccc2Cl)C1 ZINC000054268673 343885008 /nfs/dbraw/zinc/88/50/08/343885008.db2.gz JDSHHDUANLDWPS-VIFPVBQESA-N 0 0 224.691 2.150 10 30 BEEERN C#C[C@H](C)Nc1cnn(Cc2ccccc2)c1 ZINC000307491513 343937766 /nfs/dbraw/zinc/93/77/66/343937766.db2.gz PRGJKIVRCGUUDM-LBPRGKRZSA-N 0 0 225.295 2.365 10 30 BEEERN C[C@H](NCc1ccc(C#N)o1)c1cccnc1 ZINC000135131513 343940346 /nfs/dbraw/zinc/94/03/46/343940346.db2.gz JFESDFRZHMTBBX-JTQLQIEISA-N 0 0 227.267 2.397 10 30 BEEERN C=C(C)C(=O)c1cccc(C(=O)OC)c1 ZINC000393756676 343924373 /nfs/dbraw/zinc/92/43/73/343924373.db2.gz HKGBWPIMLJXHEV-UHFFFAOYSA-N 0 0 204.225 2.232 10 30 BEEERN OCC#Cc1cc(Cl)cc(Cl)c1 ZINC000022203349 343926276 /nfs/dbraw/zinc/92/62/76/343926276.db2.gz PKGNSGMKERDLBQ-UHFFFAOYSA-N 0 0 201.052 2.337 10 30 BEEERN CCN(C)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000335890817 344044974 /nfs/dbraw/zinc/04/49/74/344044974.db2.gz QMOYQAKVSFDNAY-PWSUYJOCSA-N 0 0 223.320 2.120 10 30 BEEERN CC#CCNc1ccc(Br)cn1 ZINC000159089957 347021298 /nfs/dbraw/zinc/02/12/98/347021298.db2.gz PGUPQWMBYXBCPT-UHFFFAOYSA-N 0 0 225.089 2.279 10 30 BEEERN CCOC(=O)C=CNc1ccccc1OC ZINC000257354653 344104747 /nfs/dbraw/zinc/10/47/47/344104747.db2.gz ZAMJRRIHSLETJI-UHFFFAOYSA-N 0 0 221.256 2.351 10 30 BEEERN O=C1C=C(I)CCC1 ZINC000036449144 344105227 /nfs/dbraw/zinc/10/52/27/344105227.db2.gz MAKRQTKPKWXSRR-UHFFFAOYSA-N 0 0 222.025 2.058 10 30 BEEERN C[C@@H](O)C#Cc1nccc2sccc21 ZINC000585143834 344178127 /nfs/dbraw/zinc/17/81/27/344178127.db2.gz PHWJWJXHVOSHQS-MRVPVSSYSA-N 0 0 203.266 2.029 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NCc1cncs1 ZINC000131463413 344231923 /nfs/dbraw/zinc/23/19/23/344231923.db2.gz PUSWRKQTMSMBJR-MWLCHTKSSA-N 0 0 221.329 2.315 10 30 BEEERN Cc1nsc(C#Cc2ccccc2)n1 ZINC000585145129 344179812 /nfs/dbraw/zinc/17/98/12/344179812.db2.gz YWGLJPYUUOVRQD-UHFFFAOYSA-N 0 0 200.266 2.246 10 30 BEEERN C=CCNc1cc(Cl)nc(SC)n1 ZINC000220436155 344329699 /nfs/dbraw/zinc/32/96/99/344329699.db2.gz IOPOOZSXZBKPHQ-UHFFFAOYSA-N 0 0 215.709 2.450 10 30 BEEERN N/C(=N/O)c1cc(Br)ccc1Cl ZINC000236341902 344355487 /nfs/dbraw/zinc/35/54/87/344355487.db2.gz PEQWYLVYRVIYME-UHFFFAOYSA-N 0 0 249.495 2.197 10 30 BEEERN CCOC(=O)C#Cc1ccc2ccccc2n1 ZINC000158621256 344356126 /nfs/dbraw/zinc/35/61/26/344356126.db2.gz KNHUTNYPYCCEFD-UHFFFAOYSA-N 0 0 225.247 2.149 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061889075 344424285 /nfs/dbraw/zinc/42/42/85/344424285.db2.gz OYINKCOTAVORFZ-RKDXNWHRSA-N 0 0 210.277 2.203 10 30 BEEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccncc1 ZINC000054825127 344457113 /nfs/dbraw/zinc/45/71/13/344457113.db2.gz UMIQZBPBIXHREY-UHTWSYAYSA-N 0 0 215.300 2.424 10 30 BEEERN Cc1nc(C)c(-c2cc(C#N)ncn2)s1 ZINC000409436517 344462919 /nfs/dbraw/zinc/46/29/19/344462919.db2.gz DMTZODGOEIZCKK-UHFFFAOYSA-N 0 0 216.269 2.089 10 30 BEEERN Cc1nc(C#N)cc(COc2ccccc2)n1 ZINC000409439714 344462998 /nfs/dbraw/zinc/46/29/98/344462998.db2.gz TYYNEYBJRCYOEG-UHFFFAOYSA-N 0 0 225.251 2.236 10 30 BEEERN N#Cc1cc(N2CCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000400371120 344539462 /nfs/dbraw/zinc/53/94/62/344539462.db2.gz GHQQVIDGFCUOPD-UHFFFAOYSA-N 0 0 243.266 2.457 10 30 BEEERN C#C[C@H](NN)c1cc2sccc2s1 ZINC000158138650 344550993 /nfs/dbraw/zinc/55/09/93/344550993.db2.gz GMCFRZDUBQVQQQ-LURJTMIESA-N 0 0 208.311 2.100 10 30 BEEERN CCC1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC000044825067 344551108 /nfs/dbraw/zinc/55/11/08/344551108.db2.gz KKCPHCWTDLFWHJ-KPPDAEKUSA-N 0 0 208.305 2.231 10 30 BEEERN N#CCc1cc(C(F)(F)F)c(N)cc1F ZINC000396095042 344598451 /nfs/dbraw/zinc/59/84/51/344598451.db2.gz JSCFEVDXFXOENB-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN COc1c(CC#N)nccc1C(F)(F)F ZINC000396103423 344602894 /nfs/dbraw/zinc/60/28/94/344602894.db2.gz KYJKDVURANDYTC-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1c(N)cc(C(F)(F)F)cc1F ZINC000396107588 344604010 /nfs/dbraw/zinc/60/40/10/344604010.db2.gz WYIVTOVFHMOKRF-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN COc1cnc(CC#N)cc1C(F)(F)F ZINC000396108407 344604887 /nfs/dbraw/zinc/60/48/87/344604887.db2.gz VWXOXEGUJPCDJP-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN COc1ccc(C(F)(F)F)c(CC#N)n1 ZINC000396110152 344605376 /nfs/dbraw/zinc/60/53/76/344605376.db2.gz ZTYMOAHENFFXMU-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1cncc(C(F)(F)F)c1[N+](=O)[O-] ZINC000396121790 344608483 /nfs/dbraw/zinc/60/84/83/344608483.db2.gz RGONNKNNXULQLH-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN C=C[C@@H](NN)c1csc(Br)c1 ZINC000158448144 344655723 /nfs/dbraw/zinc/65/57/23/344655723.db2.gz OUCVLPWSJCAWKI-ZCFIWIBFSA-N 0 0 233.134 2.201 10 30 BEEERN Cc1ccc(N)c(C(=O)Nc2nncs2)c1 ZINC000050212517 178702746 /nfs/dbraw/zinc/70/27/46/178702746.db2.gz OMBHBINVIMKNBF-UHFFFAOYSA-N 0 0 234.284 2.065 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NC(=O)C1CCCC1 ZINC000259962456 344702343 /nfs/dbraw/zinc/70/23/43/344702343.db2.gz LRHWFANMAZWELJ-VXGBXAGGSA-N 0 0 220.316 2.375 10 30 BEEERN C[C@H](C#N)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000289361911 344709485 /nfs/dbraw/zinc/70/94/85/344709485.db2.gz AGZXTORGHDRPTC-OCCSQVGLSA-N 0 0 241.338 2.035 10 30 BEEERN C[C@@H](C#N)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289361909 344709492 /nfs/dbraw/zinc/70/94/92/344709492.db2.gz AGZXTORGHDRPTC-GXTWGEPZSA-N 0 0 241.338 2.035 10 30 BEEERN CC(C)(C#N)C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000378082484 534970458 /nfs/dbraw/zinc/97/04/58/534970458.db2.gz HESYXAGYRLWAPR-QWRGUYRKSA-N 0 0 220.316 2.327 10 30 BEEERN C=C(Cl)CNC(=O)N[C@@H](C)C(C)C ZINC000077790010 344827423 /nfs/dbraw/zinc/82/74/23/344827423.db2.gz NMDWBNFEQJDYGV-QMMMGPOBSA-N 0 0 204.701 2.083 10 30 BEEERN CCOc1ccc(C#CC(C)(C)O)cc1 ZINC000039099275 344831195 /nfs/dbraw/zinc/83/11/95/344831195.db2.gz PZXCWKOYEJCAEP-UHFFFAOYSA-N 0 0 204.269 2.208 10 30 BEEERN CCOc1nc(N)c2ccccc2c1C#N ZINC000039099994 344847217 /nfs/dbraw/zinc/84/72/17/344847217.db2.gz RZWXHSUYJVDHGX-UHFFFAOYSA-N 0 0 213.240 2.087 10 30 BEEERN C=C[C@@H](C)n1cnc(Cl)c(Cl)c1=O ZINC000166288464 344842882 /nfs/dbraw/zinc/84/28/82/344842882.db2.gz WWMRZUUABCIFKG-RXMQYKEDSA-N 0 0 219.071 2.297 10 30 BEEERN C[C@@H](S)C(=O)NC1(C)CCCCC1 ZINC000235269787 344864940 /nfs/dbraw/zinc/86/49/40/344864940.db2.gz BOYFNJCPBLIQBG-MRVPVSSYSA-N 0 0 201.335 2.144 10 30 BEEERN CC(C)(C#N)C(=O)N[C@H]1CCOc2ccccc21 ZINC000042092299 534975599 /nfs/dbraw/zinc/97/55/99/534975599.db2.gz BUDQBGVHXNWPNO-NSHDSACASA-N 0 0 244.294 2.176 10 30 BEEERN CCCCC[C@@]1(C)O[C@@H]1C(=O)OCC ZINC000087649333 537868689 /nfs/dbraw/zinc/86/86/89/537868689.db2.gz FDBNVPHYLGHYHH-MWLCHTKSSA-N 0 0 200.278 2.287 10 30 BEEERN C[C@@H]1CN[C@@H](c2ccccc2C#N)S1 ZINC000235359824 344892273 /nfs/dbraw/zinc/89/22/73/344892273.db2.gz GVEPJXJDBXEPHE-LDYMZIIASA-N 0 0 204.298 2.282 10 30 BEEERN C=CCCS(=O)(=O)NC1CCC(C)(C)CC1 ZINC000120926179 344905148 /nfs/dbraw/zinc/90/51/48/344905148.db2.gz AEECMEILDMBBLR-UHFFFAOYSA-N 0 0 245.388 2.451 10 30 BEEERN C=CC(=O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000235414434 344906482 /nfs/dbraw/zinc/90/64/82/344906482.db2.gz VNCXKYHESMVFRD-OOZYFLPDSA-N 0 0 202.344 2.367 10 30 BEEERN COC(=O)c1c(Cl)ccc(F)c1C#N ZINC000307114174 344929570 /nfs/dbraw/zinc/92/95/70/344929570.db2.gz SPNALLUYRXLZGV-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN Cc1ccc2[nH]c(SC[C@H]3CO3)nc2c1 ZINC000061440372 344937281 /nfs/dbraw/zinc/93/72/81/344937281.db2.gz QUKNLUKHGPUZRL-MRVPVSSYSA-N 0 0 220.297 2.362 10 30 BEEERN C[C@H]1CN[C@@H](c2ccccc2C#N)S1 ZINC000235661692 344977602 /nfs/dbraw/zinc/97/76/02/344977602.db2.gz GVEPJXJDBXEPHE-GZMMTYOYSA-N 0 0 204.298 2.282 10 30 BEEERN C[C@H](S)C(=O)NC1CCCCCC1 ZINC000235552803 344939870 /nfs/dbraw/zinc/93/98/70/344939870.db2.gz COORYLZYDAGLKT-QMMMGPOBSA-N 0 0 201.335 2.144 10 30 BEEERN CCCCCCCC(=O)NCc1noc(C)n1 ZINC000124454469 345043379 /nfs/dbraw/zinc/04/33/79/345043379.db2.gz ZLBPERJFDKROMC-UHFFFAOYSA-N 0 0 239.319 2.355 10 30 BEEERN Cc1ncc(C#N)cc1OC(F)(F)F ZINC000238574687 345079225 /nfs/dbraw/zinc/07/92/25/345079225.db2.gz YZLAFOITAMYNQD-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN Cc1cnc(C#N)cc1OC(F)(F)F ZINC000238497773 345063283 /nfs/dbraw/zinc/06/32/83/345063283.db2.gz YBDDLQBTVBLABC-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN C=CCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116412633 345161717 /nfs/dbraw/zinc/16/17/17/345161717.db2.gz HEGIMPRWTCDUAY-SNVBAGLBSA-N 0 0 220.272 2.312 10 30 BEEERN N#Cc1ccnc(Cl)c1OC(F)F ZINC000307184688 345160515 /nfs/dbraw/zinc/16/05/15/345160515.db2.gz FVPBDRJARSLOEI-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C=CCN1CCO[C@H](c2ccc(C)o2)C1 ZINC000158830945 345381758 /nfs/dbraw/zinc/38/17/58/345381758.db2.gz RALACMUYEJYXGN-LBPRGKRZSA-N 0 0 207.273 2.147 10 30 BEEERN Cc1ccc(Br)cc1OCC=O ZINC000228354519 345328694 /nfs/dbraw/zinc/32/86/94/345328694.db2.gz RXEIBOHBGUHBLT-UHFFFAOYSA-N 0 0 229.073 2.335 10 30 BEEERN N#CCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134848573 345423308 /nfs/dbraw/zinc/42/33/08/345423308.db2.gz ASJAUDWRSMKLIA-CYBMUJFWSA-N 0 0 246.285 2.386 10 30 BEEERN C=C[C@H](C)Nc1nnc(Br)s1 ZINC000229060368 345432606 /nfs/dbraw/zinc/43/26/06/345432606.db2.gz VZEMWEYXPISFOB-BYPYZUCNSA-N 0 0 234.122 2.287 10 30 BEEERN CC[C@@](C)(C#N)C(=O)N[C@H]1COc2ccccc21 ZINC000136257208 345493280 /nfs/dbraw/zinc/49/32/80/345493280.db2.gz GDUKBYZYPIBIAR-FZMZJTMJSA-N 0 0 244.294 2.176 10 30 BEEERN CC(=NNC(N)=S)c1ccc(CC(C)C)cc1 ZINC000252448023 345519424 /nfs/dbraw/zinc/51/94/24/345519424.db2.gz RFYYONHGWYGIPG-UHFFFAOYSA-N 0 0 249.383 2.442 10 30 BEEERN Cc1cccc(C#N)c1S[C@H](C)CO ZINC000221503398 345601744 /nfs/dbraw/zinc/60/17/44/345601744.db2.gz GUJJPNLFRWMIKB-SECBINFHSA-N 0 0 207.298 2.340 10 30 BEEERN O=C(C=NN1CCCCC1)c1ccccc1 ZINC000255970283 345764701 /nfs/dbraw/zinc/76/47/01/345764701.db2.gz DUTOVJKMXFGMAZ-UHFFFAOYSA-N 0 0 216.284 2.341 10 30 BEEERN O=C(CCCCCCc1ccccc1)C(=O)NO ZINC000138507605 345772145 /nfs/dbraw/zinc/77/21/45/345772145.db2.gz JOVMQDOHQVHRGC-UHFFFAOYSA-N 0 0 249.310 2.254 10 30 BEEERN C[C@H]1CCCC[C@@]1(O)C#CBr ZINC000142474160 345863206 /nfs/dbraw/zinc/86/32/06/345863206.db2.gz MMPXWGDMMTXCNH-DTWKUNHWSA-N 0 0 217.106 2.283 10 30 BEEERN C#CCCC(=O)Nc1cnc(Cl)c(C)c1 ZINC000235750463 345841035 /nfs/dbraw/zinc/84/10/35/345841035.db2.gz RUXCHTMEGKHMDN-UHFFFAOYSA-N 0 0 222.675 2.395 10 30 BEEERN C[C@@H](CO)CNc1ccc2c(C#N)nccc2c1 ZINC000143443124 345866359 /nfs/dbraw/zinc/86/63/59/345866359.db2.gz GFXUJYJYWLBARP-SNVBAGLBSA-N 0 0 241.294 2.147 10 30 BEEERN COc1ccc(-c2ccc(C#N)cc2)nc1C=O ZINC000142757489 345874568 /nfs/dbraw/zinc/87/45/68/345874568.db2.gz VWFUOXVMNMXHJZ-UHFFFAOYSA-N 0 0 238.246 2.441 10 30 BEEERN C=CC[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000148296716 345879712 /nfs/dbraw/zinc/87/97/12/345879712.db2.gz GDYFBOMUZUSZTO-NXEZZACHSA-N 0 0 202.319 2.166 10 30 BEEERN CCO[C@H]1C[C@H](C)C2=C(CCCC2=O)O1 ZINC000143033503 345885495 /nfs/dbraw/zinc/88/54/95/345885495.db2.gz JQSVMOMBBHQBSL-GZMMTYOYSA-N 0 0 210.273 2.413 10 30 BEEERN CS(=O)(=O)OCC/C=C\c1ccccc1 ZINC000145086116 345929398 /nfs/dbraw/zinc/92/93/98/345929398.db2.gz DKIVQAWMDQILKD-UITAMQMPSA-N 0 0 226.297 2.066 10 30 BEEERN N#Cc1ccc(CC=O)cc1OC(F)(F)F ZINC000144510506 345922110 /nfs/dbraw/zinc/92/21/10/345922110.db2.gz AOZBPIAHPQOWMZ-UHFFFAOYSA-N 0 0 229.157 2.198 10 30 BEEERN C=CCCC[C@H](C)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000182580701 345936112 /nfs/dbraw/zinc/93/61/12/345936112.db2.gz SLNNRLRHQNDZAZ-QJPTWQEYSA-N 0 0 225.332 2.415 10 30 BEEERN C[C@@H]1Cc2nc(N)c(C#N)cc2[C@@H](C)C1 ZINC000082831379 537943244 /nfs/dbraw/zinc/94/32/44/537943244.db2.gz RVELBHTWMMPHKQ-YUMQZZPRSA-N 0 0 201.273 2.221 10 30 BEEERN CCc1csc(N2CCCC[C@@H]2C=O)n1 ZINC000061895206 346174837 /nfs/dbraw/zinc/17/48/37/346174837.db2.gz ILJJPHHYCBJUDH-SNVBAGLBSA-N 0 0 224.329 2.263 10 30 BEEERN CCc1csc(N2CCC(C=O)CC2)n1 ZINC000061895208 346175185 /nfs/dbraw/zinc/17/51/85/346175185.db2.gz BBEKJTAZNBYKDG-UHFFFAOYSA-N 0 0 224.329 2.121 10 30 BEEERN N#Cc1cc(Cl)nc(Sc2ncc[nH]2)c1 ZINC000236069378 346187601 /nfs/dbraw/zinc/18/76/01/346187601.db2.gz IHGGDKKJZPUTHN-UHFFFAOYSA-N 0 0 236.687 2.481 10 30 BEEERN Cn1ccnc1C(=O)C1=CCCCCC1 ZINC000236064285 346187957 /nfs/dbraw/zinc/18/79/57/346187957.db2.gz XILLDAVQGATBQD-UHFFFAOYSA-N 0 0 204.273 2.493 10 30 BEEERN N#CCOc1cc(F)c(Br)cc1N ZINC000236327000 346225916 /nfs/dbraw/zinc/22/59/16/346225916.db2.gz FBLZKRXXFYUYQE-UHFFFAOYSA-N 0 0 245.051 2.073 10 30 BEEERN C=CCOCCCNC(=O)c1ccccc1 ZINC000034453005 346288650 /nfs/dbraw/zinc/28/86/50/346288650.db2.gz QCABSLDDQYHXOQ-UHFFFAOYSA-N 0 0 219.284 2.009 10 30 BEEERN Cc1cccc(CC(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000061888560 179053290 /nfs/dbraw/zinc/05/32/90/179053290.db2.gz DKVZBXBIJXCUHX-KGLIPLIRSA-N 0 0 242.322 2.346 10 30 BEEERN Cc1cccc(N(C)C[C@@]2(C=O)CCCOC2)c1 ZINC000104324886 179115793 /nfs/dbraw/zinc/11/57/93/179115793.db2.gz HFNYUZXTWPJKML-OAHLLOKOSA-N 0 0 247.338 2.427 10 30 BEEERN Cc1cccc(NN=C2NCCS2)c1C ZINC000039110376 179120955 /nfs/dbraw/zinc/12/09/55/179120955.db2.gz UDZABZKTJRTGQO-UHFFFAOYSA-N 0 0 221.329 2.323 10 30 BEEERN N#Cc1ccc(N2CC[C@@H](C(F)F)C2)nc1 ZINC000588040564 346627630 /nfs/dbraw/zinc/62/76/30/346627630.db2.gz DHHREUNYITYSHU-SECBINFHSA-N 0 0 223.226 2.045 10 30 BEEERN CCOC(=O)Cc1c(C)cc2ccc(C#N)cn21 ZINC000166524478 346679137 /nfs/dbraw/zinc/67/91/37/346679137.db2.gz WQZAFEXTWKWLJI-UHFFFAOYSA-N 0 0 242.278 2.225 10 30 BEEERN C=C(C(=O)OCC)[C@@H](O)c1c(F)cccc1F ZINC000019835293 187370802 /nfs/dbraw/zinc/37/08/02/187370802.db2.gz JNOJQGPPPHQIRK-LLVKDONJSA-N 0 0 242.221 2.118 10 30 BEEERN Cc1cncc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000309703628 347145453 /nfs/dbraw/zinc/14/54/53/347145453.db2.gz NOIKFRVKPNVDEY-STQMWFEESA-N 0 0 215.300 2.172 10 30 BEEERN Cc1cccc([C@@H](C#N)C(=O)[C@H]2CCOC2)c1 ZINC000055332565 179176685 /nfs/dbraw/zinc/17/66/85/179176685.db2.gz AJYBBTQFOAJKLU-QWHCGFSZSA-N 0 0 229.279 2.208 10 30 BEEERN N#C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)C1CC1 ZINC000108840955 347208297 /nfs/dbraw/zinc/20/82/97/347208297.db2.gz JTLXXKOXXFAYEF-CYBMUJFWSA-N 0 0 239.278 2.200 10 30 BEEERN Cc1cccc([C@H](C#N)C(=O)[C@@H]2CCOC2)c1 ZINC000055332564 179191660 /nfs/dbraw/zinc/19/16/60/179191660.db2.gz AJYBBTQFOAJKLU-OLZOCXBDSA-N 0 0 229.279 2.208 10 30 BEEERN Cc1cc(NC[C@H](C)C#N)c(C#N)c(C)n1 ZINC000301670916 136731629 /nfs/dbraw/zinc/73/16/29/136731629.db2.gz NXTJYMLMVYQGAZ-MRVPVSSYSA-N 0 0 214.272 2.142 10 30 BEEERN Cc1nc([C@@H]2CCCN2CC#N)cs1 ZINC000189747785 347309799 /nfs/dbraw/zinc/30/97/99/347309799.db2.gz HFKWRWQWYYBXRR-JTQLQIEISA-N 0 0 207.302 2.112 10 30 BEEERN Cc1ccccc1-c1cc(=O)[nH]cc1C#N ZINC000090562810 179235264 /nfs/dbraw/zinc/23/52/64/179235264.db2.gz VWDOSWIUAFHHQM-UHFFFAOYSA-N 0 0 210.236 2.222 10 30 BEEERN CN(Cc1ccncc1)[C@@H]1CCC[C@@H]1C#N ZINC000036776126 347463593 /nfs/dbraw/zinc/46/35/93/347463593.db2.gz GWMOYZQOUTWPGP-CHWSQXEVSA-N 0 0 215.300 2.206 10 30 BEEERN Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061889179 179251030 /nfs/dbraw/zinc/25/10/30/179251030.db2.gz AFYMRLOYEZGVST-DGCLKSJQSA-N 0 0 228.295 2.417 10 30 BEEERN Cc1ccccc1CNc1ncc(N)cc1C#N ZINC000037759207 179285614 /nfs/dbraw/zinc/28/56/14/179285614.db2.gz BZDBXKUUXXPTJG-UHFFFAOYSA-N 0 0 238.294 2.456 10 30 BEEERN Cc1ccccc1N(C)C[C@@]1(C=O)CCCOC1 ZINC000104326453 179294181 /nfs/dbraw/zinc/29/41/81/179294181.db2.gz VXWLQTHNJQHDCC-OAHLLOKOSA-N 0 0 247.338 2.427 10 30 BEEERN CSCC(=O)Nc1cc(C#N)ccc1C ZINC000049524617 323162004 /nfs/dbraw/zinc/16/20/04/323162004.db2.gz MNNXRKOEWQGVMB-UHFFFAOYSA-N 0 0 220.297 2.168 10 30 BEEERN C[C@H](CC=O)CCO[C@@H]1CCCCO1 ZINC000200042169 347787472 /nfs/dbraw/zinc/78/74/72/347787472.db2.gz GKOYIGWZEGXHMI-GHMZBOCLSA-N 0 0 200.278 2.145 10 30 BEEERN C=CCCO[C@@H](C)C(=O)N[C@H](C)C(C)C ZINC000125082346 166272359 /nfs/dbraw/zinc/27/23/59/166272359.db2.gz CYLRIAWPSFYQEQ-MNOVXSKESA-N 0 0 213.321 2.128 10 30 BEEERN C=C(C)C(=O)NC[C@@H]1CCNc2ccccc21 ZINC000616570402 348065757 /nfs/dbraw/zinc/06/57/57/348065757.db2.gz FYSKJDMZSBUKNN-NSHDSACASA-N 0 0 230.311 2.278 10 30 BEEERN O=C(NO)c1ccc(Cc2ccccc2)cc1 ZINC000221911452 348201372 /nfs/dbraw/zinc/20/13/72/348201372.db2.gz SINFWKIMBWYRQJ-UHFFFAOYSA-N 0 0 227.263 2.396 10 30 BEEERN C=CCCCC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000175233258 187391136 /nfs/dbraw/zinc/39/11/36/187391136.db2.gz TZIYTKJTSCCJGV-WDEREUQCSA-N 0 0 211.305 2.026 10 30 BEEERN Cc1cccnc1CNc1ccc(N)cc1C#N ZINC000071339700 179384359 /nfs/dbraw/zinc/38/43/59/179384359.db2.gz RPBHKNPJJJUSAG-UHFFFAOYSA-N 0 0 238.294 2.456 10 30 BEEERN C[C@H](COC[C@@H]1CO1)OCc1ccccc1 ZINC000226017454 348289665 /nfs/dbraw/zinc/28/96/65/348289665.db2.gz HUHNQVIOUQJLPV-DGCLKSJQSA-N 0 0 222.284 2.007 10 30 BEEERN C[C@H](COC[C@H]1CO1)OCc1ccccc1 ZINC000226017429 348289834 /nfs/dbraw/zinc/28/98/34/348289834.db2.gz HUHNQVIOUQJLPV-YPMHNXCESA-N 0 0 222.284 2.007 10 30 BEEERN CCCc1nccnc1N1CC[C@@](C)(C#N)C1 ZINC000596531690 348568948 /nfs/dbraw/zinc/56/89/48/348568948.db2.gz NGRQQMVFZAMGGG-ZDUSSCGKSA-N 0 0 230.315 2.169 10 30 BEEERN N#Cc1ccc(Cl)c(N2CCCC2)n1 ZINC000669383654 538011152 /nfs/dbraw/zinc/01/11/52/538011152.db2.gz WQYHEQWIFMPFFJ-UHFFFAOYSA-N 0 0 207.664 2.207 10 30 BEEERN CC[C@@H](Nc1ccnc(C#N)n1)C(C)C ZINC000308863634 348979899 /nfs/dbraw/zinc/97/98/99/348979899.db2.gz QAVJGEKAFGOOOW-SECBINFHSA-N 0 0 204.277 2.195 10 30 BEEERN FC1(F)CCc2onc(CS)c2C1 ZINC000725252064 538031969 /nfs/dbraw/zinc/03/19/69/538031969.db2.gz CTYYOPQTSPNMDN-UHFFFAOYSA-N 0 0 205.229 2.228 10 30 BEEERN C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C#N)C(F)(F)F ZINC000599629684 349228069 /nfs/dbraw/zinc/22/80/69/349228069.db2.gz KQZAPPCWTUHBIV-IWSPIJDZSA-N 0 0 248.248 2.383 10 30 BEEERN Cc1cocc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000599629720 349229298 /nfs/dbraw/zinc/22/92/98/349229298.db2.gz LFXOZDWLUUFFTN-ONGXEEELSA-N 0 0 218.256 2.010 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCC12CC2 ZINC000599630228 349231473 /nfs/dbraw/zinc/23/14/73/349231473.db2.gz OXDFRSSGNOJNJY-TUAOUCFPSA-N 0 0 232.327 2.375 10 30 BEEERN CN(C)c1ccc2nc(C#N)sc2c1 ZINC000075847109 349268657 /nfs/dbraw/zinc/26/86/57/349268657.db2.gz QSLBGABSECHQIW-UHFFFAOYSA-N 0 0 203.270 2.234 10 30 BEEERN N#CCCCCOC(=O)Cc1ccccc1N ZINC000049579288 187435280 /nfs/dbraw/zinc/43/52/80/187435280.db2.gz ZIENXQICAUPURY-UHFFFAOYSA-N 0 0 232.283 2.048 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCC(F)(F)F ZINC000088833725 191000904 /nfs/dbraw/zinc/00/09/04/191000904.db2.gz FGFFRXNSCWFFTD-JGVFFNPUSA-N 0 0 234.221 2.137 10 30 BEEERN O=CCc1ccc(OC(F)(F)F)cc1 ZINC000078434591 490279734 /nfs/dbraw/zinc/27/97/34/490279734.db2.gz BTDPLBOMIMEMKB-UHFFFAOYSA-N 0 0 204.147 2.327 10 30 BEEERN O=CC[C@H](O)c1ccc2ccccc2c1 ZINC000159371580 350080650 /nfs/dbraw/zinc/08/06/50/350080650.db2.gz AUGBIUIZATWSAG-ZDUSSCGKSA-N 0 0 200.237 2.462 10 30 BEEERN COc1cc(CC#N)c(Br)cc1O ZINC000217114790 350039319 /nfs/dbraw/zinc/03/93/19/350039319.db2.gz JIYODSUDINAVRU-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN CC1(C)O[C@](C)(c2ccccc2)[C@H]2O[C@H]21 ZINC000196481440 350063649 /nfs/dbraw/zinc/06/36/49/350063649.db2.gz WTZYTXUYRNYYGF-NTZNESFSSA-N 0 0 204.269 2.478 10 30 BEEERN Cc1nc(N[C@@]2(C)CCCOC2)ccc1C#N ZINC000310202501 180024186 /nfs/dbraw/zinc/02/41/86/180024186.db2.gz SOPBRYCMCFWUMH-ZDUSSCGKSA-N 0 0 231.299 2.243 10 30 BEEERN CCOC(=O)c1ccc(CCCC=O)cc1 ZINC000039333531 350115327 /nfs/dbraw/zinc/11/53/27/350115327.db2.gz WIUWXKUFRLNZSR-UHFFFAOYSA-N 0 0 220.268 2.385 10 30 BEEERN Cc1ccc([C@H](O)CC=O)c(Br)c1 ZINC000159425614 350137559 /nfs/dbraw/zinc/13/75/59/350137559.db2.gz KDIMJECWRDCWQA-SNVBAGLBSA-N 0 0 243.100 2.380 10 30 BEEERN C[C@H](C#N)NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000604543643 350143583 /nfs/dbraw/zinc/14/35/83/350143583.db2.gz NSRZLIUGGCISGO-FOGDFJRCSA-N 0 0 246.310 2.364 10 30 BEEERN Cc1ncsc1[C@H](C)NC[C@@H](C)C#N ZINC000054181418 180327028 /nfs/dbraw/zinc/32/70/28/180327028.db2.gz VBDCKHGCPATHJW-YUMQZZPRSA-N 0 0 209.318 2.262 10 30 BEEERN Cc1ncsc1[C@H](C)NC[C@H](C)C#N ZINC000054181421 180327197 /nfs/dbraw/zinc/32/71/97/180327197.db2.gz VBDCKHGCPATHJW-SFYZADRCSA-N 0 0 209.318 2.262 10 30 BEEERN Cc1nn(-c2ccccc2)c2nc(N)c(C#N)cc12 ZINC000031887193 180330358 /nfs/dbraw/zinc/33/03/58/180330358.db2.gz JMCJZNYMJSFCCI-UHFFFAOYSA-N 0 0 249.277 2.183 10 30 BEEERN CC[C@H](C#N)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000328272790 350396066 /nfs/dbraw/zinc/39/60/66/350396066.db2.gz PZENLWSIHQXQPH-IHHDOHNISA-N 0 0 246.354 2.477 10 30 BEEERN Cc1nn(C)c(N(C)Cc2ccsc2)c1C#N ZINC000104326982 180353130 /nfs/dbraw/zinc/35/31/30/180353130.db2.gz HKYZOLNXMDCETH-UHFFFAOYSA-N 0 0 246.339 2.298 10 30 BEEERN C=CCn1c(C(C)(C)C)cc(=S)[nH]c1=O ZINC000409437128 350480417 /nfs/dbraw/zinc/48/04/17/350480417.db2.gz CIGVKGOKLLGTBV-UHFFFAOYSA-N 0 0 224.329 2.016 10 30 BEEERN Cc1nn(Cc2cc(C#N)ccc2F)c(C)c1N ZINC000019869452 180391520 /nfs/dbraw/zinc/39/15/20/180391520.db2.gz DMRXRVYNXHLVTL-UHFFFAOYSA-N 0 0 244.273 2.141 10 30 BEEERN Cc1nn2c(nc(Cl)cc2Cl)c1C#N ZINC000071475536 180394160 /nfs/dbraw/zinc/39/41/60/180394160.db2.gz GYOVXAVPENRCKP-UHFFFAOYSA-N 0 0 227.054 2.216 10 30 BEEERN Cc1nnc(C)n1/N=C/C(Cl)(Cl)Cl ZINC000071784322 180399510 /nfs/dbraw/zinc/39/95/10/180399510.db2.gz YKDMVSJGRLLOBN-XCVCLJGOSA-N 0 0 241.509 2.099 10 30 BEEERN O=C(C1=CCCO1)C(F)(F)C(F)(F)F ZINC000236142135 350730745 /nfs/dbraw/zinc/73/07/45/350730745.db2.gz GTAIBHLWVOSTDT-UHFFFAOYSA-N 0 0 216.105 2.057 10 30 BEEERN COC(=O)c1c(C#N)ccc(F)c1Cl ZINC000306670809 350816877 /nfs/dbraw/zinc/81/68/77/350816877.db2.gz DWHWNKRYZMIVFH-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN COC(=O)N1CC[C@H](c2ccccc2C#N)C1 ZINC000616610279 350808425 /nfs/dbraw/zinc/80/84/25/350808425.db2.gz MRAURLPBWUQKEP-NSHDSACASA-N 0 0 230.267 2.114 10 30 BEEERN CC[C@@H]1C[C@]2(CCC[C@H](C=O)O2)CCO1 ZINC000306729674 350898359 /nfs/dbraw/zinc/89/83/59/350898359.db2.gz OSQXQSOHLQLKJC-UTUOFQBUSA-N 0 0 212.289 2.082 10 30 BEEERN C[C@@]1([C@@]2(C=O)CCCS2)CCC[C@]1(C)O ZINC000306731589 350900714 /nfs/dbraw/zinc/90/07/14/350900714.db2.gz QUMCWPGSUSBJFO-WOPDTQHZSA-N 0 0 228.357 2.392 10 30 BEEERN CCCCCCCCCCOS(N)(=O)=O ZINC000034718172 168650182 /nfs/dbraw/zinc/65/01/82/168650182.db2.gz JBKMRMOTMJVNML-UHFFFAOYSA-N 0 0 237.365 2.347 10 30 in-vivo BEEERN Cc1nnsc1C[C@@]1(C=O)CCC[C@H]1C ZINC000306722596 350889969 /nfs/dbraw/zinc/88/99/69/350889969.db2.gz FWYHUCXOBSERAH-LDYMZIIASA-N 0 0 224.329 2.394 10 30 BEEERN C=CC(=O)c1ccccc1C(=O)OCC ZINC000002579511 350894847 /nfs/dbraw/zinc/89/48/47/350894847.db2.gz KWJBTQNNRDJPHP-UHFFFAOYSA-N 0 0 204.225 2.232 10 30 BEEERN Cc1ccncc1[C@H]1CCC[C@@H](C=O)O1 ZINC000306728662 350897062 /nfs/dbraw/zinc/89/70/62/350897062.db2.gz NPKIAKSMQPHRTI-CMPLNLGQSA-N 0 0 205.257 2.199 10 30 BEEERN C#Cc1csc(-c2ccc(N)cc2)n1 ZINC000159714155 350984361 /nfs/dbraw/zinc/98/43/61/350984361.db2.gz KWPPDPGKBIYJJE-UHFFFAOYSA-N 0 0 200.266 2.374 10 30 BEEERN CC=C=CC(=O)c1ccncc1Br ZINC000306776697 351017937 /nfs/dbraw/zinc/01/79/37/351017937.db2.gz ZOEVKRDJOHAFJP-UHFFFAOYSA-N 0 0 238.084 2.440 10 30 BEEERN Cc1nc(CN[C@H]2CCCC[C@@H]2C#N)oc1C ZINC000231654436 351035428 /nfs/dbraw/zinc/03/54/28/351035428.db2.gz NQJMIQXCDXKIRL-NEPJUHHUSA-N 0 0 233.315 2.463 10 30 BEEERN Cc1nsc(NCC[C@@H]2CCCO2)c1C#N ZINC000086254888 351049242 /nfs/dbraw/zinc/04/92/42/351049242.db2.gz AQSHWSUTGIXOKW-VIFPVBQESA-N 0 0 237.328 2.304 10 30 BEEERN CO[C@@H]1CCCC[C@]12CC[C@](C)(C=O)O2 ZINC000306808593 351061428 /nfs/dbraw/zinc/06/14/28/351061428.db2.gz PODABDMBHCWMPA-UTUOFQBUSA-N 0 0 212.289 2.082 10 30 BEEERN C=C(Br)CNc1cnc(Cl)cn1 ZINC000306820255 351090375 /nfs/dbraw/zinc/09/03/75/351090375.db2.gz MOIYUSBMEWUCTD-UHFFFAOYSA-N 0 0 248.511 2.451 10 30 BEEERN C=CCNc1nc2ccc(N)cc2s1 ZINC000063104569 351169851 /nfs/dbraw/zinc/16/98/51/351169851.db2.gz GHSBDDXFBWVTQW-UHFFFAOYSA-N 0 0 205.286 2.476 10 30 BEEERN CCN1CCCOC[C@@H]1c1ccccc1C#N ZINC000616646513 351171614 /nfs/dbraw/zinc/17/16/14/351171614.db2.gz PXIRHMHVMDNDCL-CQSZACIVSA-N 0 0 230.311 2.342 10 30 BEEERN Clc1ccc(/C=N\n2cnnc2)cc1Cl ZINC000033296548 180578236 /nfs/dbraw/zinc/57/82/36/180578236.db2.gz MAISIODNGDCTGR-CPSFFCFKSA-N 0 0 241.081 2.467 10 30 BEEERN CC#CCNc1nc(Br)cs1 ZINC000167995191 351225067 /nfs/dbraw/zinc/22/50/67/351225067.db2.gz YBOXAGUPOUNQDF-UHFFFAOYSA-N 0 0 231.118 2.341 10 30 BEEERN N#Cc1ccc(-c2ccncn2)nc1Cl ZINC000306889103 351298021 /nfs/dbraw/zinc/29/80/21/351298021.db2.gz XAWHBIJNYGSXPZ-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN C=C(Cl)CNc1nc(Cl)ccc1N ZINC000168169914 351329428 /nfs/dbraw/zinc/32/94/28/351329428.db2.gz XQAMFAJZSHSHGH-UHFFFAOYSA-N 0 0 218.087 2.482 10 30 BEEERN Cn1cccc1-c1c2c(nc(N)c1C#N)CCC2 ZINC000034935107 351349454 /nfs/dbraw/zinc/34/94/54/351349454.db2.gz JBJZQZNVEOLSRX-UHFFFAOYSA-N 0 0 238.294 2.030 10 30 BEEERN Cc1cscc1NC(=O)C#CBr ZINC000307026694 351435617 /nfs/dbraw/zinc/43/56/17/351435617.db2.gz YURIDGLHJGFFSF-UHFFFAOYSA-N 0 0 244.113 2.351 10 30 BEEERN CO[C@H](C)c1nsc(C(C)(C)C#N)n1 ZINC000307063691 351460785 /nfs/dbraw/zinc/46/07/85/351460785.db2.gz PWWJAOWLXZFDJS-ZCFIWIBFSA-N 0 0 211.290 2.047 10 30 BEEERN C#CC[C@@H](C)Nc1nnc(C(C)C)s1 ZINC000307069123 351463437 /nfs/dbraw/zinc/46/34/37/351463437.db2.gz ZHRMWSRTHXCXAQ-MRVPVSSYSA-N 0 0 209.318 2.485 10 30 BEEERN N#Cc1ccc([O-])c(F)c1Br ZINC000231849658 351408500 /nfs/dbraw/zinc/40/85/00/351408500.db2.gz ANQXFSUVMKDXSU-UHFFFAOYSA-N 0 0 216.009 2.165 10 30 BEEERN N#CCc1cc(C(F)(F)F)cc(F)n1 ZINC000307011306 351419070 /nfs/dbraw/zinc/41/90/70/351419070.db2.gz OSHZUXRBDGMADE-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN CN(C)[C@H](C#N)c1cccc(O)c1Cl ZINC000307143647 351502063 /nfs/dbraw/zinc/50/20/63/351502063.db2.gz FPICURIGEBWNNT-MRVPVSSYSA-N 0 0 210.664 2.172 10 30 BEEERN CC[C@@H]1CCC[C@H]1NC(=O)C#CBr ZINC000307126596 351491671 /nfs/dbraw/zinc/49/16/71/351491671.db2.gz IHYUDGXQMGRQLR-RKDXNWHRSA-N 0 0 244.132 2.037 10 30 BEEERN O=C[C@H]1CC[C@@H](c2ncc(Cl)s2)O1 ZINC000307167225 351537341 /nfs/dbraw/zinc/53/73/41/351537341.db2.gz QZYKPYMIZUIYJL-RITPCOANSA-N 0 0 217.677 2.216 10 30 BEEERN C#CC(C)(C)Oc1cnc(Br)cn1 ZINC000307178761 351565413 /nfs/dbraw/zinc/56/54/13/351565413.db2.gz JQJJNIWSFQQPPA-UHFFFAOYSA-N 0 0 241.088 2.030 10 30 BEEERN N#CCCN(c1ncccc1F)C1CC1 ZINC000054700392 187492186 /nfs/dbraw/zinc/49/21/86/187492186.db2.gz BLVXLAUBEYCZSE-UHFFFAOYSA-N 0 0 205.236 2.103 10 30 BEEERN N#CC1(CO)CC(OCc2cccc(F)c2)C1 ZINC000606302106 351553649 /nfs/dbraw/zinc/55/36/49/351553649.db2.gz BVRDYSRUTIBVGX-UHFFFAOYSA-N 0 0 235.258 2.007 10 30 BEEERN C#Cc1ccc(OCc2cccnc2)nc1 ZINC000606302189 351555705 /nfs/dbraw/zinc/55/57/05/351555705.db2.gz HGHBSXZFBPNESR-UHFFFAOYSA-N 0 0 210.236 2.037 10 30 BEEERN COc1ccccc1CC1CC(C#N)(CO)C1 ZINC000606302578 351557666 /nfs/dbraw/zinc/55/76/66/351557666.db2.gz QPDWAMAQCVYCHG-UHFFFAOYSA-N 0 0 231.295 2.150 10 30 BEEERN C=CCN(CC=C)OC(=O)c1ccccc1 ZINC000021995471 166337522 /nfs/dbraw/zinc/33/75/22/166337522.db2.gz YOJATWQKZIJCOY-UHFFFAOYSA-N 0 0 217.268 2.432 10 30 BEEERN CN(O)C(=O)c1ccc(F)cc1Br ZINC000307235650 351711451 /nfs/dbraw/zinc/71/14/51/351711451.db2.gz GKTSBBJKBRSJPK-UHFFFAOYSA-N 0 0 248.051 2.049 10 30 BEEERN N#Cc1cc(C(F)(F)F)c(N)cc1F ZINC000307270215 351817999 /nfs/dbraw/zinc/81/79/99/351817999.db2.gz OSPNDKKKOGWKML-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN CC(C)COCCNc1cccc(C#N)n1 ZINC000135475371 187535587 /nfs/dbraw/zinc/53/55/87/187535587.db2.gz UTZIUOGPIMXDCB-UHFFFAOYSA-N 0 0 219.288 2.038 10 30 BEEERN Cn1cc([C@H](C#N)Nc2ccccc2F)cn1 ZINC000037939020 180669601 /nfs/dbraw/zinc/66/96/01/180669601.db2.gz NZWALIFTZWBRRC-LBPRGKRZSA-N 0 0 230.246 2.236 10 30 BEEERN O=C[C@@](O)(c1ccccc1)C1CCCC1 ZINC000224679301 363117665 /nfs/dbraw/zinc/11/76/65/363117665.db2.gz OJRCNZGGFXQNAK-CYBMUJFWSA-N 0 0 204.269 2.263 10 30 BEEERN Cc1cnc([C@H](C)NCc2ccnc(C#N)c2)o1 ZINC000230645691 352196442 /nfs/dbraw/zinc/19/64/42/352196442.db2.gz OJMZZOIYRKRIMK-JTQLQIEISA-N 0 0 242.282 2.101 10 30 BEEERN CCC(C#N)(CC)C(=O)NCC[C@H]1CCCO1 ZINC000044767376 352394009 /nfs/dbraw/zinc/39/40/09/352394009.db2.gz CPUMVOSUGCAQLL-LLVKDONJSA-N 0 0 238.331 2.002 10 30 BEEERN C=C(Br)CNc1ncc(F)cc1N ZINC000307382639 352501569 /nfs/dbraw/zinc/50/15/69/352501569.db2.gz CDWWGMDXHAYMKG-UHFFFAOYSA-N 0 0 246.083 2.123 10 30 BEEERN C/C(=C\c1ccccc1)C[C@@H](C#N)C(N)=O ZINC000073200145 187754132 /nfs/dbraw/zinc/75/41/32/187754132.db2.gz WROOKDOEXDHWDK-PMDBQALLSA-N 0 0 214.268 2.105 10 30 BEEERN C=C(C)n1c2ccc(Cl)cc2[nH]c1=O ZINC000033506556 187754760 /nfs/dbraw/zinc/75/47/60/187754760.db2.gz OWJAPZDJSGKBNJ-UHFFFAOYSA-N 0 0 208.648 2.474 10 30 BEEERN CC(C)(C)C#CCC1(C=O)CCOCC1 ZINC000307571261 352657046 /nfs/dbraw/zinc/65/70/46/352657046.db2.gz XPPFRMCSNNZIJF-UHFFFAOYSA-N 0 0 208.301 2.422 10 30 BEEERN Cc1cnc(-c2ccc(C#N)cn2)nc1Cl ZINC000072204320 187771112 /nfs/dbraw/zinc/77/11/12/187771112.db2.gz FHDDHWYMQIFSBT-UHFFFAOYSA-N 0 0 230.658 2.372 10 30 BEEERN CCc1nc([C@@H]2OCC[C@@H]2C#N)cs1 ZINC000307514977 352631680 /nfs/dbraw/zinc/63/16/80/352631680.db2.gz PCYHHJFUMYQSCX-GMSGAONNSA-N 0 0 208.286 2.307 10 30 BEEERN C#CCN(C)c1ccc(N)cc1Br ZINC000307520529 352633775 /nfs/dbraw/zinc/63/37/75/352633775.db2.gz XUPCFZLSCSVLIZ-UHFFFAOYSA-N 0 0 239.116 2.101 10 30 BEEERN N#Cc1cnc(Br)c(OC(F)F)c1 ZINC000307632786 352723775 /nfs/dbraw/zinc/72/37/75/352723775.db2.gz MQUIQWYYCFRGCV-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN CC(C)COC(=O)N[C@H]1CCC[C@H]1C#N ZINC000061889306 187833684 /nfs/dbraw/zinc/83/36/84/187833684.db2.gz QNCOKMONSXFNQV-UWVGGRQHSA-N 0 0 210.277 2.061 10 30 BEEERN C=CCOc1ccc(NC(C)=O)cc1NC(C)=O ZINC000002012191 187875810 /nfs/dbraw/zinc/87/58/10/187875810.db2.gz KSNKVPBPDATKHR-UHFFFAOYSA-N 0 0 248.282 2.168 10 30 BEEERN C=CCCC(=O)NCCc1ccsc1 ZINC000049343488 187868883 /nfs/dbraw/zinc/86/88/83/187868883.db2.gz NQOBOHYDLCBGJE-UHFFFAOYSA-N 0 0 209.314 2.373 10 30 BEEERN CCCCCC[C@H](C#N)N1CCOCC1 ZINC000037357361 168677416 /nfs/dbraw/zinc/67/74/16/168677416.db2.gz ALWIVBYMBDGTOD-GFCCVEGCSA-N 0 0 210.321 2.181 10 30 BEEERN Cc1nc(CC(=O)C2=COCCC2)cs1 ZINC000160012324 352980732 /nfs/dbraw/zinc/98/07/32/352980732.db2.gz FLNHZOQGYFIVHE-UHFFFAOYSA-N 0 0 223.297 2.257 10 30 BEEERN CC[C@@H](S)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000306214541 352995673 /nfs/dbraw/zinc/99/56/73/352995673.db2.gz YXMAAIWCSHETOW-RKDXNWHRSA-N 0 0 215.362 2.390 10 30 BEEERN CSC(C)(C)C(=O)C1=COCCC1 ZINC000307163274 353058827 /nfs/dbraw/zinc/05/88/27/353058827.db2.gz LRFKSARYKDTXTH-UHFFFAOYSA-N 0 0 200.303 2.391 10 30 BEEERN Cc1cc(F)c(F)cc1OC[C@]1(C)CO1 ZINC000307102253 353054467 /nfs/dbraw/zinc/05/44/67/353054467.db2.gz BTASRKKYFZVYBM-LLVKDONJSA-N 0 0 214.211 2.441 10 30 BEEERN Cc1nccn1-c1nc(Cl)c(C#N)s1 ZINC000307716254 353108128 /nfs/dbraw/zinc/10/81/28/353108128.db2.gz KCIPVIFWXWXBBO-UHFFFAOYSA-N 0 0 224.676 2.162 10 30 BEEERN CC[C@H](S)C(=O)N1CCSC(C)(C)C1 ZINC000307705528 353086103 /nfs/dbraw/zinc/08/61/03/353086103.db2.gz YMJIMTVWFXBQHF-QMMMGPOBSA-N 0 0 233.402 2.049 10 30 BEEERN C[C@@H]1SCCS[C@@H]1C(=O)C1=COCCC1 ZINC000160030107 353100503 /nfs/dbraw/zinc/10/05/03/353100503.db2.gz NZZRZKSVERRVJS-KWQFWETISA-N 0 0 244.381 2.487 10 30 BEEERN C[C@H]1SCCS[C@@H]1C(=O)C1=COCCC1 ZINC000160029972 353100538 /nfs/dbraw/zinc/10/05/38/353100538.db2.gz NZZRZKSVERRVJS-KCJUWKMLSA-N 0 0 244.381 2.487 10 30 BEEERN C=CCN(CC=C)c1nnc2ccc(F)cn21 ZINC000215480881 353132523 /nfs/dbraw/zinc/13/25/23/353132523.db2.gz SIHJJFYJFASFLW-UHFFFAOYSA-N 0 0 232.262 2.047 10 30 BEEERN Cc1nsc(N2C[C@H]3CCC[C@@H]32)c1C#N ZINC000334473043 353118565 /nfs/dbraw/zinc/11/85/65/353118565.db2.gz IQVBJORNLXURJY-SCZZXKLOSA-N 0 0 219.313 2.312 10 30 BEEERN C=C[C@H](C)Nc1nc(Cl)nnc1Cl ZINC000229321506 353120042 /nfs/dbraw/zinc/12/00/42/353120042.db2.gz TZSVYLFHDGYCHG-BYPYZUCNSA-N 0 0 219.075 2.165 10 30 BEEERN O=C[C@]1([C@H]2CCSC2)CCCS1 ZINC000405272246 353155840 /nfs/dbraw/zinc/15/58/40/353155840.db2.gz VLGRWYPQOFUMQH-IUCAKERBSA-N 0 0 202.344 2.204 10 30 BEEERN N#CCCn1ccc(=O)c2cc(F)ccc21 ZINC000045923763 188084854 /nfs/dbraw/zinc/08/48/54/188084854.db2.gz GYPDIGILMXEXPI-UHFFFAOYSA-N 0 0 216.215 2.054 10 30 BEEERN C#CC[C@H](O)Cc1ccc(Br)cc1 ZINC000051074397 353173502 /nfs/dbraw/zinc/17/35/02/353173502.db2.gz KXLARSKHNOUVKA-NSHDSACASA-N 0 0 239.112 2.376 10 30 BEEERN N#CCc1cnc(-c2cccnc2)s1 ZINC000082415727 188097848 /nfs/dbraw/zinc/09/78/48/188097848.db2.gz WANGWSIECWHTKD-UHFFFAOYSA-N 0 0 201.254 2.271 10 30 BEEERN N#CCCSCC(=O)Nc1ccccc1F ZINC000058256283 188086705 /nfs/dbraw/zinc/08/67/05/188086705.db2.gz GIRZUFWHPDDOPK-UHFFFAOYSA-N 0 0 238.287 2.411 10 30 BEEERN N#Cc1csc(C(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000334142853 188110251 /nfs/dbraw/zinc/11/02/51/188110251.db2.gz OXKJHJVMVKIPPG-VHSXEESVSA-N 0 0 232.308 2.244 10 30 BEEERN N#C[C@]1(NC[C@@H]2CCCO2)CCc2ccccc21 ZINC000037940041 188116205 /nfs/dbraw/zinc/11/62/05/188116205.db2.gz DCHPMWGVEIDAMZ-DZGCQCFKSA-N 0 0 242.322 2.120 10 30 BEEERN CC(C)C[C@H](C#N)NC(=O)OC(C)(C)C ZINC000038325482 188116647 /nfs/dbraw/zinc/11/66/47/188116647.db2.gz ZTELWEIFTFYNJS-SECBINFHSA-N 0 0 212.293 2.449 10 30 BEEERN CC[C@@]1(c2cccc(C)c2)O[C@H]1C(=O)OC ZINC000309250816 538111005 /nfs/dbraw/zinc/11/10/05/538111005.db2.gz ZQRVJBIUYODNDP-AAEUAGOBSA-N 0 0 220.268 2.172 10 30 BEEERN C=CCN1CCO[C@@H](c2ccsc2)C1 ZINC000126003000 353219532 /nfs/dbraw/zinc/21/95/32/353219532.db2.gz SSRKLPVXACJXBH-LLVKDONJSA-N 0 0 209.314 2.307 10 30 BEEERN CCC[C@H](C#N)C(=O)N(CC)CC(F)(F)F ZINC000044827396 188123420 /nfs/dbraw/zinc/12/34/20/188123420.db2.gz DNSPXOOESXKCIA-MRVPVSSYSA-N 0 0 236.237 2.337 10 30 BEEERN CC(C)N(C)C(=O)[C@H](C#N)c1ccccc1 ZINC000061614087 188128214 /nfs/dbraw/zinc/12/82/14/188128214.db2.gz DNFWAADEEBWBBC-GFCCVEGCSA-N 0 0 216.284 2.161 10 30 BEEERN CSC1(CNC(=O)[C@@H]2CCCC(=O)N2)CC1 ZINC000329890057 538110652 /nfs/dbraw/zinc/11/06/52/538110652.db2.gz FNNWTOPAHIAQMZ-QMMMGPOBSA-N 0 0 242.344 2.348 10 30 BEEERN CCC[C@H](C#N)C(=O)Nc1ccncc1C ZINC000104345581 188151244 /nfs/dbraw/zinc/15/12/44/188151244.db2.gz MFCPHQUUKAMNPK-SNVBAGLBSA-N 0 0 217.272 2.268 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@H](C#N)C(C)C ZINC000044812714 188152797 /nfs/dbraw/zinc/15/27/97/188152797.db2.gz QSMUCKHZAODTDP-LLVKDONJSA-N 0 0 208.305 2.207 10 30 BEEERN CSCCCCNC(=O)C1(C#N)CCCC1 ZINC000126059622 353225113 /nfs/dbraw/zinc/22/51/13/353225113.db2.gz SELCGSOZHXNBBC-UHFFFAOYSA-N 0 0 240.372 2.330 10 30 BEEERN CC(C)COS(=O)(=O)c1ccccc1 ZINC000095803262 188147081 /nfs/dbraw/zinc/14/70/81/188147081.db2.gz NFRRFEFZKGNYKS-UHFFFAOYSA-N 0 0 214.286 2.048 10 30 BEEERN COc1ccc([C@H](C#N)NC2CC2)cc1 ZINC000020173448 188175505 /nfs/dbraw/zinc/17/55/05/188175505.db2.gz FZDQECCYKGBTCT-LBPRGKRZSA-N 0 0 202.257 2.012 10 30 BEEERN N#Cc1cnc(N2CCCCCC2)s1 ZINC000082418817 188177011 /nfs/dbraw/zinc/17/70/11/188177011.db2.gz KGIQHAYOAMPMRC-UHFFFAOYSA-N 0 0 207.302 2.395 10 30 BEEERN C#C[C@@H](C)Nc1ccncc1Br ZINC000160059121 353252570 /nfs/dbraw/zinc/25/25/70/353252570.db2.gz VVRLJJJBXIFMOZ-SSDOTTSWSA-N 0 0 225.089 2.278 10 30 BEEERN C=CC[C@H](NC(=O)OC(C)(C)C)OC ZINC000039091332 188177901 /nfs/dbraw/zinc/17/79/01/188177901.db2.gz SOGSVUMCZQLDPP-MRVPVSSYSA-N 0 0 201.266 2.060 10 30 BEEERN CN(C)c1ccc(C(=O)CCC#N)cc1 ZINC000033426759 188182146 /nfs/dbraw/zinc/18/21/46/188182146.db2.gz YEBAUYDVAIOSRC-UHFFFAOYSA-N 0 0 202.257 2.239 10 30 BEEERN COC(=O)C#Cc1sccc1Br ZINC000070835107 353261315 /nfs/dbraw/zinc/26/13/15/353261315.db2.gz YMCFJAYKHMSLBL-UHFFFAOYSA-N 0 0 245.097 2.035 10 30 BEEERN CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CO1 ZINC000135754574 188223600 /nfs/dbraw/zinc/22/36/00/188223600.db2.gz JPQROVHYTNFLRP-UWVGGRQHSA-N 0 0 229.320 2.325 10 30 BEEERN C/C(=N/O)c1ccc2nc(N)sc2c1 ZINC000100299663 188223844 /nfs/dbraw/zinc/22/38/44/188223844.db2.gz ZQTZTDPTMOJPDU-XGICHPGQSA-N 0 0 207.258 2.077 10 30 BEEERN C#C[C@@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000166887036 188224765 /nfs/dbraw/zinc/22/47/65/188224765.db2.gz FBEMRWCAUCTMCE-MRVPVSSYSA-N 0 0 220.228 2.037 10 30 BEEERN C#Cc1cccc(NC(=O)N[C@H]2C[C@H]2C)c1 ZINC000076033896 353331051 /nfs/dbraw/zinc/33/10/51/353331051.db2.gz DCHRHSYAHHJRFG-SKDRFNHKSA-N 0 0 214.268 2.198 10 30 BEEERN C#CCCCCNC(=O)c1ccc(C#N)cc1C ZINC000129948241 353328462 /nfs/dbraw/zinc/32/84/62/353328462.db2.gz RLPYWHZIWYPGOE-UHFFFAOYSA-N 0 0 240.306 2.400 10 30 BEEERN N#CCc1ccnc2cc(Br)cnc12 ZINC000130609006 353358674 /nfs/dbraw/zinc/35/86/74/353358674.db2.gz ZDKFHDCJPJUJAP-UHFFFAOYSA-N 0 0 248.083 2.458 10 30 BEEERN C#CC[C@H](CC)Nc1ncncc1Cl ZINC000163648861 353358710 /nfs/dbraw/zinc/35/87/10/353358710.db2.gz XCPGJQYQHAKSMT-QMMMGPOBSA-N 0 0 209.680 2.344 10 30 BEEERN C#CC[C@H](O)Cc1ccccc1Br ZINC000055335035 353353630 /nfs/dbraw/zinc/35/36/30/353353630.db2.gz HZYSDCIKQAPKLN-JTQLQIEISA-N 0 0 239.112 2.376 10 30 BEEERN CC(C)[C@H](S)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000232783385 353418648 /nfs/dbraw/zinc/41/86/48/353418648.db2.gz YMLLBUDGGAJMIN-UTLUCORTSA-N 0 0 215.362 2.198 10 30 BEEERN C=C(C)CSCc1nnc(C)n1CC ZINC000091030497 353399153 /nfs/dbraw/zinc/39/91/53/353399153.db2.gz NGMCTBIZKJIHGI-UHFFFAOYSA-N 0 0 211.334 2.416 10 30 BEEERN C[C@@H](C#N)Oc1cccc(N)c1Br ZINC000218879924 353491461 /nfs/dbraw/zinc/49/14/61/353491461.db2.gz WASYPDIPOBNAOJ-LURJTMIESA-N 0 0 241.088 2.322 10 30 BEEERN C#CC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134846272 353516804 /nfs/dbraw/zinc/51/68/04/353516804.db2.gz POPRGGBFFWMPFO-CQSZACIVSA-N 0 0 245.297 2.496 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)Cc1ccc(F)cc1 ZINC000061889191 353543458 /nfs/dbraw/zinc/54/34/58/353543458.db2.gz PHVYKEBFNSFLNV-DGCLKSJQSA-N 0 0 246.285 2.177 10 30 BEEERN C#Cc1ccccc1[Si](C)(C)c1ccccc1 ZINC000306120818 188416000 /nfs/dbraw/zinc/41/60/00/188416000.db2.gz UDRAEMJGTRBUKO-UHFFFAOYSA-N 0 0 236.390 2.491 10 30 BEEERN C#Cc1cccc(NC(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000191655593 353502416 /nfs/dbraw/zinc/50/24/16/353502416.db2.gz LBWWCQLUHUHFNT-BXUZGUMPSA-N 0 0 243.306 2.422 10 30 BEEERN CC#CCNC(=O)N[C@@H](C)c1ccccc1C ZINC000135968546 353609621 /nfs/dbraw/zinc/60/96/21/353609621.db2.gz OXVVMAFKKWTFLS-LBPRGKRZSA-N 0 0 230.311 2.379 10 30 BEEERN CC(C)N(CCC#N)C(=O)c1cccc(N)c1 ZINC000036798179 188468100 /nfs/dbraw/zinc/46/81/00/188468100.db2.gz JSLCGEDEPCUZRK-UHFFFAOYSA-N 0 0 231.299 2.033 10 30 BEEERN C=CCn1c(C)cc(C(=O)n2ccnc2)c1C ZINC000073711860 188470402 /nfs/dbraw/zinc/47/04/02/188470402.db2.gz DGMMKJWXNFLVCT-UHFFFAOYSA-N 0 0 229.283 2.176 10 30 BEEERN N#Cc1cc(NC[C@H]2CCCO2)ccc1F ZINC000051636882 188482362 /nfs/dbraw/zinc/48/23/62/188482362.db2.gz KPAJDQMCRBNIME-LLVKDONJSA-N 0 0 220.247 2.288 10 30 BEEERN Fc1ccccc1C=NNc1n[nH]c(=S)[nH]1 ZINC000006335736 181010860 /nfs/dbraw/zinc/01/08/60/181010860.db2.gz XESLKFWPCZBOEY-VZUCSPMQSA-N 0 0 237.263 2.052 10 30 BEEERN C/C(Cl)=N/S(=O)(=O)c1ccc(C)cc1 ZINC000101230361 188503493 /nfs/dbraw/zinc/50/34/93/188503493.db2.gz XRVVHEXJOALLIM-FLIBITNWSA-N 0 0 231.704 2.341 10 30 BEEERN N#CC1(Nc2cccc(F)c2)CCOCC1 ZINC000037937140 181030811 /nfs/dbraw/zinc/03/08/11/181030811.db2.gz HSCCOYWAYABFFW-UHFFFAOYSA-N 0 0 220.247 2.310 10 30 BEEERN N#CC1(Nc2ccccc2F)CCOCC1 ZINC000037939042 181030977 /nfs/dbraw/zinc/03/09/77/181030977.db2.gz QIUMAKYGRBMYCS-UHFFFAOYSA-N 0 0 220.247 2.310 10 30 BEEERN N#CC1(c2ccccc2)CCC(O)CC1 ZINC000072233088 181032008 /nfs/dbraw/zinc/03/20/08/181032008.db2.gz FJDFZHPXHLERAM-UHFFFAOYSA-N 0 0 201.269 2.383 10 30 BEEERN N#CCC(=O)CCOCc1ccccc1 ZINC000034362022 181033231 /nfs/dbraw/zinc/03/32/31/181033231.db2.gz LEXBKMRBNCBBHJ-UHFFFAOYSA-N 0 0 203.241 2.076 10 30 BEEERN N#CCC(=O)Cc1cccc(Br)c1 ZINC000041279672 181033583 /nfs/dbraw/zinc/03/35/83/181033583.db2.gz KWUNRJQFCIBLAU-UHFFFAOYSA-N 0 0 238.084 2.474 10 30 BEEERN N#CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037393494 181033945 /nfs/dbraw/zinc/03/39/45/181033945.db2.gz YRNPDNHCJQQZEC-UHFFFAOYSA-N 0 0 219.631 2.064 10 30 BEEERN N#CCCN(C(=O)c1cccc(F)c1)C1CC1 ZINC000042359299 181037433 /nfs/dbraw/zinc/03/74/33/181037433.db2.gz UKIHFXAGWKQWJO-UHFFFAOYSA-N 0 0 232.258 2.344 10 30 BEEERN C=C[C@]1(C)COC(CC)=C1C(=O)OCC ZINC000039101464 188535849 /nfs/dbraw/zinc/53/58/49/188535849.db2.gz YUJMVOSUHSQGDQ-GFCCVEGCSA-N 0 0 210.273 2.436 10 30 BEEERN C=CC(F)(F)[C@H](O)c1ccc(C#N)cc1 ZINC000039055475 188535861 /nfs/dbraw/zinc/53/58/61/188535861.db2.gz BMOULFUXLWZTBC-SNVBAGLBSA-N 0 0 209.195 2.413 10 30 BEEERN N#CCc1nc2ccccn2c1Br ZINC000027231924 181049401 /nfs/dbraw/zinc/04/94/01/181049401.db2.gz LVHBQMKKBTUEDR-UHFFFAOYSA-N 0 0 236.072 2.163 10 30 BEEERN N#CCc1nc2ccccc2n1C[C@@H]1CCCO1 ZINC000104339761 181050036 /nfs/dbraw/zinc/05/00/36/181050036.db2.gz SZIDPFBYANAQLZ-NSHDSACASA-N 0 0 241.294 2.281 10 30 BEEERN N#CCc1noc(Cc2ccccc2Cl)n1 ZINC000073641390 181051178 /nfs/dbraw/zinc/05/11/78/181051178.db2.gz ZFBOSNANXVQGQD-UHFFFAOYSA-N 0 0 233.658 2.380 10 30 BEEERN N#C[C@@H](NC[C@H]1CCCO1)C1CCCCC1 ZINC000037939916 181057575 /nfs/dbraw/zinc/05/75/75/181057575.db2.gz QOYXMSUKHOQTKA-CHWSQXEVSA-N 0 0 222.332 2.227 10 30 BEEERN C=C[C@@H](NC1CCC(CC)CC1)C(=O)OC ZINC000301013647 363294260 /nfs/dbraw/zinc/29/42/60/363294260.db2.gz HGCYYBZCGWLZQF-HTAVTVPLSA-N 0 0 225.332 2.272 10 30 BEEERN N#C[C@@H](C(=O)CC1CC1)c1ccc2c(c1)OCO2 ZINC000049730720 181054021 /nfs/dbraw/zinc/05/40/21/181054021.db2.gz LZXFDHBTDQAFQC-LLVKDONJSA-N 0 0 243.262 2.392 10 30 BEEERN N#C[C@@H](CCO)c1cccc(Br)c1 ZINC000049830009 181054026 /nfs/dbraw/zinc/05/40/26/181054026.db2.gz XPBIWJJENLJYJL-SECBINFHSA-N 0 0 240.100 2.439 10 30 BEEERN N#C[C@@H](CCO)c1c(F)cccc1Cl ZINC000049815484 181054554 /nfs/dbraw/zinc/05/45/54/181054554.db2.gz DHFCRURPVZQSTC-SSDOTTSWSA-N 0 0 213.639 2.469 10 30 BEEERN N#C[C@@H](N)CCSc1nc2ccccc2o1 ZINC000062455440 181055246 /nfs/dbraw/zinc/05/52/46/181055246.db2.gz FBLXWDSAZPCPKR-QMMMGPOBSA-N 0 0 233.296 2.161 10 30 BEEERN N#CCc1ccc(NC[C@H]2CCOC2)cc1 ZINC000037071498 181048496 /nfs/dbraw/zinc/04/84/96/181048496.db2.gz STCIVSPZTJOLNE-GFCCVEGCSA-N 0 0 216.284 2.201 10 30 BEEERN N#C[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000044808815 181063371 /nfs/dbraw/zinc/06/33/71/181063371.db2.gz YXGMXPOYBSLHRK-ZDUSSCGKSA-N 0 0 242.322 2.428 10 30 BEEERN N#C[C@H](CO)Cc1cc(Br)cs1 ZINC000063064189 181063664 /nfs/dbraw/zinc/06/36/64/181063664.db2.gz ITVPSWBSZJGYML-ZCFIWIBFSA-N 0 0 246.129 2.185 10 30 BEEERN N#C[C@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000040216139 181065158 /nfs/dbraw/zinc/06/51/58/181065158.db2.gz VAMOMNDIGKWTHW-ZDUSSCGKSA-N 0 0 237.262 2.076 10 30 BEEERN N#C[C@H](NC[C@@H]1CCCO1)c1ccccc1F ZINC000037940185 181065629 /nfs/dbraw/zinc/06/56/29/181065629.db2.gz ZWCDCHYJYFSLFK-GWCFXTLKSA-N 0 0 234.274 2.159 10 30 BEEERN N#C[C@H](NCc1ccccc1)[C@@H]1CCCOC1 ZINC000104318634 181065894 /nfs/dbraw/zinc/06/58/94/181065894.db2.gz ZZZNCGXBCJDYEM-KGLIPLIRSA-N 0 0 230.311 2.095 10 30 BEEERN N#C[C@H](Nc1ccccc1)[C@H]1CCOC1 ZINC000037935292 181066285 /nfs/dbraw/zinc/06/62/85/181066285.db2.gz HPQIGAKDKOJGIG-JQWIXIFHSA-N 0 0 202.257 2.027 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1Sc1nccc(=O)[nH]1 ZINC000037156308 181058724 /nfs/dbraw/zinc/05/87/24/181058724.db2.gz DBYVYFFILJMRHZ-IUCAKERBSA-N 0 0 235.312 2.357 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccccn1 ZINC000054824198 181059135 /nfs/dbraw/zinc/05/91/35/181059135.db2.gz KGJULSQCNKTWSC-AAEUAGOBSA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1F ZINC000061889266 181059827 /nfs/dbraw/zinc/05/98/27/181059827.db2.gz YEOHRPXXXQYERA-CABZTGNLSA-N 0 0 232.258 2.248 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1F ZINC000061889265 181060037 /nfs/dbraw/zinc/06/00/37/181060037.db2.gz YEOHRPXXXQYERA-JOYOIKCWSA-N 0 0 232.258 2.248 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(O)c1 ZINC000061891482 181061088 /nfs/dbraw/zinc/06/10/88/181061088.db2.gz PKEXJUSDNYQTCR-WCQYABFASA-N 0 0 216.284 2.174 10 30 BEEERN N#Cc1c2cc[nH]c2ncc1Br ZINC000085221936 181072905 /nfs/dbraw/zinc/07/29/05/181072905.db2.gz QWIBSCOXGQEKFH-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN N#Cc1c(Br)cncc1OC1CC1 ZINC000095734930 181072996 /nfs/dbraw/zinc/07/29/96/181072996.db2.gz FWSQFOMJSAXYDG-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1c(Cl)cc(Br)cc1CO ZINC000299889274 181074044 /nfs/dbraw/zinc/07/40/44/181074044.db2.gz GSSMZKNEYXFUMN-UHFFFAOYSA-N 0 0 246.491 2.466 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1Sc1nccc(=O)[nH]1 ZINC000037156304 181067766 /nfs/dbraw/zinc/06/77/66/181067766.db2.gz DBYVYFFILJMRHZ-BDAKNGLRSA-N 0 0 235.312 2.357 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NCc1ccccn1 ZINC000054824196 181068046 /nfs/dbraw/zinc/06/80/46/181068046.db2.gz KGJULSQCNKTWSC-YPMHNXCESA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NCc1ccccn1 ZINC000054824195 181068682 /nfs/dbraw/zinc/06/86/82/181068682.db2.gz KGJULSQCNKTWSC-DGCLKSJQSA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000054825510 181069191 /nfs/dbraw/zinc/06/91/91/181069191.db2.gz XWGXFAJJTQKKQI-YPMHNXCESA-N 0 0 245.282 2.377 10 30 BEEERN N#C[C@H]1CCC[C@H]1N[C@@H](CO)c1ccccc1 ZINC000063002155 181069474 /nfs/dbraw/zinc/06/94/74/181069474.db2.gz IPTYXMLZACANIQ-MCIONIFRSA-N 0 0 230.311 2.002 10 30 BEEERN N#CC1=C(N)CCN(Cc2ccccc2)C1 ZINC000011552433 181070365 /nfs/dbraw/zinc/07/03/65/181070365.db2.gz QSSWMSRTOGQASW-LBPRGKRZSA-N 0 0 213.284 2.052 10 30 BEEERN N#Cc1c(N)nccc1NC1CCCCC1 ZINC000033882458 181078320 /nfs/dbraw/zinc/07/83/20/181078320.db2.gz XQHDQWVSSVBRDQ-UHFFFAOYSA-N 0 0 216.288 2.280 10 30 BEEERN N#Cc1c([N+](=O)[O-])ccc2c1CCCC2 ZINC000091366336 181079032 /nfs/dbraw/zinc/07/90/32/181079032.db2.gz LPDXGVPORUOEES-UHFFFAOYSA-N 0 0 202.213 2.345 10 30 BEEERN N#Cc1cc(Cl)ccc1N[C@@H]1C[C@H]1CO ZINC000308908895 181086927 /nfs/dbraw/zinc/08/69/27/181086927.db2.gz RIROQXPZLBQDEU-GZMMTYOYSA-N 0 0 222.675 2.004 10 30 BEEERN N#Cc1cc(F)ccc1N[C@H]1CCCC[C@H]1O ZINC000111026843 181088090 /nfs/dbraw/zinc/08/80/90/181088090.db2.gz SFIFQJLKJUJALB-QWHCGFSZSA-N 0 0 234.274 2.413 10 30 BEEERN N#Cc1ccc(-c2cccc(CO)c2)cc1O ZINC000065341335 181094743 /nfs/dbraw/zinc/09/47/43/181094743.db2.gz UURMCWNDDVYBHO-UHFFFAOYSA-N 0 0 225.247 2.423 10 30 BEEERN N#Cc1cc(N)ccc1SC1CCOCC1 ZINC000062053864 181088967 /nfs/dbraw/zinc/08/89/67/181088967.db2.gz YYZIXRVFKFDDKS-UHFFFAOYSA-N 0 0 234.324 2.412 10 30 BEEERN N#Cc1cc(N)cnc1NCCc1ccsc1 ZINC000042599033 181089356 /nfs/dbraw/zinc/08/93/56/181089356.db2.gz PVMBTFRDTUICTA-UHFFFAOYSA-N 0 0 244.323 2.252 10 30 BEEERN N#Cc1cc(N)cnc1Nc1cccc(F)c1 ZINC000037758987 181090441 /nfs/dbraw/zinc/09/04/41/181090441.db2.gz FEKIUABBTHIZLS-UHFFFAOYSA-N 0 0 228.230 2.418 10 30 BEEERN N#Cc1ccc(-c2cnc(Cl)cn2)nc1 ZINC000072204342 181095663 /nfs/dbraw/zinc/09/56/63/181095663.db2.gz HXZWATJXBNXSQE-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#Cc1cc(OC2CC2)cc(Br)n1 ZINC000088190133 181091892 /nfs/dbraw/zinc/09/18/92/181091892.db2.gz ZCFUTFQXDVBFND-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1cc(Oc2cccc(N)c2)ccn1 ZINC000061812357 181092211 /nfs/dbraw/zinc/09/22/11/181092211.db2.gz DLJUDDKOMSFLHV-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1ccc(F)c(CN2CCC(=NO)CC2)c1 ZINC000019430610 181113140 /nfs/dbraw/zinc/11/31/40/181113140.db2.gz AYOHMTBIGAFHTL-UHFFFAOYSA-N 0 0 247.273 2.123 10 30 BEEERN N#Cc1ccc(NC(=O)CCOCC2CC2)cc1 ZINC000019870814 181117984 /nfs/dbraw/zinc/11/79/84/181117984.db2.gz UTGWXDHOVCNSRO-UHFFFAOYSA-N 0 0 244.294 2.313 10 30 BEEERN N#Cc1ccc(NC[C@H]2CCC[C@H]2O)cc1 ZINC000084233681 181123922 /nfs/dbraw/zinc/12/39/22/181123922.db2.gz LAQZMDGNVPUEJD-DGCLKSJQSA-N 0 0 216.284 2.131 10 30 BEEERN C[C@H]1SCC[C@@]1(O)c1cccc(C#N)c1 ZINC000521401564 259455731 /nfs/dbraw/zinc/45/57/31/259455731.db2.gz JBCFWRDTCPEFJB-SKDRFNHKSA-N 0 0 219.309 2.271 10 30 BEEERN N#Cc1ccc(Sc2ccncc2N)nc1 ZINC000050472085 181129655 /nfs/dbraw/zinc/12/96/55/181129655.db2.gz OKGSPBCGQMFBQN-UHFFFAOYSA-N 0 0 228.280 2.082 10 30 BEEERN N#Cc1cccc(NC[C@H]2CCCO2)c1 ZINC000020051409 181141454 /nfs/dbraw/zinc/14/14/54/181141454.db2.gz IJSKPCFNWRADBF-GFCCVEGCSA-N 0 0 202.257 2.149 10 30 BEEERN N#Cc1cccc(Nc2ncnc(Cl)c2N)c1 ZINC000062362500 181143089 /nfs/dbraw/zinc/14/30/89/181143089.db2.gz WSGHRCSSNTZWOU-UHFFFAOYSA-N 0 0 245.673 2.327 10 30 BEEERN N#Cc1cccc(Oc2ncc(N)cc2C#N)c1 ZINC000037759320 181143612 /nfs/dbraw/zinc/14/36/12/181143612.db2.gz UYKMDTXSDAORQP-UHFFFAOYSA-N 0 0 236.234 2.199 10 30 BEEERN N#Cc1ccccc1NC[C@H]1CCCO1 ZINC000020077260 181147838 /nfs/dbraw/zinc/14/78/38/181147838.db2.gz AHCAHPPCIDPLNC-LLVKDONJSA-N 0 0 202.257 2.149 10 30 BEEERN N#Cc1ccccc1NC1CCC(C(N)=O)CC1 ZINC000038092136 181148214 /nfs/dbraw/zinc/14/82/14/181148214.db2.gz KQVBGMWXFWTWGL-UHFFFAOYSA-N 0 0 243.310 2.014 10 30 BEEERN N#Cc1cccnc1N[C@@H]1COc2ccccc21 ZINC000070266446 181153501 /nfs/dbraw/zinc/15/35/01/181153501.db2.gz CHKHHPMOPMGAEP-GFCCVEGCSA-N 0 0 237.262 2.499 10 30 BEEERN N#CC#Cc1cc2c(s1)CCSC2 ZINC000161206925 363416084 /nfs/dbraw/zinc/41/60/84/363416084.db2.gz JYEFTYPEVNPUKA-UHFFFAOYSA-N 0 0 205.307 2.412 10 30 BEEERN N#CC1(C(=O)N2C[C@H]3CCC[C@@H]32)CCCC1 ZINC000335144400 354852139 /nfs/dbraw/zinc/85/21/39/354852139.db2.gz CZZAMSCDDOYAII-MNOVXSKESA-N 0 0 218.300 2.081 10 30 BEEERN N#Cc1ccnc(Oc2cc(F)ccc2N)c1 ZINC000036667229 181157803 /nfs/dbraw/zinc/15/78/03/181157803.db2.gz KRZKDFNPOGZFHD-UHFFFAOYSA-N 0 0 229.214 2.467 10 30 BEEERN N#Cc1cn2cc(-c3ccccc3)nc2cc1N ZINC000091690888 181161817 /nfs/dbraw/zinc/16/18/17/181161817.db2.gz UPOJUZJTPKPZJP-UHFFFAOYSA-N 0 0 234.262 2.455 10 30 BEEERN N#Cc1cnc(NCc2ccc(F)cc2)cn1 ZINC000106462085 181163079 /nfs/dbraw/zinc/16/30/79/181163079.db2.gz VLPXGKBXAJDCRQ-UHFFFAOYSA-N 0 0 228.230 2.099 10 30 BEEERN N#Cc1cnn(C2CCCCCC2)c1N ZINC000040928440 181164849 /nfs/dbraw/zinc/16/48/49/181164849.db2.gz CWEJJCAONCINLC-UHFFFAOYSA-N 0 0 204.277 2.232 10 30 BEEERN N#Cc1ncc(OC2CC2)cc1Br ZINC000095736550 181170843 /nfs/dbraw/zinc/17/08/43/181170843.db2.gz XTMQKJNIWRDQQR-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1nccnc1N1C[C@@H]2CCCCC[C@H]21 ZINC000374191120 181173981 /nfs/dbraw/zinc/17/39/81/181173981.db2.gz YCSHKUOYRCMFJX-CMPLNLGQSA-N 0 0 228.299 2.117 10 30 BEEERN N#Cc1nccnc1NCCC1CCCC1 ZINC000054377479 181174393 /nfs/dbraw/zinc/17/43/93/181174393.db2.gz QBNHMBHXCUTCFW-UHFFFAOYSA-N 0 0 216.288 2.340 10 30 BEEERN N/C(=N\O)c1cccnc1OCC1CCCCC1 ZINC000052154568 181181040 /nfs/dbraw/zinc/18/10/40/181181040.db2.gz MXXIMEROWKQKSG-UHFFFAOYSA-N 0 0 249.314 2.135 10 30 BEEERN N/C(=N\O)c1ccnc(Oc2ccccc2F)c1 ZINC000019485929 181181252 /nfs/dbraw/zinc/18/12/52/181181252.db2.gz GBZRMCSLDDGMKB-UHFFFAOYSA-N 0 0 247.229 2.108 10 30 BEEERN N/C(=N\O)c1cccc(COc2ccccc2)c1 ZINC000019434017 181180820 /nfs/dbraw/zinc/18/08/20/181180820.db2.gz PNNGZIBCAWYXIH-UHFFFAOYSA-N 0 0 242.278 2.360 10 30 BEEERN N/C(=N\O)c1cccnc1Oc1ccc(F)cc1 ZINC000019428483 181180961 /nfs/dbraw/zinc/18/09/61/181180961.db2.gz IFZOSQIVOKXHAQ-UHFFFAOYSA-N 0 0 247.229 2.108 10 30 BEEERN N/C(CCO[C@H]1CCCc2ccccc21)=N\O ZINC000019512910 181182619 /nfs/dbraw/zinc/18/26/19/181182619.db2.gz SQTUBSXOIZKOCT-LBPRGKRZSA-N 0 0 234.299 2.217 10 30 BEEERN C=CCN[C@H](C#N)c1ccc(F)c(C)c1 ZINC000051960276 166405500 /nfs/dbraw/zinc/40/55/00/166405500.db2.gz CYHJLEZINMJJEQ-GFCCVEGCSA-N 0 0 204.248 2.474 10 30 BEEERN N/N=C/c1nc(-c2ccccc2)n2ccccc12 ZINC000000576879 181185264 /nfs/dbraw/zinc/18/52/64/181185264.db2.gz VWBBJIWOZIAABV-MHWRWJLKSA-N 0 0 236.278 2.294 10 30 BEEERN CC(C)C[C@@H](C)NC(=O)c1cc(C#N)cn1C ZINC000121684103 191686752 /nfs/dbraw/zinc/68/67/52/191686752.db2.gz IFXYJXGZWITWCH-SNVBAGLBSA-N 0 0 233.315 2.061 10 30 BEEERN N#Cc1ncc2cc(-c3ccccc3)c(=O)[nH]c2n1 ZINC000168474394 355849611 /nfs/dbraw/zinc/84/96/11/355849611.db2.gz OJSJFUZTDZZZKR-UHFFFAOYSA-N 0 0 248.245 2.269 10 30 BEEERN CC1(NC(=O)N[C@H]2CCC[C@H]2C#N)CCCC1 ZINC000336030682 134058235 /nfs/dbraw/zinc/05/82/35/134058235.db2.gz SZDNKNXQYKIBCC-QWRGUYRKSA-N 0 0 235.331 2.311 10 30 BEEERN CC1(C)CCCN1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000336033233 134059277 /nfs/dbraw/zinc/05/92/77/134059277.db2.gz WBXRPHFXSALVKI-WDEREUQCSA-N 0 0 235.331 2.263 10 30 BEEERN CCc1cc(NC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000049138709 355917128 /nfs/dbraw/zinc/91/71/28/355917128.db2.gz IAIVDWPJXXNZEM-UHFFFAOYSA-N 0 0 240.266 2.096 10 30 BEEERN Cc1cnc(NC(=O)[C@H]2CC[C@H](C)O2)o1 ZINC000330110814 356172178 /nfs/dbraw/zinc/17/21/78/356172178.db2.gz QTNZVGPTFKCRGF-POYBYMJQSA-N 0 0 210.233 2.139 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCCC1(C)C ZINC000330187658 356180462 /nfs/dbraw/zinc/18/04/62/356180462.db2.gz KOLJKZHPCFCAIF-MXWKQRLJSA-N 0 0 240.347 2.246 10 30 BEEERN C=C[C@@H](C)Nc1ncncc1Br ZINC000130159668 358503947 /nfs/dbraw/zinc/50/39/47/358503947.db2.gz QTGSFSYKICDPFN-ZCFIWIBFSA-N 0 0 228.093 2.226 10 30 BEEERN C=C[C@H](C)Nc1ncncc1Br ZINC000130159425 358504037 /nfs/dbraw/zinc/50/40/37/358504037.db2.gz QTGSFSYKICDPFN-LURJTMIESA-N 0 0 228.093 2.226 10 30 BEEERN CCC1(C)CN(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000336508430 134148896 /nfs/dbraw/zinc/14/88/96/134148896.db2.gz HPKJDJPUQULVKM-MNOVXSKESA-N 0 0 235.331 2.120 10 30 BEEERN Cc1ccc2cc(C#N)c(=O)[nH]c2c1F ZINC000675068341 538496181 /nfs/dbraw/zinc/49/61/81/538496181.db2.gz XCWILQKHOXWDNI-UHFFFAOYSA-N 0 0 202.188 2.260 10 30 BEEERN C[C@H]1Cc2cnc(N)c(C#N)c2[C@@H](C)C1 ZINC000675063886 538490857 /nfs/dbraw/zinc/49/08/57/538490857.db2.gz RSTJBELHCXBMPR-SFYZADRCSA-N 0 0 201.273 2.221 10 30 BEEERN C[C@H]1Cc2cnc(N)c(C#N)c2[C@H](C)C1 ZINC000675063884 538490892 /nfs/dbraw/zinc/49/08/92/538490892.db2.gz RSTJBELHCXBMPR-HTQZYQBOSA-N 0 0 201.273 2.221 10 30 BEEERN COc1ccc(O)cc1C#CC(F)(F)F ZINC000675078724 538516136 /nfs/dbraw/zinc/51/61/36/538516136.db2.gz JZYSDJPXKIIJPQ-UHFFFAOYSA-N 0 0 216.158 2.315 10 30 BEEERN C#Cc1ccccc1NS(=O)(=O)CCCC ZINC000675078683 538516604 /nfs/dbraw/zinc/51/66/04/538516604.db2.gz ISDPCSVZRKEMRX-UHFFFAOYSA-N 0 0 237.324 2.210 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@]12CC[C@@H](C)C2 ZINC000220828139 538547482 /nfs/dbraw/zinc/54/74/82/538547482.db2.gz MOMXZDBPXYHREO-USWWRNFRSA-N 0 0 212.289 2.287 10 30 BEEERN CC[C@H](C)[C@@]1(C)O[C@@]1(C(=O)OC)C(C)C ZINC000086182457 538550368 /nfs/dbraw/zinc/55/03/68/538550368.db2.gz LWDLMQLNCWMTLN-MVWJERBFSA-N 0 0 214.305 2.389 10 30 BEEERN CC[C@@]1(C(C)C)O[C@@]1(C(=O)OC)C(C)C ZINC000086182493 538550709 /nfs/dbraw/zinc/55/07/09/538550709.db2.gz ATEYVCSQGYCGIW-NWDGAFQWSA-N 0 0 214.305 2.389 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@]12CC[C@H](C)C2 ZINC000086166164 538551693 /nfs/dbraw/zinc/55/16/93/538551693.db2.gz MOMXZDBPXYHREO-DLOVCJGASA-N 0 0 212.289 2.287 10 30 BEEERN COC(=O)[C@]1(C(C)C)O[C@]1(C)CC(C)C ZINC000086182680 538551891 /nfs/dbraw/zinc/55/18/91/538551891.db2.gz ABDZCMMYFTYHAQ-NEPJUHHUSA-N 0 0 214.305 2.389 10 30 BEEERN COC(=O)[C@]1(C(C)C)O[C@]1(C)C(C)(C)C ZINC000086182589 538552245 /nfs/dbraw/zinc/55/22/45/538552245.db2.gz GJRQKWPXWMYEMQ-NEPJUHHUSA-N 0 0 214.305 2.389 10 30 BEEERN COC(=O)[C@]1(C(C)C)O[C@@]1(C)C(C)(C)C ZINC000086182593 538552808 /nfs/dbraw/zinc/55/28/08/538552808.db2.gz GJRQKWPXWMYEMQ-RYUDHWBXSA-N 0 0 214.305 2.389 10 30 BEEERN N#Cc1ccc(-c2nnc(C3CC3)o2)cc1 ZINC000675082667 538523970 /nfs/dbraw/zinc/52/39/70/538523970.db2.gz UXOWZEOQNJSQGO-UHFFFAOYSA-N 0 0 211.224 2.486 10 30 BEEERN CCC[C@@]1(C2CCCC2)O[C@H]1C(=O)OC ZINC000313416528 538579162 /nfs/dbraw/zinc/57/91/62/538579162.db2.gz LUXAKWWBOTXMII-JQWIXIFHSA-N 0 0 212.289 2.287 10 30 BEEERN CCC[C@]1(C2CCCC2)O[C@H]1C(=O)OC ZINC000313416526 538579420 /nfs/dbraw/zinc/57/94/20/538579420.db2.gz LUXAKWWBOTXMII-CMPLNLGQSA-N 0 0 212.289 2.287 10 30 BEEERN CCc1nn([C@@H](C#N)CC)c(CC)c1N ZINC000132667669 538600794 /nfs/dbraw/zinc/60/07/94/538600794.db2.gz DIHGMLHMAYWWOZ-MRVPVSSYSA-N 0 0 206.293 2.065 10 30 BEEERN C=CCNC(=O)N[C@@H](CC)c1nccs1 ZINC000121624557 356836264 /nfs/dbraw/zinc/83/62/64/356836264.db2.gz JDFHUMXVNPWWED-QMMMGPOBSA-N 0 0 225.317 2.079 10 30 BEEERN C=CC(=O)[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300032464 357174077 /nfs/dbraw/zinc/17/40/77/357174077.db2.gz VNCXKYHESMVFRD-ZKWXMUAHSA-N 0 0 202.344 2.367 10 30 BEEERN CCc1nn(C)cc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000168709689 357192609 /nfs/dbraw/zinc/19/26/09/357192609.db2.gz TYBTUNSVDRBGAN-BXUZGUMPSA-N 0 0 246.358 2.154 10 30 BEEERN C[C@H](CC#N)n1cc(Br)cn1 ZINC000026547506 357175334 /nfs/dbraw/zinc/17/53/34/357175334.db2.gz ZXJCEGCEWIBDAM-ZCFIWIBFSA-N 0 0 214.066 2.120 10 30 BEEERN C#CC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000160708605 357185115 /nfs/dbraw/zinc/18/51/15/357185115.db2.gz UZYIXSTYUHKDRY-QMMMGPOBSA-N 0 0 208.644 2.310 10 30 BEEERN C=CCC1(C(=O)N[C@@H](C)[C@@H]2CCCO2)CCC1 ZINC000188597256 357542559 /nfs/dbraw/zinc/54/25/59/357542559.db2.gz ZVLKRLLFYJDJKG-RYUDHWBXSA-N 0 0 237.343 2.417 10 30 BEEERN CCCn1cc(CN[C@H]2CCC[C@@H]2C#N)cn1 ZINC000230686626 357550028 /nfs/dbraw/zinc/55/00/28/357550028.db2.gz QPFGOZWQJWOQNF-OLZOCXBDSA-N 0 0 232.331 2.075 10 30 BEEERN CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ncc(C)o1 ZINC000231744832 357623706 /nfs/dbraw/zinc/62/37/06/357623706.db2.gz YWKWLAFVNPSYFT-CABZTGNLSA-N 0 0 235.287 2.100 10 30 BEEERN Cc1nc(CN[C@H]2CCC[C@@H]2C#N)oc1C ZINC000231655014 357616097 /nfs/dbraw/zinc/61/60/97/357616097.db2.gz DJMRPEKAUOJDCZ-MNOVXSKESA-N 0 0 219.288 2.073 10 30 BEEERN CC(C)(C)OC(=O)N1C[C@H](C=O)C2(CCC2)C1 ZINC000685945595 538887406 /nfs/dbraw/zinc/88/74/06/538887406.db2.gz CKAGOARDBBIMIJ-SNVBAGLBSA-N 0 0 239.315 2.223 10 30 BEEERN C#CC[C@H](NN)c1ccc(F)cc1Cl ZINC000169017990 358009089 /nfs/dbraw/zinc/00/90/89/358009089.db2.gz XCFBVAPVUHFMEF-JTQLQIEISA-N 0 0 212.655 2.007 10 30 BEEERN C=C[C@H](O)c1ccc(C(F)(F)F)cn1 ZINC000160743615 358226305 /nfs/dbraw/zinc/22/63/05/358226305.db2.gz MWWNAOIACVREQM-QMMMGPOBSA-N 0 0 203.163 2.320 10 30 BEEERN C=C[C@@H](O)c1ccc(C(F)(F)F)cn1 ZINC000160743734 358226576 /nfs/dbraw/zinc/22/65/76/358226576.db2.gz MWWNAOIACVREQM-MRVPVSSYSA-N 0 0 203.163 2.320 10 30 BEEERN C=C1CN(c2ccc(Br)cc2)C1=O ZINC000584613513 358277906 /nfs/dbraw/zinc/27/79/06/358277906.db2.gz VRAKVDIOJHCJSM-UHFFFAOYSA-N 0 0 238.084 2.352 10 30 BEEERN OCc1ccc(C#Cc2ccc(CO)cc2)cc1 ZINC000584595778 358253088 /nfs/dbraw/zinc/25/30/88/358253088.db2.gz RTXVVHMNRAUUPK-UHFFFAOYSA-N 0 0 238.286 2.071 10 30 BEEERN C#C[C@](O)(c1ccccc1)C1(C#N)CCC1 ZINC000584600693 358257577 /nfs/dbraw/zinc/25/75/77/358257577.db2.gz WZMTWXXVTWXZGP-AWEZNQCLSA-N 0 0 211.264 2.201 10 30 BEEERN CC(=NCCCCc1ccccc1)NC#N ZINC000584602019 358259413 /nfs/dbraw/zinc/25/94/13/358259413.db2.gz XGTNGXZHXCWDAN-UHFFFAOYSA-N 0 0 215.300 2.498 10 30 BEEERN CCOC(=O)C([N+]#N)=C([O-])c1cccs1 ZINC000584603092 358261329 /nfs/dbraw/zinc/26/13/29/358261329.db2.gz LODLGBKBUQBGDT-UHFFFAOYSA-O 0 0 225.249 2.391 10 30 BEEERN CC(=O)c1cccc(C#CCCCO)c1 ZINC000584603870 358262697 /nfs/dbraw/zinc/26/26/97/358262697.db2.gz RBRJAWRYEWIYCN-UHFFFAOYSA-N 0 0 202.253 2.013 10 30 BEEERN CCOS(=O)(=O)CCCCC(F)(F)F ZINC000584604516 358263167 /nfs/dbraw/zinc/26/31/67/358263167.db2.gz LGZRTYFHPZZLJF-UHFFFAOYSA-N 0 0 234.239 2.085 10 30 BEEERN C[C@@H](CO)C[C@@](C)(O)CC#C[Si](C)(C)C ZINC000584608721 358269054 /nfs/dbraw/zinc/26/90/54/358269054.db2.gz OKPDIVXPSWWOHI-NEPJUHHUSA-N 0 0 228.408 2.027 10 30 BEEERN C[C@H](C=O)[C@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000584608781 358269337 /nfs/dbraw/zinc/26/93/37/358269337.db2.gz IWVQLVQMYNWJKN-KCJUWKMLSA-N 0 0 225.219 2.021 10 30 BEEERN O=C(C=CNc1ccncc1)c1cccs1 ZINC000584609809 358271776 /nfs/dbraw/zinc/27/17/76/358271776.db2.gz YBQJQEDPYPIFPG-VMPITWQZSA-N 0 0 230.292 2.374 10 30 BEEERN C=C(CC[C@H](O)C[N+](=O)[O-])c1ccccc1 ZINC000584620302 358287471 /nfs/dbraw/zinc/28/74/71/358287471.db2.gz DTPUTGCXIREWCC-LBPRGKRZSA-N 0 0 221.256 2.118 10 30 BEEERN C[Si](C)(C)C#CCc1ccc(CO)o1 ZINC000584622296 358290214 /nfs/dbraw/zinc/29/02/14/358290214.db2.gz GKQVIORSVQLQLG-UHFFFAOYSA-N 0 0 208.333 2.195 10 30 BEEERN C#Cc1c(C)c(OC)c(OC)cc1OC ZINC000584625341 358293992 /nfs/dbraw/zinc/29/39/92/358293992.db2.gz RKMBSLQSYQRZBZ-UHFFFAOYSA-N 0 0 206.241 2.002 10 30 BEEERN CCC(CC)=NOC(C)(C(C)=O)C(C)=O ZINC000584631571 358313700 /nfs/dbraw/zinc/31/37/00/358313700.db2.gz RQQLZFVNRKNDSS-UHFFFAOYSA-N 0 0 213.277 2.116 10 30 BEEERN C[C@@](O)(C#C[Si](C)(C)C)c1nccs1 ZINC000584630439 358300278 /nfs/dbraw/zinc/30/02/78/358300278.db2.gz ZDZUQIJARABRSJ-SNVBAGLBSA-N 0 0 225.389 2.231 10 30 BEEERN C/C(=N\O)c1ccccc1[Si](C)(C)C ZINC000584649916 358304592 /nfs/dbraw/zinc/30/45/92/358304592.db2.gz ZLTAQAQCPQXWLZ-FMIVXFBMSA-N 0 0 207.349 2.430 10 30 BEEERN C=CCOc1cccc(OC)c1OC[C@H]1CO1 ZINC000584650830 358305711 /nfs/dbraw/zinc/30/57/11/358305711.db2.gz BRFDUHLGKJZIMI-SNVBAGLBSA-N 0 0 236.267 2.038 10 30 BEEERN N#Cc1c(F)c(F)c(F)c(F)c1[N+](=O)[O-] ZINC000584657081 358308780 /nfs/dbraw/zinc/30/87/80/358308780.db2.gz GDUNKSMRBPJDGB-UHFFFAOYSA-N 0 0 220.081 2.023 10 30 BEEERN CO/C(Cl)=N/c1nc(Cl)nc(Cl)n1 ZINC000584659552 358311294 /nfs/dbraw/zinc/31/12/94/358311294.db2.gz QPULIXDNCLBPPZ-UUILKARUSA-N 0 0 241.465 2.051 10 30 BEEERN CC1=C[C@]2(C)N=NN3CCC[C@](C)(C1=O)[C@H]32 ZINC000584659913 358311934 /nfs/dbraw/zinc/31/19/34/358311934.db2.gz ZMUQRYGLFZPZCX-TUAOUCFPSA-N 0 0 219.288 2.126 10 30 BEEERN CO/N=C/[C@@H]1CCc2c1ccc(OC)c2OC ZINC000584618602 358284913 /nfs/dbraw/zinc/28/49/13/358284913.db2.gz PVKSZAOUPHDGBE-PFMRQGHBSA-N 0 0 235.283 2.366 10 30 BEEERN COc1ccc2[nH]cc([C@H](C#N)C(C)=O)c2c1 ZINC000584618777 358284925 /nfs/dbraw/zinc/28/49/25/358284925.db2.gz PGSHFJFZZOMQJJ-LLVKDONJSA-N 0 0 228.251 2.373 10 30 BEEERN C/C(CCCOC(=O)C(C)(C)C)=N\O ZINC000584634505 358318431 /nfs/dbraw/zinc/31/84/31/358318431.db2.gz JEQVACDPLTWVJP-DHZHZOJOSA-N 0 0 201.266 2.206 10 30 BEEERN C=CCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000584635998 358320577 /nfs/dbraw/zinc/32/05/77/358320577.db2.gz HAJVKWXJQWAWLH-UHFFFAOYSA-N 0 0 221.212 2.214 10 30 BEEERN N#Cc1cc2cc(F)ccc2n1-c1ncccn1 ZINC000584638282 358324013 /nfs/dbraw/zinc/32/40/13/358324013.db2.gz KVECBHJZLROISS-UHFFFAOYSA-N 0 0 238.225 2.431 10 30 BEEERN C#C[C@H]1CN=C(c2ccc(C(F)(F)F)cc2)O1 ZINC000584638345 358324147 /nfs/dbraw/zinc/32/41/47/358324147.db2.gz OAUYHMNDHWVFPJ-JTQLQIEISA-N 0 0 239.196 2.484 10 30 BEEERN CC(C)(COC[C@H]1CO1)OCc1ccccc1 ZINC000226027542 358333062 /nfs/dbraw/zinc/33/30/62/358333062.db2.gz KQWIYUYWQYCQEC-ZDUSSCGKSA-N 0 0 236.311 2.397 10 30 BEEERN N#CC(=O)Cc1cccc(Br)c1 ZINC000584642587 358327913 /nfs/dbraw/zinc/32/79/13/358327913.db2.gz PEUACDJJLHHMSW-UHFFFAOYSA-N 0 0 224.057 2.084 10 30 BEEERN C=C(C)CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000127492845 358563433 /nfs/dbraw/zinc/56/34/33/358563433.db2.gz DUNKOKSCWCCYLI-AWEZNQCLSA-N 0 0 233.311 2.342 10 30 BEEERN CC(C)[C@H](S)C(=O)N1C[C@H](C)C[C@H]1C ZINC000300226618 358570500 /nfs/dbraw/zinc/57/05/00/358570500.db2.gz YMLLBUDGGAJMIN-BBBLOLIVSA-N 0 0 215.362 2.198 10 30 BEEERN C=CCOc1ccc(C(=O)N2CCCO2)cc1 ZINC000125350573 358538248 /nfs/dbraw/zinc/53/82/48/358538248.db2.gz FXWAVBLRBYLNND-UHFFFAOYSA-N 0 0 233.267 2.029 10 30 BEEERN Cn1ccnc1CNc1ccc(CC#N)cc1 ZINC000049899949 358704220 /nfs/dbraw/zinc/70/42/20/358704220.db2.gz PSCXJWMITDHDFB-UHFFFAOYSA-N 0 0 226.283 2.098 10 30 BEEERN C=CCCC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000133372141 358752359 /nfs/dbraw/zinc/75/23/59/358752359.db2.gz XXNLJNCIKOQNRT-CYBMUJFWSA-N 0 0 249.310 2.454 10 30 BEEERN CCc1cnc(CN[C@@H]2CCC[C@H]2C#N)s1 ZINC000132443865 358722977 /nfs/dbraw/zinc/72/29/77/358722977.db2.gz AKBIMBBVDFWJGD-GXSJLCMTSA-N 0 0 235.356 2.487 10 30 BEEERN CC1(C)CCC[C@@H]1NC(=O)C#CBr ZINC000306150510 358872690 /nfs/dbraw/zinc/87/26/90/358872690.db2.gz CSUFPXNEKXPRJC-QMMMGPOBSA-N 0 0 244.132 2.037 10 30 BEEERN O=C(C#Cc1ccccc1)[C@@H]1CCSC1 ZINC000306153295 358919365 /nfs/dbraw/zinc/91/93/65/358919365.db2.gz AODQXKGRKZYUNO-GFCCVEGCSA-N 0 0 216.305 2.360 10 30 BEEERN CC(=O)C[C@@H]1CCCCCN1[C@@H](C)C#N ZINC000224232459 358969852 /nfs/dbraw/zinc/96/98/52/358969852.db2.gz UZDBMTUUSQPVDN-JQWIXIFHSA-N 0 0 208.305 2.122 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1cnn2ccccc12 ZINC000071373563 359078225 /nfs/dbraw/zinc/07/82/25/359078225.db2.gz CDDNGUFDZYOADU-AAEUAGOBSA-N 0 0 240.310 2.116 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1cnn2ccccc12 ZINC000071373561 359078570 /nfs/dbraw/zinc/07/85/70/359078570.db2.gz CDDNGUFDZYOADU-WCQYABFASA-N 0 0 240.310 2.116 10 30 BEEERN CO[C@H](C=O)c1cccc(Cl)c1F ZINC000306249391 359447942 /nfs/dbraw/zinc/44/79/42/359447942.db2.gz WEQDFNFXOQBUOF-MRVPVSSYSA-N 0 0 202.612 2.366 10 30 BEEERN CO[C@H](C=O)c1cc(Cl)ccc1F ZINC000306296186 359540557 /nfs/dbraw/zinc/54/05/57/359540557.db2.gz BZLWJQUTIXVTAU-SECBINFHSA-N 0 0 202.612 2.366 10 30 BEEERN C=CC(=O)Cc1coc(Br)c1 ZINC000306319064 359601504 /nfs/dbraw/zinc/60/15/04/359601504.db2.gz INBKMOLMRJHYGO-UHFFFAOYSA-N 0 0 215.046 2.340 10 30 BEEERN N/N=C/c1c[nH]c2cccc(Br)c12 ZINC000306360992 359698055 /nfs/dbraw/zinc/69/80/55/359698055.db2.gz NTVQALOFYLWKRZ-WLRTZDKTSA-N 0 0 238.088 2.223 10 30 BEEERN CC[C@@](C)(C#N)c1ncc(Br)cn1 ZINC000306381905 359732291 /nfs/dbraw/zinc/73/22/91/359732291.db2.gz YFJUTEAYZTXPKN-VIFPVBQESA-N 0 0 240.104 2.430 10 30 BEEERN C=C[C@@H](NN)c1ccc(Cl)cc1F ZINC000169202638 359775126 /nfs/dbraw/zinc/77/51/26/359775126.db2.gz QSSNFTPVCFBCBV-SECBINFHSA-N 0 0 200.644 2.170 10 30 BEEERN N#Cc1cc(F)c(N)c(OC(F)(F)F)c1 ZINC000396144716 359808235 /nfs/dbraw/zinc/80/82/35/359808235.db2.gz PXHLYMWXHQOIDE-UHFFFAOYSA-N 0 0 220.125 2.178 10 30 BEEERN C#CC(=O)c1ccc(F)c(Br)c1 ZINC000169231871 359827947 /nfs/dbraw/zinc/82/79/47/359827947.db2.gz LMPHENWDWZIENV-UHFFFAOYSA-N 0 0 227.032 2.404 10 30 BEEERN CCC#C[C@H](C)N[C@H](C)c1ncc(C)o1 ZINC000309157073 491145736 /nfs/dbraw/zinc/14/57/36/491145736.db2.gz XSXWCKCJAZJTFL-GXSJLCMTSA-N 0 0 206.289 2.436 10 30 BEEERN CCOC(=O)CC[C@H](C)Nc1ccc(C#N)nc1 ZINC000089652116 360032455 /nfs/dbraw/zinc/03/24/55/360032455.db2.gz OBOHQJHNVKSFNY-JTQLQIEISA-N 0 0 247.298 2.097 10 30 BEEERN CC(C)(C)NC(=NN)c1csc(Cl)c1 ZINC000306460723 360075194 /nfs/dbraw/zinc/07/51/94/360075194.db2.gz FNBJRZXIFMITIQ-UHFFFAOYSA-N 0 0 231.752 2.410 10 30 BEEERN Cc1nn(CC(F)(F)F)c(Cl)c1C#N ZINC000306468085 360080857 /nfs/dbraw/zinc/08/08/57/360080857.db2.gz RNNKJAYKIABRSP-UHFFFAOYSA-N 0 0 223.585 2.279 10 30 BEEERN Cc1nnsc1CC1(C#N)CCCC1 ZINC000306469204 360084292 /nfs/dbraw/zinc/08/42/92/360084292.db2.gz PBAOQGQMHVLJDO-UHFFFAOYSA-N 0 0 207.302 2.473 10 30 BEEERN CCCN(CC#N)C[C@H]1Cc2ccccc2O1 ZINC000090874875 360091088 /nfs/dbraw/zinc/09/10/88/360091088.db2.gz YINBAJNIBPERLD-CYBMUJFWSA-N 0 0 230.311 2.226 10 30 BEEERN C[C@@H](C#N)CN(C)C[C@@H]1Cc2ccccc2O1 ZINC000090874865 360091317 /nfs/dbraw/zinc/09/13/17/360091317.db2.gz XCRLRNJEOOAAGY-AAEUAGOBSA-N 0 0 230.311 2.082 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccncc1Cl ZINC000091449845 360115800 /nfs/dbraw/zinc/11/58/00/360115800.db2.gz HTKQQPXJJCJBAV-KCJUWKMLSA-N 0 0 249.701 2.157 10 30 BEEERN N#Cc1cc(OC(F)F)c(F)cc1F ZINC000306565929 360444651 /nfs/dbraw/zinc/44/46/51/360444651.db2.gz YBRTWXMUKUYVST-UHFFFAOYSA-N 0 0 205.110 2.438 10 30 BEEERN c1nn(Cc2ccccc2)cc1[C@@H]1CO1 ZINC000306565795 360445239 /nfs/dbraw/zinc/44/52/39/360445239.db2.gz RSGDBBCNDQMSGI-LBPRGKRZSA-N 0 0 200.241 2.003 10 30 BEEERN C[C@@](C#N)(CO)Nc1cccc(Cl)c1 ZINC000306543221 360411456 /nfs/dbraw/zinc/41/14/56/360411456.db2.gz RYDQBVKJLFGKFG-SNVBAGLBSA-N 0 0 210.664 2.026 10 30 BEEERN Cc1nnc([C@@]2(C#N)CCCS2)s1 ZINC000306543091 360411594 /nfs/dbraw/zinc/41/15/94/360411594.db2.gz ZTIWMDQATZPMEK-QMMMGPOBSA-N 0 0 211.315 2.092 10 30 BEEERN CC(C)(C)C#CC[C@@H](O)c1csnn1 ZINC000300731753 360423894 /nfs/dbraw/zinc/42/38/94/360423894.db2.gz FUOCWVYXIRVCBE-SECBINFHSA-N 0 0 210.302 2.011 10 30 BEEERN CC#C[C@H](O)c1csc(C(C)(C)C)n1 ZINC000306551381 360424704 /nfs/dbraw/zinc/42/47/04/360424704.db2.gz ALQSPMAATKRXRW-VIFPVBQESA-N 0 0 209.314 2.497 10 30 BEEERN CN(O)C(=O)c1ccc(F)c(Br)c1 ZINC000306573446 360463112 /nfs/dbraw/zinc/46/31/12/360463112.db2.gz IEGJNCRICZMEFE-UHFFFAOYSA-N 0 0 248.051 2.049 10 30 BEEERN CN(O)C(=O)c1ccc(Br)cc1F ZINC000306575888 360464942 /nfs/dbraw/zinc/46/49/42/360464942.db2.gz JZNMGPRBJJVFRT-UHFFFAOYSA-N 0 0 248.051 2.049 10 30 BEEERN C#C[C@@H](C)Oc1cc(Cl)nc(Cl)n1 ZINC000306592690 360511256 /nfs/dbraw/zinc/51/12/56/360511256.db2.gz DEEDXYFTGPTBBG-RXMQYKEDSA-N 0 0 217.055 2.184 10 30 BEEERN COc1cncc(CC#N)c1OC(F)(F)F ZINC000381091637 360628563 /nfs/dbraw/zinc/62/85/63/360628563.db2.gz VHSHJJAUQKXRIP-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN Cc1ccc(OC(F)(F)F)nc1C#N ZINC000238463451 361086810 /nfs/dbraw/zinc/08/68/10/361086810.db2.gz JRPGTPYCBIVTMP-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN Cc1cc(CC#N)cnc1OC(F)(F)F ZINC000238470479 361087930 /nfs/dbraw/zinc/08/79/30/361087930.db2.gz GSILVQUVYAUPJI-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1cnc(CC#N)cc1OC(F)(F)F ZINC000238516979 361134180 /nfs/dbraw/zinc/13/41/80/361134180.db2.gz GDSVHKFUFAODOA-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN O=C(/C=C/c1ccc(Cl)cc1)[C@H]1CO1 ZINC000238558596 361149614 /nfs/dbraw/zinc/14/96/14/361149614.db2.gz XZGZRMQUEIRVPN-ZXCPCRMDSA-N 0 0 208.644 2.321 10 30 BEEERN Cc1cc(N)c(CC#N)cc1Br ZINC000238558366 361150420 /nfs/dbraw/zinc/15/04/20/361150420.db2.gz WKSQPUMJAFYUTG-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN N#CCc1nccc(F)c1OC(F)(F)F ZINC000238573417 361157800 /nfs/dbraw/zinc/15/78/00/361157800.db2.gz UZFKCIPRDBGHEZ-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#Cc1nccc(OC(F)(F)F)c1CF ZINC000238688373 361178695 /nfs/dbraw/zinc/17/86/95/361178695.db2.gz XNVUHMASUINKBW-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN [NH3+]C/C(=N/[O-])c1ccc(Cl)cc1Cl ZINC000013111327 181325006 /nfs/dbraw/zinc/32/50/06/181325006.db2.gz WZMBYOQGGHDOSI-WQLSENKSSA-N 0 0 219.071 2.130 10 30 BEEERN N#Cc1cccc(N[C@@H]2CCC[C@@H]2C#N)n1 ZINC000381402704 361393952 /nfs/dbraw/zinc/39/39/52/361393952.db2.gz AUXVAVRXXGLHBN-MWLCHTKSSA-N 0 0 212.256 2.057 10 30 BEEERN COc1cc(CC#N)c(OC(F)(F)F)cn1 ZINC000381595998 361497985 /nfs/dbraw/zinc/49/79/85/361497985.db2.gz FMYHVRFRFVJKEK-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN C=CC(=O)Nc1cc(C#N)cc(F)c1C ZINC000037013113 361592260 /nfs/dbraw/zinc/59/22/60/361592260.db2.gz COOUJJMXZRXVIH-UHFFFAOYSA-N 0 0 204.204 2.130 10 30 BEEERN C[Si](C)(C)C#CS(=O)(=O)c1ccccc1 ZINC000195799799 361709663 /nfs/dbraw/zinc/70/96/63/361709663.db2.gz ZOGJODMBBGQEMR-UHFFFAOYSA-N 0 0 238.384 2.299 10 30 BEEERN COC(=O)[C@@H]1O[C@@]1(C)Cc1ccc(Cl)cc1 ZINC000234566520 541311501 /nfs/dbraw/zinc/31/15/01/541311501.db2.gz LBBFPADPEZWVQU-JQWIXIFHSA-N 0 0 240.686 2.213 10 30 BEEERN C=C[C@](C)(CC)C(=O)Nc1cnc(N(C)C)nc1 ZINC000135143580 364430622 /nfs/dbraw/zinc/43/06/22/364430622.db2.gz LTZXEFCOZWRDMY-CYBMUJFWSA-N 0 0 248.330 2.083 10 30 BEEERN CC[C@@H]1CCCC(=NNC(N)=S)CC1 ZINC000252664617 364755857 /nfs/dbraw/zinc/75/58/57/364755857.db2.gz FGWATPSDOSIXNJ-MRVPVSSYSA-N 0 0 213.350 2.166 10 30 BEEERN O=C(NCC1CC(F)(F)C1)[C@@H]1CCCC(=O)N1 ZINC000329195997 541403746 /nfs/dbraw/zinc/40/37/46/541403746.db2.gz VPDVUWPCZGDDEB-QMMMGPOBSA-N 0 0 246.257 2.497 10 30 BEEERN C=CCc1ccc(S(C)(=O)=O)cc1Cl ZINC000667946054 541433734 /nfs/dbraw/zinc/43/37/34/541433734.db2.gz DCXFSZXJYWMEHI-UHFFFAOYSA-N 0 0 230.716 2.472 10 30 BEEERN CC(C)(C#N)CCCCn1cc(N)cn1 ZINC000232527812 541504629 /nfs/dbraw/zinc/50/46/29/541504629.db2.gz NOQJQYXKETYQAN-UHFFFAOYSA-N 0 0 206.293 2.185 10 30 BEEERN CCC[C@]1(CC)O[C@]1(Cl)C(=O)OC ZINC000233367349 541508305 /nfs/dbraw/zinc/50/83/05/541508305.db2.gz PCMYRFXUIQXSTJ-DTWKUNHWSA-N 0 0 206.669 2.074 10 30 BEEERN CC[C@@]1(c2ccccc2)O[C@]1(Cl)C(=O)OC ZINC000233975240 541510126 /nfs/dbraw/zinc/51/01/26/541510126.db2.gz NTHUOTJJYXDDHW-NWDGAFQWSA-N 0 0 240.686 2.430 10 30 BEEERN CCCCCCCCOC(=O)[C@@H](C)N ZINC000104192759 368288127 /nfs/dbraw/zinc/28/81/27/368288127.db2.gz SRWADIQTOZZKAT-SNVBAGLBSA-N 0 0 201.310 2.237 10 30 BEEERN CCN(CC)c1nc2ncccc2cc1C#N ZINC000034452833 368374311 /nfs/dbraw/zinc/37/43/11/368374311.db2.gz SQHJZKQGLMOMEA-UHFFFAOYSA-N 0 0 226.283 2.348 10 30 BEEERN C=CC[C@@H](O)[C@]1(C)CCCCC12OCCO2 ZINC000048523849 368377461 /nfs/dbraw/zinc/37/74/61/368377461.db2.gz CTJKROZXDAXMTB-NEPJUHHUSA-N 0 0 226.316 2.247 10 30 BEEERN C=CCOc1cc(C(C)=O)nc(C(C)=O)c1 ZINC000218329274 368415386 /nfs/dbraw/zinc/41/53/86/368415386.db2.gz IYHKTJHDLOYFFX-UHFFFAOYSA-N 0 0 219.240 2.052 10 30 BEEERN C#C[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 ZINC000226072487 368418444 /nfs/dbraw/zinc/41/84/44/368418444.db2.gz BOPXAKHOTACLSF-SNVBAGLBSA-N 0 0 239.315 2.034 10 30 BEEERN COc1cc(Br)c(C)nc1C#N ZINC000214923034 368401930 /nfs/dbraw/zinc/40/19/30/368401930.db2.gz KLVZQPVERXKZJL-UHFFFAOYSA-N 0 0 227.061 2.033 10 30 BEEERN C=C(C(=O)OC)[C@H](O)CCCCCC ZINC000038325285 368409548 /nfs/dbraw/zinc/40/95/48/368409548.db2.gz LHBFJRKVQGSQOV-SNVBAGLBSA-N 0 0 200.278 2.047 10 30 BEEERN CCCCN(C)c1cc(C)ccc1/C(N)=N/O ZINC000051578821 168786722 /nfs/dbraw/zinc/78/67/22/168786722.db2.gz YOAWDLNUQJHVDG-UHFFFAOYSA-N 0 0 235.331 2.326 10 30 BEEERN CCN(CC)C(=O)c1ccccc1C#N ZINC000082270509 368662025 /nfs/dbraw/zinc/66/20/25/368662025.db2.gz XOMKANZUMUDGKF-UHFFFAOYSA-N 0 0 202.257 2.040 10 30 BEEERN Cc1ccc(C(=O)/C=N/N2CCCC2)cc1 ZINC000002013408 368734704 /nfs/dbraw/zinc/73/47/04/368734704.db2.gz MOBDBLHEYROYRS-GXDHUFHOSA-N 0 0 216.284 2.259 10 30 BEEERN COC(=O)CCCC#Cc1cccc(C#N)c1 ZINC000090514214 368987187 /nfs/dbraw/zinc/98/71/87/368987187.db2.gz ZPKFYXVNJZQHLK-UHFFFAOYSA-N 0 0 227.263 2.253 10 30 BEEERN CC(=O)/N=c1/oc(C)c(C#N)c2ccccc21 ZINC000000335972 369381530 /nfs/dbraw/zinc/38/15/30/369381530.db2.gz MBPUQAHSFIIQRP-FYWRMAATSA-N 0 0 226.235 2.060 10 30 BEEERN C[C@H]1CCC[C@H]1C(=O)NCC(C)(C)C#N ZINC000230176756 369431495 /nfs/dbraw/zinc/43/14/95/369431495.db2.gz YHFWOBAJYRSIHX-VHSXEESVSA-N 0 0 208.305 2.089 10 30 BEEERN N#Cc1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000250004155 369482941 /nfs/dbraw/zinc/48/29/41/369482941.db2.gz RTNYRELMGSAFMC-BTTYYORXSA-N 0 0 240.306 2.221 10 30 BEEERN N#CC1(C(=O)Nc2cnoc2)CCCCC1 ZINC000060393485 369479055 /nfs/dbraw/zinc/47/90/55/369479055.db2.gz XBOVCHJMXYWYJN-UHFFFAOYSA-N 0 0 219.244 2.087 10 30 BEEERN Cc1cc(C#N)cc(N2C[C@H]3CCC[C@@H]32)n1 ZINC000601120891 369593054 /nfs/dbraw/zinc/59/30/54/369593054.db2.gz LPWHNLIDNVDWCH-NEPJUHHUSA-N 0 0 213.284 2.250 10 30 BEEERN CC(C)Cc1[nH]nc(C2CCOCC2)c1C#N ZINC000409442030 369978124 /nfs/dbraw/zinc/97/81/24/369978124.db2.gz WCXOQNZQVAYMRT-UHFFFAOYSA-N 0 0 233.315 2.374 10 30 BEEERN C=CS(=O)(=O)c1cc(Cl)ccc1C#N ZINC000062785722 370096358 /nfs/dbraw/zinc/09/63/58/370096358.db2.gz LQTYCLRDRIVTAB-UHFFFAOYSA-N 0 0 227.672 2.129 10 30 BEEERN CCc1cc(CC#N)c(OC)c(OC)c1 ZINC000215266901 370384948 /nfs/dbraw/zinc/38/49/48/370384948.db2.gz BZSMKXNFEOFOMH-UHFFFAOYSA-N 0 0 205.257 2.332 10 30 BEEERN O=[N+]([O-])c1ccc(Cl)cc1/C=N/O ZINC000002529969 370587458 /nfs/dbraw/zinc/58/74/58/370587458.db2.gz UDAXAATUAUDQCX-RUDMXATFSA-N 0 0 200.581 2.056 10 30 BEEERN C#CC[C@@H](CC)N1C(=O)c2ccccc2C1=O ZINC000130995208 370624902 /nfs/dbraw/zinc/62/49/02/370624902.db2.gz AESNXMGTDXCSEY-SNVBAGLBSA-N 0 0 227.263 2.085 10 30 BEEERN C=CCCC(=O)Nc1ccnc(Cl)n1 ZINC000161794193 371277202 /nfs/dbraw/zinc/27/72/02/371277202.db2.gz NHQGUUDSNIYCHV-UHFFFAOYSA-N 0 0 211.652 2.035 10 30 BEEERN Cc1nnc(CN[C@@H]2CCCC[C@@H]2C#N)s1 ZINC000391957688 371353135 /nfs/dbraw/zinc/35/31/35/371353135.db2.gz JQDMPHYQGCWDFU-NXEZZACHSA-N 0 0 236.344 2.019 10 30 BEEERN Cc1nnc(CN[C@H]2CCCC[C@@H]2C#N)s1 ZINC000391957695 371353411 /nfs/dbraw/zinc/35/34/11/371353411.db2.gz JQDMPHYQGCWDFU-ZJUUUORDSA-N 0 0 236.344 2.019 10 30 BEEERN Cc1cc(NC2CCC(O)CC2)c(C#N)c(C)n1 ZINC000156537558 371442567 /nfs/dbraw/zinc/44/25/67/371442567.db2.gz HIMAIYUCPMAKHR-UHFFFAOYSA-N 0 0 245.326 2.286 10 30 BEEERN N#Cc1cccc(N[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000131190862 371567253 /nfs/dbraw/zinc/56/72/53/371567253.db2.gz SXVHLRKCAGMQJG-JTQLQIEISA-N 0 0 247.254 2.057 10 30 BEEERN Cc1nccn1-c1cc(C#N)cc(Cl)n1 ZINC000215554128 371580203 /nfs/dbraw/zinc/58/02/03/371580203.db2.gz OIYGCMGFGCZYSH-UHFFFAOYSA-N 0 0 218.647 2.101 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC000131463865 371608271 /nfs/dbraw/zinc/60/82/71/371608271.db2.gz PUSWRKQTMSMBJR-GXSJLCMTSA-N 0 0 221.329 2.315 10 30 BEEERN C#C[C@@H](CC)Nc1nnc(Br)s1 ZINC000230020931 371636846 /nfs/dbraw/zinc/63/68/46/371636846.db2.gz YGRKHCBUKZIKCZ-YFKPBYRVSA-N 0 0 246.133 2.124 10 30 BEEERN Cc1cnc([C@@H](C)NC(=O)C2(C#N)CC(C)C2)o1 ZINC000226614000 371706345 /nfs/dbraw/zinc/70/63/45/371706345.db2.gz RCZHFWMAKWZTNI-MDGUTJNFSA-N 0 0 247.298 2.100 10 30 BEEERN COc1cc2nc(C)sc2c(C#N)c1N ZINC000131853320 371698832 /nfs/dbraw/zinc/69/88/32/371698832.db2.gz QAYJSQBBMJMAIO-UHFFFAOYSA-N 0 0 219.269 2.067 10 30 BEEERN N#CCc1c(Br)ccc(O)c1F ZINC000216658719 371787459 /nfs/dbraw/zinc/78/74/59/371787459.db2.gz FHTDMBFMVIOVBG-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN C[C@@H](C#N)Oc1ccc(Br)nc1 ZINC000230301666 371889408 /nfs/dbraw/zinc/88/94/08/371889408.db2.gz FEBYBKXLNMFILA-LURJTMIESA-N 0 0 227.061 2.135 10 30 BEEERN C#CCOc1cc(Br)cc(C#N)c1 ZINC000227634678 371911399 /nfs/dbraw/zinc/91/13/99/371911399.db2.gz QTGBOXPZPPZFIV-UHFFFAOYSA-N 0 0 236.068 2.333 10 30 BEEERN N#C[C@@]1(c2ccccc2Cl)C[C@H]1CO ZINC000132787355 371923709 /nfs/dbraw/zinc/92/37/09/371923709.db2.gz HHYHOHBDMRZURY-KWQFWETISA-N 0 0 207.660 2.114 10 30 BEEERN CC(C)(C)N/N=C/c1ccccc1[N+](=O)[O-] ZINC000003255085 371932110 /nfs/dbraw/zinc/93/21/10/371932110.db2.gz MXKIMGIJUKBKDE-XYOKQWHBSA-N 0 0 221.260 2.317 10 30 BEEERN C=CC(=O)c1ncccc1Br ZINC000133048553 371979002 /nfs/dbraw/zinc/97/90/02/371979002.db2.gz FHSASHUJDJHLHG-UHFFFAOYSA-N 0 0 212.046 2.213 10 30 BEEERN C=C(C)C(=O)[C@H]1SCCS[C@H]1C ZINC000228079838 371986153 /nfs/dbraw/zinc/98/61/53/371986153.db2.gz NKNQRYNQQOCBFS-CBAPKCEASA-N 0 0 202.344 2.369 10 30 BEEERN O=C[C@H]1CC[C@@H](c2occc2Br)O1 ZINC000306147681 371988581 /nfs/dbraw/zinc/98/85/81/371988581.db2.gz AOCHTNAWXUSZEP-SVRRBLITSA-N 0 0 245.072 2.461 10 30 BEEERN Cc1cc(Br)cc(C(=O)N(C)O)c1 ZINC000306581283 372040143 /nfs/dbraw/zinc/04/01/43/372040143.db2.gz ONWRASIOYKEXQZ-UHFFFAOYSA-N 0 0 244.088 2.219 10 30 BEEERN CC[C@H]1C[C@@H]1Nc1nc(C)ccc1C#N ZINC000231629801 372064929 /nfs/dbraw/zinc/06/49/29/372064929.db2.gz AZJDKYCJYRWSGF-ONGXEEELSA-N 0 0 201.273 2.472 10 30 BEEERN COC(=O)c1cc(C#N)c(Cl)cc1F ZINC000307181032 372094659 /nfs/dbraw/zinc/09/46/59/372094659.db2.gz QOAZHIZFNRWKGO-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN CC[C@](C)(C#N)[C@@H](O)c1cnc(C)s1 ZINC000307611757 372132149 /nfs/dbraw/zinc/13/21/49/372132149.db2.gz JQRAFBLNWGYYCR-VHSXEESVSA-N 0 0 210.302 2.425 10 30 BEEERN C#CC(C)(C)Nc1cc(C)nc(Cl)n1 ZINC000229303002 372139361 /nfs/dbraw/zinc/13/93/61/372139361.db2.gz JUWOXOVSDLFXAY-UHFFFAOYSA-N 0 0 209.680 2.262 10 30 BEEERN C#CC(C)(C)Nc1nc(Cl)ncc1C ZINC000229304164 372139775 /nfs/dbraw/zinc/13/97/75/372139775.db2.gz FDMKEECBUNEZET-UHFFFAOYSA-N 0 0 209.680 2.262 10 30 BEEERN C#CC(C)(C)Nc1nsnc1Cl ZINC000229304056 372139866 /nfs/dbraw/zinc/13/98/66/372139866.db2.gz YHYXEUSRTIGYGX-UHFFFAOYSA-N 0 0 201.682 2.015 10 30 BEEERN Cc1cc(Br)cc(N)c1C#N ZINC000140226206 372533711 /nfs/dbraw/zinc/53/37/11/372533711.db2.gz SDBDPKMBWZFWOM-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN CCOc1ccc(C#N)c(F)c1OCC ZINC000039099626 372865221 /nfs/dbraw/zinc/86/52/21/372865221.db2.gz JZMHDSPRSZACFN-UHFFFAOYSA-N 0 0 209.220 2.495 10 30 BEEERN O=C(CS)Nc1nccc(-c2ccccc2)n1 ZINC000072416776 182006289 /nfs/dbraw/zinc/00/62/89/182006289.db2.gz HSVKARWHHQBKHO-UHFFFAOYSA-N 0 0 245.307 2.012 10 30 BEEERN COc1c(C)c(C=O)c(OC)c(C)c1C#N ZINC000039110059 372871699 /nfs/dbraw/zinc/87/16/99/372871699.db2.gz VWKRVTVLOZFFKU-UHFFFAOYSA-N 0 0 219.240 2.005 10 30 BEEERN O=C(CSc1ccc2ccccc2c1)NO ZINC000028357674 182009325 /nfs/dbraw/zinc/00/93/25/182009325.db2.gz GNDJOJQVOFQQBM-UHFFFAOYSA-N 0 0 233.292 2.437 10 30 in-vivo BEEERN CSc1c(C#N)c(=O)[nH]c2c1CCCC2 ZINC000039188420 372893296 /nfs/dbraw/zinc/89/32/96/372893296.db2.gz INLMUTQTXGLFRN-UHFFFAOYSA-N 0 0 220.297 2.260 10 30 BEEERN COc1nccc(CC#N)c1OC(F)(F)F ZINC000381097759 373850261 /nfs/dbraw/zinc/85/02/61/373850261.db2.gz XCMIHQONWARTEQ-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN C[C@H](NC(=O)CS)c1ccc(Cl)cc1 ZINC000071783346 374291852 /nfs/dbraw/zinc/29/18/52/374291852.db2.gz MNMFWLWSQZPWDM-ZETCQYMHSA-N 0 0 229.732 2.447 10 30 BEEERN O=CCOc1ccc(Br)cc1 ZINC000019776782 182851365 /nfs/dbraw/zinc/85/13/65/182851365.db2.gz MPXSERZVGZXMNE-UHFFFAOYSA-N 0 0 215.046 2.027 10 30 BEEERN OCCC#Cc1ccccc1COC1CCC1 ZINC000050521149 183042318 /nfs/dbraw/zinc/04/23/18/183042318.db2.gz AFSNCJONVQTLKF-UHFFFAOYSA-N 0 0 230.307 2.490 10 30 BEEERN CCCC[C@H](C)NC(=O)[C@H](C#N)C(C)C ZINC000050889312 168990111 /nfs/dbraw/zinc/99/01/11/168990111.db2.gz NVMQFVQZWURJHO-WDEREUQCSA-N 0 0 210.321 2.477 10 30 BEEERN CCCN(CC(F)(F)F)c1nccnc1C#N ZINC000054379417 169107342 /nfs/dbraw/zinc/10/73/42/169107342.db2.gz OXJAFKHZHLBIRK-UHFFFAOYSA-N 0 0 244.220 2.127 10 30 BEEERN CCCN(c1ncc(N)cc1C#N)C(C)C ZINC000037759045 169183475 /nfs/dbraw/zinc/18/34/75/169183475.db2.gz BJUFDTSDPKQPRY-UHFFFAOYSA-N 0 0 218.304 2.160 10 30 BEEERN CCCN[C@@H](C#N)c1cc(OC)ccc1OC ZINC000020175846 169273112 /nfs/dbraw/zinc/27/31/12/169273112.db2.gz IOMZDGBHTDWFCE-LBPRGKRZSA-N 0 0 234.299 2.268 10 30 BEEERN CCCN[C@@H](C#N)CCOc1cccc(OC)c1 ZINC000062445839 169273601 /nfs/dbraw/zinc/27/36/01/169273601.db2.gz XPKXHEUOBQULIP-GFCCVEGCSA-N 0 0 248.326 2.356 10 30 BEEERN CCCN[C@@H](C#N)c1cccc(OC)c1 ZINC000020173255 169273688 /nfs/dbraw/zinc/27/36/88/169273688.db2.gz QTFNDHLMROYYTA-LBPRGKRZSA-N 0 0 204.273 2.259 10 30 BEEERN CCCOCCOCCOc1ccc(C#N)cc1 ZINC000111108763 169310241 /nfs/dbraw/zinc/31/02/41/169310241.db2.gz DKPRAXRMRXVCGY-UHFFFAOYSA-N 0 0 249.310 2.380 10 30 BEEERN CCCN[C@](C)(C#N)CCOCCOCCC ZINC000104248698 169292639 /nfs/dbraw/zinc/29/26/39/169292639.db2.gz HEXFBHGBEGREBF-ZDUSSCGKSA-N 0 0 242.363 2.102 10 30 BEEERN CCC[C@@H](C#N)N1C(=O)C[C@](C)(C(C)C)C1=O ZINC000040222370 169342946 /nfs/dbraw/zinc/34/29/46/169342946.db2.gz GZLXVBCWAIQJPW-GXFFZTMASA-N 0 0 236.315 2.100 10 30 BEEERN CCCc1cc(N(CC)CCC#N)ncn1 ZINC000042454620 169565146 /nfs/dbraw/zinc/56/51/46/169565146.db2.gz CYKOYJOMGDZYEW-UHFFFAOYSA-N 0 0 218.304 2.169 10 30 BEEERN CCCc1cccc(-n2ncc(C#N)c2N)c1 ZINC000090423918 169576701 /nfs/dbraw/zinc/57/67/01/169576701.db2.gz QOEJAQDFFHDMBX-UHFFFAOYSA-N 0 0 226.283 2.279 10 30 BEEERN CCCCCCCC(=O)N[C@@H](CO)C(C)C ZINC000060176357 1172591503 /nfs/dbraw/zinc/59/15/03/1172591503.db2.gz YOUZYPAIFOEGMH-LBPRGKRZSA-N 0 0 229.364 2.480 10 30 BEEERN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C#N ZINC000068592076 384002113 /nfs/dbraw/zinc/00/21/13/384002113.db2.gz DFZYOAIWAGMKET-IUCAKERBSA-N 0 0 240.303 2.270 10 30 BEEERN C=CC[C@@H](C)NC(=O)CCc1ccccc1O ZINC000116863085 383952228 /nfs/dbraw/zinc/95/22/28/383952228.db2.gz HLSTVIVUERVUKG-LLVKDONJSA-N 0 0 233.311 2.406 10 30 BEEERN COC(=O)c1ccc([C@@H](C)CC=O)cc1 ZINC000039117772 384105794 /nfs/dbraw/zinc/10/57/94/384105794.db2.gz VDYPHDVJASDKFN-VIFPVBQESA-N 0 0 206.241 2.166 10 30 BEEERN CC(=O)Nc1ccc2c(c1)CC[C@H]2C#N ZINC000091297223 384115847 /nfs/dbraw/zinc/11/58/47/384115847.db2.gz ZTDQCWDBVCALBE-JTQLQIEISA-N 0 0 200.241 2.198 10 30 BEEERN CO/N=C/C1=CCCN(C(=O)OC(C)(C)C)C1 ZINC000038817609 384094812 /nfs/dbraw/zinc/09/48/12/384094812.db2.gz FJYFGNNSEKKZRT-MDWZMJQESA-N 0 0 240.303 2.186 10 30 BEEERN N#CC1(NC(=O)Cc2ccsc2)CCCC1 ZINC000040216322 384131228 /nfs/dbraw/zinc/13/12/28/384131228.db2.gz ZOUDHSVTTKDALU-UHFFFAOYSA-N 0 0 234.324 2.243 10 30 BEEERN C=C(Cl)CNc1ccc(C#N)c(N)c1 ZINC000135536828 384171879 /nfs/dbraw/zinc/17/18/79/384171879.db2.gz NXTFEDNYEYHPNZ-UHFFFAOYSA-N 0 0 207.664 2.305 10 30 BEEERN C=C(Cl)CNc1ccc(N)c(C#N)c1 ZINC000135536878 384171488 /nfs/dbraw/zinc/17/14/88/384171488.db2.gz SPODZVUXYTZPIH-UHFFFAOYSA-N 0 0 207.664 2.305 10 30 BEEERN C#CCCN1C(=O)CCc2ccc(F)cc21 ZINC000104363753 533044346 /nfs/dbraw/zinc/04/43/46/533044346.db2.gz VATFONMEFAQKML-UHFFFAOYSA-N 0 0 217.243 2.128 10 30 BEEERN C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@H](O)CCC(=C)[C@@H]3C[C@H]12 ZINC000004900009 384199784 /nfs/dbraw/zinc/19/97/84/384199784.db2.gz GAUPAOVCTWBVKC-WPLOAARJSA-N 0 0 248.322 2.211 10 30 biogenic BEEERN CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCCO1 ZINC000042338131 384213719 /nfs/dbraw/zinc/21/37/19/384213719.db2.gz GISDEDRKBVZEED-ZDUSSCGKSA-N 0 0 248.301 2.308 10 30 BEEERN CN(Cc1ccccc1C#N)C[C@@H]1CCCO1 ZINC000042338127 384215146 /nfs/dbraw/zinc/21/51/46/384215146.db2.gz QJZCBPYJGWSDAP-AWEZNQCLSA-N 0 0 230.311 2.169 10 30 BEEERN CCC=C1C(=O)c2ccccc2C(=O)C1=O ZINC000018207417 384331260 /nfs/dbraw/zinc/33/12/60/384331260.db2.gz SOHLFUWDNFUZAK-GORDUTHDSA-N 0 0 214.220 2.454 10 30 BEEERN CN(C)c1ccc(/C=C\C(=O)c2ncc[nH]2)cc1 ZINC000095934433 384413383 /nfs/dbraw/zinc/41/33/83/384413383.db2.gz YRVSGNSAQKCGLH-YVMONPNESA-N 0 0 241.294 2.372 10 30 BEEERN Cc1c(C=O)cc(CC#N)cc1OC(F)F ZINC000575661178 384415181 /nfs/dbraw/zinc/41/51/81/384415181.db2.gz GYJKMMRKZAIDHH-UHFFFAOYSA-N 0 0 225.194 2.475 10 30 BEEERN COc1cc(OC(F)F)cc(C=O)c1CC#N ZINC000575662149 384420361 /nfs/dbraw/zinc/42/03/61/384420361.db2.gz YFWKXQFTTUABHG-UHFFFAOYSA-N 0 0 241.193 2.175 10 30 BEEERN CC(=O)c1nc2cc(C#N)ccc2s1 ZINC000045237413 384383588 /nfs/dbraw/zinc/38/35/88/384383588.db2.gz VGMWZVSWZJCJAK-UHFFFAOYSA-N 0 0 202.238 2.371 10 30 BEEERN C[C@@H]1O[C@@H]1Oc1ccc2ncsc2c1 ZINC000045237600 384384168 /nfs/dbraw/zinc/38/41/68/384384168.db2.gz GUYYYXDUVWQCID-QUBYGPBYSA-N 0 0 207.254 2.420 10 30 BEEERN CCOc1cc(OC(F)F)c(O)cc1CC#N ZINC000575657841 384390139 /nfs/dbraw/zinc/39/01/39/384390139.db2.gz WJBYLEUAQPCVPB-UHFFFAOYSA-N 0 0 243.209 2.458 10 30 BEEERN CCCC1(CNc2cnc(C#N)cn2)CC1 ZINC000127116312 384453544 /nfs/dbraw/zinc/45/35/44/384453544.db2.gz PBKLFCIJKGOGQW-UHFFFAOYSA-N 0 0 216.288 2.340 10 30 BEEERN [N-]=[N+]=Nc1cccc(Cl)c1-c1nn[nH]n1 ZINC000047844166 384467799 /nfs/dbraw/zinc/46/77/99/384467799.db2.gz NCDDDDHHUCILSM-UHFFFAOYSA-N 0 0 221.611 2.462 10 30 BEEERN Cc1cc(NC[C@H](C)CCO)c(C#N)c(C)n1 ZINC000157456527 384478451 /nfs/dbraw/zinc/47/84/51/384478451.db2.gz MBDAGHBCMXTKGP-SECBINFHSA-N 0 0 233.315 2.001 10 30 BEEERN O=C[C@@]12CC=CC[C@H]1[C@@H]1CC=CC[C@@H]1O2 ZINC000017313303 384485016 /nfs/dbraw/zinc/48/50/16/384485016.db2.gz XNYGOEGATLFFOX-CYDGBPFRSA-N 0 0 204.269 2.255 10 30 BEEERN N#CCC(=O)c1ccc(OC(F)F)cc1 ZINC000019472210 384524748 /nfs/dbraw/zinc/52/47/48/384524748.db2.gz JDPFZHZAERTCDV-UHFFFAOYSA-N 0 0 211.167 2.384 10 30 BEEERN C[C@@H](Nc1cnc(C#N)cn1)c1ccco1 ZINC000070581209 384586126 /nfs/dbraw/zinc/58/61/26/384586126.db2.gz SPCNSEZAICMTTR-MRVPVSSYSA-N 0 0 214.228 2.114 10 30 BEEERN CC(C)(C)OC(=O)N1CCC(/C=N\O)CC1 ZINC000100132862 384618632 /nfs/dbraw/zinc/61/86/32/384618632.db2.gz JPPSCYURIXEGIG-WQLSENKSSA-N 0 0 228.292 2.094 10 30 BEEERN C[C@H]1CSC[C@@]1(O)c1ccccc1C#N ZINC000521401033 384628603 /nfs/dbraw/zinc/62/86/03/384628603.db2.gz FAHGZSSLVMXUKO-CABZTGNLSA-N 0 0 219.309 2.129 10 30 BEEERN CC(C)(C)OC(=O)NCC1(C=O)CCCC1 ZINC000098096009 384594479 /nfs/dbraw/zinc/59/44/79/384594479.db2.gz WWLURTGEXDWBKA-UHFFFAOYSA-N 0 0 227.304 2.270 10 30 BEEERN COc1ccc(OC)c([C@@H](C)NCCC#N)c1 ZINC000020199691 384595606 /nfs/dbraw/zinc/59/56/06/384595606.db2.gz UMCHMNODCNTDEP-SNVBAGLBSA-N 0 0 234.299 2.268 10 30 BEEERN CCOC[C@H](C)NC(=O)C1(C#N)CCCCC1 ZINC000044413853 384654138 /nfs/dbraw/zinc/65/41/38/384654138.db2.gz CNNFVAPYKGFDSJ-NSHDSACASA-N 0 0 238.331 2.002 10 30 BEEERN Cc1ncccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000309836551 384660456 /nfs/dbraw/zinc/66/04/56/384660456.db2.gz BJARLADFOGDJCB-DGCLKSJQSA-N 0 0 215.300 2.172 10 30 BEEERN CCOc1cc(CC#N)c([N+](=O)[O-])cc1F ZINC000575697878 384681783 /nfs/dbraw/zinc/68/17/83/384681783.db2.gz QMKRNOYULHIHLJ-UHFFFAOYSA-N 0 0 224.191 2.199 10 30 BEEERN CCOc1cc(CC#N)c([N+](=O)[O-])cc1C ZINC000575698934 384721546 /nfs/dbraw/zinc/72/15/46/384721546.db2.gz NYUBTRDEUKBWRY-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN CCOc1ccc(-c2c[nH]cn2)c(F)c1C#N ZINC000144144000 384751648 /nfs/dbraw/zinc/75/16/48/384751648.db2.gz DOMDQIWQUHFNIQ-UHFFFAOYSA-N 0 0 231.230 2.486 10 30 BEEERN O=C(/C=N\N1CCCCC1)c1ccccc1 ZINC000083325814 384757738 /nfs/dbraw/zinc/75/77/38/384757738.db2.gz DUTOVJKMXFGMAZ-KAMYIIQDSA-N 0 0 216.284 2.341 10 30 BEEERN N#CCc1c(F)ccc(OC(F)(F)F)c1CO ZINC000575706204 384799286 /nfs/dbraw/zinc/79/92/86/384799286.db2.gz SZQRLHGDPRNRPF-UHFFFAOYSA-N 0 0 249.163 2.283 10 30 BEEERN CC[S@](C)(=O)=Nc1cccc(C#N)c1 ZINC000536951674 384802738 /nfs/dbraw/zinc/80/27/38/384802738.db2.gz UUVVGSXRMSJJOF-AWEZNQCLSA-N 0 0 208.286 2.307 10 30 BEEERN N#Cc1ccc([C@@H]2CNC(=O)C23CCCC3)cc1 ZINC000536954619 384803266 /nfs/dbraw/zinc/80/32/66/384803266.db2.gz QTBSTSMARIKXBB-ZDUSSCGKSA-N 0 0 240.306 2.332 10 30 BEEERN CCOC(=O)C(C)(C)C(=O)c1ccc(C#N)cc1 ZINC000536959047 384806899 /nfs/dbraw/zinc/80/68/99/384806899.db2.gz NGPBSYBIKYZVKE-UHFFFAOYSA-N 0 0 245.278 2.330 10 30 BEEERN N#CCc1c(F)cc(N)cc1OC(F)F ZINC000575716364 384873458 /nfs/dbraw/zinc/87/34/58/384873458.db2.gz RJDMCHISFDWMCK-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN COc1c(N)ccc(C(F)(F)F)c1CC#N ZINC000575716309 384874776 /nfs/dbraw/zinc/87/47/76/384874776.db2.gz CSZLASLTMGURAE-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN Cc1ccc2c(c1C)n(C)cc(C#N)c2=O ZINC000072237041 384841189 /nfs/dbraw/zinc/84/11/89/384841189.db2.gz OTDJOZQFTFKEGK-UHFFFAOYSA-N 0 0 212.252 2.027 10 30 BEEERN O=CC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000107145288 384951583 /nfs/dbraw/zinc/95/15/83/384951583.db2.gz FLBZZWJMNUTZIP-CYBMUJFWSA-N 0 0 203.285 2.098 10 30 BEEERN Cc1ccc([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)o1 ZINC000181155823 384934700 /nfs/dbraw/zinc/93/47/00/384934700.db2.gz ZMWYVHGMBYKQSG-SECBINFHSA-N 0 0 243.266 2.279 10 30 BEEERN CCOc1cc2c(cc1/C=N/O)O[C@@H](C)C2 ZINC000057324193 384939092 /nfs/dbraw/zinc/93/90/92/384939092.db2.gz IVJSJHXRGCWOBV-MTDSNMTDSA-N 0 0 221.256 2.217 10 30 BEEERN C=CC[C@H](CO)Nc1ncccc1C(F)(F)F ZINC000302147092 384973942 /nfs/dbraw/zinc/97/39/42/384973942.db2.gz RRLKGAHGBPVQFQ-MRVPVSSYSA-N 0 0 246.232 2.449 10 30 BEEERN CC(C)C[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC000126041240 385051850 /nfs/dbraw/zinc/05/18/50/385051850.db2.gz SQLSMEIIMZDHND-NSHDSACASA-N 0 0 230.315 2.221 10 30 BEEERN COC(=O)c1cccc(C(F)(F)F)c1C#N ZINC000085223957 385058483 /nfs/dbraw/zinc/05/84/83/385058483.db2.gz BNDOWWMAPQBXCJ-UHFFFAOYSA-N 0 0 229.157 2.364 10 30 BEEERN C/C(=N\O)c1ccc(-n2cccn2)c(F)c1 ZINC000058824538 385024281 /nfs/dbraw/zinc/02/42/81/385024281.db2.gz KQDIQQBZGMZRNY-RIYZIHGNSA-N 0 0 219.219 2.210 10 30 BEEERN N#C[C@@H](NC(=O)CCc1ccsc1)C1CC1 ZINC000108831784 385093456 /nfs/dbraw/zinc/09/34/56/385093456.db2.gz BIOUSMGXXULOQM-LLVKDONJSA-N 0 0 234.324 2.099 10 30 BEEERN Cc1c(C#N)cccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000178566102 385247950 /nfs/dbraw/zinc/24/79/50/385247950.db2.gz UAPKAFBFAPSMPR-UFBFGSQYSA-N 0 0 229.283 2.397 10 30 BEEERN CSCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000407967292 385203027 /nfs/dbraw/zinc/20/30/27/385203027.db2.gz PQXSWXVSRRFAAK-ZJUUUORDSA-N 0 0 240.372 2.184 10 30 BEEERN C[C@@H](NC(=O)CC#N)c1cccc(Cl)c1 ZINC000044388451 385205429 /nfs/dbraw/zinc/20/54/29/385205429.db2.gz RKISHFIPLKHCBS-MRVPVSSYSA-N 0 0 222.675 2.431 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H](C=O)CC(F)(F)F ZINC000168884983 385391129 /nfs/dbraw/zinc/39/11/29/385391129.db2.gz XYUJVJSJPNDFBW-ZCFIWIBFSA-N 0 0 241.209 2.031 10 30 BEEERN Cc1cc(C#N)cc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000308208380 385386684 /nfs/dbraw/zinc/38/66/84/385386684.db2.gz VEAXPBDFBAFTJF-ZWNOBZJWSA-N 0 0 244.294 2.373 10 30 BEEERN Cc1cnc([C@H](C)Nc2cnc(C#N)cn2)s1 ZINC000128492159 385551754 /nfs/dbraw/zinc/55/17/54/385551754.db2.gz XJOAHDQVVIAIPB-QMMMGPOBSA-N 0 0 245.311 2.286 10 30 BEEERN C=C[C@@H](CC)c1cc2n(c(=O)c1O)CCC2 ZINC000039098135 385609572 /nfs/dbraw/zinc/60/95/72/385609572.db2.gz KMEYIWYSRCKODB-VIFPVBQESA-N 0 0 219.284 2.180 10 30 BEEERN Cc1nc(CN[C@@H]2CCC[C@@H]2C#N)cs1 ZINC000054826249 385665397 /nfs/dbraw/zinc/66/53/97/385665397.db2.gz RMEVRALEXIFYOG-MWLCHTKSSA-N 0 0 221.329 2.233 10 30 BEEERN CCOC(=O)c1cc(C#N)c(F)cc1C ZINC000260125091 385688470 /nfs/dbraw/zinc/68/84/70/385688470.db2.gz MBHTWPZPPZLSJW-UHFFFAOYSA-N 0 0 207.204 2.183 10 30 BEEERN COc1ccc(C(F)(F)F)c(C#N)c1N ZINC000221817695 385716304 /nfs/dbraw/zinc/71/63/04/385716304.db2.gz MYWWFKHSVPLXMT-UHFFFAOYSA-N 0 0 216.162 2.168 10 30 BEEERN CCOC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000260198945 385749261 /nfs/dbraw/zinc/74/92/61/385749261.db2.gz QHIQTGUETIWNBR-UHFFFAOYSA-N 0 0 211.167 2.013 10 30 BEEERN C[C@]1(O)CC(=O)C=C(c2ccccc2[N+](=O)[O-])C1 ZINC000040174980 385756188 /nfs/dbraw/zinc/75/61/88/385756188.db2.gz IORIQGHEEKSZRK-CYBMUJFWSA-N 0 0 247.250 2.092 10 30 BEEERN CC[C@H](C)c1noc(-c2cc(C#N)c[nH]2)n1 ZINC000230995740 385774110 /nfs/dbraw/zinc/77/41/10/385774110.db2.gz HPOIDTUXBDUUOI-ZETCQYMHSA-N 0 0 216.244 2.450 10 30 BEEERN CSC[C@H](C)N(C)c1ncccc1C#N ZINC000122469777 385921374 /nfs/dbraw/zinc/92/13/74/385921374.db2.gz ZPOTUKFPDMMJHY-VIFPVBQESA-N 0 0 221.329 2.141 10 30 BEEERN C#CC[C@H](CC)Nc1nc(Cl)nc(Cl)n1 ZINC000229317567 386100647 /nfs/dbraw/zinc/10/06/47/386100647.db2.gz DMFOCFLKKHGRAQ-LURJTMIESA-N 0 0 245.113 2.392 10 30 BEEERN CCCCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000020363678 386328820 /nfs/dbraw/zinc/32/88/20/386328820.db2.gz JCHHTBLPFJOXIS-NSHDSACASA-N 0 0 246.310 2.242 10 30 BEEERN C=CCCCCNc1nc(C)nc(C)c1F ZINC000336731767 386330619 /nfs/dbraw/zinc/33/06/19/386330619.db2.gz IZJCAEHXWGKFPN-UHFFFAOYSA-N 0 0 223.295 2.423 10 30 BEEERN C=C(C)CNC(=O)c1snnc1C(C)(C)C ZINC000123068751 386529214 /nfs/dbraw/zinc/52/92/14/386529214.db2.gz JUMNCJBHZNMDBH-UHFFFAOYSA-N 0 0 239.344 2.142 10 30 BEEERN N#Cc1ccc(N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000399004222 386504819 /nfs/dbraw/zinc/50/48/19/386504819.db2.gz NSCZADAHFJLKOE-GUTXKFCHSA-N 0 0 242.322 2.155 10 30 BEEERN N#Cc1ccc(N2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1 ZINC000399004224 386505060 /nfs/dbraw/zinc/50/50/60/386505060.db2.gz NSCZADAHFJLKOE-KCQAQPDRSA-N 0 0 242.322 2.155 10 30 BEEERN C=C(C)COCCNC(=O)NC1CCCCC1 ZINC000123931145 386575509 /nfs/dbraw/zinc/57/55/09/386575509.db2.gz OYCFHGKNHQLEBA-UHFFFAOYSA-N 0 0 240.347 2.211 10 30 BEEERN N#CCc1c(C#N)cc(O)cc1C(F)F ZINC000575642521 386578455 /nfs/dbraw/zinc/57/84/55/386578455.db2.gz CKXWLKJYBYKQQB-UHFFFAOYSA-N 0 0 208.167 2.268 10 30 BEEERN CC(C)(C)OCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000336757296 386582193 /nfs/dbraw/zinc/58/21/93/386582193.db2.gz JZUKRKIRZVMWDA-WDEREUQCSA-N 0 0 210.321 2.083 10 30 BEEERN CCc1cc(CC#N)cc(C#N)c1OC ZINC000575644782 386586211 /nfs/dbraw/zinc/58/62/11/386586211.db2.gz JGCCEPQXWFBVTK-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN C#Cc1cncc(NC(=O)OC(C)(C)C)c1 ZINC000095761547 386538987 /nfs/dbraw/zinc/53/89/87/386538987.db2.gz DPNIQHZDUOWFHM-UHFFFAOYSA-N 0 0 218.256 2.410 10 30 BEEERN C[C@@H](C(=O)N[C@@H](C#N)C1CC1)c1ccccc1 ZINC000123749405 386561156 /nfs/dbraw/zinc/56/11/56/386561156.db2.gz GXVKULJSNQMMDA-MFKMUULPSA-N 0 0 228.295 2.208 10 30 BEEERN C[C@H](C(=O)N[C@H](C#N)C1CC1)c1ccccc1 ZINC000123749605 386561574 /nfs/dbraw/zinc/56/15/74/386561574.db2.gz GXVKULJSNQMMDA-GXFFZTMASA-N 0 0 228.295 2.208 10 30 BEEERN C[C@H](CC1CC1)NC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000328918376 386651915 /nfs/dbraw/zinc/65/19/15/386651915.db2.gz AGWIHDLKMQMBMN-PSASIEDQSA-N 0 0 248.330 2.055 10 30 BEEERN C=CCCC(=O)N1CCC(c2ccnn2C)CC1 ZINC000124579802 386660034 /nfs/dbraw/zinc/66/00/34/386660034.db2.gz ROWCVIRSABQJFX-UHFFFAOYSA-N 0 0 247.342 2.092 10 30 BEEERN COC(=O)Cc1cccc(C#N)c1C(F)(F)F 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387882187 /nfs/dbraw/zinc/88/21/87/387882187.db2.gz SCIQBZGHSJOIII-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN COc1ccc(OC)c(OC(F)F)c1CC#N ZINC000575652696 387902434 /nfs/dbraw/zinc/90/24/34/387902434.db2.gz KMNRWLGHWVORFJ-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000175233225 387907653 /nfs/dbraw/zinc/90/76/53/387907653.db2.gz TZIYTKJTSCCJGV-QWRGUYRKSA-N 0 0 211.305 2.026 10 30 BEEERN CN[C@@H](C#N)c1csc(Br)c1 ZINC000306316581 388035770 /nfs/dbraw/zinc/03/57/70/388035770.db2.gz YNVUHHPIYIGCEJ-LURJTMIESA-N 0 0 231.118 2.295 10 30 BEEERN CN(C[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000042466222 388094464 /nfs/dbraw/zinc/09/44/64/388094464.db2.gz UTJAGWKEVYJVMA-ZDUSSCGKSA-N 0 0 216.284 2.173 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1Cc2ccccc21 ZINC000250867796 388198113 /nfs/dbraw/zinc/19/81/13/388198113.db2.gz XAQGBABUWNHAAR-UBHSHLNASA-N 0 0 240.306 2.135 10 30 BEEERN CC(C)[C@H](C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000070124090 388271171 /nfs/dbraw/zinc/27/11/71/388271171.db2.gz YNQGZYVYXRHZGZ-AXFHLTTASA-N 0 0 208.305 2.087 10 30 BEEERN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)/C=C/Cl ZINC000575521446 388357763 /nfs/dbraw/zinc/35/77/63/388357763.db2.gz WAMVIKRWLNXRGO-KKTQXTBQSA-N 0 0 202.681 2.368 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1Cc2ccccc21 ZINC000227482705 388363490 /nfs/dbraw/zinc/36/34/90/388363490.db2.gz XAQGBABUWNHAAR-IACUBPJLSA-N 0 0 240.306 2.135 10 30 BEEERN C[C@@](O)(C=O)C[C@H]1CCCCC1(F)F ZINC000307303338 388389972 /nfs/dbraw/zinc/38/99/72/388389972.db2.gz BPHUIGJOYOGYGO-BDAKNGLRSA-N 0 0 206.232 2.152 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1ccc(C#N)cc1 ZINC000134058821 388392362 /nfs/dbraw/zinc/39/23/62/388392362.db2.gz YJOVYUDCYPWZRJ-BXKDBHETSA-N 0 0 202.257 2.148 10 30 BEEERN COC(=O)c1cc(C#N)cc(OC(F)F)c1F ZINC000575385953 388458637 /nfs/dbraw/zinc/45/86/37/388458637.db2.gz PLPLEYBVZOYBJK-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN C[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000245737766 388431036 /nfs/dbraw/zinc/43/10/36/388431036.db2.gz LEDDRCQPNAHOKU-GBIKHYSHSA-N 0 0 245.326 2.441 10 30 BEEERN COC(=O)Cc1cc(C#N)c(F)c(C(F)F)c1 ZINC000575389779 388524531 /nfs/dbraw/zinc/52/45/31/388524531.db2.gz RQUFAJGWQTWHDS-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN C[C@@H]1C[C@H]1Nc1nc2ccccn2c1C#N ZINC000272918606 388531081 /nfs/dbraw/zinc/53/10/81/388531081.db2.gz PSKWXOWABYKLAK-RKDXNWHRSA-N 0 0 212.256 2.026 10 30 BEEERN CC[C@H](C)CC(=O)N[C@H]1CCC[C@H]1C#N ZINC000253197123 388586240 /nfs/dbraw/zinc/58/62/40/388586240.db2.gz ACVMDTNQFMNMMI-DCAQKATOSA-N 0 0 208.305 2.231 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000302196891 388586574 /nfs/dbraw/zinc/58/65/74/388586574.db2.gz OXTQSEZUOQTEJU-KXUCPTDWSA-N 0 0 242.269 2.230 10 30 BEEERN Cc1occc1Sc1ccc(C#N)nn1 ZINC000302027315 388618081 /nfs/dbraw/zinc/61/80/81/388618081.db2.gz AILUFQQCYUPQLM-UHFFFAOYSA-N 0 0 217.253 2.401 10 30 BEEERN N#CC1(c2nccc(C(F)(F)F)n2)CC1 ZINC000220678542 388606525 /nfs/dbraw/zinc/60/65/25/388606525.db2.gz JGWMXJVWSMQMCE-UHFFFAOYSA-N 0 0 213.162 2.051 10 30 BEEERN Cc1cc(N(C)C[C@@H]2CCOC2)c(C#N)c(C)n1 ZINC000301676603 388614638 /nfs/dbraw/zinc/61/46/38/388614638.db2.gz QEZUVOBGLLSKBQ-LBPRGKRZSA-N 0 0 245.326 2.043 10 30 BEEERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1C#N ZINC000191836153 388671302 /nfs/dbraw/zinc/67/13/02/388671302.db2.gz PTWCMLMQFHLWPY-JQWIXIFHSA-N 0 0 244.294 2.312 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000130666471 388672920 /nfs/dbraw/zinc/67/29/20/388672920.db2.gz XWPWLUWRYFDRRZ-APPZFPTMSA-N 0 0 217.228 2.287 10 30 BEEERN CCC1CCC(NC(=O)CSCC#N)CC1 ZINC000192566126 388679429 /nfs/dbraw/zinc/67/94/29/388679429.db2.gz HDGXEHIJYJUJDH-UHFFFAOYSA-N 0 0 240.372 2.328 10 30 BEEERN CC(C)(C)SCCNc1cnc(C#N)cn1 ZINC000123592695 388734105 /nfs/dbraw/zinc/73/41/05/388734105.db2.gz JSDCSALPUVJRLL-UHFFFAOYSA-N 0 0 236.344 2.292 10 30 BEEERN C=C[C@H](NN)c1ccsc1Br ZINC000575452219 388747943 /nfs/dbraw/zinc/74/79/43/388747943.db2.gz MDYRMJNOAWVHGF-LURJTMIESA-N 0 0 233.134 2.201 10 30 BEEERN C=C(C)COCCNC(=O)c1ccc(C)nc1C ZINC000126068106 388687654 /nfs/dbraw/zinc/68/76/54/388687654.db2.gz IRKYTMBRWUKSAV-UHFFFAOYSA-N 0 0 248.326 2.021 10 30 BEEERN C[C@H]1CCC[C@@H]1C(=O)NCCCCC#N ZINC000230057723 388811477 /nfs/dbraw/zinc/81/14/77/388811477.db2.gz NZSONDLFYWJUAW-QWRGUYRKSA-N 0 0 208.305 2.233 10 30 BEEERN CCCCNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000020363676 388764239 /nfs/dbraw/zinc/76/42/39/388764239.db2.gz JCHHTBLPFJOXIS-LLVKDONJSA-N 0 0 246.310 2.242 10 30 BEEERN Cc1cc(N[C@@H](C)CCCO)c(C#N)c(C)n1 ZINC000125469805 388787933 /nfs/dbraw/zinc/78/79/33/388787933.db2.gz ZGKJJITVSKFONM-VIFPVBQESA-N 0 0 233.315 2.143 10 30 BEEERN N#Cc1ccc(-c2ncccc2N)s1 ZINC000095942539 388791353 /nfs/dbraw/zinc/79/13/53/388791353.db2.gz ZVOOLMUSOPTXJS-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN C[C@@H](C=NO)Cc1ccc2c(c1)OCO2 ZINC000254407341 388844003 /nfs/dbraw/zinc/84/40/03/388844003.db2.gz ISLHQWBNLXYVQG-MRVPVSSYSA-N 0 0 207.229 2.054 10 30 BEEERN CCN(CCC#N)C(=O)[C@H]1CCC[C@H]1C ZINC000230170625 388819528 /nfs/dbraw/zinc/81/95/28/388819528.db2.gz YDGDYNPLMCYGQB-MNOVXSKESA-N 0 0 208.305 2.185 10 30 BEEERN C=C1CN(c2cc(Br)ccc2N)C1 ZINC000575466679 388838279 /nfs/dbraw/zinc/83/82/79/388838279.db2.gz IHFLOIZNYMCDNE-UHFFFAOYSA-N 0 0 239.116 2.408 10 30 BEEERN C[C@H]1SCC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495840 388960219 /nfs/dbraw/zinc/96/02/19/388960219.db2.gz CNFIHQRHBSTLBW-KCJUWKMLSA-N 0 0 242.344 2.299 10 30 BEEERN C#C[C@H](C)NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000248473961 533295464 /nfs/dbraw/zinc/29/54/64/533295464.db2.gz LLOHNJBFGJGCDC-PEYYIBSZSA-N 0 0 239.318 2.028 10 30 BEEERN C#Cc1cccc(N(C)C[C@H](O)C(F)(F)F)c1 ZINC000121198680 533346505 /nfs/dbraw/zinc/34/65/05/533346505.db2.gz RIVUARRXOHZWJM-NSHDSACASA-N 0 0 243.228 2.027 10 30 BEEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000184900499 533535659 /nfs/dbraw/zinc/53/56/59/533535659.db2.gz IUYVQEGIFMOGHD-SRVKXCTJSA-N 0 0 225.332 2.225 10 30 BEEERN N#Cc1cccnc1N1CCO[C@@H]2CCCC[C@@H]21 ZINC000043427689 132224639 /nfs/dbraw/zinc/22/46/39/132224639.db2.gz RYCJDAODYSBZMS-QWHCGFSZSA-N 0 0 243.310 2.101 10 30 BEEERN C[C@@H]1CCc2ccccc2N1CCC/C(N)=N/O ZINC000019471856 132325261 /nfs/dbraw/zinc/32/52/61/132325261.db2.gz GAKLAOQJZDKNRX-LLVKDONJSA-N 0 0 247.342 2.354 10 30 BEEERN C[C@@H]1C[C@H](C)CN(c2ccccc2/C(N)=N/O)C1 ZINC000020075988 132329611 /nfs/dbraw/zinc/32/96/11/132329611.db2.gz UIBSUUSULYCHHH-PHIMTYICSA-N 0 0 247.342 2.263 10 30 BEEERN C[C@@H]1CN(c2ccccc2C#N)C[C@@H](C)O1 ZINC000020076096 132329659 /nfs/dbraw/zinc/32/96/59/132329659.db2.gz XVFPSQXEIDKLIR-GHMZBOCLSA-N 0 0 216.284 2.172 10 30 BEEERN CC[C@H]1CCCCN1c1ncc(N)cc1C#N ZINC000037759042 132345548 /nfs/dbraw/zinc/34/55/48/132345548.db2.gz NHDYGEDUGQIPJO-LBPRGKRZSA-N 0 0 230.315 2.304 10 30 BEEERN CC[C@@H]1CCCCN1c1ncc(N)cc1C#N ZINC000037759041 132345595 /nfs/dbraw/zinc/34/55/95/132345595.db2.gz NHDYGEDUGQIPJO-GFCCVEGCSA-N 0 0 230.315 2.304 10 30 BEEERN N#CCCCN1CCSc2ccc(N)cc21 ZINC000038051429 132346052 /nfs/dbraw/zinc/34/60/52/132346052.db2.gz JWLOJTZEPJNSRI-UHFFFAOYSA-N 0 0 233.340 2.485 10 30 BEEERN CCCO[C@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000042425005 132351792 /nfs/dbraw/zinc/35/17/92/132351792.db2.gz IAGNCLLKAUIYKU-ZDUSSCGKSA-N 0 0 245.326 2.349 10 30 BEEERN C[C@H](C#N)N1CCSc2ccc(N)cc21 ZINC000043516885 132353399 /nfs/dbraw/zinc/35/33/99/132353399.db2.gz AHNBKKWDXHKWGP-MRVPVSSYSA-N 0 0 219.313 2.093 10 30 BEEERN Cc1ccc2c(c1)CCCN2[C@H](C)C/C(N)=N/O ZINC000048251353 132355353 /nfs/dbraw/zinc/35/53/53/132355353.db2.gz ZLFKVNTTWASGFI-LLVKDONJSA-N 0 0 247.342 2.273 10 30 BEEERN Cc1ccc(C#N)c(N2CCCC[C@@H]2CO)c1 ZINC000051596011 132361551 /nfs/dbraw/zinc/36/15/51/132361551.db2.gz WEXBVTKRIFKBMX-CYBMUJFWSA-N 0 0 230.311 2.218 10 30 BEEERN Cc1ccc(C#N)c(N2CCCC[C@H]2CO)c1 ZINC000051596012 132361562 /nfs/dbraw/zinc/36/15/62/132361562.db2.gz WEXBVTKRIFKBMX-ZDUSSCGKSA-N 0 0 230.311 2.218 10 30 BEEERN O=C[C@H]1CCCN(c2ncnc3ccsc32)C1 ZINC000054268718 132363963 /nfs/dbraw/zinc/36/39/63/132363963.db2.gz XRFLIDBXHKPPFO-VIFPVBQESA-N 0 0 247.323 2.107 10 30 BEEERN CC1(C)CC(=O)N(c2ccccc2C#N)C(=O)C1 ZINC000058003537 132367774 /nfs/dbraw/zinc/36/77/74/132367774.db2.gz AOHBYQLIGSKDAT-UHFFFAOYSA-N 0 0 242.278 2.238 10 30 BEEERN C[C@H](CN1C[C@@H](C)Cc2ccccc21)/C(N)=N/O ZINC000104181617 132435522 /nfs/dbraw/zinc/43/55/22/132435522.db2.gz GOBRCORKGWWSAX-WDEREUQCSA-N 0 0 247.342 2.068 10 30 BEEERN C[C@H](CC#N)N1CCN(C)c2ccccc21 ZINC000104283548 132436707 /nfs/dbraw/zinc/43/67/07/132436707.db2.gz WABDUEVCYXMZQN-LLVKDONJSA-N 0 0 215.300 2.245 10 30 BEEERN C=CC[C@@H](C)NC(=O)N[C@@H]1COc2ccccc21 ZINC000116951537 133443370 /nfs/dbraw/zinc/44/33/70/133443370.db2.gz HRXHZFTUPROGSQ-ZYHUDNBSSA-N 0 0 246.310 2.384 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000408331291 133470737 /nfs/dbraw/zinc/47/07/37/133470737.db2.gz QJXRAJHAWFJQDE-WOPDTQHZSA-N 0 0 218.300 2.151 10 30 BEEERN CCOCCN(C)c1cc(C)nc(C)c1C#N ZINC000157911417 133494269 /nfs/dbraw/zinc/49/42/69/133494269.db2.gz JMKSMSSRLIIJBP-UHFFFAOYSA-N 0 0 233.315 2.043 10 30 BEEERN CC(C)C(=O)Nc1ccc(NC(=O)CC#N)cc1 ZINC000219587551 133523976 /nfs/dbraw/zinc/52/39/76/133523976.db2.gz QWTAZFSNVISNBO-UHFFFAOYSA-N 0 0 245.282 2.133 10 30 BEEERN CCN(C)C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000334641056 133713100 /nfs/dbraw/zinc/71/31/00/133713100.db2.gz LMFJQKJCEOMSDX-SNVBAGLBSA-N 0 0 223.320 2.072 10 30 BEEERN N#Cc1ccsc1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000335806683 133915721 /nfs/dbraw/zinc/91/57/21/133915721.db2.gz NBEVWLBSMOXGHI-NXEZZACHSA-N 0 0 232.308 2.244 10 30 BEEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC1CCC1 ZINC000329046313 133961538 /nfs/dbraw/zinc/96/15/38/133961538.db2.gz UZXMWRKDMGDFAI-GHMZBOCLSA-N 0 0 249.314 2.007 10 30 BEEERN C=CCO[C@@H]1CCN(c2ccnc(C3CC3)n2)C1 ZINC000302187421 134157722 /nfs/dbraw/zinc/15/77/22/134157722.db2.gz UTASBQOBBOHTNB-GFCCVEGCSA-N 0 0 245.326 2.135 10 30 BEEERN C=CCNC(=O)N(CC)[C@@H](C)c1cccnc1 ZINC000115641868 134162085 /nfs/dbraw/zinc/16/20/85/134162085.db2.gz VEHPBUFWSNYHJB-NSHDSACASA-N 0 0 233.315 2.360 10 30 BEEERN C=CC[C@@H](C)NC(=O)c1cccc(NC(C)=O)c1 ZINC000116856242 134219057 /nfs/dbraw/zinc/21/90/57/134219057.db2.gz JIBBIBMXFIWOOW-SNVBAGLBSA-N 0 0 246.310 2.339 10 30 BEEERN N#CCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000119189662 134225337 /nfs/dbraw/zinc/22/53/37/134225337.db2.gz HAINTBSIAPCPGG-UHFFFAOYSA-N 0 0 226.279 2.216 10 30 BEEERN C=C(C)CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000122972270 134242010 /nfs/dbraw/zinc/24/20/10/134242010.db2.gz DHHPPSUDYLIURN-LLVKDONJSA-N 0 0 244.294 2.018 10 30 BEEERN C[C@@H](C#N)NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000181202215 134334096 /nfs/dbraw/zinc/33/40/96/134334096.db2.gz UQGZPAVJSWATEU-DCAQKATOSA-N 0 0 222.332 2.477 10 30 BEEERN C=CCCCC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181355094 134335559 /nfs/dbraw/zinc/33/55/59/134335559.db2.gz SSQCDPIJCSWWBB-LLVKDONJSA-N 0 0 248.330 2.215 10 30 BEEERN Cc1cnc([C@H](C)Nc2cccc(C#N)n2)o1 ZINC000226547921 134366055 /nfs/dbraw/zinc/36/60/55/134366055.db2.gz CYBJKVXLJSDJSY-VIFPVBQESA-N 0 0 228.255 2.423 10 30 BEEERN COc1ccc(O)c(/C=N/[C@@H]2C[C@@H]2C)c1 ZINC000076008388 134407526 /nfs/dbraw/zinc/40/75/26/134407526.db2.gz ZYZCNESPKRYIMQ-GQNAQIJYSA-N 0 0 205.257 2.228 10 30 BEEERN CC[C@](C)(C#N)C(=O)NCCc1ccsc1 ZINC000136208873 134767850 /nfs/dbraw/zinc/76/78/50/134767850.db2.gz BWFCYGFAGCSMMB-GFCCVEGCSA-N 0 0 236.340 2.347 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c(C)n1 ZINC000061888536 134803035 /nfs/dbraw/zinc/80/30/35/134803035.db2.gz QJDKNBOKAZLINN-YPMHNXCESA-N 0 0 243.310 2.121 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000061889230 134804060 /nfs/dbraw/zinc/80/40/60/134804060.db2.gz JNSQQXSAALXRDN-JQWIXIFHSA-N 0 0 232.258 2.248 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccoc1Cl ZINC000236041144 134819399 /nfs/dbraw/zinc/81/93/99/134819399.db2.gz ROYWUXSYQTVSJZ-IONNQARKSA-N 0 0 238.674 2.355 10 30 BEEERN C[C@H](C#N)N1CC[C@@H](Nc2ccccc2)C1 ZINC000248451211 135010476 /nfs/dbraw/zinc/01/04/76/135010476.db2.gz IZERWNCBOGZRRI-DGCLKSJQSA-N 0 0 215.300 2.085 10 30 BEEERN C[C@@H](C#N)N1CCO[C@](C)(c2ccccc2)C1 ZINC000248475230 135013753 /nfs/dbraw/zinc/01/37/53/135013753.db2.gz XPFJOAHFPFRKJD-JSGCOSHPSA-N 0 0 230.311 2.146 10 30 BEEERN C[C@H](C#N)CN(C)C(=O)[C@@H]1CCC[C@@H]1C ZINC000230170547 135019903 /nfs/dbraw/zinc/01/99/03/135019903.db2.gz IBBBOPXKNIFPDA-OUAUKWLOSA-N 0 0 208.305 2.041 10 30 BEEERN C=CCNC(=O)N1CCCC[C@H](SCC)C1 ZINC000112130429 135026892 /nfs/dbraw/zinc/02/68/92/135026892.db2.gz ARQGIXNIFLNHLO-NSHDSACASA-N 0 0 242.388 2.490 10 30 BEEERN C=CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000121569631 135224909 /nfs/dbraw/zinc/22/49/09/135224909.db2.gz XWKAKYUZDFITLI-UHFFFAOYSA-N 0 0 212.274 2.274 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cn1 ZINC000079729464 135356591 /nfs/dbraw/zinc/35/65/91/135356591.db2.gz ZKZOYGFBSBQBDE-PSASIEDQSA-N 0 0 249.701 2.157 10 30 BEEERN O=C(C[C@H]1CCCCC(=O)N1)Nc1cncnc1 ZINC000328640852 135463249 /nfs/dbraw/zinc/46/32/49/135463249.db2.gz FIBXSNFZPZASRL-SECBINFHSA-N 0 0 248.286 2.354 10 30 BEEERN C=C[C@@](C)(CC)C(=O)NCCCCC(=O)OC ZINC000134987338 135552638 /nfs/dbraw/zinc/55/26/38/135552638.db2.gz BEOALOATNYNTON-ZDUSSCGKSA-N 0 0 241.331 2.048 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)s1 ZINC000061888953 135563010 /nfs/dbraw/zinc/56/30/10/135563010.db2.gz QRAYVRNSRQNZRY-VHSXEESVSA-N 0 0 234.324 2.479 10 30 BEEERN N#Cc1c(F)cccc1N1CCC[C@H]1CCCO ZINC000093396669 135596708 /nfs/dbraw/zinc/59/67/08/135596708.db2.gz VGCQYCAZHPDPGD-NSHDSACASA-N 0 0 248.301 2.439 10 30 BEEERN CC1(C(=O)N[C@@H]2CCC[C@@H]2C#N)CCCC1 ZINC000093695675 135605112 /nfs/dbraw/zinc/60/51/12/135605112.db2.gz VFILGAVAZOLMGX-GHMZBOCLSA-N 0 0 220.316 2.375 10 30 BEEERN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000335569511 136108844 /nfs/dbraw/zinc/10/88/44/136108844.db2.gz PIJKQMWVKFYWHU-GHMZBOCLSA-N 0 0 225.332 2.225 10 30 BEEERN C[C@H](CC#N)NC(=O)c1cccc2ncccc21 ZINC000060941435 322858667 /nfs/dbraw/zinc/85/86/67/322858667.db2.gz VDMRIEAVDVZREV-SNVBAGLBSA-N 0 0 239.278 2.267 10 30 BEEERN C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000156245481 397756791 /nfs/dbraw/zinc/75/67/91/397756791.db2.gz DFCJVGNXWDYNES-MFKMUULPSA-N 0 0 244.294 2.116 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1nc2c(cc1C#N)CCC2 ZINC000149800074 397912065 /nfs/dbraw/zinc/91/20/65/397912065.db2.gz VMLZTZSQJGCANL-JOYOIKCWSA-N 0 0 243.310 2.031 10 30 BEEERN O=CC[C@@H](O)c1cscc1Br ZINC000307134163 397986333 /nfs/dbraw/zinc/98/63/33/397986333.db2.gz NQDQFGLBMVYTFC-SSDOTTSWSA-N 0 0 235.102 2.133 10 30 BEEERN CC(C)Nc1c(C#N)nnc2ccccc21 ZINC000041529695 167142800 /nfs/dbraw/zinc/14/28/00/167142800.db2.gz IZYJULVBIWUZNL-UHFFFAOYSA-N 0 0 212.256 2.322 10 30 BEEERN C#CCC[C@H](O)Cc1ccc(OC)c(OC)c1 ZINC000104348217 166152589 /nfs/dbraw/zinc/15/25/89/166152589.db2.gz FOHKVMFHIHOMTE-LBPRGKRZSA-N 0 0 234.295 2.021 10 30 BEEERN C#CCCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000075421232 166118146 /nfs/dbraw/zinc/11/81/46/166118146.db2.gz YBKKEAWTQIJWQN-UHFFFAOYSA-N 0 0 245.278 2.215 10 30 BEEERN C#CC(=O)Nc1ccccc1Br ZINC000033835082 166108736 /nfs/dbraw/zinc/10/87/36/166108736.db2.gz WFWDQRWHBQZSKS-UHFFFAOYSA-N 0 0 224.057 2.021 10 30 BEEERN C=CCS(=O)(=O)N(C)CCCC1CCC1 ZINC000664029855 410437668 /nfs/dbraw/zinc/43/76/68/410437668.db2.gz OUUMYFAOHZCRNK-UHFFFAOYSA-N 0 0 231.361 2.014 10 30 BEEERN C[C@H](CC1CC1)NC(=O)c1cccc(C#N)c1 ZINC000070104315 410439726 /nfs/dbraw/zinc/43/97/26/410439726.db2.gz STICEAUJNXKUPP-SNVBAGLBSA-N 0 0 228.295 2.477 10 30 BEEERN C#Cc1cccc(NC[C@@H]2CCOC2)c1 ZINC000019876987 166223950 /nfs/dbraw/zinc/22/39/50/166223950.db2.gz AJZNUZFPWQYZPK-LBPRGKRZSA-N 0 0 201.269 2.116 10 30 BEEERN C=CCN(C(=O)c1cccc(N)c1)C(C)C ZINC000037817723 166312316 /nfs/dbraw/zinc/31/23/16/166312316.db2.gz XTVKFOHWHKFFSA-UHFFFAOYSA-N 0 0 218.300 2.305 10 30 BEEERN C=CCN(CC=C)C(=O)c1ccc(C)c(N)c1 ZINC000019519538 166333157 /nfs/dbraw/zinc/33/31/57/166333157.db2.gz UBNLDQIMIVKURT-UHFFFAOYSA-N 0 0 230.311 2.391 10 30 BEEERN C=CCN(CC=C)c1ccc(CO)cc1[N+](=O)[O-] ZINC000020446644 166337222 /nfs/dbraw/zinc/33/72/22/166337222.db2.gz KVRVHTAWLJDJII-UHFFFAOYSA-N 0 0 248.282 2.266 10 30 BEEERN C=CCN1C[C@H](C)C(=O)C(CC)(CC)C1=O ZINC000005819460 166361143 /nfs/dbraw/zinc/36/11/43/166361143.db2.gz SHTUEFWBMJJSIC-JTQLQIEISA-N 0 0 223.316 2.026 10 30 BEEERN C=CCNCC(=O)c1ccc(Cl)cc1 ZINC000041612105 166398337 /nfs/dbraw/zinc/39/83/37/166398337.db2.gz ZUSBFXQVCQBCMJ-UHFFFAOYSA-N 0 0 209.676 2.298 10 30 BEEERN C=CC[NH2+][C@@]1(C(=O)[O-])C[C@H](C)CC(C)(C)C1 ZINC000041732082 166406439 /nfs/dbraw/zinc/40/64/39/166406439.db2.gz XZVLENWEFORXMF-MFKMUULPSA-N 0 0 225.332 2.432 10 30 BEEERN C=CC[NH2+][C@]1(C(=O)[O-])CCCc2ccccc21 ZINC000041732205 166407721 /nfs/dbraw/zinc/40/77/21/166407721.db2.gz DBZZKZIMWSYKCY-CQSZACIVSA-N 0 0 231.295 2.078 10 30 BEEERN CC(C)(C)OC(=O)[C@@H](C#N)c1ccc(F)cn1 ZINC000098179618 166671988 /nfs/dbraw/zinc/67/19/88/166671988.db2.gz COXWXURSMQIUPM-VIFPVBQESA-N 0 0 236.246 2.170 10 30 BEEERN CC(C)CN(CCC#N)c1ncccc1C#N ZINC000044289803 166952886 /nfs/dbraw/zinc/95/28/86/166952886.db2.gz MFHBMZKUGXNKLK-UHFFFAOYSA-N 0 0 228.299 2.329 10 30 BEEERN CC(C)CNC1(C#N)Cc2ccccc2C1 ZINC000037939302 167001333 /nfs/dbraw/zinc/00/13/33/167001333.db2.gz VNPHXKKDUOMVGO-UHFFFAOYSA-N 0 0 214.312 2.293 10 30 BEEERN CC(C)COCC(=O)Nc1ccc(C#N)cc1 ZINC000019847386 167023702 /nfs/dbraw/zinc/02/37/02/167023702.db2.gz UDWULQHYIJWJGI-UHFFFAOYSA-N 0 0 232.283 2.169 10 30 BEEERN CC(C)NC(=O)CCNc1ccc(F)c(C#N)c1 ZINC000054048383 167043602 /nfs/dbraw/zinc/04/36/02/167043602.db2.gz VNSWYFAQDBDEKR-UHFFFAOYSA-N 0 0 249.289 2.024 10 30 BEEERN CC(C)OC(=O)CN(CCC#N)c1ccccc1 ZINC000049799952 167159958 /nfs/dbraw/zinc/15/99/58/167159958.db2.gz HOCVOPSPOWCCKI-UHFFFAOYSA-N 0 0 246.310 2.358 10 30 BEEERN CC(C)Oc1cccc(C(=O)NCCC#N)c1 ZINC000061666441 167303594 /nfs/dbraw/zinc/30/35/94/167303594.db2.gz CQYHXONJPSFZTJ-UHFFFAOYSA-N 0 0 232.283 2.117 10 30 BEEERN CC(C)[C@@H](C#N)NC(=O)Nc1ccccc1 ZINC000071520086 167340233 /nfs/dbraw/zinc/34/02/33/167340233.db2.gz STKBIMKBAZNGAY-LLVKDONJSA-N 0 0 217.272 2.356 10 30 BEEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000659802211 411293951 /nfs/dbraw/zinc/29/39/51/411293951.db2.gz OXRRDCCYYPBTJK-RYUDHWBXSA-N 0 0 223.316 2.138 10 30 BEEERN CC1=CC(=O)C2=C(C)C[C@@H]3OC(=O)[C@@H](C)[C@H]3C=C12 ZINC000004672269 168091595 /nfs/dbraw/zinc/09/15/95/168091595.db2.gz FRBORWNVTCITAQ-NDMJEZRESA-N 0 0 244.290 2.340 10 30 BEEERN CCC(=O)[C@@H](C#N)c1ccc(OC)c(OC)c1 ZINC000036931125 168251366 /nfs/dbraw/zinc/25/13/66/168251366.db2.gz ZLWTZLGNRONHHR-JTQLQIEISA-N 0 0 233.267 2.290 10 30 BEEERN CCC(C#N)(CC)C(=O)N(C)C[C@H]1C[C@@H]1C ZINC000104415329 168260230 /nfs/dbraw/zinc/26/02/30/168260230.db2.gz ARYARGUCERNWNF-WDEREUQCSA-N 0 0 222.332 2.431 10 30 BEEERN CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061888473 168268166 /nfs/dbraw/zinc/26/81/66/168268166.db2.gz YDZDHMNWRFQQDH-VHSXEESVSA-N 0 0 208.305 2.231 10 30 BEEERN CCC(C)(C)OCc1cccc(/C(N)=N/O)c1 ZINC000020516433 168304772 /nfs/dbraw/zinc/30/47/72/168304772.db2.gz SXXOGPONDPEUMQ-UHFFFAOYSA-N 0 0 236.315 2.486 10 30 BEEERN CCC(C)(CC)N=C(NC#N)Nc1cccnc1 ZINC000026576594 168307061 /nfs/dbraw/zinc/30/70/61/168307061.db2.gz DVBZYBSNXKAJHX-UHFFFAOYSA-N 0 0 245.330 2.499 10 30 BEEERN C#Cc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000219514039 411447321 /nfs/dbraw/zinc/44/73/21/411447321.db2.gz KDBTXUVLYVGRJD-SECBINFHSA-N 0 0 200.159 2.264 10 30 BEEERN CCNC(=O)N(CCC#N)c1ccccc1 ZINC000036949288 170072989 /nfs/dbraw/zinc/07/29/89/170072989.db2.gz ZUVCVYYCNYDURO-UHFFFAOYSA-N 0 0 217.272 2.136 10 30 BEEERN CCN[C@@H](C#N)c1cc2c(c(Cl)c1)OCO2 ZINC000036897150 170137627 /nfs/dbraw/zinc/13/76/27/170137627.db2.gz WUOIDVJZSMVHON-VIFPVBQESA-N 0 0 238.674 2.243 10 30 BEEERN CCN[C@@H](C#N)c1ccc(OC)c(F)c1 ZINC000077301427 170137709 /nfs/dbraw/zinc/13/77/09/170137709.db2.gz HAENXAUKERIHTF-JTQLQIEISA-N 0 0 208.236 2.008 10 30 BEEERN CCN[C@@H](C#N)c1cc(F)c(F)c(F)c1 ZINC000062711899 170137717 /nfs/dbraw/zinc/13/77/17/170137717.db2.gz DSSGLUQENZSHJI-VIFPVBQESA-N 0 0 214.190 2.278 10 30 BEEERN CCN[C@@H](C#N)c1cc(C)c(O)c(C)c1 ZINC000020424359 170137816 /nfs/dbraw/zinc/13/78/16/170137816.db2.gz OKCXYKGOQXGNRP-NSHDSACASA-N 0 0 204.273 2.183 10 30 BEEERN CCN[C@@](C)(C#N)Cn1nc(C)c(Cl)c1C ZINC000050587957 170155269 /nfs/dbraw/zinc/15/52/69/170155269.db2.gz LJHZOKVFKQSAIZ-NSHDSACASA-N 0 0 240.738 2.045 10 30 BEEERN CCN[C@H](C#N)c1ccc(O)c(Cl)c1 ZINC000043488951 170156235 /nfs/dbraw/zinc/15/62/35/170156235.db2.gz HQDJWMLRPSEZRL-SECBINFHSA-N 0 0 210.664 2.220 10 30 BEEERN CCNc1cc(-c2cccc(C#N)c2)cnn1 ZINC000013673537 170171447 /nfs/dbraw/zinc/17/14/47/170171447.db2.gz FMLVTOVZPUQQCF-UHFFFAOYSA-N 0 0 224.267 2.447 10 30 BEEERN CCNc1ncccc1CN(C)[C@H](C)CC#N ZINC000063090282 170177977 /nfs/dbraw/zinc/17/79/77/170177977.db2.gz VUVQNZSGYCFNKU-LLVKDONJSA-N 0 0 232.331 2.247 10 30 BEEERN CCNc1ncccc1CN(C)[C@@H](C)CC#N ZINC000063090280 170178011 /nfs/dbraw/zinc/17/80/11/170178011.db2.gz VUVQNZSGYCFNKU-NSHDSACASA-N 0 0 232.331 2.247 10 30 BEEERN CCOC(=O)C(C)(C)c1cccc(C#N)c1 ZINC000052233074 170188067 /nfs/dbraw/zinc/18/80/67/170188067.db2.gz XQVYPZKYLFMKDV-UHFFFAOYSA-N 0 0 217.268 2.399 10 30 BEEERN CCOC(=O)CCOc1ccc(C#N)c(F)c1 ZINC000075881250 170210927 /nfs/dbraw/zinc/21/09/27/170210927.db2.gz FPHDAOJSHAXUGB-UHFFFAOYSA-N 0 0 237.230 2.029 10 30 BEEERN CCOC(=O)CN(c1ccccc1C#N)C(C)C ZINC000042707616 170217667 /nfs/dbraw/zinc/21/76/67/170217667.db2.gz YENXTTFWAOMNDT-UHFFFAOYSA-N 0 0 246.310 2.336 10 30 BEEERN CCOC(=O)Nc1ccc(/C(C)=N/O)cc1 ZINC000019485127 170243749 /nfs/dbraw/zinc/24/37/49/170243749.db2.gz ZAYCVCJOLSCXLT-MDWZMJQESA-N 0 0 222.244 2.453 10 30 BEEERN CCOC(=O)[C@@](C)(C#N)Cc1ccccc1OC ZINC000057536211 170260587 /nfs/dbraw/zinc/26/05/87/170260587.db2.gz XCFQKCSULBESQS-CQSZACIVSA-N 0 0 247.294 2.331 10 30 BEEERN CCOC(=O)c1cccc(NCCC#N)c1 ZINC000045928774 170298339 /nfs/dbraw/zinc/29/83/39/170298339.db2.gz RBPAYDRCPPXLSJ-UHFFFAOYSA-N 0 0 218.256 2.189 10 30 BEEERN CCOCCCNc1ccccc1C#N ZINC000020077248 170383696 /nfs/dbraw/zinc/38/36/96/170383696.db2.gz BSNVBBUTBOQUMY-UHFFFAOYSA-N 0 0 204.273 2.397 10 30 BEEERN CCO[C@H]1CC(=O)C=C(c2ccccc2)O1 ZINC000039100385 170504775 /nfs/dbraw/zinc/50/47/75/170504775.db2.gz YMUKXLHZVXPRCI-CYBMUJFWSA-N 0 0 218.252 2.380 10 30 BEEERN CCOc1cc([C@H](C#N)NC(C)C)ccc1O ZINC000036924727 170529168 /nfs/dbraw/zinc/52/91/68/170529168.db2.gz WXQFXFJKPOQAKE-NSHDSACASA-N 0 0 234.299 2.354 10 30 BEEERN CCOc1ccc([C@H](C#N)N(C)C)cc1 ZINC000019934562 170562609 /nfs/dbraw/zinc/56/26/09/170562609.db2.gz NRYYVQUBYOMYMI-LBPRGKRZSA-N 0 0 204.273 2.212 10 30 BEEERN CCS[C@H]1CCC[C@@H]1Nc1cnc(C#N)cn1 ZINC000126296878 170651973 /nfs/dbraw/zinc/65/19/73/170651973.db2.gz NTXOEFSYGUNTNS-QWRGUYRKSA-N 0 0 248.355 2.434 10 30 BEEERN CC[C@@H](C)OCc1cc(C#CCO)ccc1OC ZINC000049622019 170765196 /nfs/dbraw/zinc/76/51/96/170765196.db2.gz ZRUFYUZFSDMZJR-GFCCVEGCSA-N 0 0 248.322 2.354 10 30 BEEERN CC[C@@H]1CC[C@H](C)N1c1nccc(C#N)n1 ZINC000231904875 171056231 /nfs/dbraw/zinc/05/62/31/171056231.db2.gz ZCBAUVFBDBJSFL-GXSJLCMTSA-N 0 0 216.288 2.116 10 30 BEEERN CC[C@@H]1CCc2nc(N)c(C#N)cc2C1 ZINC000050871203 171060897 /nfs/dbraw/zinc/06/08/97/171060897.db2.gz IQRJKCPTYVSVAN-MRVPVSSYSA-N 0 0 201.273 2.050 10 30 BEEERN CC[C@H](C)C(=O)Nc1ccc(F)cc1C#CCO ZINC000037549412 171255339 /nfs/dbraw/zinc/25/53/39/171255339.db2.gz VVGJWWWJTNWUJN-JTQLQIEISA-N 0 0 249.285 2.154 10 30 BEEERN CC[C@H](C)N(CCOC)c1ccc(N)cc1C#N ZINC000042578853 171315545 /nfs/dbraw/zinc/31/55/45/171315545.db2.gz VBRVCDBIMYRSCZ-NSHDSACASA-N 0 0 247.342 2.392 10 30 BEEERN CC[C@H](C)N(CCOC)c1ncccc1C#N ZINC000042591868 171315786 /nfs/dbraw/zinc/31/57/86/171315786.db2.gz KNVICAWEJVMAHK-NSHDSACASA-N 0 0 233.315 2.205 10 30 BEEERN CC[C@H](C)NC(=O)CNc1ccc(CC#N)cc1 ZINC000049899938 171326079 /nfs/dbraw/zinc/32/60/79/171326079.db2.gz BUOKSXHQIIGRAX-NSHDSACASA-N 0 0 245.326 2.079 10 30 BEEERN CC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000020363671 171335691 /nfs/dbraw/zinc/33/56/91/171335691.db2.gz BUCAHNMCBBHVSE-QWRGUYRKSA-N 0 0 246.310 2.240 10 30 BEEERN CC[C@H](C)OCc1ccc(/C(N)=N/O)cc1F ZINC000048264818 171355686 /nfs/dbraw/zinc/35/56/86/171355686.db2.gz VGFNDIBUOLLKAI-QMMMGPOBSA-N 0 0 240.278 2.235 10 30 BEEERN CC[C@H](C)Sc1cc(/C(N)=N/O)ccn1 ZINC000019870273 171357119 /nfs/dbraw/zinc/35/71/19/171357119.db2.gz POUQICGKQZFNMZ-ZETCQYMHSA-N 0 0 225.317 2.067 10 30 BEEERN CC[C@H]1CCCCN1/C(=N/C#N)SC ZINC000103597087 171604921 /nfs/dbraw/zinc/60/49/21/171604921.db2.gz DAEFVUMTWGIYKK-ZJVCQKQLSA-N 0 0 211.334 2.451 10 30 BEEERN CC[C@H]1CCCC[C@H]1OCC/C(N)=N/O ZINC000019485395 171612833 /nfs/dbraw/zinc/61/28/33/171612833.db2.gz GNEILAQMVQEXAA-VHSXEESVSA-N 0 0 214.309 2.108 10 30 BEEERN CCc1ccc(C(=O)NC(C)(C)C#N)s1 ZINC000042253685 171785283 /nfs/dbraw/zinc/78/52/83/171785283.db2.gz IRUFGQPAUPMSPI-UHFFFAOYSA-N 0 0 222.313 2.342 10 30 BEEERN CCc1ccccc1/N=C1/NC(=O)CS1 ZINC000011637988 171870320 /nfs/dbraw/zinc/87/03/20/171870320.db2.gz YNQMGZLMJYYBAL-UHFFFAOYSA-N 0 0 220.297 2.100 10 30 BEEERN CCc1nc2ccccc2n1[C@H](C)C/C(N)=N/O ZINC000062807730 172013953 /nfs/dbraw/zinc/01/39/53/172013953.db2.gz UAWNSCMOEJDAQV-SECBINFHSA-N 0 0 246.314 2.296 10 30 BEEERN CCn1c2ccccc2nc1CNCCC#N ZINC000037979092 172145205 /nfs/dbraw/zinc/14/52/05/172145205.db2.gz AVOZDEKSYIXDAA-UHFFFAOYSA-N 0 0 228.299 2.059 10 30 BEEERN CN(C)/C=C/C(=O)/C=C\c1ccccc1 ZINC000033337196 172350313 /nfs/dbraw/zinc/35/03/13/172350313.db2.gz CPAPAUUVHVLWMO-QNRZBPGKSA-N 0 0 201.269 2.344 10 30 BEEERN CN(CC1CCOCC1)c1ccc(N)cc1C#N ZINC000104203383 172663943 /nfs/dbraw/zinc/66/39/43/172663943.db2.gz GCHCTLKHHQEBNM-UHFFFAOYSA-N 0 0 245.326 2.003 10 30 BEEERN CN1C(=O)CS/C1=N/c1ccc(F)cc1 ZINC000061688158 172963447 /nfs/dbraw/zinc/96/34/47/172963447.db2.gz IPFCMDRWEZKXPZ-ZRDIBKRKSA-N 0 0 224.260 2.018 10 30 BEEERN CN1CCc2nc3ccccc3c(C#N)c2C1 ZINC000039140304 173173723 /nfs/dbraw/zinc/17/37/23/173173723.db2.gz XVWXIFQTEUNFST-UHFFFAOYSA-N 0 0 223.279 2.094 10 30 BEEERN COC(=O)C[C@H](C)Nc1cc(C#N)ccc1C ZINC000050430266 173633332 /nfs/dbraw/zinc/63/33/32/173633332.db2.gz AEHDQEJWSRHNPR-JTQLQIEISA-N 0 0 232.283 2.230 10 30 BEEERN COC(=O)c1ccc([C@@H](C#N)NCC(C)C)cc1 ZINC000037939285 173886884 /nfs/dbraw/zinc/88/68/84/173886884.db2.gz LYVYXLPKNOVDEF-CYBMUJFWSA-N 0 0 246.310 2.283 10 30 BEEERN COC(=O)c1ccc(OCCCCC#N)c(N)c1 ZINC000049578959 173887803 /nfs/dbraw/zinc/88/78/03/173887803.db2.gz MAGZQRFGUUOWEG-UHFFFAOYSA-N 0 0 248.282 2.128 10 30 BEEERN COCCC(=O)[C@@H](C#N)c1ccc(C)cc1 ZINC000049816247 174139252 /nfs/dbraw/zinc/13/92/52/174139252.db2.gz VZHJQQCSPUTWMM-LBPRGKRZSA-N 0 0 217.268 2.208 10 30 BEEERN COCCCN(C)c1cccc(C#N)c1 ZINC000059184039 174220295 /nfs/dbraw/zinc/22/02/95/174220295.db2.gz MTPPNGNBXISWOA-UHFFFAOYSA-N 0 0 204.273 2.031 10 30 BEEERN COCCCN(CCOC)c1ccccc1C#N ZINC000042255702 174227128 /nfs/dbraw/zinc/22/71/28/174227128.db2.gz MBPQFMLWRNYPCU-UHFFFAOYSA-N 0 0 248.326 2.048 10 30 BEEERN COCCCNc1cc(C)ccc1C#N ZINC000051578889 174251431 /nfs/dbraw/zinc/25/14/31/174251431.db2.gz RMPCRQBENPXKTB-UHFFFAOYSA-N 0 0 204.273 2.315 10 30 BEEERN COCCCOc1ccc(C)cc1C#CCCO ZINC000037754243 174257141 /nfs/dbraw/zinc/25/71/41/174257141.db2.gz UCKFWZWBUWFXKX-UHFFFAOYSA-N 0 0 248.322 2.144 10 30 BEEERN COCCN[C@H](C#N)c1cccc(Cl)c1 ZINC000020173920 174339263 /nfs/dbraw/zinc/33/92/63/174339263.db2.gz JKSAOFHKYIDKDL-LLVKDONJSA-N 0 0 224.691 2.141 10 30 BEEERN COCCN[C@]1(C#N)CCCc2sccc21 ZINC000061329963 174340733 /nfs/dbraw/zinc/34/07/33/174340733.db2.gz DDIXBCGJRYZYEB-LBPRGKRZSA-N 0 0 236.340 2.039 10 30 BEEERN COc1cc([C@H](C#N)NC2CCCC2)ccc1O ZINC000037968493 175014915 /nfs/dbraw/zinc/01/49/15/175014915.db2.gz IAMVGIZXYHKEFZ-LBPRGKRZSA-N 0 0 246.310 2.498 10 30 BEEERN COc1cc2cc(C#N)cnc2cc1F ZINC000097758536 175026376 /nfs/dbraw/zinc/02/63/76/175026376.db2.gz SFDGJQNZGNUAQZ-UHFFFAOYSA-N 0 0 202.188 2.254 10 30 BEEERN COc1ccc(-c2cc(C#N)no2)c(OC)c1 ZINC000040175366 175030852 /nfs/dbraw/zinc/03/08/52/175030852.db2.gz FCNGDYLRLCKXKF-UHFFFAOYSA-N 0 0 230.223 2.230 10 30 BEEERN COc1ccc(-c2ccc(C#N)c(N)n2)cc1F ZINC000050871272 175032382 /nfs/dbraw/zinc/03/23/82/175032382.db2.gz MLPQUEVESOOBOI-UHFFFAOYSA-N 0 0 243.241 2.350 10 30 BEEERN COc1ccc(-c2coc(N)c2C#N)cc1 ZINC000033464735 175037090 /nfs/dbraw/zinc/03/70/90/175037090.db2.gz AURBIHFQFBMZRL-UHFFFAOYSA-N 0 0 214.224 2.409 10 30 BEEERN COc1ccc(/C=C\C(=O)/C=C/N(C)C)cc1 ZINC000033336744 175048533 /nfs/dbraw/zinc/04/85/33/175048533.db2.gz CBUFWNOYKAVVIK-BYVLWLTESA-N 0 0 231.295 2.353 10 30 BEEERN COc1ccc(C#N)c(Br)c1OC ZINC000107736307 175051123 /nfs/dbraw/zinc/05/11/23/175051123.db2.gz DPAGIKKNFRXJBE-UHFFFAOYSA-N 0 0 242.072 2.338 10 30 BEEERN COc1ccc(C(=O)CCC#N)cc1F ZINC000041215567 175053937 /nfs/dbraw/zinc/05/39/37/175053937.db2.gz NEOBJKALZFCGDL-UHFFFAOYSA-N 0 0 207.204 2.321 10 30 BEEERN COc1ccc(C(C)(C)C=O)cc1OC ZINC000041217197 175067587 /nfs/dbraw/zinc/06/75/87/175067587.db2.gz SCOOQTYFSKAAKE-UHFFFAOYSA-N 0 0 208.257 2.180 10 30 BEEERN COc1ccc(C)cc1NC(=O)[C@H](C)CC#N ZINC000049822421 175077886 /nfs/dbraw/zinc/07/78/86/175077886.db2.gz RSRNSOIBYFEFDO-SNVBAGLBSA-N 0 0 232.283 2.492 10 30 BEEERN COc1ccc(C=O)cc1CN(C)[C@@H](C)CC#N ZINC000063087579 175085971 /nfs/dbraw/zinc/08/59/71/175085971.db2.gz FDZMVOYBMADRJB-NSHDSACASA-N 0 0 246.310 2.242 10 30 BEEERN COc1ccc(CCN[C@H](C#N)C(C)C)cc1 ZINC000057520982 175091446 /nfs/dbraw/zinc/09/14/46/175091446.db2.gz STAFDWIFAMYCPX-CQSZACIVSA-N 0 0 232.327 2.375 10 30 BEEERN COc1ccc(Cl)c2c(N)c(C#N)cnc12 ZINC000050842408 175118795 /nfs/dbraw/zinc/11/87/95/175118795.db2.gz BOWBKVPKMIDCJU-UHFFFAOYSA-N 0 0 233.658 2.351 10 30 BEEERN COc1ccc(N(C)C[C@@H](C)C#N)cc1 ZINC000049812938 175136014 /nfs/dbraw/zinc/13/60/14/175136014.db2.gz MVPLHOODMHOOKD-JTQLQIEISA-N 0 0 204.273 2.291 10 30 BEEERN COc1ccc(NC(=O)[C@@H](C)CC#N)cc1 ZINC000049816598 175144932 /nfs/dbraw/zinc/14/49/32/175144932.db2.gz QUKNDFGNYMUULI-VIFPVBQESA-N 0 0 218.256 2.183 10 30 BEEERN COc1ccc(NC(=O)[C@H](C)CC#N)cc1 ZINC000049816599 175146379 /nfs/dbraw/zinc/14/63/79/175146379.db2.gz QUKNDFGNYMUULI-SECBINFHSA-N 0 0 218.256 2.183 10 30 BEEERN COc1ccc(NCCC#N)cc1OC ZINC000032010652 175150628 /nfs/dbraw/zinc/15/06/28/175150628.db2.gz HNFZQODSVCQBLI-UHFFFAOYSA-N 0 0 206.245 2.029 10 30 BEEERN COc1ccc(N[C@H](C#N)[C@@H]2CCOC2)cc1 ZINC000037936509 175154978 /nfs/dbraw/zinc/15/49/78/175154978.db2.gz IGLRQQPXTNRIQM-ZWNOBZJWSA-N 0 0 232.283 2.036 10 30 BEEERN COc1ccc(OC)c(C(=O)[C@H](C)CC#N)c1 ZINC000048259130 175164248 /nfs/dbraw/zinc/16/42/48/175164248.db2.gz PHOJUUPSUAXSME-SECBINFHSA-N 0 0 233.267 2.436 10 30 BEEERN COc1ccc(OC)c2nc(C#N)ccc12 ZINC000062571415 175171298 /nfs/dbraw/zinc/17/12/98/175171298.db2.gz PFZDRLHYNXLCIJ-UHFFFAOYSA-N 0 0 214.224 2.124 10 30 BEEERN COc1ccc2c(c1)CC[C@@](C)(C#N)C2=O ZINC000016974972 175209958 /nfs/dbraw/zinc/20/99/58/175209958.db2.gz QZPFTYMMXQGPHQ-ZDUSSCGKSA-N 0 0 215.252 2.354 10 30 BEEERN COc1ccc2cc([C@H](N)C#N)ccc2c1 ZINC000022171296 175224859 /nfs/dbraw/zinc/22/48/59/175224859.db2.gz FSLRFHSQYBCIIS-CYBMUJFWSA-N 0 0 212.252 2.372 10 30 BEEERN COc1ccc2ccccc2c1[C@H](N)C#N ZINC000037290110 175226680 /nfs/dbraw/zinc/22/66/80/175226680.db2.gz JCCJNRVAUNBBRG-LLVKDONJSA-N 0 0 212.252 2.372 10 30 BEEERN COc1cccc(CCN[C@H](C#N)C(C)C)c1 ZINC000057520972 175252349 /nfs/dbraw/zinc/25/23/49/175252349.db2.gz MATRFBRCNGCDJT-CQSZACIVSA-N 0 0 232.327 2.375 10 30 BEEERN COc1cccc(C[C@H](CC#N)COC(C)=O)c1 ZINC000036421738 175271514 /nfs/dbraw/zinc/27/15/14/175271514.db2.gz KZXGRAUCLFBPNH-ZDUSSCGKSA-N 0 0 247.294 2.331 10 30 in-vitro BEEERN COc1cccc(NC(=O)[C@@H](C)CC#N)c1 ZINC000049816596 175277136 /nfs/dbraw/zinc/27/71/36/175277136.db2.gz WFCYZUZNCMOBMM-VIFPVBQESA-N 0 0 218.256 2.183 10 30 BEEERN COc1cccc(NC2(C#N)CCOCC2)c1 ZINC000037937852 175278111 /nfs/dbraw/zinc/27/81/11/175278111.db2.gz WSTBOCVSQVAIQB-UHFFFAOYSA-N 0 0 232.283 2.180 10 30 BEEERN COc1cccc(O[C@H](C)C(=O)/C=C\N(C)C)c1 ZINC000033373120 175284874 /nfs/dbraw/zinc/28/48/74/175284874.db2.gz DULANNSDWJJJLF-TYBABMIJSA-N 0 0 249.310 2.107 10 30 BEEERN COc1cccc([C@@H](C#N)C(=O)C2CC2)c1 ZINC000040907837 175286068 /nfs/dbraw/zinc/28/60/68/175286068.db2.gz SUSJDKMKMAEJKD-GFCCVEGCSA-N 0 0 215.252 2.281 10 30 BEEERN COc1ccccc1C1=CC(=O)C[C@@](C)(O)C1 ZINC000040174874 175320422 /nfs/dbraw/zinc/32/04/22/175320422.db2.gz CZXLICIDLJEOHD-AWEZNQCLSA-N 0 0 232.279 2.193 10 30 BEEERN COc1ccccc1C1CCN(CC#N)CC1 ZINC000057518654 175320793 /nfs/dbraw/zinc/32/07/93/175320793.db2.gz OKLPUYYFOGCPJQ-UHFFFAOYSA-N 0 0 230.311 2.398 10 30 BEEERN COc1ccccc1CN[C@H]1CCC[C@@H]1C#N ZINC000054823108 175331794 /nfs/dbraw/zinc/33/17/94/175331794.db2.gz ZNZNMNSIUVTZTK-YPMHNXCESA-N 0 0 230.311 2.477 10 30 BEEERN COc1ccccc1C[C@](C)(C#N)N(C)C ZINC000037735071 175333831 /nfs/dbraw/zinc/33/38/31/175333831.db2.gz BIMQLGMKDYXWAI-CYBMUJFWSA-N 0 0 218.300 2.082 10 30 BEEERN COc1ccccc1N[C@@H](C#N)[C@H]1CCOC1 ZINC000037938678 175338881 /nfs/dbraw/zinc/33/88/81/175338881.db2.gz BNCPQJJKFWWMSJ-JQWIXIFHSA-N 0 0 232.283 2.036 10 30 BEEERN CS[C@@H]1CCCCN(c2cnc(C#N)cn2)C1 ZINC000127804537 175548358 /nfs/dbraw/zinc/54/83/58/175548358.db2.gz XDEZCDKKMZIMDR-LLVKDONJSA-N 0 0 248.355 2.070 10 30 BEEERN C[C@@H](C#N)CN(C)c1ccc(F)cc1N ZINC000042455089 175596433 /nfs/dbraw/zinc/59/64/33/175596433.db2.gz IKYIEVUPBHOBHJ-QMMMGPOBSA-N 0 0 207.252 2.004 10 30 BEEERN C[C@@H](C=O)c1ccc2c(c1)OCCCO2 ZINC000036157880 175637535 /nfs/dbraw/zinc/63/75/35/175637535.db2.gz ZFMCRGQSZXENOB-VIFPVBQESA-N 0 0 206.241 2.150 10 30 BEEERN C[C@@H](S)C1CN(C(=O)OC(C)(C)C)C1 ZINC000095089584 176006380 /nfs/dbraw/zinc/00/63/80/176006380.db2.gz KOHGBSJNSCZLSR-SSDOTTSWSA-N 0 0 217.334 2.172 10 30 BEEERN C[C@H]1Cc2[nH]c(=S)c(C#N)cc2C(=O)C1 ZINC000072416529 176050840 /nfs/dbraw/zinc/05/08/40/176050840.db2.gz IXIWYNPOSFUMFQ-LURJTMIESA-N 0 0 218.281 2.007 10 30 BEEERN C[C@@H]1CCCC[C@@H]1Oc1ccc(/C(N)=N/O)cn1 ZINC000019427341 176082313 /nfs/dbraw/zinc/08/23/13/176082313.db2.gz QVPKNDCBQIICTN-KOLCDFICSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@@H]1CCCN(CC(=O)c2ccc(C#N)cc2)C1 ZINC000009996508 176096386 /nfs/dbraw/zinc/09/63/86/176096386.db2.gz WXVJTVKAMASZMA-GFCCVEGCSA-N 0 0 242.322 2.473 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)c(F)c2)O1 ZINC000308122317 176221251 /nfs/dbraw/zinc/22/12/51/176221251.db2.gz RGQZOSOTQGSTIK-PRHODGIISA-N 0 0 248.257 2.203 10 30 BEEERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C#CCCO)c1 ZINC000037550055 176432697 /nfs/dbraw/zinc/43/26/97/176432697.db2.gz BGWKYIIEZDPELN-BXUZGUMPSA-N 0 0 243.306 2.015 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000149799204 176481457 /nfs/dbraw/zinc/48/14/57/176481457.db2.gz TZMSBAKTCOBXAJ-GZMMTYOYSA-N 0 0 247.254 2.056 10 30 BEEERN C[C@H](C#N)CN[C@H]1CCc2ccccc21 ZINC000035180686 176553564 /nfs/dbraw/zinc/55/35/64/176553564.db2.gz QLEQHHDUHFVTMC-MFKMUULPSA-N 0 0 200.285 2.423 10 30 BEEERN C[C@H](C#N)CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000050878116 176553848 /nfs/dbraw/zinc/55/38/48/176553848.db2.gz KHAJSOBXXLATLG-MNOVXSKESA-N 0 0 246.310 2.268 10 30 BEEERN C[C@H](Cn1cccn1)Nc1ccccc1C#N ZINC000044317508 176731433 /nfs/dbraw/zinc/73/14/33/176731433.db2.gz WEWPVKHSGHSURS-LLVKDONJSA-N 0 0 226.283 2.255 10 30 BEEERN C[C@H](O)[C@H](C)Oc1cc(Cl)ccc1C#N ZINC000129037083 177012601 /nfs/dbraw/zinc/01/26/01/177012601.db2.gz GGWVHHCNPSXDLG-YUMQZZPRSA-N 0 0 225.675 2.360 10 30 BEEERN C[C@H](c1ccc(N)cc1)N(C)CCC#N ZINC000040908753 177034696 /nfs/dbraw/zinc/03/46/96/177034696.db2.gz OPCLDHOXVHHUQM-SNVBAGLBSA-N 0 0 203.289 2.175 10 30 BEEERN C[C@H](c1ccccc1)[C@H](C#N)NC1CC1 ZINC000041046399 177039972 /nfs/dbraw/zinc/03/99/72/177039972.db2.gz PNPOCFZHPJDMMM-MFKMUULPSA-N 0 0 200.285 2.434 10 30 BEEERN C[C@H]1CCCC[C@H]1Oc1ncc(N)cc1C#N ZINC000037759308 177090756 /nfs/dbraw/zinc/09/07/56/177090756.db2.gz WVPSORDVZXODRL-JOYOIKCWSA-N 0 0 231.299 2.493 10 30 BEEERN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C#N)nc1 ZINC000115017327 177115573 /nfs/dbraw/zinc/11/55/73/177115573.db2.gz XNZZDGZRBMWVHU-PHIMTYICSA-N 0 0 243.310 2.356 10 30 BEEERN C[C@H]1CC[C@H](C(=O)Nc2cccc(C#N)c2)O1 ZINC000122243445 177197108 /nfs/dbraw/zinc/19/71/08/177197108.db2.gz AZEWBGWDEFMXOZ-JOYOIKCWSA-N 0 0 230.267 2.064 10 30 BEEERN C[C@H]1CN(CC#Cc2ccccc2)CCS1 ZINC000191994569 177242858 /nfs/dbraw/zinc/24/28/58/177242858.db2.gz FNOOJZSUMNROKX-ZDUSSCGKSA-N 0 0 231.364 2.475 10 30 BEEERN C[C@@H]1COC[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000121424267 177299589 /nfs/dbraw/zinc/29/95/89/177299589.db2.gz KDWMREKUSLIXTA-PHIMTYICSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@H]1C[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000087100101 177350618 /nfs/dbraw/zinc/35/06/18/177350618.db2.gz UFZIZJUZQNGSDK-XVKPBYJWSA-N 0 0 217.228 2.287 10 30 BEEERN C[C@H]1C[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000087100107 177386197 /nfs/dbraw/zinc/38/61/97/177386197.db2.gz UFZIZJUZQNGSDK-OIBJUYFYSA-N 0 0 217.228 2.287 10 30 BEEERN Cc1c(/C=C\C(=O)c2ccco2)cnn1C ZINC000035678647 177554831 /nfs/dbraw/zinc/55/48/31/177554831.db2.gz QMPCSTHWXJLCBM-WAYWQWQTSA-N 0 0 216.240 2.218 10 30 BEEERN Cc1c(C)n([C@H](C)Cn2cccn2)c(N)c1C#N ZINC000042542513 177555693 /nfs/dbraw/zinc/55/56/93/177555693.db2.gz KVHNEGRCZJDLHD-SECBINFHSA-N 0 0 243.314 2.017 10 30 BEEERN CCC[C@@H]1C[C@@H]1Nc1cc(C)ncc1C#N ZINC000399462539 266072495 /nfs/dbraw/zinc/07/24/95/266072495.db2.gz QNEVCMWRFQXLAA-MFKMUULPSA-N 0 0 215.300 2.284 10 30 BEEERN CC(=O)c1cccc(NC(=O)[C@@H](C)CC#N)c1 ZINC000049821616 487922156 /nfs/dbraw/zinc/92/21/56/487922156.db2.gz CLVFEFKYNOYAIR-VIFPVBQESA-N 0 0 230.267 2.377 10 30 BEEERN CC(=O)c1cccc(NC(=O)[C@H](C)CC#N)c1 ZINC000049821617 487921964 /nfs/dbraw/zinc/92/19/64/487921964.db2.gz CLVFEFKYNOYAIR-SECBINFHSA-N 0 0 230.267 2.377 10 30 BEEERN Cc1nn(C)c2c1nc(C#N)cc2C(C)C ZINC000146911948 487925210 /nfs/dbraw/zinc/92/52/10/487925210.db2.gz PTFBHJHCNAWTRB-UHFFFAOYSA-N 0 0 214.272 2.272 10 30 BEEERN CSCCCC(=O)N[C@](C)(C#N)C(C)C ZINC000134737530 323025532 /nfs/dbraw/zinc/02/55/32/323025532.db2.gz JOZMYEOIFPOQBB-LLVKDONJSA-N 0 0 228.361 2.184 10 30 BEEERN CCCn1cc(CN[C@@H](CC)CC#N)cn1 ZINC000135041315 323026634 /nfs/dbraw/zinc/02/66/34/323026634.db2.gz QTOLYRUNRUIOCQ-LBPRGKRZSA-N 0 0 220.320 2.075 10 30 BEEERN CCN(C(=O)[C@H](C)COC)c1ccc(C#N)cc1 ZINC000151864376 323031049 /nfs/dbraw/zinc/03/10/49/323031049.db2.gz BDIANQFVRLIQJZ-LLVKDONJSA-N 0 0 246.310 2.194 10 30 BEEERN CCC(C)(CC)NC(=O)c1ccc(C#N)cn1 ZINC000112827224 323172372 /nfs/dbraw/zinc/17/23/72/323172372.db2.gz ISOVYFRHHBIHCQ-UHFFFAOYSA-N 0 0 231.299 2.262 10 30 BEEERN CC[C@@]1(C#N)COc2cc(F)c(F)cc2O1 ZINC000536952497 323958764 /nfs/dbraw/zinc/95/87/64/323958764.db2.gz CSBFDRBFWQCSGN-LLVKDONJSA-N 0 0 225.194 2.408 10 30 BEEERN C=C(C)COCc1ccc(N)cc1OC ZINC000536960822 323974261 /nfs/dbraw/zinc/97/42/61/323974261.db2.gz ZRBCJJZBORFPOE-UHFFFAOYSA-N 0 0 207.273 2.370 10 30 BEEERN CCOc1c(F)cccc1C(=O)NC1(C#N)CC1 ZINC000125859921 324660310 /nfs/dbraw/zinc/66/03/10/324660310.db2.gz MNWJAPYREXEOOF-UHFFFAOYSA-N 0 0 248.257 2.010 10 30 BEEERN Cc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000129529298 324957612 /nfs/dbraw/zinc/95/76/12/324957612.db2.gz DSWFKVNVWAUPKC-GXFFZTMASA-N 0 0 244.294 2.373 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)O1 ZINC000130449168 325052982 /nfs/dbraw/zinc/05/29/82/325052982.db2.gz GCOMFFWVZYADEZ-UFBFGSQYSA-N 0 0 248.257 2.203 10 30 BEEERN CCn1ccnc1COc1ccc(C#N)cc1F ZINC000134319136 325354130 /nfs/dbraw/zinc/35/41/30/325354130.db2.gz PPCWDSDJUPSALG-UHFFFAOYSA-N 0 0 245.257 2.493 10 30 BEEERN C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000134930085 325383320 /nfs/dbraw/zinc/38/33/20/325383320.db2.gz ZRRLYHVRMHZHLG-GMXVVIOVSA-N 0 0 225.332 2.272 10 30 BEEERN C=CCCCN(C)C(=O)CC1CCOCC1 ZINC000135094063 325392751 /nfs/dbraw/zinc/39/27/51/325392751.db2.gz YANAIDHVACZRNK-UHFFFAOYSA-N 0 0 225.332 2.228 10 30 BEEERN CC#CCNC(=O)Nc1ccc(C)s1 ZINC000135370697 325409756 /nfs/dbraw/zinc/40/97/56/325409756.db2.gz MRCLQVQBVGKXQA-UHFFFAOYSA-N 0 0 208.286 2.201 10 30 BEEERN CC(=O)Nc1ccc2c(c1)[C@H]1O[C@H]1C(C)(C)O2 ZINC000039426582 490089757 /nfs/dbraw/zinc/08/97/57/490089757.db2.gz WXHBTGNSJDAHJQ-VXGBXAGGSA-N 0 0 233.267 2.256 10 30 BEEERN CCN(CC)OC(=O)c1ccc(F)cc1 ZINC000584646543 490183551 /nfs/dbraw/zinc/18/35/51/490183551.db2.gz NRWQXPAZUSCLNN-UHFFFAOYSA-N 0 0 211.236 2.239 10 30 BEEERN N#Cc1ccc(Oc2ccc(CCO)cc2)nc1 ZINC000157319975 490314009 /nfs/dbraw/zinc/31/40/09/490314009.db2.gz ABBQWURCNLUTBC-UHFFFAOYSA-N 0 0 240.262 2.280 10 30 BEEERN C=C[C@H](C)N1C(=S)N=NC1[C@@H]1C[C@@H]1C ZINC000757134553 582511319 /nfs/dbraw/zinc/51/13/19/582511319.db2.gz XZCZFKGNMLEPTG-BIIVOSGPSA-N 0 0 209.318 2.437 10 30 BEEERN C=C[C@@H](C)NC(=S)NCc1ccccc1F ZINC000757135552 582514460 /nfs/dbraw/zinc/51/44/60/582514460.db2.gz UYEQNSZLFGXLGQ-SECBINFHSA-N 0 0 238.331 2.364 10 30 BEEERN Cc1cc(C[C@@H](C#N)CO)ccc1Cl ZINC000757147544 582531939 /nfs/dbraw/zinc/53/19/39/582531939.db2.gz CNVYIEAWEQDNAD-JTQLQIEISA-N 0 0 209.676 2.323 10 30 BEEERN N#Cc1c(N)[nH]cc1-c1ccccc1F ZINC000238572517 582671684 /nfs/dbraw/zinc/67/16/84/582671684.db2.gz VCDWACXQCCDVEL-UHFFFAOYSA-N 0 0 201.204 2.275 10 30 BEEERN COc1oc(-c2ccccc2)nc1C#N ZINC000034622543 518172213 /nfs/dbraw/zinc/17/22/13/518172213.db2.gz DGHPUJRDHCLNLU-UHFFFAOYSA-N 0 0 200.197 2.222 10 30 BEEERN CC(C)(C(=O)N[C@@H]1CCC[C@H]1C#N)C(F)F ZINC000336624976 534362131 /nfs/dbraw/zinc/36/21/31/534362131.db2.gz OGARGOGWJQTSBG-JGVFFNPUSA-N 0 0 230.258 2.086 10 30 BEEERN CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C#N)C(F)F ZINC000336624974 534364141 /nfs/dbraw/zinc/36/41/41/534364141.db2.gz OGARGOGWJQTSBG-HTQZYQBOSA-N 0 0 230.258 2.086 10 30 BEEERN CC(C)(C)OC(=O)N1CCC[C@@](F)(C#N)C1 ZINC000107271921 518807118 /nfs/dbraw/zinc/80/71/18/518807118.db2.gz MJBOBUBUUWDLTB-LLVKDONJSA-N 0 0 228.267 2.249 10 30 BEEERN C=C(Cl)CN1CCO[C@@H](c2nccs2)C1 ZINC000111691596 534440679 /nfs/dbraw/zinc/44/06/79/534440679.db2.gz MCKOIPOVRAEGGM-SECBINFHSA-N 0 0 244.747 2.269 10 30 BEEERN C=CCCCN(C)[C@@H](C)c1nnc(C)o1 ZINC000121036774 534712296 /nfs/dbraw/zinc/71/22/96/534712296.db2.gz AUIUMILIONZZQT-VIFPVBQESA-N 0 0 209.293 2.337 10 30 BEEERN N#Cc1ccc(N2CCC[C@@]23C=CC(=O)C3)cc1 ZINC000498051092 534790963 /nfs/dbraw/zinc/79/09/63/534790963.db2.gz OYMDGYYWFWTOEV-HNNXBMFYSA-N 0 0 238.290 2.426 10 30 BEEERN Cc1cc(N)n2nc(C(F)(F)F)cc2c1C#N ZINC000072226093 525041281 /nfs/dbraw/zinc/04/12/81/525041281.db2.gz LHMCVJUBYYBDJE-UHFFFAOYSA-N 0 0 240.188 2.115 10 30 BEEERN C[C@@H]1C[C@H](C=O)CCN1C(=O)OC(C)(C)C ZINC000138412137 525405437 /nfs/dbraw/zinc/40/54/37/525405437.db2.gz LTVKOAXXMXYLCK-NXEZZACHSA-N 0 0 227.304 2.221 10 30 BEEERN CO[C@H](c1noc(CCCC#N)n1)C1CC1 ZINC000234760053 536678497 /nfs/dbraw/zinc/67/84/97/536678497.db2.gz KALOHYOLDQFAMF-JTQLQIEISA-N 0 0 221.260 2.013 10 30 BEEERN COC(=O)C[C@@]1([C@H]2CO2)C[C@H](C)C[C@H](C)C1 ZINC000675053740 566415286 /nfs/dbraw/zinc/41/52/86/566415286.db2.gz QMYHXJSHBZJCJA-LSCVPOLPSA-N 0 0 226.316 2.391 10 30 BEEERN Cc1cc(C#N)nc(N2CC[C@@H]3CCC[C@H]32)n1 ZINC000329088642 566481114 /nfs/dbraw/zinc/48/11/14/566481114.db2.gz HZVYPQAHAWQAJB-CMPLNLGQSA-N 0 0 228.299 2.036 10 30 BEEERN C=C(C)[C@@H]1Oc2ccc(C(C)=O)cc2[C@H]1O ZINC000004097835 560194984 /nfs/dbraw/zinc/19/49/84/560194984.db2.gz KWZYQHQNOWRQRG-OLZOCXBDSA-N 0 0 218.252 2.260 10 30 biogenic,in-vitro BEEERN C=C(C)[C@@H]1CCC2=CC(=O)[C@H](O)[C@@H](C)[C@@H]2C1 ZINC000015261693 560229921 /nfs/dbraw/zinc/22/99/21/560229921.db2.gz AUWWCTMETLOZSD-HEQLZXTPSA-N 0 0 220.312 2.485 10 30 biogenic,in-vitro BEEERN C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C[C@H]12)[C@@H](C)CC[C@H]3O ZINC000095911954 574417129 /nfs/dbraw/zinc/41/71/29/574417129.db2.gz FRNIMDDQCZHAFA-SCFTVSGOSA-N 0 0 248.322 2.211 10 30 endogenous,in-man BEEERN CCCCCCCC(=O)N[C@H](C)C(OC)OC ZINC000112837206 588818664 /nfs/dbraw/zinc/81/86/64/588818664.db2.gz CDQKKPQSEUPNFC-LLVKDONJSA-N 0 0 245.363 2.471 10 30 BEEERN C=C[C@H](C)NC(=S)N[C@H](C)C1CCC1 ZINC000757133171 582508992 /nfs/dbraw/zinc/50/89/92/582508992.db2.gz HCUBXNYTGYWAPJ-DTWKUNHWSA-N 0 0 212.362 2.214 10 30 BEEERN Cc1cc(C[C@](C)(O)C=O)ccc1Cl ZINC000757155895 582539667 /nfs/dbraw/zinc/53/96/67/582539667.db2.gz DNHJSPWMLYLQNX-NSHDSACASA-N 0 0 212.676 2.141 10 30 BEEERN OC1(C(F)(F)F)CCC(S)CC1 ZINC000757159440 582540312 /nfs/dbraw/zinc/54/03/12/582540312.db2.gz KNULOMPHZNUJFT-UHFFFAOYSA-N 0 0 200.225 2.152 10 30 BEEERN Cc1cc2ncc([C@@H](C)S)c(C)n2n1 ZINC000757159737 582540924 /nfs/dbraw/zinc/54/09/24/582540924.db2.gz HIBCVVZWDMQKTA-MRVPVSSYSA-N 0 0 207.302 2.337 10 30 BEEERN C[C@H](SCc1ccc(Cl)o1)[C@H](N)C#N ZINC000757165607 582547068 /nfs/dbraw/zinc/54/70/68/582547068.db2.gz MLBJRMUULFMRCZ-POYBYMJQSA-N 0 0 230.720 2.406 10 30 BEEERN N#C[C@@H]1O[C@]12CCC[C@H](C(F)(F)F)C2 ZINC000306673802 582654087 /nfs/dbraw/zinc/65/40/87/582654087.db2.gz ONQPGNJFADNWIU-FXQIFTODSA-N 0 0 205.179 2.400 10 30 BEEERN C[C@@H](CC#N)OC(=O)[C@H]1CC1(Cl)Cl ZINC000113696056 588850920 /nfs/dbraw/zinc/85/09/20/588850920.db2.gz JFCCLGJAIMGJGP-NTSWFWBYSA-N 0 0 222.071 2.026 10 30 BEEERN C=CC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000216337736 582959384 /nfs/dbraw/zinc/95/93/84/582959384.db2.gz PIMHNEBWYKVGLC-SNVBAGLBSA-N 0 0 239.315 2.389 10 30 BEEERN C[C@@H](OC(=O)Cc1ccoc1)C(C)(C)C#N ZINC000127174908 583379931 /nfs/dbraw/zinc/37/99/31/583379931.db2.gz FSCOLIUVRDKSLR-SECBINFHSA-N 0 0 221.256 2.304 10 30 BEEERN C[C@H]1C[C@@H]1NC(=O)Nc1cc(C#N)ccc1F ZINC000888356441 585012997 /nfs/dbraw/zinc/01/29/97/585012997.db2.gz NWQLEDWBODLZFX-XVKPBYJWSA-N 0 0 233.246 2.227 10 30 BEEERN CCCC1(CCC)O[C@@]1(Cl)C(=O)OC ZINC000232916410 585033053 /nfs/dbraw/zinc/03/30/53/585033053.db2.gz MROGTWIIBINLOB-JTQLQIEISA-N 0 0 220.696 2.464 10 30 BEEERN CCOC(=O)[C@@H]1CCC(=O)C=C1C(F)(F)F ZINC000106394240 585037285 /nfs/dbraw/zinc/03/72/85/585037285.db2.gz QBRWPPHCYXMELT-SSDOTTSWSA-N 0 0 236.189 2.017 10 30 BEEERN C=C[C@H](C)NC(=S)NC(CC)CC ZINC000757132330 586426164 /nfs/dbraw/zinc/42/61/64/586426164.db2.gz BBTCWCFMMHWZDG-QMMMGPOBSA-N 0 0 200.351 2.214 10 30 BEEERN C[C@@H](S)[C@H](C)NC(=O)OC(C)(C)C ZINC000757163414 586432523 /nfs/dbraw/zinc/43/25/23/586432523.db2.gz PNXJWXFJUFWWAI-NKWVEPMBSA-N 0 0 205.323 2.218 10 30 BEEERN C[C@H](S)[C@H](C)NC(=O)OC(C)(C)C ZINC000757163407 586432733 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QHEWGKUHCBJGIE-VIFPVBQESA-N 0 0 234.324 2.098 10 30 BEEERN O=[N+]([O-])c1ccc(NN=Cc2ccccn2)cc1 ZINC000016975236 342918560 /nfs/dbraw/zinc/91/85/60/342918560.db2.gz JXFHYUCJPGWCFI-ZROIWOOFSA-N 0 0 242.238 2.436 10 30 BEEERN O=CCCCCC(=O)OCc1ccccc1 ZINC000078739290 342947869 /nfs/dbraw/zinc/94/78/69/342947869.db2.gz POYUXRXQGVONHK-UHFFFAOYSA-N 0 0 220.268 2.489 10 30 BEEERN CCN(C)c1noc(-c2ccc(C#N)s2)n1 ZINC000234011204 342991721 /nfs/dbraw/zinc/99/17/21/342991721.db2.gz FSAXTRRRZWGVOD-UHFFFAOYSA-N 0 0 234.284 2.126 10 30 BEEERN COc1ccccc1Oc1cnc(C#N)nc1 ZINC000260686274 349737874 /nfs/dbraw/zinc/73/78/74/349737874.db2.gz TTZXFGSCYNQHNG-UHFFFAOYSA-N 0 0 227.223 2.149 10 30 BEEERN C=CCCOc1ccc(C(C)=O)cc1N ZINC000261027898 349791751 /nfs/dbraw/zinc/79/17/51/349791751.db2.gz IWWCQAAOGGPWTC-UHFFFAOYSA-N 0 0 205.257 2.426 10 30 BEEERN C[C@@](O)(c1ccc(C#N)cc1)C(F)(F)F ZINC000043368045 343058255 /nfs/dbraw/zinc/05/82/55/343058255.db2.gz OFRWBUUAGKRPKO-SECBINFHSA-N 0 0 215.174 2.328 10 30 BEEERN CC[C@H]1[C@@H](C)CCN1C(=NC#N)SC ZINC000384309970 343078783 /nfs/dbraw/zinc/07/87/83/343078783.db2.gz FEKBKBXACYUBBO-IUCAKERBSA-N 0 0 211.334 2.307 10 30 BEEERN COc1ccc(C#C[C@@H]([NH3+])C(C)C)s1 ZINC000306660782 362020732 /nfs/dbraw/zinc/02/07/32/362020732.db2.gz NGHHNAMHHYUCFN-SNVBAGLBSA-N 0 0 209.314 2.092 10 30 BEEERN O=C(C1=COCC1)[C@@H]1CCC(F)(F)C1 ZINC000306663736 362020880 /nfs/dbraw/zinc/02/08/80/362020880.db2.gz WEPLFRUJAYGBTE-SSDOTTSWSA-N 0 0 202.200 2.295 10 30 BEEERN C#C[C@@]12CC[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000584883779 343087026 /nfs/dbraw/zinc/08/70/26/343087026.db2.gz IKFCQDLWSRZTHV-MFKMUULPSA-N 0 0 221.300 2.267 10 30 BEEERN CCc1cc(N[C@H]2CCC[C@@H]2C#N)ncn1 ZINC000309951456 343104528 /nfs/dbraw/zinc/10/45/28/343104528.db2.gz GFTQGKGGGURCEO-KOLCDFICSA-N 0 0 216.288 2.143 10 30 BEEERN COC1=CC(=O)c2c(C)ccc(C)c2C1=O ZINC000082041981 343120263 /nfs/dbraw/zinc/12/02/63/343120263.db2.gz OGEJRGRNEYCVIU-UHFFFAOYSA-N 0 0 216.236 2.213 10 30 BEEERN C[C@H](C#N)Oc1cccc(Cl)c1C=O ZINC000043516110 343115931 /nfs/dbraw/zinc/11/59/31/343115931.db2.gz VQCZFEOZABRZFM-SSDOTTSWSA-N 0 0 209.632 2.443 10 30 BEEERN Cc1nc(C)c([C@H](C)N[C@@H](C)C#N)s1 ZINC000043515266 343116845 /nfs/dbraw/zinc/11/68/45/343116845.db2.gz OEYXIXGUJODAEP-BQBZGAKWSA-N 0 0 209.318 2.323 10 30 BEEERN N#Cc1nc(Br)c2c(F)cccn12 ZINC000260948818 343131504 /nfs/dbraw/zinc/13/15/04/343131504.db2.gz OZFIRJXREPNZFZ-UHFFFAOYSA-N 0 0 240.035 2.108 10 30 BEEERN CC[C@H](C#N)N1CCc2sccc2C1 ZINC000043556021 343140649 /nfs/dbraw/zinc/14/06/49/343140649.db2.gz OMOIQRAXVKFVKS-SNVBAGLBSA-N 0 0 206.314 2.408 10 30 BEEERN COc1ccc(Cl)cc1C#CCCO ZINC000037470439 343144164 /nfs/dbraw/zinc/14/41/64/343144164.db2.gz IZULBUBCGKUBCU-UHFFFAOYSA-N 0 0 210.660 2.083 10 30 BEEERN Cc1ccc([C@@H](C)NC(=O)C(C)(C)C#N)o1 ZINC000044752701 136273134 /nfs/dbraw/zinc/27/31/34/136273134.db2.gz DCUWZHWSBYFRRD-SECBINFHSA-N 0 0 220.272 2.315 10 30 BEEERN C=CCO[C@@H](C)NC(=O)OC(C)(C)C ZINC000238425623 343257278 /nfs/dbraw/zinc/25/72/78/343257278.db2.gz MRBJYLOMMIXLRJ-QMMMGPOBSA-N 0 0 201.266 2.060 10 30 BEEERN C[C@@H](CC#N)NCc1csc([N+](=O)[O-])c1 ZINC000134970651 343325519 /nfs/dbraw/zinc/32/55/19/343325519.db2.gz CCJHCKXBTSVDBU-ZETCQYMHSA-N 0 0 225.273 2.048 10 30 BEEERN N#CCCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000408371364 133478231 /nfs/dbraw/zinc/47/82/31/133478231.db2.gz WWYWDSDDALYIEA-NEPJUHHUSA-N 0 0 220.316 2.233 10 30 BEEERN CCOc1nc(Cl)c(Cl)nc1C#N ZINC000039100373 343383625 /nfs/dbraw/zinc/38/36/25/343383625.db2.gz NADXLOBFNKUWTJ-UHFFFAOYSA-N 0 0 218.043 2.054 10 30 BEEERN C=CCN(Cc1ccccc1)C(=O)[C@@H](C)COC ZINC000103373838 136332367 /nfs/dbraw/zinc/33/23/67/136332367.db2.gz VKHJPQSNKDVXOC-ZDUSSCGKSA-N 0 0 247.338 2.484 10 30 BEEERN C[C@H]1CC[C@@H](C(=O)Nc2cn(C)nc2C2CC2)O1 ZINC000329617172 136367479 /nfs/dbraw/zinc/36/74/79/136367479.db2.gz LQDARNPDBSRUIX-KWQFWETISA-N 0 0 249.314 2.453 10 30 BEEERN Cc1ccc(CN(C)C(=O)C(C)(C)C#N)o1 ZINC000044318168 178539939 /nfs/dbraw/zinc/53/99/39/178539939.db2.gz MPFYGKVGUMVINA-UHFFFAOYSA-N 0 0 220.272 2.096 10 30 BEEERN COc1cc(OC)cc(C2(C=O)CCC2)c1 ZINC000084401967 343529454 /nfs/dbraw/zinc/52/94/54/343529454.db2.gz TVPWIGWYBHBFBP-UHFFFAOYSA-N 0 0 220.268 2.324 10 30 BEEERN C#CCN[C@H](C#N)c1cccc(OC(C)C)c1 ZINC000051963180 166192337 /nfs/dbraw/zinc/19/23/37/166192337.db2.gz PHVSSXYWZNQPQP-CQSZACIVSA-N 0 0 228.295 2.261 10 30 BEEERN CSCCCOc1cccc(N)c1C#N ZINC000114241619 343678113 /nfs/dbraw/zinc/67/81/13/343678113.db2.gz KNLJBIFATHTFFG-UHFFFAOYSA-N 0 0 222.313 2.272 10 30 BEEERN C[C@@](N)(C#N)c1cccc(C(F)(F)F)c1 ZINC000022175590 343719842 /nfs/dbraw/zinc/71/98/42/343719842.db2.gz QKMQKDXDZBHTHP-SECBINFHSA-N 0 0 214.190 2.403 10 30 BEEERN CCOC(=O)C#Cc1ccc2ncccc2c1 ZINC000157735466 343791244 /nfs/dbraw/zinc/79/12/44/343791244.db2.gz NPRINYBHIRFPMY-UHFFFAOYSA-N 0 0 225.247 2.149 10 30 BEEERN N#CCC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000409430209 343807631 /nfs/dbraw/zinc/80/76/31/343807631.db2.gz UWWCIDCUKODKHE-GFCCVEGCSA-N 0 0 229.283 2.049 10 30 BEEERN Cc1cc(-c2ccsc2)nn1CC#N ZINC000409439923 343853630 /nfs/dbraw/zinc/85/36/30/343853630.db2.gz KWDPAPPRRXJKMU-UHFFFAOYSA-N 0 0 203.270 2.444 10 30 BEEERN C#CCn1cc(C(=O)OC)c(-c2ccsc2)n1 ZINC000409436919 343841833 /nfs/dbraw/zinc/84/18/33/343841833.db2.gz CGOVHLHEQBEERR-UHFFFAOYSA-N 0 0 246.291 2.031 10 30 BEEERN Cn1cc(CC#N)c(-c2ccsc2)n1 ZINC000409437757 343848969 /nfs/dbraw/zinc/84/89/69/343848969.db2.gz ILBMOSPXQZSCBP-UHFFFAOYSA-N 0 0 203.270 2.215 10 30 BEEERN C#CCn1nc(-c2ccccn2)c2c1CCC2 ZINC000409440426 343852256 /nfs/dbraw/zinc/85/22/56/343852256.db2.gz TURQKCBGYSGGDH-UHFFFAOYSA-N 0 0 223.279 2.067 10 30 BEEERN Cc1ccc(C#N)c(N2C[C@@H]3CCC[C@H]32)n1 ZINC000334397311 343878782 /nfs/dbraw/zinc/87/87/82/343878782.db2.gz CPYDIHTUWBTAQW-NWDGAFQWSA-N 0 0 213.284 2.250 10 30 BEEERN OCCCC#Cc1cccc(C(F)(F)F)n1 ZINC000585145032 343880321 /nfs/dbraw/zinc/88/03/21/343880321.db2.gz UBFAXNXKNPCECF-UHFFFAOYSA-N 0 0 229.201 2.224 10 30 BEEERN COCC#Cc1nc2ccccc2s1 ZINC000585145423 343881146 /nfs/dbraw/zinc/88/11/46/343881146.db2.gz TYZNLKGKRGVYFQ-UHFFFAOYSA-N 0 0 203.266 2.294 10 30 BEEERN C[C@H](C#N)Oc1cc(N)cc(Br)c1 ZINC000235254927 343883905 /nfs/dbraw/zinc/88/39/05/343883905.db2.gz CPJHNKXEDWQQOA-ZCFIWIBFSA-N 0 0 241.088 2.322 10 30 BEEERN CCn1nc(-c2ccncc2)cc1CC#N ZINC000409442945 343865108 /nfs/dbraw/zinc/86/51/08/343865108.db2.gz DNFRMYJZMBHENV-UHFFFAOYSA-N 0 0 212.256 2.031 10 30 BEEERN C#CCn1nc(C(F)(F)F)cc1CC ZINC000409443165 343866285 /nfs/dbraw/zinc/86/62/85/343866285.db2.gz ICBNEMFRCYKVFM-UHFFFAOYSA-N 0 0 202.179 2.098 10 30 BEEERN C[C@@H]1CCC[C@H](NC(=O)C#CBr)C1 ZINC000307530805 343945053 /nfs/dbraw/zinc/94/50/53/343945053.db2.gz RVLPSWJWWGPSHN-BDAKNGLRSA-N 0 0 244.132 2.037 10 30 BEEERN C[C@@H](C#N)Cn1cc(C(F)(F)F)cn1 ZINC000070018920 343946813 /nfs/dbraw/zinc/94/68/13/343946813.db2.gz QTEGSENPNAOKRU-LURJTMIESA-N 0 0 203.167 2.062 10 30 BEEERN COc1cnc(CC#N)c(OC(F)(F)F)c1 ZINC000309583149 343933328 /nfs/dbraw/zinc/93/33/28/343933328.db2.gz UBZNHRSVPVLHBN-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN CC(C)C(=O)N(CC#N)Cc1ccccc1 ZINC000070262965 343950191 /nfs/dbraw/zinc/95/01/91/343950191.db2.gz ZDUFLUAMZXWNII-UHFFFAOYSA-N 0 0 216.284 2.195 10 30 BEEERN Cn1cc(C#N)cc1-c1nc([C@@H]2CC23CC3)no1 ZINC000335163870 343965858 /nfs/dbraw/zinc/96/58/58/343965858.db2.gz MDQFTJYCIGRGNW-VIFPVBQESA-N 0 0 240.266 2.214 10 30 BEEERN CC(=NNc1nc(C)cs1)c1ccccn1 ZINC000096914499 344073003 /nfs/dbraw/zinc/07/30/03/344073003.db2.gz FTIBVIJLMWPTEQ-NTEUORMPSA-N 0 0 232.312 2.105 10 30 BEEERN CC(C)Cc1ccc(CC(=O)N(C)O)cc1 ZINC000026248676 344132051 /nfs/dbraw/zinc/13/20/51/344132051.db2.gz JGCRJXZVXWNIEL-UHFFFAOYSA-N 0 0 221.300 2.275 10 30 BEEERN N#Cc1snc(Cl)c1N1CCCC1 ZINC000306477662 344203342 /nfs/dbraw/zinc/20/33/42/344203342.db2.gz ALYPJVLSGPIROV-UHFFFAOYSA-N 0 0 213.693 2.268 10 30 BEEERN C#CC(C)(C)Oc1ncncc1Br ZINC000165970474 344255220 /nfs/dbraw/zinc/25/52/20/344255220.db2.gz MFPQPHDCOAQCSJ-UHFFFAOYSA-N 0 0 241.088 2.030 10 30 BEEERN C=C(C)C(=O)c1cccc2c1OCCN2 ZINC000135435851 344275246 /nfs/dbraw/zinc/27/52/46/344275246.db2.gz YSVLPWIJOKQGDK-UHFFFAOYSA-N 0 0 203.241 2.250 10 30 BEEERN C[C@H](C#N)CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247461945 344277113 /nfs/dbraw/zinc/27/71/13/344277113.db2.gz RBOBMUVXOKOZSA-WXHSDQCUSA-N 0 0 234.343 2.479 10 30 BEEERN C[C@H]1CCCC[C@]1(O)C#CBr ZINC000142493930 344294530 /nfs/dbraw/zinc/29/45/30/344294530.db2.gz MMPXWGDMMTXCNH-IUCAKERBSA-N 0 0 217.106 2.283 10 30 BEEERN CCOc1cc(C#N)cc(OCC)c1O ZINC000238260418 344353073 /nfs/dbraw/zinc/35/30/73/344353073.db2.gz DDHQUECHKKWGIO-UHFFFAOYSA-N 0 0 207.229 2.061 10 30 BEEERN COC(=O)CC[C@](C)(C#N)c1cccc(OC)c1 ZINC000139628456 344423962 /nfs/dbraw/zinc/42/39/62/344423962.db2.gz QEFPUEZVITZXKB-CQSZACIVSA-N 0 0 247.294 2.430 10 30 BEEERN C=C1C(=O)O[C@H]2[C@@H]1CC1=C(C)CC[C@@H](O)[C@H]1[C@H]2C ZINC000299817439 344453447 /nfs/dbraw/zinc/45/34/47/344453447.db2.gz CHKRTCRFGDZZPE-JTDRMQGGSA-N 0 0 248.322 2.211 10 30 biogenic BEEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccncc1 ZINC000054825125 344457173 /nfs/dbraw/zinc/45/71/73/344457173.db2.gz UMIQZBPBIXHREY-CYZMBNFOSA-N 0 0 215.300 2.424 10 30 BEEERN N#Cc1cn(CCF)nc1-c1ccsc1 ZINC000409439037 344461219 /nfs/dbraw/zinc/46/12/19/344461219.db2.gz NSUOSDQKDBCPBD-UHFFFAOYSA-N 0 0 221.260 2.453 10 30 BEEERN COc1ncccc1CN[C@H]1CCCC[C@@H]1C#N ZINC000054825484 344471952 /nfs/dbraw/zinc/47/19/52/344471952.db2.gz PZNCQUQSWKXAOH-YPMHNXCESA-N 0 0 245.326 2.262 10 30 BEEERN COc1ccc(Br)c(CC#N)c1O ZINC000217114767 344516087 /nfs/dbraw/zinc/51/60/87/344516087.db2.gz BCCZDCZXYXRTHD-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN CC(C)[C@H](C)NC(=O)C1(C#N)CCCC1 ZINC000044300100 344538778 /nfs/dbraw/zinc/53/87/78/344538778.db2.gz ZDAUKGLKXFMDAY-JTQLQIEISA-N 0 0 208.305 2.231 10 30 BEEERN C#C[C@H](NN)c1c(Cl)cccc1Cl ZINC000158096398 344542004 /nfs/dbraw/zinc/54/20/04/344542004.db2.gz SZAISCULADUUEJ-QMMMGPOBSA-N 0 0 215.083 2.131 10 30 BEEERN C#CCC(=O)[C@H]1Cc2ccccc2S1 ZINC000158220157 344565910 /nfs/dbraw/zinc/56/59/10/344565910.db2.gz KYOUGWAEJHIHAH-GFCCVEGCSA-N 0 0 202.278 2.296 10 30 BEEERN N#CCc1ccc(C(F)(F)F)c([N+](=O)[O-])n1 ZINC000396124284 344609370 /nfs/dbraw/zinc/60/93/70/344609370.db2.gz ZZPJDGXXSIDWSK-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN COc1cnc(C(F)(F)F)c(CC#N)c1 ZINC000396104667 344603428 /nfs/dbraw/zinc/60/34/28/344603428.db2.gz MENUJACLQOIXID-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN COc1cc(CC#N)cnc1C(F)(F)F ZINC000396106495 344603447 /nfs/dbraw/zinc/60/34/47/344603447.db2.gz QXIPXXQVXCAYMQ-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000396120883 344608513 /nfs/dbraw/zinc/60/85/13/344608513.db2.gz OPCIWLIFHCFENH-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN CC(C)Cn1nc(-c2cccnc2)cc1C#N ZINC000259430453 344645251 /nfs/dbraw/zinc/64/52/51/344645251.db2.gz UDFCPTVLJGKULD-UHFFFAOYSA-N 0 0 226.283 2.473 10 30 BEEERN COCc1nc(Cl)cc(Cl)c1C#N ZINC000307015501 344683741 /nfs/dbraw/zinc/68/37/41/344683741.db2.gz UIAUNUUBBGZFQS-UHFFFAOYSA-N 0 0 217.055 2.406 10 30 BEEERN C#CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050522627 344706421 /nfs/dbraw/zinc/70/64/21/344706421.db2.gz PXXRXTAJXJQHMU-UHFFFAOYSA-N 0 0 210.620 2.293 10 30 BEEERN CC(C)CC(=O)N[C@@H]1CCCC[C@@H]1C#N ZINC000260115710 344710221 /nfs/dbraw/zinc/71/02/21/344710221.db2.gz RFOUPEVBNGDTGJ-GHMZBOCLSA-N 0 0 208.305 2.231 10 30 BEEERN Cc1nn([C@@H](C)C#N)c(C)c1Br ZINC000050593254 344717109 /nfs/dbraw/zinc/71/71/09/344717109.db2.gz IKNAUWFMXHSANW-YFKPBYRVSA-N 0 0 228.093 2.347 10 30 BEEERN CS(=O)(=O)O[C@H]1CCCCc2ccccc21 ZINC000166197096 344780626 /nfs/dbraw/zinc/78/06/26/344780626.db2.gz POLJZVUICTZPQJ-LBPRGKRZSA-N 0 0 240.324 2.430 10 30 BEEERN Cc1ccc(NC(=O)CC2CC2)cc1C#CCO ZINC000104053678 178722309 /nfs/dbraw/zinc/72/23/09/178722309.db2.gz FJGGZBHVLQYREO-UHFFFAOYSA-N 0 0 243.306 2.077 10 30 BEEERN Cc1ccc(C)c([C@H](C)OS(C)(=O)=O)c1 ZINC000166204064 344788164 /nfs/dbraw/zinc/78/81/64/344788164.db2.gz AACZMBKXRRRJIW-JTQLQIEISA-N 0 0 228.313 2.341 10 30 BEEERN COc1cc(C)c(Br)c(C#N)c1N ZINC000135616214 344804145 /nfs/dbraw/zinc/80/41/45/344804145.db2.gz SADRWUFDIZURGZ-UHFFFAOYSA-N 0 0 241.088 2.220 10 30 BEEERN CC(C)[C@@H]1CCCC[C@@H]1OS(C)(=O)=O ZINC000166239974 344811279 /nfs/dbraw/zinc/81/12/79/344811279.db2.gz IJVZBMSIKSXOED-UWVGGRQHSA-N 0 0 220.334 2.177 10 30 BEEERN COC(=O)C[C@]1([C@@H]2CO2)CC[C@H](C)[C@@H](C)C1 ZINC000675053232 537864486 /nfs/dbraw/zinc/86/44/86/537864486.db2.gz LZZVMCVPJCYUFX-ZPFDUUQYSA-N 0 0 226.316 2.391 10 30 BEEERN C#C[C@@H](C)Oc1ccncc1Br ZINC000235229541 344849681 /nfs/dbraw/zinc/84/96/81/344849681.db2.gz KDBVODOCORPKAU-SSDOTTSWSA-N 0 0 226.073 2.245 10 30 BEEERN C#C[C@@H](C)Oc1nccc(C#N)c1Cl ZINC000235238346 344852959 /nfs/dbraw/zinc/85/29/59/344852959.db2.gz DWMCXBCXBXQKSI-SSDOTTSWSA-N 0 0 206.632 2.007 10 30 BEEERN C[C@@H]1SCC[C@@]1(Br)C#N ZINC000235328514 344885275 /nfs/dbraw/zinc/88/52/75/344885275.db2.gz PTJKKDHIRTWXEG-NTSWFWBYSA-N 0 0 206.108 2.169 10 30 BEEERN CCCCC[C@]1(C)O[C@@H]1C(=O)OCC ZINC000087649334 537869622 /nfs/dbraw/zinc/86/96/22/537869622.db2.gz FDBNVPHYLGHYHH-KOLCDFICSA-N 0 0 200.278 2.287 10 30 BEEERN CCCCC[C@@]1(C)O[C@]1(C)C(=O)OC ZINC000087649335 537870149 /nfs/dbraw/zinc/87/01/49/537870149.db2.gz BMHFARVKPGLPEL-GHMZBOCLSA-N 0 0 200.278 2.287 10 30 BEEERN C[C@@H]1CS[C@@H](c2ccccc2C#N)N1 ZINC000235358404 344892338 /nfs/dbraw/zinc/89/23/38/344892338.db2.gz QGCRXOFRFXVEEW-KCJUWKMLSA-N 0 0 204.298 2.282 10 30 BEEERN C=CCN1CC[C@H](C(=O)OC)c2ccccc21 ZINC000120622986 344896298 /nfs/dbraw/zinc/89/62/98/344896298.db2.gz VPAGKLRBVYHOPU-LBPRGKRZSA-N 0 0 231.295 2.339 10 30 BEEERN CC1(C)CCc2nc(N)c(C#N)cc2C1 ZINC000070623299 537873384 /nfs/dbraw/zinc/87/33/84/537873384.db2.gz CZOBCLVETOMLTB-UHFFFAOYSA-N 0 0 201.273 2.050 10 30 BEEERN C#C[C@H](C)Oc1nc(Cl)ncc1Cl ZINC000235534806 344932989 /nfs/dbraw/zinc/93/29/89/344932989.db2.gz OAVMAJYTSOTWBU-YFKPBYRVSA-N 0 0 217.055 2.184 10 30 BEEERN C#C[C@H](C)Oc1c(F)cc(C=O)cc1F ZINC000235544622 344937346 /nfs/dbraw/zinc/93/73/46/344937346.db2.gz HMFPWCIFSNXHCZ-ZETCQYMHSA-N 0 0 210.179 2.178 10 30 BEEERN C[C@H](S)C(=O)NC1(C)CCCCC1 ZINC000235552550 344939114 /nfs/dbraw/zinc/93/91/14/344939114.db2.gz BOYFNJCPBLIQBG-QMMMGPOBSA-N 0 0 201.335 2.144 10 30 BEEERN Cc1cc(NC(=O)[C@H](C)S)ccc1F ZINC000235564225 344944380 /nfs/dbraw/zinc/94/43/80/344944380.db2.gz XFSKRNRTEKYTCY-ZETCQYMHSA-N 0 0 213.277 2.391 10 30 BEEERN N#CCc1cccc(O)c1OC(F)(F)F ZINC000238723997 344989843 /nfs/dbraw/zinc/98/98/43/344989843.db2.gz AVIXYALBLVSKTN-UHFFFAOYSA-N 0 0 217.146 2.357 10 30 BEEERN Cc1c(C#N)ccnc1OC(F)(F)F ZINC000238549299 345075363 /nfs/dbraw/zinc/07/53/63/345075363.db2.gz PGJQNQWNENGRJW-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#Cc1cccc(O)c1OC(F)(F)F ZINC000238723390 345120580 /nfs/dbraw/zinc/12/05/80/345120580.db2.gz HLYBXZLHRWNZAP-UHFFFAOYSA-N 0 0 203.119 2.162 10 30 BEEERN N#CCc1ccc(C(F)(F)F)c(O)c1 ZINC000238684589 345109209 /nfs/dbraw/zinc/10/92/09/345109209.db2.gz RUEWNVBXZLNPBE-UHFFFAOYSA-N 0 0 201.147 2.477 10 30 BEEERN C=C(Br)CNc1cn(C)nc1C ZINC000227482097 345256828 /nfs/dbraw/zinc/25/68/28/345256828.db2.gz XMJCSKZLBNECCB-UHFFFAOYSA-N 0 0 230.109 2.049 10 30 BEEERN COC(=O)C#Cc1cccc(C)c1Cl ZINC000129175586 345251863 /nfs/dbraw/zinc/25/18/63/345251863.db2.gz AWTLOKAVSNAAAY-UHFFFAOYSA-N 0 0 208.644 2.173 10 30 BEEERN CC[C@@H]1C[C@](Br)(C#N)CCO1 ZINC000127681572 345212830 /nfs/dbraw/zinc/21/28/30/345212830.db2.gz ADWWTOPMZQVDFP-SFYZADRCSA-N 0 0 218.094 2.233 10 30 BEEERN CC1(C)SC[C@@H]1NC(=O)[C@@H]1CCCC(=O)N1 ZINC000328693697 537894789 /nfs/dbraw/zinc/89/47/89/537894789.db2.gz JQZNBALCFVVISU-YUMQZZPRSA-N 0 0 242.344 2.346 10 30 BEEERN C=CCc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000667946074 537893205 /nfs/dbraw/zinc/89/32/05/537893205.db2.gz RDDYZJFMJNFWSK-UHFFFAOYSA-N 0 0 221.212 2.110 10 30 BEEERN N#CC1(C(=O)N2C[C@H]3CCCCC[C@H]32)CCC1 ZINC000378070786 345360485 /nfs/dbraw/zinc/36/04/85/345360485.db2.gz BGSKQHCTPHTWMU-VXGBXAGGSA-N 0 0 232.327 2.471 10 30 BEEERN C=CCCCN(C)C(=O)CCc1cnn(C)c1C ZINC000135271340 345436934 /nfs/dbraw/zinc/43/69/34/345436934.db2.gz ZANNGKPQGMVWPI-UHFFFAOYSA-N 0 0 249.358 2.086 10 30 BEEERN CC(=NNC(N)=S)c1cccc2ccccc21 ZINC000252446820 345519411 /nfs/dbraw/zinc/51/94/11/345519411.db2.gz BIKCNDWSGCWWET-UHFFFAOYSA-N 0 0 243.335 2.397 10 30 BEEERN CCC[C@H](CC(=O)OC)Nc1ncccc1C#N ZINC000092946599 345648982 /nfs/dbraw/zinc/64/89/82/345648982.db2.gz HZXKTLYSLYROTF-LLVKDONJSA-N 0 0 247.298 2.097 10 30 BEEERN N#Cc1ccnc(SCC(F)(F)F)n1 ZINC000112955917 345753024 /nfs/dbraw/zinc/75/30/24/345753024.db2.gz LSZBJEIIGZLTNM-UHFFFAOYSA-N 0 0 219.191 2.003 10 30 BEEERN CCOC(=O)C(C)(C)c1ccc(C#N)c(OC)c1 ZINC000113484836 345754452 /nfs/dbraw/zinc/75/44/52/345754452.db2.gz PHOIGLOQPXWGOU-UHFFFAOYSA-N 0 0 247.294 2.408 10 30 BEEERN COc1cc(C#N)cc(OC)c1C1CCOCC1 ZINC000114021637 345755564 /nfs/dbraw/zinc/75/55/64/345755564.db2.gz YEQSPTHQUMEHAI-UHFFFAOYSA-N 0 0 247.294 2.469 10 30 BEEERN CC(C)(C#N)c1cc(F)c2c(cc[nH]c2=O)c1 ZINC000114211951 345755574 /nfs/dbraw/zinc/75/55/74/345755574.db2.gz DWFNYLCVMNBPBL-UHFFFAOYSA-N 0 0 230.242 2.468 10 30 BEEERN O[C@H](C#Cc1ccncc1)c1ccccc1 ZINC000034061776 345813039 /nfs/dbraw/zinc/81/30/39/345813039.db2.gz VODFCOSTDUVEIF-CQSZACIVSA-N 0 0 209.248 2.167 10 30 BEEERN COc1ccc(OC)c([C@@H](C)N/C(C)=N\C#N)c1 ZINC000033979331 345814762 /nfs/dbraw/zinc/81/47/62/345814762.db2.gz IKYUCUAAHKVVLP-SECBINFHSA-N 0 0 247.298 2.254 10 30 BEEERN N#CCNc1ccc(Br)c(C#N)c1 ZINC000216359181 345761337 /nfs/dbraw/zinc/76/13/37/345761337.db2.gz VGGXIPZUYZZIKZ-UHFFFAOYSA-N 0 0 236.072 2.256 10 30 BEEERN OCCCC#Cc1ccc2ncccc2c1 ZINC000163527113 345770968 /nfs/dbraw/zinc/77/09/68/345770968.db2.gz AXGSZEHEDWMRBF-UHFFFAOYSA-N 0 0 211.264 2.359 10 30 BEEERN OCCCC#Cc1cccc2ncccc12 ZINC000163527578 345770998 /nfs/dbraw/zinc/77/09/98/345770998.db2.gz BKHXBXMJBFAKIV-UHFFFAOYSA-N 0 0 211.264 2.359 10 30 BEEERN C=C(Br)COC1CCC(O)CC1 ZINC000164216278 345780166 /nfs/dbraw/zinc/78/01/66/345780166.db2.gz FWYXCFJBHJIUTP-UHFFFAOYSA-N 0 0 235.121 2.215 10 30 BEEERN C#CCNc1cc(C)c(Br)cn1 ZINC000163931146 345781118 /nfs/dbraw/zinc/78/11/18/345781118.db2.gz TYJFXKIVLDFFCE-UHFFFAOYSA-N 0 0 225.089 2.198 10 30 BEEERN C=CCCn1cnc2cc(CO)ccc21 ZINC000219961676 345860128 /nfs/dbraw/zinc/86/01/28/345860128.db2.gz XQLKWBZWOJXGLR-UHFFFAOYSA-N 0 0 202.257 2.105 10 30 BEEERN C[C@H](c1cccc2ncccc21)[C@@H](N)C#N ZINC000142214605 345862453 /nfs/dbraw/zinc/86/24/53/345862453.db2.gz UPYLDIMOPBXFJE-SKDRFNHKSA-N 0 0 211.268 2.189 10 30 BEEERN CC1(C)O[C@H]1COC(=O)c1ccccc1 ZINC000142406830 345863135 /nfs/dbraw/zinc/86/31/35/345863135.db2.gz CHTXCDWRCRYJPN-JTQLQIEISA-N 0 0 206.241 2.021 10 30 BEEERN C=CCOc1cc(CCOC(C)=O)ccc1C#N ZINC000034570991 345832278 /nfs/dbraw/zinc/83/22/78/345832278.db2.gz VBWCNWFJGIZXTQ-UHFFFAOYSA-N 0 0 245.278 2.229 10 30 BEEERN COP(=O)(C=C=NC(C)(C)C)OC ZINC000034592347 345834496 /nfs/dbraw/zinc/83/44/96/345834496.db2.gz AVROFTRNXILPER-UHFFFAOYSA-N 0 0 205.194 2.454 10 30 BEEERN C=CCc1cc(C(=O)OC)c(O)c(CC=C)c1O ZINC000034485814 345835883 /nfs/dbraw/zinc/83/58/83/345835883.db2.gz NUXPLDBYCVWLMF-UHFFFAOYSA-N 0 0 248.278 2.341 10 30 BEEERN C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C(C)CC[C@H]3O)C[C@H]12 ZINC000095912510 290762289 /nfs/dbraw/zinc/76/22/89/290762289.db2.gz BGEGQRAHHFWWJT-BPGGGUHBSA-N 0 0 248.322 2.356 10 30 biogenic,in-vitro BEEERN C=C[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000034612105 345837688 /nfs/dbraw/zinc/83/76/88/345837688.db2.gz JCUUBFKMDCRQCN-PELKAZGASA-N 0 0 206.241 2.271 10 30 BEEERN Cc1ccc([S@@](=O)C2=CCCC2=O)cc1 ZINC000137250465 345840137 /nfs/dbraw/zinc/84/01/37/345840137.db2.gz OXJHVPNLFJWVJT-HNNXBMFYSA-N 0 0 220.293 2.349 10 30 BEEERN C=CC[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000148296316 345879508 /nfs/dbraw/zinc/87/95/08/345879508.db2.gz GDYFBOMUZUSZTO-VHSXEESVSA-N 0 0 202.319 2.166 10 30 BEEERN C[C@@H]1C[C@H](C(=O)N(CC#N)CC#N)CC(C)(C)C1 ZINC000180623356 345925903 /nfs/dbraw/zinc/92/59/03/345925903.db2.gz XBMWMARYFCYBBC-NEPJUHHUSA-N 0 0 247.342 2.325 10 30 BEEERN C[C@H]1Cc2nc(N)c(C#N)cc2[C@H](C)C1 ZINC000082831378 537943266 /nfs/dbraw/zinc/94/32/66/537943266.db2.gz RVELBHTWMMPHKQ-HTQZYQBOSA-N 0 0 201.273 2.221 10 30 BEEERN CCOC(=O)c1cc(C#N)cnc1C(F)F ZINC000096510553 346159476 /nfs/dbraw/zinc/15/94/76/346159476.db2.gz CBGXVKOBMSOOIS-UHFFFAOYSA-N 0 0 226.182 2.068 10 30 BEEERN N#Cc1ccc(NC(=O)C(F)(F)F)c(F)c1 ZINC000136363738 346201773 /nfs/dbraw/zinc/20/17/73/346201773.db2.gz UXWIYSDRJFUWAC-UHFFFAOYSA-N 0 0 232.136 2.198 10 30 BEEERN C#CCCC(=O)Nc1c(Cl)ncnc1Cl ZINC000236064085 346187016 /nfs/dbraw/zinc/18/70/16/346187016.db2.gz KFTMBPLKVXUESL-UHFFFAOYSA-N 0 0 244.081 2.135 10 30 BEEERN O=C(C1=CCCCO1)C(F)(F)C(F)F ZINC000236147828 346198006 /nfs/dbraw/zinc/19/80/06/346198006.db2.gz NZPZLGJTLUGQSB-UHFFFAOYSA-N 0 0 212.142 2.150 10 30 BEEERN Nc1ncccc1C(=O)C1=CCCCC1 ZINC000236366598 346233163 /nfs/dbraw/zinc/23/31/63/346233163.db2.gz PVSAFEIVAINXJO-UHFFFAOYSA-N 0 0 202.257 2.347 10 30 BEEERN CCCCCCC[C@@H](C)S(=O)(=O)NC ZINC000669375860 537958134 /nfs/dbraw/zinc/95/81/34/537958134.db2.gz XCGHAIYVCPPLQY-SNVBAGLBSA-N 0 0 221.366 2.285 10 30 BEEERN O=C1C=CC(=O)c2c(Br)cccc21 ZINC000039208743 346239594 /nfs/dbraw/zinc/23/95/94/346239594.db2.gz AIWJWAXZGOKRRH-UHFFFAOYSA-N 0 0 237.052 2.384 10 30 BEEERN Cc1nnc(S[C@@H]2CCC[C@@H]2C#N)o1 ZINC000051038095 346298724 /nfs/dbraw/zinc/29/87/24/346298724.db2.gz FGFYHFUJCFHFGG-HTQZYQBOSA-N 0 0 209.274 2.162 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CCC2(CCC2)C1 ZINC000332903360 537966226 /nfs/dbraw/zinc/96/62/26/537966226.db2.gz QMVVEQVDQDZTHH-VXGBXAGGSA-N 0 0 247.342 2.264 10 30 BEEERN Cc1cccc(CC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061888559 179052920 /nfs/dbraw/zinc/05/29/20/179052920.db2.gz DKVZBXBIJXCUHX-ZIAGYGMSSA-N 0 0 242.322 2.346 10 30 BEEERN Cc1cccc(CCNC(=O)[C@@H](C#N)C(C)C)c1 ZINC000051671095 179057485 /nfs/dbraw/zinc/05/74/85/179057485.db2.gz YTPJSNVPYGJHEF-AWEZNQCLSA-N 0 0 244.338 2.450 10 30 BEEERN CC[C@H](CC#N)NC(=O)[C@@H]1CCC[C@H]1C ZINC000300240599 346424154 /nfs/dbraw/zinc/42/41/54/346424154.db2.gz RLXUIBANPQDZJC-GMTAPVOTSA-N 0 0 208.305 2.231 10 30 BEEERN O=CCc1ccsc1Br ZINC000148245405 346501052 /nfs/dbraw/zinc/50/10/52/346501052.db2.gz IVHBJULGDUSASH-UHFFFAOYSA-N 0 0 205.076 2.252 10 30 BEEERN Cc1cccc(NC(=O)CN(C)C[C@H](C)C#N)c1 ZINC000042324799 179127542 /nfs/dbraw/zinc/12/75/42/179127542.db2.gz XFIFBOWXJBYXBY-GFCCVEGCSA-N 0 0 245.326 2.025 10 30 BEEERN N#Cc1cccc(N2CC[C@@H](C(F)F)C2)n1 ZINC000588040617 346627832 /nfs/dbraw/zinc/62/78/32/346627832.db2.gz HADLJIXXWWKFMW-MRVPVSSYSA-N 0 0 223.226 2.045 10 30 BEEERN Cc1ccnc(N2CC[C@H](C(F)F)C2)c1C#N ZINC000588040520 346627900 /nfs/dbraw/zinc/62/79/00/346627900.db2.gz BCBHRIDYKBRFIH-VIFPVBQESA-N 0 0 237.253 2.353 10 30 BEEERN Cc1ccc(C#N)c(N2CC[C@H](C(F)F)C2)n1 ZINC000588040506 346628033 /nfs/dbraw/zinc/62/80/33/346628033.db2.gz AWEHJMUXSIEKNR-JTQLQIEISA-N 0 0 237.253 2.353 10 30 BEEERN C/[N+]([O-])=C\CC(=O)C=Cc1ccc(Cl)cc1 ZINC000225440981 370647798 /nfs/dbraw/zinc/64/77/98/370647798.db2.gz DFJBYUGBAUZOLR-JTMBQFMYSA-N 0 0 238.694 2.415 10 30 BEEERN C=C(C(=O)OCC)[C@@H](O)c1cccc(C)c1 ZINC000019835279 187370726 /nfs/dbraw/zinc/37/07/26/187370726.db2.gz LXSKWSXHVYYWLM-GFCCVEGCSA-N 0 0 220.268 2.148 10 30 BEEERN Cc1cccc(N[C@H](C#N)[C@H]2CCOC2)c1 ZINC000037936724 179156335 /nfs/dbraw/zinc/15/63/35/179156335.db2.gz CZXZZZZVCWBVMB-WCQYABFASA-N 0 0 216.284 2.336 10 30 BEEERN O/N=C(\CCn1ccnc1)c1ccccc1 ZINC000169512068 346764090 /nfs/dbraw/zinc/76/40/90/346764090.db2.gz BWTGLMHXBMPCBS-WYMLVPIESA-N 0 0 215.256 2.152 10 30 BEEERN CCc1nn(C)cc1CN[C@@H]1CCCC[C@H]1C#N ZINC000168709886 346741602 /nfs/dbraw/zinc/74/16/02/346741602.db2.gz TYBTUNSVDRBGAN-SMDDNHRTSA-N 0 0 246.358 2.154 10 30 BEEERN CC1(C)C[C@@H](NC(=O)CC#N)c2ccccc2O1 ZINC000184379389 347159979 /nfs/dbraw/zinc/15/99/79/347159979.db2.gz KNOLPPIJBSJLNC-LLVKDONJSA-N 0 0 244.294 2.319 10 30 BEEERN Cc1cccc(Oc2ccc(/C(N)=N/O)cn2)c1 ZINC000019424779 179175629 /nfs/dbraw/zinc/17/56/29/179175629.db2.gz KSUJRNRIEOYXGZ-UHFFFAOYSA-N 0 0 243.266 2.277 10 30 BEEERN CCc1cc(NC(=O)CC#N)ccc1C ZINC000119067330 347259454 /nfs/dbraw/zinc/25/94/54/347259454.db2.gz OSNYQIKRJXKECL-UHFFFAOYSA-N 0 0 202.257 2.410 10 30 BEEERN C#CCOC1CC(C)(C)N(O)C(C)(C)C1 ZINC000148722584 347395932 /nfs/dbraw/zinc/39/59/32/347395932.db2.gz POEBHISKBXRUBH-UHFFFAOYSA-N 0 0 210.297 2.003 10 30 BEEERN Cc1ccccc1C(=O)N1CCC[C@H]1C#N ZINC000057497078 179247369 /nfs/dbraw/zinc/24/73/69/179247369.db2.gz RDEJEMJRZQNOMV-NSHDSACASA-N 0 0 214.268 2.123 10 30 BEEERN Cc1ccccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000061889182 179252578 /nfs/dbraw/zinc/25/25/78/179252578.db2.gz AFYMRLOYEZGVST-AAEUAGOBSA-N 0 0 228.295 2.417 10 30 BEEERN CC(C)(COS(C)(=O)=O)c1ccccc1F ZINC000261506866 323149740 /nfs/dbraw/zinc/14/97/40/323149740.db2.gz BTNMXAOPBLUZFA-UHFFFAOYSA-N 0 0 246.303 2.080 10 30 BEEERN Cc1ccccc1CSC[C@H](N)C#N ZINC000054964618 179287735 /nfs/dbraw/zinc/28/77/35/179287735.db2.gz LMDRJCGXFXYQQU-LLVKDONJSA-N 0 0 206.314 2.079 10 30 BEEERN C[C@H](C#N)CN1CCc2sccc2C1 ZINC000036984995 347997515 /nfs/dbraw/zinc/99/75/15/347997515.db2.gz LTRRPMRXYQJGHB-SECBINFHSA-N 0 0 206.314 2.266 10 30 BEEERN Cc1nc(Nc2ccc(C#N)cc2)[nH]c(=O)c1C ZINC000057330648 187395202 /nfs/dbraw/zinc/39/52/02/187395202.db2.gz FAMUTRMBZXGDSI-UHFFFAOYSA-N 0 0 240.266 2.002 10 30 BEEERN C[Si](C)(C#CC=O)Cc1ccccc1 ZINC000197950814 348546299 /nfs/dbraw/zinc/54/62/99/348546299.db2.gz CCQRBEDHOQSSPX-UHFFFAOYSA-N 0 0 202.329 2.218 10 30 BEEERN N#Cc1cc(Cl)ccc1NC1CC(CO)C1 ZINC000596568453 348580677 /nfs/dbraw/zinc/58/06/77/348580677.db2.gz OWGSGHVNDVNPNF-UHFFFAOYSA-N 0 0 236.702 2.394 10 30 BEEERN Cc1ccsc1[C@H](C#N)NC[C@@H]1CCCO1 ZINC000041673391 179552879 /nfs/dbraw/zinc/55/28/79/179552879.db2.gz MZWZMSKSAGXAQT-QWRGUYRKSA-N 0 0 236.340 2.390 10 30 BEEERN C/C(=N\[S@](=O)C(C)(C)C)c1cccnc1 ZINC000198650907 348826398 /nfs/dbraw/zinc/82/63/98/348826398.db2.gz IWGRIFILLVIELE-BMQCOBNYSA-N 0 0 224.329 2.353 10 30 BEEERN CC1CC(C(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000597908318 348842297 /nfs/dbraw/zinc/84/22/97/348842297.db2.gz RGPFSNNVQDJJNR-MOENNCHZSA-N 0 0 220.316 2.185 10 30 BEEERN N#Cc1ccc(-c2nc3cccnc3[nH]2)cc1 ZINC000000366999 187405803 /nfs/dbraw/zinc/40/58/03/187405803.db2.gz SBEHOQVAOUNCSL-UHFFFAOYSA-N 0 0 220.235 2.497 10 30 BEEERN C=C(C(=O)OCC(F)(F)F)C(F)(F)F ZINC000002529929 187410524 /nfs/dbraw/zinc/41/05/24/187410524.db2.gz IRQYOZQRDXJKSW-UHFFFAOYSA-N 0 0 222.084 2.210 10 30 BEEERN N#CCc1ccc(C=O)c(OC(F)(F)F)c1 ZINC000616575305 349083837 /nfs/dbraw/zinc/08/38/37/349083837.db2.gz CEGSYKKYWAHIDA-UHFFFAOYSA-N 0 0 229.157 2.464 10 30 BEEERN N#CCc1ccc(C=O)cc1OC(F)(F)F ZINC000616575809 349094823 /nfs/dbraw/zinc/09/48/23/349094823.db2.gz GDEHXZBGTGWLMA-UHFFFAOYSA-N 0 0 229.157 2.464 10 30 BEEERN N#CCc1cccc(OC(F)(F)F)c1C=O ZINC000616575921 349095242 /nfs/dbraw/zinc/09/52/42/349095242.db2.gz KACQPPCCAGAYJK-UHFFFAOYSA-N 0 0 229.157 2.464 10 30 BEEERN Cc1cocc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000599629717 349228934 /nfs/dbraw/zinc/22/89/34/349228934.db2.gz LFXOZDWLUUFFTN-GXSJLCMTSA-N 0 0 218.256 2.010 10 30 BEEERN Cc1cccc(O)c1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000599630218 349230686 /nfs/dbraw/zinc/23/06/86/349230686.db2.gz OWAVUHNWJFUESD-MNOVXSKESA-N 0 0 244.294 2.123 10 30 BEEERN Cc1cccc(O)c1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000599630220 349230867 /nfs/dbraw/zinc/23/08/67/349230867.db2.gz OWAVUHNWJFUESD-WDEREUQCSA-N 0 0 244.294 2.123 10 30 BEEERN C=CCSCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300715044 349289561 /nfs/dbraw/zinc/28/95/61/349289561.db2.gz YRTJCJFWATYBKU-JGPRNRPPSA-N 0 0 225.357 2.068 10 30 BEEERN N#Cc1cccc(OC(F)(F)F)c1C#N ZINC000616580929 349262576 /nfs/dbraw/zinc/26/25/76/349262576.db2.gz LYQATDSWUDASAG-UHFFFAOYSA-N 0 0 212.130 2.329 10 30 BEEERN Cc1nc(C)n(-c2ccc(Cl)cc2C#N)n1 ZINC000052859791 179921375 /nfs/dbraw/zinc/92/13/75/179921375.db2.gz AGNSYWLDLFXVLQ-UHFFFAOYSA-N 0 0 232.674 2.409 10 30 BEEERN O=CC[C@@H](O)c1ccc(Br)s1 ZINC000159360329 350064463 /nfs/dbraw/zinc/06/44/63/350064463.db2.gz NOMHDLMCJYSWHO-RXMQYKEDSA-N 0 0 235.102 2.133 10 30 BEEERN CCOP(=O)(C/C(C)=N/OC)OCC ZINC000217591744 350064590 /nfs/dbraw/zinc/06/45/90/350064590.db2.gz VKXSDKSQWZGYSD-CMDGGOBGSA-N 0 0 223.209 2.275 10 30 BEEERN O=CC[C@H](O)c1cccc(Br)c1 ZINC000159365639 350069087 /nfs/dbraw/zinc/06/90/87/350069087.db2.gz YRUSONIAEQXKGX-VIFPVBQESA-N 0 0 229.073 2.072 10 30 BEEERN Cc1cccc(N(C)CCC#N)c1[N+](=O)[O-] ZINC000218822013 350104419 /nfs/dbraw/zinc/10/44/19/350104419.db2.gz GKYGMROPHAHDJL-UHFFFAOYSA-N 0 0 219.244 2.253 10 30 BEEERN Cc1nc(NC[C@H](O)C(C)(C)C)ccc1C#N ZINC000291966505 180019126 /nfs/dbraw/zinc/01/91/26/180019126.db2.gz ONJFHFZQFXGEMJ-NSHDSACASA-N 0 0 233.315 2.081 10 30 BEEERN Cc1nc([C@@H](C)NCCC#N)c(C)s1 ZINC000020200229 180035800 /nfs/dbraw/zinc/03/58/00/180035800.db2.gz BYIHIVHQKCGYJQ-SSDOTTSWSA-N 0 0 209.318 2.324 10 30 BEEERN CCOC(CS)(OCC)C(F)(F)F ZINC000219165774 350115771 /nfs/dbraw/zinc/11/57/71/350115771.db2.gz BNONHYMWKJFZCN-UHFFFAOYSA-N 0 0 218.240 2.248 10 30 BEEERN C[C@H](C#N)NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000604543642 350143571 /nfs/dbraw/zinc/14/35/71/350143571.db2.gz NSRZLIUGGCISGO-CKYFFXLPSA-N 0 0 246.310 2.364 10 30 BEEERN Cc1nc2ccccc2n1[C@H](C)C/C(N)=N/O ZINC000048258116 180104381 /nfs/dbraw/zinc/10/43/81/180104381.db2.gz QVXDMPUFQLSRKT-MRVPVSSYSA-N 0 0 232.287 2.042 10 30 BEEERN C=CCN(CC=C)[C@@H](CC(C)C)C(=O)OC ZINC000220268198 350168822 /nfs/dbraw/zinc/16/88/22/350168822.db2.gz OENPMMJBPYBYMK-LBPRGKRZSA-N 0 0 225.332 2.248 10 30 BEEERN COc1ccc(CC=O)c(Br)c1 ZINC000098179279 191061833 /nfs/dbraw/zinc/06/18/33/191061833.db2.gz KTCNWMVJRFGQON-UHFFFAOYSA-N 0 0 229.073 2.199 10 30 BEEERN N/C(=C/C(=O)c1cccs1)C(F)F ZINC000101475501 191064078 /nfs/dbraw/zinc/06/40/78/191064078.db2.gz DCZBGZHXIVPFEF-SNAWJCMRSA-N 0 0 203.213 2.039 10 30 BEEERN C=CCCS(=O)(=O)N1CCCC12CCCC2 ZINC000365312175 350228594 /nfs/dbraw/zinc/22/85/94/350228594.db2.gz ZGJWCLWFOBDJQY-UHFFFAOYSA-N 0 0 243.372 2.301 10 30 BEEERN C=CCN(CC=C)C(=O)C1[C@@H]2[C@@H]1[C@H]1CC[C@H]2C1 ZINC000246575305 191092274 /nfs/dbraw/zinc/09/22/74/191092274.db2.gz LITARDMDLONKEM-CYDGBPFRSA-N 0 0 231.339 2.479 10 30 BEEERN Cc1nn(-c2c(C#N)c(C)nn2C)c(C)c1Cl ZINC000104311003 180326543 /nfs/dbraw/zinc/32/65/43/180326543.db2.gz HZPJQEYSCPNAGB-UHFFFAOYSA-N 0 0 249.705 2.056 10 30 BEEERN Cc1nn(-c2ccc(F)cc2)cc1C#N ZINC000096938396 180329259 /nfs/dbraw/zinc/32/92/59/180329259.db2.gz RJEHVPOQNFHMEX-UHFFFAOYSA-N 0 0 201.204 2.192 10 30 BEEERN Cc1nn(-c2ccccn2)c(Cl)c1C#N ZINC000082608288 180331396 /nfs/dbraw/zinc/33/13/96/180331396.db2.gz GGBAURPKXDGOJS-UHFFFAOYSA-N 0 0 218.647 2.101 10 30 BEEERN Cc1ccnc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000328197706 350392115 /nfs/dbraw/zinc/39/21/15/350392115.db2.gz RZZUQXRCDNSYDH-YPMHNXCESA-N 0 0 215.300 2.172 10 30 BEEERN Cc1nn(C)c(NCc2ccccc2F)c1C#N ZINC000111615454 180357788 /nfs/dbraw/zinc/35/77/88/180357788.db2.gz WARKPYWBPOMGJC-UHFFFAOYSA-N 0 0 244.273 2.351 10 30 BEEERN Cc1nn(CC#Cc2ccccc2)c(C)c1C=O ZINC000051814764 180384909 /nfs/dbraw/zinc/38/49/09/180384909.db2.gz KSEKSECJZCMVJD-UHFFFAOYSA-N 0 0 238.290 2.364 10 30 BEEERN Cc1nn(Cc2ccc(C#N)cc2F)c(C)c1N ZINC000019869451 180391487 /nfs/dbraw/zinc/39/14/87/180391487.db2.gz IVPKUGYYCOFYGT-UHFFFAOYSA-N 0 0 244.273 2.141 10 30 BEEERN CCCCC[C@@H](CCC=O)OC(C)=O ZINC000059866809 350495961 /nfs/dbraw/zinc/49/59/61/350495961.db2.gz NHHUJKRSGXNNQV-NSHDSACASA-N 0 0 200.278 2.478 10 30 BEEERN CC(C)[C@@H]1CCC[C@H](OS(C)(=O)=O)C1 ZINC000231006227 350520706 /nfs/dbraw/zinc/52/07/06/350520706.db2.gz NFOYKBJQQLVQFZ-ZJUUUORDSA-N 0 0 220.334 2.177 10 30 BEEERN N#Cc1cnccc1N[C@@H]1CCC[C@H]1C#N ZINC000309498850 350614323 /nfs/dbraw/zinc/61/43/23/350614323.db2.gz KZPLBGDISSRYKO-GXSJLCMTSA-N 0 0 212.256 2.057 10 30 BEEERN C=C(CS)Cn1cc(Br)cn1 ZINC000231635222 350632325 /nfs/dbraw/zinc/63/23/25/350632325.db2.gz KGUDTOGUBNQDTE-UHFFFAOYSA-N 0 0 233.134 2.132 10 30 BEEERN N#Cc1ccc(N[C@@H]2CCC[C@H](O)C2)cc1 ZINC000309519497 350695525 /nfs/dbraw/zinc/69/55/25/350695525.db2.gz AZJUMFPHOBIMAL-OLZOCXBDSA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1ccc([C@H]2CCCCN(C(N)=O)C2)cc1 ZINC000616603792 350790258 /nfs/dbraw/zinc/79/02/58/350790258.db2.gz WSQBQKZLLLTHAU-ZDUSSCGKSA-N 0 0 243.310 2.206 10 30 BEEERN O=C[C@]1([C@H]2CCCCC[C@@H]2O)CCCS1 ZINC000306731730 350901965 /nfs/dbraw/zinc/90/19/65/350901965.db2.gz QYSSGCRPZWDGIU-SRVKXCTJSA-N 0 0 228.357 2.392 10 30 BEEERN Cc1cccc(C[C@]2(C=O)CCOC2)c1 ZINC000306734645 350904259 /nfs/dbraw/zinc/90/42/59/350904259.db2.gz VCYYYYQKXBCJQD-ZDUSSCGKSA-N 0 0 204.269 2.143 10 30 BEEERN CC(C)(C)[S@@](=O)/N=C/c1ccccc1O ZINC000382597911 350892089 /nfs/dbraw/zinc/89/20/89/350892089.db2.gz MOWIZXKSUZMFEG-INDWDQIESA-N 0 0 225.313 2.273 10 30 BEEERN Cc1cncc(C[C@@]2(C=O)CCCS2)c1 ZINC000306725738 350896621 /nfs/dbraw/zinc/89/66/21/350896621.db2.gz LAZGTIOWMXODSK-GFCCVEGCSA-N 0 0 221.325 2.397 10 30 BEEERN CSCCCC(=O)NCc1cccc(C#N)c1 ZINC000129071483 350978123 /nfs/dbraw/zinc/97/81/23/350978123.db2.gz BFZAMVFSJSVUEM-UHFFFAOYSA-N 0 0 248.351 2.318 10 30 BEEERN C#Cc1csc(-c2ccccc2O)n1 ZINC000159719471 350979454 /nfs/dbraw/zinc/97/94/54/350979454.db2.gz QMPQGCJFBWUGDV-UHFFFAOYSA-N 0 0 201.250 2.497 10 30 BEEERN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1csnn1 ZINC000398226838 351015904 /nfs/dbraw/zinc/01/59/04/351015904.db2.gz FWDFCPDHDJGAPN-IVZWLZJFSA-N 0 0 236.344 2.271 10 30 BEEERN Cc1nc(CN[C@@H]2CCCC[C@H]2C#N)oc1C ZINC000231654441 351035435 /nfs/dbraw/zinc/03/54/35/351035435.db2.gz NQJMIQXCDXKIRL-NWDGAFQWSA-N 0 0 233.315 2.463 10 30 BEEERN CC[S@](=O)Nc1cc(C#N)ccc1Cl ZINC000306810330 351063774 /nfs/dbraw/zinc/06/37/74/351063774.db2.gz UIJRCMHIZXWGDF-AWEZNQCLSA-N 0 0 228.704 2.307 10 30 BEEERN N#Cc1c(F)c(Br)ccc1[N+](=O)[O-] ZINC000306812847 351081797 /nfs/dbraw/zinc/08/17/97/351081797.db2.gz AAXSAZPQOAVTOK-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN Cc1cc(CC#N)c(Br)cn1 ZINC000306817988 351085079 /nfs/dbraw/zinc/08/50/79/351085079.db2.gz CUBASVZDWQIYDJ-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN C=CCC(=O)Nc1ccnc(Br)c1 ZINC000306978327 351397449 /nfs/dbraw/zinc/39/74/49/351397449.db2.gz AZUSJXSFQNAYAA-UHFFFAOYSA-N 0 0 241.088 2.359 10 30 BEEERN CNC(=S)[C@]1(c2cccnc2)CCCO1 ZINC000013651042 187479617 /nfs/dbraw/zinc/47/96/17/187479617.db2.gz UEACVUPVFPHZIT-LLVKDONJSA-N 0 0 222.313 2.045 10 30 BEEERN O=C[C@]1(C[C@H]2CCCO2)CCCS1 ZINC000307145848 351498879 /nfs/dbraw/zinc/49/88/79/351498879.db2.gz JTUNQAXHGZISGF-NXEZZACHSA-N 0 0 200.303 2.020 10 30 BEEERN COC(=O)c1c(F)ccc(Cl)c1C#N ZINC000307159400 351511496 /nfs/dbraw/zinc/51/14/96/351511496.db2.gz JFMWJNYYLADHKJ-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN CC1(C)Cc2cccc(OC[C@@H]3CO3)c2O1 ZINC000022170432 187493537 /nfs/dbraw/zinc/49/35/37/187493537.db2.gz GZBGWGUQAIPVIP-JTQLQIEISA-N 0 0 220.268 2.178 10 30 BEEERN C=CCc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000034170369 187494327 /nfs/dbraw/zinc/49/43/27/187494327.db2.gz IVZBNIYDQYPHFO-UHFFFAOYSA-N 0 0 207.185 2.052 10 30 BEEERN C#Cc1ccc(OCc2ccccn2)nc1 ZINC000606302161 351555637 /nfs/dbraw/zinc/55/56/37/351555637.db2.gz FMRABIQRJUYXGA-UHFFFAOYSA-N 0 0 210.236 2.037 10 30 BEEERN COc1ccccc1CC1CC(C=O)C1 ZINC000606302173 351555667 /nfs/dbraw/zinc/55/56/67/351555667.db2.gz FWNGDTROBYOIIR-UHFFFAOYSA-N 0 0 204.269 2.463 10 30 BEEERN CCc1nn(C)c(CS)c1Br ZINC000307275908 351831421 /nfs/dbraw/zinc/83/14/21/351831421.db2.gz SPFLDENENARAQR-UHFFFAOYSA-N 0 0 235.150 2.175 10 30 BEEERN C#CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000075491951 187533629 /nfs/dbraw/zinc/53/36/29/187533629.db2.gz ZKARARAENZBZKO-UHFFFAOYSA-N 0 0 249.118 2.400 10 30 BEEERN C#CCS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000075492010 187533897 /nfs/dbraw/zinc/53/38/97/187533897.db2.gz MZPHCWNBDQUSPY-UHFFFAOYSA-N 0 0 228.700 2.055 10 30 BEEERN C#Cc1nnc(-c2cc(Cl)c[nH]2)s1 ZINC000307295431 351906755 /nfs/dbraw/zinc/90/67/55/351906755.db2.gz PXOZNTQUZJZCMJ-UHFFFAOYSA-N 0 0 209.661 2.168 10 30 BEEERN N#CCN(C[C@H]1Cc2ccccc21)C1CC1 ZINC000287391282 352124420 /nfs/dbraw/zinc/12/44/20/352124420.db2.gz RHKPDCGUHLECOI-GFCCVEGCSA-N 0 0 212.296 2.314 10 30 BEEERN Cc1ncc(Br)cc1CC#N ZINC000307339807 352082046 /nfs/dbraw/zinc/08/20/46/352082046.db2.gz WUZHYYPCJVWTAH-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN CN[C@@H](C#N)c1cc(F)cc(Br)c1 ZINC000307343787 352090806 /nfs/dbraw/zinc/09/08/06/352090806.db2.gz XUIDCUZBDNSRGD-VIFPVBQESA-N 0 0 243.079 2.372 10 30 BEEERN C[C@@]1(Cc2ccco2)CCC[C@H](C=O)O1 ZINC000307366927 352453342 /nfs/dbraw/zinc/45/33/42/352453342.db2.gz NUIAHGIHMSHSPZ-NEPJUHHUSA-N 0 0 208.257 2.349 10 30 BEEERN CC[C@H](C#N)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000044828197 352443757 /nfs/dbraw/zinc/44/37/57/352443757.db2.gz JKRFHZBDRZKGTC-RTXFEEFZSA-N 0 0 228.295 2.208 10 30 BEEERN C#C[C@@H](NC)c1cscc1Br ZINC000404833538 352588374 /nfs/dbraw/zinc/58/83/74/352588374.db2.gz YXQSHBRWODTEHQ-MRVPVSSYSA-N 0 0 230.130 2.404 10 30 BEEERN CC(C)c1cc(C(=O)N(C)O)cc(Cl)n1 ZINC000307445046 352601314 /nfs/dbraw/zinc/60/13/14/352601314.db2.gz FDPXMXUDYDVXET-UHFFFAOYSA-N 0 0 228.679 2.320 10 30 BEEERN N#CCCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002392871 187756550 /nfs/dbraw/zinc/75/65/50/187756550.db2.gz DCZZTVNFSWEWJY-UHFFFAOYSA-N 0 0 204.185 2.081 10 30 BEEERN CO[C@H](CCC#N)c1cccc(CO)c1 ZINC000498036540 352570041 /nfs/dbraw/zinc/57/00/41/352570041.db2.gz IACBJGGHVRIRAL-GFCCVEGCSA-N 0 0 205.257 2.170 10 30 BEEERN COC(=O)c1c(C)cc(C#N)cc1Cl ZINC000307540013 352644422 /nfs/dbraw/zinc/64/44/22/352644422.db2.gz AOEOGRGUBNUQSX-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C[C@@]1(c2nccs2)CC[C@H](CC#N)O1 ZINC000307573570 352658360 /nfs/dbraw/zinc/65/83/60/352658360.db2.gz FUYXSUDSGNZMNK-SCZZXKLOSA-N 0 0 208.286 2.451 10 30 BEEERN N#CCCN(c1ccc(CO)cc1F)C1CC1 ZINC000042547575 187776539 /nfs/dbraw/zinc/77/65/39/187776539.db2.gz KGXIUFZFMMHUEA-UHFFFAOYSA-N 0 0 234.274 2.200 10 30 BEEERN Cc1cc(C)c(C#N)c(N(C)[C@@H](C)CC#N)n1 ZINC000063093632 187784372 /nfs/dbraw/zinc/78/43/72/187784372.db2.gz AQBBCQGCFBGCTC-NSHDSACASA-N 0 0 228.299 2.309 10 30 BEEERN C#CCC(=O)Nc1ccc(Br)cc1 ZINC000232474576 352740547 /nfs/dbraw/zinc/74/05/47/352740547.db2.gz BRYZOHJQCDQXBJ-UHFFFAOYSA-N 0 0 238.084 2.411 10 30 BEEERN C[C@H](NC(=O)C#CBr)C1CCCC1 ZINC000307662316 352748256 /nfs/dbraw/zinc/74/82/56/352748256.db2.gz HNGUHCQJXDRWHI-QMMMGPOBSA-N 0 0 244.132 2.037 10 30 BEEERN CC[C@](C)(C#N)c1ncncc1Br ZINC000306424939 353012689 /nfs/dbraw/zinc/01/26/89/353012689.db2.gz LOSWNOBJASOEGW-SECBINFHSA-N 0 0 240.104 2.430 10 30 BEEERN C[C@](O)(C=O)C[C@@H]1CCCCC1(F)F ZINC000307303356 353067555 /nfs/dbraw/zinc/06/75/55/353067555.db2.gz BPHUIGJOYOGYGO-DTWKUNHWSA-N 0 0 206.232 2.152 10 30 BEEERN N#Cc1cc(F)c(Br)c([N+](=O)[O-])c1 ZINC000306853564 353042847 /nfs/dbraw/zinc/04/28/47/353042847.db2.gz UBFXHDFDPPTZND-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN N#Cc1ccc(OC(F)F)c(Cl)n1 ZINC000307040350 353050777 /nfs/dbraw/zinc/05/07/77/353050777.db2.gz MDNANOSCBJLGMO-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C#CC[C@@H](N)C(=O)c1cc(F)ccc1Cl ZINC000164565310 353051928 /nfs/dbraw/zinc/05/19/28/353051928.db2.gz FNSXSQCOBZYKRZ-SNVBAGLBSA-N 0 0 225.650 2.012 10 30 BEEERN C[C@H](C#N)CNc1ncc(Br)s1 ZINC000307715900 353106764 /nfs/dbraw/zinc/10/67/64/353106764.db2.gz GPSUEAXVACXOMA-RXMQYKEDSA-N 0 0 246.133 2.477 10 30 BEEERN CO/N=C/c1cc(O)ccc1Br ZINC000307724455 353112176 /nfs/dbraw/zinc/11/21/76/353112176.db2.gz YGEYZEMQLVQEIK-BJMVGYQFSA-N 0 0 230.061 2.135 10 30 BEEERN C#CC(=O)c1c(F)cccc1Br ZINC000165100284 353139564 /nfs/dbraw/zinc/13/95/64/353139564.db2.gz LFEGGIBLGHPESO-UHFFFAOYSA-N 0 0 227.032 2.404 10 30 BEEERN CC(C)(C#N)Cn1ccc(Br)n1 ZINC000405180956 353139679 /nfs/dbraw/zinc/13/96/79/353139679.db2.gz XOVJIQMMJKHDQS-UHFFFAOYSA-N 0 0 228.093 2.195 10 30 BEEERN C=C[C@@H](C)Nc1nc(Cl)nnc1Cl ZINC000229321487 353119944 /nfs/dbraw/zinc/11/99/44/353119944.db2.gz TZSVYLFHDGYCHG-SCSAIBSYSA-N 0 0 219.075 2.165 10 30 BEEERN C=CCCCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000175693847 188079777 /nfs/dbraw/zinc/07/97/77/188079777.db2.gz BHEFQEZGILNEMI-GFCCVEGCSA-N 0 0 247.342 2.092 10 30 BEEERN C=CCc1cc(OC)c(O)c(OC)c1OC ZINC000082291657 188097535 /nfs/dbraw/zinc/09/75/35/188097535.db2.gz CMCYMPCWZGFFJZ-UHFFFAOYSA-N 0 0 224.256 2.147 10 30 BEEERN CC(C)[C@H](C)N(C)c1ccc(/C(N)=N/O)cc1 ZINC000036787408 188112378 /nfs/dbraw/zinc/11/23/78/188112378.db2.gz XTENLDKOPPYDJG-JTQLQIEISA-N 0 0 235.331 2.262 10 30 BEEERN Cc1cccc(OCc2nc(CC#N)no2)c1 ZINC000073641296 188114785 /nfs/dbraw/zinc/11/47/85/188114785.db2.gz SFKJLUPANFPRAL-UHFFFAOYSA-N 0 0 229.239 2.023 10 30 BEEERN N#Cc1ccc(-c2ncc(F)c(Cl)n2)nc1 ZINC000072204319 188114794 /nfs/dbraw/zinc/11/47/94/188114794.db2.gz IGVINJOVTLSQKG-UHFFFAOYSA-N 0 0 234.621 2.203 10 30 BEEERN CC(C)C[C@@H](C)Oc1ncc(N)cc1C#N ZINC000037759316 188115076 /nfs/dbraw/zinc/11/50/76/188115076.db2.gz ZYMVZQNNUNHHOO-SECBINFHSA-N 0 0 219.288 2.349 10 30 BEEERN N#CCCN(C(=O)NC1CC1)c1ccccc1 ZINC000054457148 188126950 /nfs/dbraw/zinc/12/69/50/188126950.db2.gz FMUJWPVKZSYLSO-UHFFFAOYSA-N 0 0 229.283 2.279 10 30 BEEERN CC1(C)C[C@@H]1NC(=O)[C@@H](C#N)c1ccccc1 ZINC000061615394 188128130 /nfs/dbraw/zinc/12/81/30/188128130.db2.gz ATCMWMSEFBYTHS-RYUDHWBXSA-N 0 0 228.295 2.208 10 30 BEEERN CC#CCN1CCO[C@@H](c2ccsc2)C1 ZINC000125762310 353200955 /nfs/dbraw/zinc/20/09/55/353200955.db2.gz PYMJFBZIRBRRLY-GFCCVEGCSA-N 0 0 221.325 2.145 10 30 BEEERN N#CCCSc1nc(Cl)ccc1N ZINC000075623232 188133006 /nfs/dbraw/zinc/13/30/06/188133006.db2.gz APDVCPCYHSJWKT-UHFFFAOYSA-N 0 0 213.693 2.323 10 30 BEEERN CC(C)(C=O)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000082163964 188137431 /nfs/dbraw/zinc/13/74/31/188137431.db2.gz RDPSRQAHEBIFRW-LLVKDONJSA-N 0 0 221.256 2.272 10 30 BEEERN C=CCCCN(C)[C@H](C(=O)OC)c1cccnc1 ZINC000126064586 353218922 /nfs/dbraw/zinc/21/89/22/353218922.db2.gz JRJNJZZWBRFHHR-ZDUSSCGKSA-N 0 0 248.326 2.194 10 30 BEEERN CCC[C@H](C#N)C(=O)N[C@@H](C)[C@@H](C)CC ZINC000044824919 188152235 /nfs/dbraw/zinc/15/22/35/188152235.db2.gz OIAHKTVAMOPUBN-GARJFASQSA-N 0 0 210.321 2.477 10 30 BEEERN C/C(=N\O)c1cccc(OC[C@H]2CCOC2)c1 ZINC000103387740 188160266 /nfs/dbraw/zinc/16/02/66/188160266.db2.gz KQUZCBNKJVAUHD-IWQAVIMZSA-N 0 0 235.283 2.300 10 30 BEEERN N#C[C@H](c1ccccc1F)N1CCCC1 ZINC000019934189 188174324 /nfs/dbraw/zinc/17/43/24/188174324.db2.gz PRHMTQRGKXTVCZ-GFCCVEGCSA-N 0 0 204.248 2.486 10 30 BEEERN N#Cc1ccnc(Br)c1OC1CC1 ZINC000095736289 188146720 /nfs/dbraw/zinc/14/67/20/188146720.db2.gz FDGAJRULQQVOGM-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@]1(C)C=O ZINC000098095983 188148448 /nfs/dbraw/zinc/14/84/48/188148448.db2.gz WFKBTVBJRXEGPV-JOYOIKCWSA-N 0 0 227.304 2.269 10 30 BEEERN Cc1cccc(CSC[C@@H](N)C#N)c1 ZINC000054966313 188178380 /nfs/dbraw/zinc/17/83/80/188178380.db2.gz PEJZKBKMIQUMHV-NSHDSACASA-N 0 0 206.314 2.079 10 30 BEEERN Cc1noc(C)c1CN[C@H]1CCC[C@H]1C#N ZINC000070797525 353262463 /nfs/dbraw/zinc/26/24/63/353262463.db2.gz RVQFOXOOAIDZPH-JQWIXIFHSA-N 0 0 219.288 2.073 10 30 BEEERN C=CCCCN(C)C(=O)c1cnn2c1CCCC2 ZINC000127031278 353263775 /nfs/dbraw/zinc/26/37/75/353263775.db2.gz XEBDMCMKYAHBFI-UHFFFAOYSA-N 0 0 247.342 2.258 10 30 BEEERN C=C(CO)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095830676 188224140 /nfs/dbraw/zinc/22/41/40/188224140.db2.gz WBELQYAEKAZQID-UHFFFAOYSA-N 0 0 241.331 2.182 10 30 BEEERN Cc1cc(Cl)cc2c1ccnc2C(N)=NO ZINC000521400924 363214688 /nfs/dbraw/zinc/21/46/88/363214688.db2.gz GRUBGYVRRPDDLF-UHFFFAOYSA-N 0 0 235.674 2.291 10 30 BEEERN C=C(C)Cn1c(-c2ccccc2C)noc1=O ZINC000131948719 353375824 /nfs/dbraw/zinc/37/58/24/353375824.db2.gz NNALCENTMYGUNI-UHFFFAOYSA-N 0 0 230.267 2.388 10 30 BEEERN CC#CCNc1ccncc1Br ZINC000133592993 353421863 /nfs/dbraw/zinc/42/18/63/353421863.db2.gz LXBOPDWRXSCCAW-UHFFFAOYSA-N 0 0 225.089 2.279 10 30 BEEERN Cc1cnc(NC(=O)[C@H]2CCCO[C@@H]2C)o1 ZINC000330113520 538116930 /nfs/dbraw/zinc/11/69/30/538116930.db2.gz DAEIOZJKHRZGLV-BDAKNGLRSA-N 0 0 224.260 2.386 10 30 BEEERN Cc1cnc(NC(=O)[C@H]2CCCO[C@H]2C)o1 ZINC000330113524 538116959 /nfs/dbraw/zinc/11/69/59/538116959.db2.gz DAEIOZJKHRZGLV-IUCAKERBSA-N 0 0 224.260 2.386 10 30 BEEERN COc1ccc(C=NO)cc1Br ZINC000252364641 363230516 /nfs/dbraw/zinc/23/05/16/363230516.db2.gz PLVAXUFKSBKJPC-UHFFFAOYSA-N 0 0 230.061 2.266 10 30 BEEERN C=CCCCN(C)C(=O)c1cccnc1 ZINC000135105030 353525741 /nfs/dbraw/zinc/52/57/41/353525741.db2.gz ZTHRMDGLSMYSAF-UHFFFAOYSA-N 0 0 204.273 2.120 10 30 BEEERN C#CC(C)(C)Oc1ccc(C=O)cc1F ZINC000135119951 353536142 /nfs/dbraw/zinc/53/61/42/353536142.db2.gz VEMMANMYQNYWGK-UHFFFAOYSA-N 0 0 206.216 2.429 10 30 BEEERN Cc1oncc1C(=O)Nc1ccccc1C#N ZINC000019480937 188460772 /nfs/dbraw/zinc/46/07/72/188460772.db2.gz WIHXCBZOEFOLMD-UHFFFAOYSA-N 0 0 227.223 2.107 10 30 BEEERN COc1ccc(OC)c([C@H]2CCCN2CC#N)c1 ZINC000053401892 363246356 /nfs/dbraw/zinc/24/63/56/363246356.db2.gz JAVQLFFCISRPQO-CYBMUJFWSA-N 0 0 246.310 2.364 10 30 BEEERN CCC(C)(C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232846281 353784513 /nfs/dbraw/zinc/78/45/13/353784513.db2.gz OHDHUNWOLGXEGT-UHFFFAOYSA-N 0 0 234.259 2.462 10 30 BEEERN C=C[C@@H](NN)c1cc2c(s1)CCCC2 ZINC000097752778 353741191 /nfs/dbraw/zinc/74/11/91/353741191.db2.gz VIXGYCWIULRJGJ-SECBINFHSA-N 0 0 208.330 2.317 10 30 BEEERN Cc1c(C#N)cccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000178372449 366117288 /nfs/dbraw/zinc/11/72/88/366117288.db2.gz SWGANIAAIXYAAB-RNCFNFMXSA-N 0 0 244.294 2.373 10 30 BEEERN N#CC1(NCC(F)(F)F)Cc2ccccc2C1 ZINC000037971244 181030891 /nfs/dbraw/zinc/03/08/91/181030891.db2.gz XFZFJFMRTNSWCO-UHFFFAOYSA-N 0 0 240.228 2.199 10 30 BEEERN N#CC1(NC(=O)c2ccncc2)CCCCCC1 ZINC000040221525 181030964 /nfs/dbraw/zinc/03/09/64/181030964.db2.gz WLDMRFYXPGKPHG-UHFFFAOYSA-N 0 0 243.310 2.428 10 30 BEEERN N#CC1(c2nc([C@H]3CCOC3)no2)CCCCC1 ZINC000118963140 181031931 /nfs/dbraw/zinc/03/19/31/181031931.db2.gz NTPRURNWUXAELF-JTQLQIEISA-N 0 0 247.298 2.299 10 30 BEEERN N#CC(CO)(c1ccccc1)c1ccccc1 ZINC000037631137 181028028 /nfs/dbraw/zinc/02/80/28/181028028.db2.gz IOIZVPKQOXNGDB-UHFFFAOYSA-N 0 0 223.275 2.489 10 30 BEEERN N#CC1(c2ccc3c(c2)OCCO3)CC1 ZINC000036924944 181031675 /nfs/dbraw/zinc/03/16/75/181031675.db2.gz HGLQTUHQDKNJCF-UHFFFAOYSA-N 0 0 201.225 2.013 10 30 BEEERN N#CC1(c2ccnc(Br)c2)CC1 ZINC000095803022 181031701 /nfs/dbraw/zinc/03/17/01/181031701.db2.gz HKLRZPZCPJJBTP-UHFFFAOYSA-N 0 0 223.073 2.399 10 30 BEEERN N#CC1(NC(=O)[C@H]2C[C@@H]2c2ccco2)CCCC1 ZINC000127506125 181029710 /nfs/dbraw/zinc/02/97/10/181029710.db2.gz QHLSBTFXQZTZGC-QWRGUYRKSA-N 0 0 244.294 2.336 10 30 BEEERN C#Cc1cncc(C#Cc2csc(C)n2)c1 ZINC000013680960 188525652 /nfs/dbraw/zinc/52/56/52/188525652.db2.gz YOWSKYGQAZYPKK-UHFFFAOYSA-N 0 0 224.288 2.228 10 30 BEEERN N#CCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083367479 181033827 /nfs/dbraw/zinc/03/38/27/181033827.db2.gz KXPWORDTZULQNM-UHFFFAOYSA-N 0 0 239.618 2.100 10 30 BEEERN N#CCNCc1cc(F)ccc1Br ZINC000038039391 181043051 /nfs/dbraw/zinc/04/30/51/181043051.db2.gz FVIAZNODZDQQHX-UHFFFAOYSA-N 0 0 243.079 2.201 10 30 BEEERN N#CCNCc1cccc(C(F)(F)F)c1 ZINC000020044221 181043311 /nfs/dbraw/zinc/04/33/11/181043311.db2.gz SECPZDGAQAMWHK-UHFFFAOYSA-N 0 0 214.190 2.319 10 30 BEEERN N#CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000035973696 181043368 /nfs/dbraw/zinc/04/33/68/181043368.db2.gz RIZGSWRRMHOMBB-UHFFFAOYSA-N 0 0 211.608 2.184 10 30 BEEERN N#CC[C@@H](N)c1cccc(Br)c1 ZINC000071532012 181044913 /nfs/dbraw/zinc/04/49/13/181044913.db2.gz GITORGWRDGQHSI-SECBINFHSA-N 0 0 225.089 2.363 10 30 BEEERN N#CC[C@H](NC[C@@H](O)C1CC1)c1ccccc1 ZINC000071304880 181045657 /nfs/dbraw/zinc/04/56/57/181045657.db2.gz UDMFOCPUYMWTGV-UONOGXRCSA-N 0 0 230.311 2.002 10 30 BEEERN N#CC[C@H](N)c1ccccc1Br ZINC000071532018 181045829 /nfs/dbraw/zinc/04/58/29/181045829.db2.gz XNNKUONWNPAMDQ-VIFPVBQESA-N 0 0 225.089 2.363 10 30 BEEERN N#CC[C@H](O)COc1cccc2ccccc21 ZINC000033650117 181046399 /nfs/dbraw/zinc/04/63/99/181046399.db2.gz ASZJWZSLVVSBAH-LBPRGKRZSA-N 0 0 227.263 2.493 10 30 BEEERN N#CCn1c(=O)sc2ccc(Cl)cc21 ZINC000039292043 181050657 /nfs/dbraw/zinc/05/06/57/181050657.db2.gz KLCIFYGPPSOMBT-UHFFFAOYSA-N 0 0 224.672 2.240 10 30 BEEERN N#CCc1noc(-c2cc(F)ccc2F)n1 ZINC000073641477 181051112 /nfs/dbraw/zinc/05/11/12/181051112.db2.gz PLJQLTNPJPPZQX-UHFFFAOYSA-N 0 0 221.166 2.081 10 30 BEEERN N#C[C@@H](NC[C@@H]1CCCO1)c1ccccc1 ZINC000037855319 181057301 /nfs/dbraw/zinc/05/73/01/181057301.db2.gz PIIVHEIULAKQJI-QWHCGFSZSA-N 0 0 216.284 2.020 10 30 BEEERN N#C[C@@H](CO)Cc1ccc(Cl)s1 ZINC000063064096 181055223 /nfs/dbraw/zinc/05/52/23/181055223.db2.gz XRZPKRLZXLKNRW-LURJTMIESA-N 0 0 201.678 2.076 10 30 BEEERN N#C[C@@H](Cc1ccccc1)NCC(F)(F)F ZINC000037970942 181055278 /nfs/dbraw/zinc/05/52/78/181055278.db2.gz IXIWFVBLSUOWMJ-SNVBAGLBSA-N 0 0 228.217 2.273 10 30 BEEERN N#C[C@@H](N)CCSc1ccc(F)c(F)c1 ZINC000062451846 181055499 /nfs/dbraw/zinc/05/54/99/181055499.db2.gz XZGSUBLCXQXILI-ZETCQYMHSA-N 0 0 228.267 2.298 10 30 BEEERN N#C[C@@H](NC[C@H]1CCCO1)c1ccccc1F ZINC000037940186 181057459 /nfs/dbraw/zinc/05/74/59/181057459.db2.gz ZWCDCHYJYFSLFK-ZWNOBZJWSA-N 0 0 234.274 2.159 10 30 BEEERN N#C[C@@H](N)CSc1cccc(Cl)c1 ZINC000054186242 181056498 /nfs/dbraw/zinc/05/64/98/181056498.db2.gz LVUMCAVEKZMXBT-MRVPVSSYSA-N 0 0 212.705 2.283 10 30 BEEERN N#C[C@@H](N)CSc1ccc2c(c1)CCC2 ZINC000045365701 181056626 /nfs/dbraw/zinc/05/66/26/181056626.db2.gz NFPHQWYHDPXVKT-LLVKDONJSA-N 0 0 218.325 2.118 10 30 BEEERN N#C[C@@H](NCc1ccccc1)[C@@H]1CCCOC1 ZINC000104318637 181057506 /nfs/dbraw/zinc/05/75/06/181057506.db2.gz ZZZNCGXBCJDYEM-ZIAGYGMSSA-N 0 0 230.311 2.095 10 30 BEEERN N#CCc1ccc(NCc2ccncn2)cc1 ZINC000054789303 181048342 /nfs/dbraw/zinc/04/83/42/181048342.db2.gz JPZUBZRYUUICCA-UHFFFAOYSA-N 0 0 224.267 2.155 10 30 BEEERN N#CCc1ccc(N[C@@H]2CCC[C@H]2O)cc1 ZINC000051601557 181048546 /nfs/dbraw/zinc/04/85/46/181048546.db2.gz AYMSNKAZVOGNHK-CHWSQXEVSA-N 0 0 216.284 2.078 10 30 BEEERN N#C[C@H](CO)Cc1sccc1Br ZINC000063064201 181063604 /nfs/dbraw/zinc/06/36/04/181063604.db2.gz VHJVRVYLARHZTI-ZCFIWIBFSA-N 0 0 246.129 2.185 10 30 BEEERN N#C[C@H](CCO)c1cccc(Br)c1 ZINC000049830008 181064120 /nfs/dbraw/zinc/06/41/20/181064120.db2.gz XPBIWJJENLJYJL-VIFPVBQESA-N 0 0 240.100 2.439 10 30 BEEERN N#C[C@H](N)COc1ccc2ccccc2c1 ZINC000019665977 181064819 /nfs/dbraw/zinc/06/48/19/181064819.db2.gz LJDATLVQSSKKMG-LBPRGKRZSA-N 0 0 212.252 2.069 10 30 BEEERN N#C[C@H](Nc1ccc(F)cc1)[C@H]1CCOC1 ZINC000037935780 181065812 /nfs/dbraw/zinc/06/58/12/181065812.db2.gz RDCZTEFCEPWTJB-CABZTGNLSA-N 0 0 220.247 2.166 10 30 BEEERN N#C[C@H](NCc1ccccc1)c1cccnc1 ZINC000019985923 181066024 /nfs/dbraw/zinc/06/60/24/181066024.db2.gz LNHZTSNEPUAYFD-AWEZNQCLSA-N 0 0 223.279 2.436 10 30 BEEERN N#C[C@H](NCC(F)(F)F)c1ccc(O)cc1 ZINC000037971062 181066078 /nfs/dbraw/zinc/06/60/78/181066078.db2.gz YZWHYWLEBPBARX-VIFPVBQESA-N 0 0 230.189 2.109 10 30 BEEERN N#C[C@H](NC[C@H]1CCCO1)C1CCCCC1 ZINC000037939917 181066149 /nfs/dbraw/zinc/06/61/49/181066149.db2.gz QOYXMSUKHOQTKA-OLZOCXBDSA-N 0 0 222.332 2.227 10 30 BEEERN N#C[C@H](Nc1cccc(F)c1)[C@H]1CCOC1 ZINC000037936985 181066331 /nfs/dbraw/zinc/06/63/31/181066331.db2.gz VCJOAPQGLADVRN-CABZTGNLSA-N 0 0 220.247 2.166 10 30 BEEERN N#C[C@H](NCC1CC1)c1ccc2c(c1)OCCO2 ZINC000037946957 181066347 /nfs/dbraw/zinc/06/63/47/181066347.db2.gz XEPJFPBXRNOFJS-LBPRGKRZSA-N 0 0 244.294 2.022 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1n1cc([N+](=O)[O-])cn1 ZINC000043598202 181059195 /nfs/dbraw/zinc/05/91/95/181059195.db2.gz RUGWCYHCBIUQOX-WCBMZHEXSA-N 0 0 220.232 2.046 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccs1 ZINC000061888962 181059978 /nfs/dbraw/zinc/05/99/78/181059978.db2.gz FBSKKPBGUWKECF-IUCAKERBSA-N 0 0 220.297 2.170 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccs1 ZINC000061888961 181059999 /nfs/dbraw/zinc/05/99/99/181059999.db2.gz FBSKKPBGUWKECF-DTWKUNHWSA-N 0 0 220.297 2.170 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(F)cn1 ZINC000335285438 181060915 /nfs/dbraw/zinc/06/09/15/181060915.db2.gz WJGKABGWXBDTBX-JOYOIKCWSA-N 0 0 219.263 2.003 10 30 BEEERN N#C[C@@H]1C[C@H]2C[C@@H]1N(Cc1ccccc1)C2 ZINC000013464337 181061678 /nfs/dbraw/zinc/06/16/78/181061678.db2.gz HOUVLOCPFWAEHZ-IHRRRGAJSA-N 0 0 212.296 2.421 10 30 BEEERN N#C[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000057494073 181068546 /nfs/dbraw/zinc/06/85/46/181068546.db2.gz FSEZOOHTMDLOJN-LLVKDONJSA-N 0 0 206.289 2.081 10 30 BEEERN N#C[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000057526735 181069229 /nfs/dbraw/zinc/06/92/29/181069229.db2.gz GTYCZUAWACNSIZ-SECBINFHSA-N 0 0 236.221 2.093 10 30 BEEERN N#C[C@H]1CNc2cc(C(F)(F)F)ccc2O1 ZINC000075883189 181069460 /nfs/dbraw/zinc/06/94/60/181069460.db2.gz JWWPMOAUQQNTSX-ZETCQYMHSA-N 0 0 228.173 2.402 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1ccc(F)cn1 ZINC000335285436 181070068 /nfs/dbraw/zinc/07/00/68/181070068.db2.gz WJGKABGWXBDTBX-BXKDBHETSA-N 0 0 219.263 2.003 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000061892534 181070082 /nfs/dbraw/zinc/07/00/82/181070082.db2.gz PZBOAHROCBIZQW-ZIAGYGMSSA-N 0 0 242.322 2.403 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccs1 ZINC000061888959 181070108 /nfs/dbraw/zinc/07/01/08/181070108.db2.gz FBSKKPBGUWKECF-RKDXNWHRSA-N 0 0 220.297 2.170 10 30 BEEERN N#Cc1cc(-c2nc(CC3CCC3)no2)ccn1 ZINC000289261812 181081806 /nfs/dbraw/zinc/08/18/06/181081806.db2.gz QWVQXHALGFOGQB-UHFFFAOYSA-N 0 0 240.266 2.346 10 30 BEEERN N#Cc1cc(-c2n[nH]c3ccc(N)cc32)ccn1 ZINC000215918474 181082022 /nfs/dbraw/zinc/08/20/22/181082022.db2.gz RNFDAFNMBLLJRE-UHFFFAOYSA-N 0 0 235.250 2.079 10 30 BEEERN N#Cc1cc(=O)[nH]c2ccc(Cl)cc12 ZINC000077256070 181082043 /nfs/dbraw/zinc/08/20/43/181082043.db2.gz QJMOAVUQHPWUIL-UHFFFAOYSA-N 0 0 204.616 2.053 10 30 BEEERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1CCCOCC1 ZINC000330221008 133998381 /nfs/dbraw/zinc/99/83/81/133998381.db2.gz LGXHCPOKSAMDNV-TUAOUCFPSA-N 0 0 241.331 2.063 10 30 BEEERN N#Cc1c(N)sc2c1-c1ccccc1C2=O ZINC000082293208 181078386 /nfs/dbraw/zinc/07/83/86/181078386.db2.gz YXVHIHDDYICEGH-UHFFFAOYSA-N 0 0 226.260 2.413 10 30 BEEERN N#Cc1c2ccccc2c(=N)n2ccccc12 ZINC000005023929 181079377 /nfs/dbraw/zinc/07/93/77/181079377.db2.gz XXNGZMRXNDFSAN-UHFFFAOYSA-N 0 0 219.247 2.444 10 30 BEEERN N#Cc1cc(Br)c2c(c1)NCCO2 ZINC000039941569 181081362 /nfs/dbraw/zinc/08/13/62/181081362.db2.gz INUUVXZYMMASJZ-UHFFFAOYSA-N 0 0 239.072 2.125 10 30 BEEERN N#Cc1cc2sc(N)nc2c(Cl)c1 ZINC000145077342 181085581 /nfs/dbraw/zinc/08/55/81/181085581.db2.gz QWYCICFIQQOYLG-UHFFFAOYSA-N 0 0 209.661 2.404 10 30 BEEERN N#Cc1ccc(-c2ccccn2)c(C#N)c1 ZINC000090562887 181095835 /nfs/dbraw/zinc/09/58/35/181095835.db2.gz NWEPOAXECOBHNC-UHFFFAOYSA-N 0 0 205.220 2.492 10 30 BEEERN N#Cc1cc(N)ccc1OCCc1cccnc1 ZINC000063221509 181088924 /nfs/dbraw/zinc/08/89/24/181088924.db2.gz FTMZHEFJNCJOPH-UHFFFAOYSA-N 0 0 239.278 2.157 10 30 BEEERN N#Cc1cc(N)ccc1NC(=O)CC(F)(F)F ZINC000036737816 181088932 /nfs/dbraw/zinc/08/89/32/181088932.db2.gz YKRARELRMJPLLR-UHFFFAOYSA-N 0 0 243.188 2.031 10 30 BEEERN N#Cc1cc(N)cnc1NCc1ccccc1 ZINC000037758867 181088980 /nfs/dbraw/zinc/08/89/80/181088980.db2.gz STEXQJBPWXRHGG-UHFFFAOYSA-N 0 0 224.267 2.148 10 30 BEEERN N#Cc1cc(N)cnc1NCc1ccccc1F ZINC000037758905 181089133 /nfs/dbraw/zinc/08/91/33/181089133.db2.gz KLCZYSALUPEZCY-UHFFFAOYSA-N 0 0 242.257 2.287 10 30 BEEERN N#Cc1cc(N)ccc1-n1ncc2ccccc21 ZINC000050523855 181089197 /nfs/dbraw/zinc/08/91/97/181089197.db2.gz GTHOFHZQXICUIA-UHFFFAOYSA-N 0 0 234.262 2.479 10 30 BEEERN N#Cc1cc(N)ccc1NC(=O)c1ccsc1 ZINC000036737824 181089233 /nfs/dbraw/zinc/08/92/33/181089233.db2.gz IXIOBXARDIWPIW-UHFFFAOYSA-N 0 0 243.291 2.454 10 30 BEEERN N#Cc1cc(N)cnc1NCc1ccc(F)cc1 ZINC000037758897 181089682 /nfs/dbraw/zinc/08/96/82/181089682.db2.gz KUPKRNXFNMCJNF-UHFFFAOYSA-N 0 0 242.257 2.287 10 30 BEEERN N#Cc1ccc(-c2cccs2)nc1N ZINC000050871214 181095628 /nfs/dbraw/zinc/09/56/28/181095628.db2.gz RXTRFGXBWQRQGR-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N#Cc1cc(NC(=O)N2CC3(CC3)C2)ccc1F ZINC000333886397 181090343 /nfs/dbraw/zinc/09/03/43/181090343.db2.gz XPMYSJDATZIDKB-UHFFFAOYSA-N 0 0 245.257 2.325 10 30 BEEERN N#Cc1cc(N)cnc1OCCc1cccs1 ZINC000049584533 181090411 /nfs/dbraw/zinc/09/04/11/181090411.db2.gz KHENHHWQRMLDFV-UHFFFAOYSA-N 0 0 245.307 2.218 10 30 BEEERN N#Cc1cc(N)cnc1Nc1ccc(F)cc1 ZINC000037758994 181090500 /nfs/dbraw/zinc/09/05/00/181090500.db2.gz SQVHKBLGGIXHLE-UHFFFAOYSA-N 0 0 228.230 2.418 10 30 BEEERN N#Cc1cc(Oc2cc(F)ccc2N)ccn1 ZINC000061812368 181092293 /nfs/dbraw/zinc/09/22/93/181092293.db2.gz ZIKJJYMVESLMJK-UHFFFAOYSA-N 0 0 229.214 2.467 10 30 BEEERN N#Cc1cc2c(cc1Br)CCC2=O ZINC000095709702 181092854 /nfs/dbraw/zinc/09/28/54/181092854.db2.gz YRWAJAFDWCBLOV-UHFFFAOYSA-N 0 0 236.068 2.450 10 30 BEEERN N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc[nH]1 ZINC000051789018 181093390 /nfs/dbraw/zinc/09/33/90/181093390.db2.gz VTMDQOFOPNJZCZ-UHFFFAOYSA-N 0 0 242.238 2.407 10 30 BEEERN N#Cc1ccc(C(=O)CN2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049716358 181096927 /nfs/dbraw/zinc/09/69/27/181096927.db2.gz ZQEUTIVHYJSEPB-GXTWGEPZSA-N 0 0 240.306 2.225 10 30 BEEERN N#Cc1ccc(C(=O)Nc2ccccc2C#N)cn1 ZINC000114999900 181101529 /nfs/dbraw/zinc/10/15/29/181101529.db2.gz WUNMHQUPWRDLOX-UHFFFAOYSA-N 0 0 248.245 2.077 10 30 BEEERN N#Cc1ccc(NCCc2ccccn2)c(N)c1 ZINC000035674277 181121589 /nfs/dbraw/zinc/12/15/89/181121589.db2.gz IGSBFJJTEBMQCZ-UHFFFAOYSA-N 0 0 238.294 2.190 10 30 BEEERN N#Cc1ccc(NC2CCC(O)CC2)cc1 ZINC000034652622 181119130 /nfs/dbraw/zinc/11/91/30/181119130.db2.gz SPDKAHYHVRPFAI-UHFFFAOYSA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1ccc(NC2CCC(C(N)=O)CC2)cc1 ZINC000038092135 181119230 /nfs/dbraw/zinc/11/92/30/181119230.db2.gz NJJKOHCNUJTNLZ-UHFFFAOYSA-N 0 0 243.310 2.014 10 30 BEEERN N#Cc1ccc(NC2CCCC2)c(N)c1 ZINC000035674301 181119260 /nfs/dbraw/zinc/11/92/60/181119260.db2.gz HNXVLFWDLFQSJO-UHFFFAOYSA-N 0 0 201.273 2.495 10 30 BEEERN N#Cc1cccc(-c2cccc(=O)[nH]2)c1F ZINC000065339122 181133740 /nfs/dbraw/zinc/13/37/40/181133740.db2.gz OMMIZCHOMJGQQS-UHFFFAOYSA-N 0 0 214.199 2.053 10 30 BEEERN N#Cc1cccc(-c2ccc[nH]c2=O)c1F ZINC000065339118 181133850 /nfs/dbraw/zinc/13/38/50/181133850.db2.gz KTYCUFSAEXPUAP-UHFFFAOYSA-N 0 0 214.199 2.053 10 30 BEEERN N#Cc1cccc(C(=O)Nc2cccc(N)c2)c1 ZINC000019266406 181136151 /nfs/dbraw/zinc/13/61/51/181136151.db2.gz SMSRAQCVTSNDEO-UHFFFAOYSA-N 0 0 237.262 2.393 10 30 BEEERN N#Cc1cccc(C(=O)NC2(C#N)CCCC2)c1 ZINC000040215102 181136283 /nfs/dbraw/zinc/13/62/83/181136283.db2.gz KKBOVUUTSJJFDP-UHFFFAOYSA-N 0 0 239.278 2.124 10 30 BEEERN N#Cc1cccc(NC(=O)N2CCSC2)c1 ZINC000090567836 181139994 /nfs/dbraw/zinc/13/99/94/181139994.db2.gz FMKJVZUAIRIJQT-UHFFFAOYSA-N 0 0 233.296 2.096 10 30 BEEERN N#Cc1cccc(O[C@H]2CCCC[C@@H]2O)c1 ZINC000037691611 181143393 /nfs/dbraw/zinc/14/33/93/181143393.db2.gz SEISQONNRWDHFQ-STQMWFEESA-N 0 0 217.268 2.241 10 30 BEEERN N#Cc1cccnc1-c1ccc(C=O)s1 ZINC000075878493 181151023 /nfs/dbraw/zinc/15/10/23/181151023.db2.gz BWAKTXYUTCLANL-UHFFFAOYSA-N 0 0 214.249 2.494 10 30 BEEERN N#Cc1ccccc1NC1CCOCC1 ZINC000036304016 181147716 /nfs/dbraw/zinc/14/77/16/181147716.db2.gz GGCGBOJAGYPJKD-UHFFFAOYSA-N 0 0 202.257 2.149 10 30 BEEERN N#Cc1ccccc1NC(=O)c1ccccc1N ZINC000010169486 181147744 /nfs/dbraw/zinc/14/77/44/181147744.db2.gz MVHQQZPDBKJUKW-UHFFFAOYSA-N 0 0 237.262 2.393 10 30 BEEERN N#Cc1ccccc1NC(=O)c1ccc(N)cc1 ZINC000020193571 181148362 /nfs/dbraw/zinc/14/83/62/181148362.db2.gz URQYRQXGNUAWKX-UHFFFAOYSA-N 0 0 237.262 2.393 10 30 BEEERN N#Cc1ccccc1NCCCCCO ZINC000049812914 181148482 /nfs/dbraw/zinc/14/84/82/181148482.db2.gz MJPAUYXGSKKMEV-UHFFFAOYSA-N 0 0 204.273 2.133 10 30 BEEERN N#Cc1ccccc1OCCCCCO ZINC000051020328 181149256 /nfs/dbraw/zinc/14/92/56/181149256.db2.gz BQMNTWUASBADHD-UHFFFAOYSA-N 0 0 205.257 2.100 10 30 BEEERN N#Cc1ccccc1N[C@@H]1CCCC[C@H]1O ZINC000037691217 181149388 /nfs/dbraw/zinc/14/93/88/181149388.db2.gz SUKZTPCPZXDASQ-CHWSQXEVSA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1cccnc1Sc1ccncc1N ZINC000050472082 181154209 /nfs/dbraw/zinc/15/42/09/181154209.db2.gz WCWFYQRIKPXXQU-UHFFFAOYSA-N 0 0 228.280 2.082 10 30 BEEERN N#Cc1cccnc1SC1CCOCC1 ZINC000062054335 181154307 /nfs/dbraw/zinc/15/43/07/181154307.db2.gz CDKYRZCTXFNVSN-UHFFFAOYSA-N 0 0 220.297 2.224 10 30 BEEERN N#Cc1ccnc(NC2CCCCC2)n1 ZINC000014972126 181156517 /nfs/dbraw/zinc/15/65/17/181156517.db2.gz SOIZAJGZULPDSF-UHFFFAOYSA-N 0 0 202.261 2.093 10 30 in-vivo BEEERN COCCCCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000234631106 363426975 /nfs/dbraw/zinc/42/69/75/363426975.db2.gz BVALMMDHOOAJGA-RYUDHWBXSA-N 0 0 210.321 2.085 10 30 BEEERN C#Cc1cc(Br)c(O)c(OC)c1 ZINC000130598986 363436013 /nfs/dbraw/zinc/43/60/13/363436013.db2.gz CVRDRYFFCUCMTJ-UHFFFAOYSA-N 0 0 227.057 2.145 10 30 BEEERN N#Cc1cnc(N[C@H]2CCc3ccccc32)cn1 ZINC000133037778 181163602 /nfs/dbraw/zinc/16/36/02/181163602.db2.gz PHEKKZKAZRHMNR-ZDUSSCGKSA-N 0 0 236.278 2.448 10 30 BEEERN N#Cc1cnc(Nc2ccccn2)s1 ZINC000014945030 181163898 /nfs/dbraw/zinc/16/38/98/181163898.db2.gz DJUPCZRMXNBXKZ-UHFFFAOYSA-N 0 0 202.242 2.153 10 30 BEEERN N#Cc1cnn2c1nc(C(F)(F)F)cc2Cl ZINC000040435162 181165727 /nfs/dbraw/zinc/16/57/27/181165727.db2.gz ZUXKROJKVNIMEB-UHFFFAOYSA-N 0 0 246.579 2.273 10 30 BEEERN N#Cc1nccnc1-n1cc(-c2ccccc2)cn1 ZINC000054961360 181173411 /nfs/dbraw/zinc/17/34/11/181173411.db2.gz FILGWNFYGGNVFL-UHFFFAOYSA-N 0 0 247.261 2.201 10 30 BEEERN N/C(=N/O)c1cc(OC2CCCCCC2)ccn1 ZINC000061814206 181179608 /nfs/dbraw/zinc/17/96/08/181179608.db2.gz FGDUADKKUYFVLH-UHFFFAOYSA-N 0 0 249.314 2.278 10 30 BEEERN N/C(=N\O)c1cccc(OC2CCCC2)c1 ZINC000019512654 181180879 /nfs/dbraw/zinc/18/08/79/181180879.db2.gz NTFUCVROYMFBSM-UHFFFAOYSA-N 0 0 220.272 2.103 10 30 BEEERN N/C(=N\O)c1ccc(Oc2cccc(F)c2)nc1 ZINC000019518373 181180938 /nfs/dbraw/zinc/18/09/38/181180938.db2.gz XZRPLXRQQCXSSQ-UHFFFAOYSA-N 0 0 247.229 2.108 10 30 BEEERN N/C(=N\O)c1ccc(Sc2ccccc2)nc1 ZINC000019847712 181180954 /nfs/dbraw/zinc/18/09/54/181180954.db2.gz BEKTXNHEICHNTI-UHFFFAOYSA-N 0 0 245.307 2.327 10 30 BEEERN N/C(=N\O)Nc1ccccc1Cc1ccccc1 ZINC000052833148 181180966 /nfs/dbraw/zinc/18/09/66/181180966.db2.gz LIEUQYGIGZIQFC-UHFFFAOYSA-N 0 0 241.294 2.393 10 30 BEEERN N/C(CCCCOc1ccc(F)cc1F)=N/O ZINC000049580411 181183076 /nfs/dbraw/zinc/18/30/76/181183076.db2.gz DWLWMZKJQXMDPQ-UHFFFAOYSA-N 0 0 244.241 2.260 10 30 BEEERN C=C[C@](C)(CC[C@H]1OC1(C)C)OC(C)=O ZINC000005166473 355355951 /nfs/dbraw/zinc/35/59/51/355355951.db2.gz SVXOLLYBCSDBKK-ZYHUDNBSSA-N 0 0 212.289 2.452 10 30 BEEERN CC[C@@H](C)[C@@H](C=O)NC(=O)OC(C)(C)C ZINC000011974806 355770063 /nfs/dbraw/zinc/77/00/63/355770063.db2.gz YJAAJMSZVZJPOQ-RKDXNWHRSA-N 0 0 215.293 2.125 10 30 BEEERN CCCCCn1nc(C)c(/C=N\O)c1C ZINC000100174137 168751899 /nfs/dbraw/zinc/75/18/99/168751899.db2.gz QNQUEKCOUCXCDS-WQLSENKSSA-N 0 0 209.293 2.498 10 30 BEEERN C=CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109079956 355849890 /nfs/dbraw/zinc/84/98/90/355849890.db2.gz FJLHBDWTHWUIBK-UWVGGRQHSA-N 0 0 237.249 2.371 10 30 BEEERN C#CCNc1ccc(Br)cc1C#N ZINC000168501523 355858254 /nfs/dbraw/zinc/85/82/54/355858254.db2.gz MOXKWGGQVUNRMG-UHFFFAOYSA-N 0 0 235.084 2.366 10 30 BEEERN C=CCn1c2ccccc2c(=O)[nH]c1=S ZINC000034485134 191969924 /nfs/dbraw/zinc/96/99/24/191969924.db2.gz HUQIAJNFFBTBSL-UHFFFAOYSA-N 0 0 218.281 2.245 10 30 BEEERN C[C@]1(NC(=O)[C@H]2CCCCC(=O)N2)CCOC1 ZINC000329832741 356127383 /nfs/dbraw/zinc/12/73/83/356127383.db2.gz GDFYUUFGYOHNDE-SKDRFNHKSA-N 0 0 240.303 2.021 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000330213865 356184871 /nfs/dbraw/zinc/18/48/71/356184871.db2.gz LFNJBZGLIAIZRO-GMTAPVOTSA-N 0 0 240.347 2.246 10 30 BEEERN CC[C@@H]1CCN1CC(=O)Nc1cc(C)no1 ZINC000330269052 356195847 /nfs/dbraw/zinc/19/58/47/356195847.db2.gz JAZABQLITDPYOO-SECBINFHSA-N 0 0 223.276 2.055 10 30 BEEERN COCc1ccc(CN[C@H]2CCC[C@@H]2C#N)o1 ZINC000350388123 366276508 /nfs/dbraw/zinc/27/65/08/366276508.db2.gz GROOHAIRCCEFGM-MFKMUULPSA-N 0 0 234.299 2.208 10 30 BEEERN Cn1c(C#N)ccc1-c1ccc(NC#N)cc1 ZINC000090569024 363492176 /nfs/dbraw/zinc/49/21/76/363492176.db2.gz VKJHOXKOUOSZLA-UHFFFAOYSA-N 0 0 222.251 2.457 10 30 BEEERN N#Cc1cc2c(F)c(F)c(F)cc2[nH]c1=O ZINC000675068280 538496189 /nfs/dbraw/zinc/49/61/89/538496189.db2.gz VUWWJJPFYOIISD-UHFFFAOYSA-N 0 0 224.141 2.229 10 30 BEEERN COc1ncccc1-c1ccc(C#N)c(F)n1 ZINC000675073401 538505592 /nfs/dbraw/zinc/50/55/92/538505592.db2.gz OTKQMUMZDQTWGE-UHFFFAOYSA-N 0 0 229.214 2.163 10 30 BEEERN Cc1cn(CCCC(C)(C)C#N)nc1N ZINC000083641194 538515658 /nfs/dbraw/zinc/51/56/58/538515658.db2.gz JWUSJFASVHZSFJ-UHFFFAOYSA-N 0 0 206.293 2.104 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1c(O)cccc1F ZINC000675079013 538517487 /nfs/dbraw/zinc/51/74/87/538517487.db2.gz PCKVYKRCDNRGJU-UHFFFAOYSA-N 0 0 236.242 2.225 10 30 BEEERN CNc1ccc(C#CC(=O)OC(C)(C)C)cc1N ZINC000675079708 538518902 /nfs/dbraw/zinc/51/89/02/538518902.db2.gz WUINMLIMFWUTOH-UHFFFAOYSA-N 0 0 246.310 2.004 10 30 BEEERN C#CCN1c2cccc3cccc(c23)C1=O ZINC000034384129 356701958 /nfs/dbraw/zinc/70/19/58/356701958.db2.gz COBOQIAXGQOYQQ-UHFFFAOYSA-N 0 0 207.232 2.433 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@@]12CC[C@@H](C)C2 ZINC000220828019 538548038 /nfs/dbraw/zinc/54/80/38/538548038.db2.gz MOMXZDBPXYHREO-JLLWLGSASA-N 0 0 212.289 2.287 10 30 BEEERN C=C(C)COc1cc([N+](=O)[O-])ccc1O ZINC000035051301 356703598 /nfs/dbraw/zinc/70/35/98/356703598.db2.gz ZTAWMIUXJQLMDA-UHFFFAOYSA-N 0 0 209.201 2.255 10 30 BEEERN C=CCOC(=O)c1ccc([C@@H](C)O)cc1 ZINC000034723773 356703609 /nfs/dbraw/zinc/70/36/09/356703609.db2.gz MFZCPUORDJCEIX-SECBINFHSA-N 0 0 206.241 2.083 10 30 BEEERN COC(=O)[C@@]1(C(C)C)O[C@]1(C)CC(C)C ZINC000086182674 538552600 /nfs/dbraw/zinc/55/26/00/538552600.db2.gz ABDZCMMYFTYHAQ-VXGBXAGGSA-N 0 0 214.305 2.389 10 30 BEEERN C=C(Br)CN[C@@H]1CCC[C@@H]1C#N ZINC000168273754 356708702 /nfs/dbraw/zinc/70/87/02/356708702.db2.gz BDXRFQJZUHUWKR-RKDXNWHRSA-N 0 0 229.121 2.177 10 30 BEEERN COC(=O)[C@@H]1O[C@]12CCC[C@H](C(F)(F)F)C2 ZINC000084324087 538530042 /nfs/dbraw/zinc/53/00/42/538530042.db2.gz ZRXXFHQUYSJORZ-ZKWXMUAHSA-N 0 0 238.205 2.050 10 30 BEEERN C#C[C@](C)(CC)Oc1nsnc1Cl ZINC000306160327 356696071 /nfs/dbraw/zinc/69/60/71/356696071.db2.gz MBXCQLOMVOWLTH-MRVPVSSYSA-N 0 0 216.693 2.372 10 30 BEEERN COC1=CC(=O)C2=C(C[C@@H](C)[C@@H](C)C2)C1=O ZINC000079745895 363570438 /nfs/dbraw/zinc/57/04/38/363570438.db2.gz KGRYRNSUDOMZRZ-JGVFFNPUSA-N 0 0 220.268 2.031 10 30 BEEERN COC1=CC(=O)C2=C(C[C@@H](C)[C@H](C)C2)C1=O ZINC000079745891 363570195 /nfs/dbraw/zinc/57/01/95/363570195.db2.gz KGRYRNSUDOMZRZ-HTQZYQBOSA-N 0 0 220.268 2.031 10 30 BEEERN O=CCCc1cc(Cl)cc2c1OCC2 ZINC000160487643 357000175 /nfs/dbraw/zinc/00/01/75/357000175.db2.gz AKCRQCHDIOHNNP-UHFFFAOYSA-N 0 0 210.660 2.406 10 30 BEEERN CCn1ccnc1CN[C@H]1CCCC[C@@H]1C#N ZINC000385257175 357034612 /nfs/dbraw/zinc/03/46/12/357034612.db2.gz XBAWUUDPTMFJGU-NEPJUHHUSA-N 0 0 232.331 2.075 10 30 BEEERN N#CCCC(C=O)(CCC#N)CCC#N ZINC000001647589 357053341 /nfs/dbraw/zinc/05/33/41/357053341.db2.gz RXSREDSJLRURFJ-UHFFFAOYSA-N 0 0 203.245 2.083 10 30 BEEERN C#CC(=O)c1csc(Br)c1 ZINC000160694794 357177235 /nfs/dbraw/zinc/17/72/35/357177235.db2.gz DUPRJZIPNOGHSU-UHFFFAOYSA-N 0 0 215.071 2.327 10 30 BEEERN N#C[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000079809405 363582233 /nfs/dbraw/zinc/58/22/33/363582233.db2.gz OAUXEZWEPGVQEV-GFCCVEGCSA-N 0 0 214.268 2.205 10 30 BEEERN C=CCC1(C(=O)N[C@H](C)[C@@H]2CCCO2)CCC1 ZINC000188597282 357542112 /nfs/dbraw/zinc/54/21/12/357542112.db2.gz ZVLKRLLFYJDJKG-NEPJUHHUSA-N 0 0 237.343 2.417 10 30 BEEERN C=C(C)CN(CC)C(=O)[C@H]1CCCO[C@H]1C ZINC000188504937 357557755 /nfs/dbraw/zinc/55/77/55/357557755.db2.gz MHEKQOMBDKKFAP-RYUDHWBXSA-N 0 0 225.332 2.226 10 30 BEEERN C=C(Cl)CNC(=O)c1cnccc1Cl ZINC000160733846 357930621 /nfs/dbraw/zinc/93/06/21/357930621.db2.gz VSFYPGQJFUBERF-UHFFFAOYSA-N 0 0 231.082 2.217 10 30 BEEERN CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1C#N ZINC000610496203 357956192 /nfs/dbraw/zinc/95/61/92/357956192.db2.gz ROUJAQJFEWDUBG-IUCAKERBSA-N 0 0 230.258 2.230 10 30 BEEERN CC[C@@H](C#N)NC(=O)CCc1ccc(C)cc1 ZINC000052945856 535390971 /nfs/dbraw/zinc/39/09/71/535390971.db2.gz PQZHROAYYAIQFZ-ZDUSSCGKSA-N 0 0 230.311 2.346 10 30 BEEERN C[C@H](C#N)NC(=O)N(C)c1ccc(Cl)cc1 ZINC000584613415 358277605 /nfs/dbraw/zinc/27/76/05/358277605.db2.gz OVKYLIMTCKLDIN-MRVPVSSYSA-N 0 0 237.690 2.398 10 30 BEEERN O=C1C=C([C@@H]2CCCOC2)c2ccccc2C1=O ZINC000584614599 358279329 /nfs/dbraw/zinc/27/93/29/358279329.db2.gz RXKDFAALDFKMKY-SNVBAGLBSA-N 0 0 242.274 2.262 10 30 BEEERN O[C@@H](C/N=C/c1ccncc1)c1ccccc1 ZINC000584596006 358253635 /nfs/dbraw/zinc/25/36/35/358253635.db2.gz IBIBHXYUBGAGHA-KNGSKEOJSA-N 0 0 226.279 2.234 10 30 BEEERN C=CCc1c(O)cc(OC)cc1C(=O)OCC ZINC000584597597 358255405 /nfs/dbraw/zinc/25/54/05/358255405.db2.gz CMAGKUBHYINCSG-UHFFFAOYSA-N 0 0 236.267 2.306 10 30 BEEERN C#C[C@@](OC(C)=O)(C(C)C)C1(C#N)CCC1 ZINC000584600643 358257099 /nfs/dbraw/zinc/25/70/99/358257099.db2.gz VKLJQZWRGDBMOU-CYBMUJFWSA-N 0 0 219.284 2.271 10 30 BEEERN C=CC[C@H](C)[C@H](CC1CCC1)S(N)(=O)=O ZINC000584600283 358257104 /nfs/dbraw/zinc/25/71/04/358257104.db2.gz FQGUIFDAZPUIDZ-ONGXEEELSA-N 0 0 231.361 2.046 10 30 BEEERN Cc1cccc([C@@H](C(=O)[O-])[N+](C)(C)C)c1C ZINC000584602078 358259342 /nfs/dbraw/zinc/25/93/42/358259342.db2.gz CLBLAORUYWEKHR-LBPRGKRZSA-O 0 0 222.308 2.135 10 30 BEEERN C#C[C@](O)(c1ccc(Cl)cc1)C1(C#N)CC1 ZINC000584602859 358260589 /nfs/dbraw/zinc/26/05/89/358260589.db2.gz GAXYGKLCDDNZMH-ZDUSSCGKSA-N 0 0 231.682 2.465 10 30 BEEERN COc1cc(C=CC(O)=CC(C)=O)ccc1O ZINC000584615617 358280307 /nfs/dbraw/zinc/28/03/07/358280307.db2.gz UZNXOLRJQYIWAH-PKWCJPJFSA-N 0 0 234.251 2.445 10 30 BEEERN Cc1ccc(OC[C@H](C)NC=NC#N)cc1C ZINC000584605487 358264259 /nfs/dbraw/zinc/26/42/59/358264259.db2.gz SEOZFTVDWVJJQT-LBPRGKRZSA-N 0 0 231.299 2.170 10 30 BEEERN CC(C)(C=O)[C@@H](C[N+](=O)[O-])c1ccccc1F ZINC000584610589 358273722 /nfs/dbraw/zinc/27/37/22/358273722.db2.gz WQJSAYDZLALTBS-JTQLQIEISA-N 0 0 239.246 2.411 10 30 BEEERN C#CCCC[S@](=O)c1ccc(OC)cc1 ZINC000584620031 358286735 /nfs/dbraw/zinc/28/67/35/358286735.db2.gz WEMFRBZPIVJERJ-HNNXBMFYSA-N 0 0 222.309 2.216 10 30 BEEERN CC[C@H](CO)Nc1ccc2c(C#N)nccc2c1 ZINC000584619913 358287079 /nfs/dbraw/zinc/28/70/79/358287079.db2.gz MHMLYXGZJDKYNZ-LLVKDONJSA-N 0 0 241.294 2.289 10 30 BEEERN COc1cccc2c1C=C(C[C@H](N)C#N)CC2 ZINC000584626741 358296205 /nfs/dbraw/zinc/29/62/05/358296205.db2.gz BHKDIJZTSCKQSM-LBPRGKRZSA-N 0 0 228.295 2.266 10 30 BEEERN C=CC[C@H](Cc1ccccn1)C(=O)OCC ZINC000584629150 358298632 /nfs/dbraw/zinc/29/86/32/358298632.db2.gz INWYXMUSDTWEBN-LLVKDONJSA-N 0 0 219.284 2.380 10 30 BEEERN O=C(OC1=CC(=O)CC1)c1cccc(F)c1 ZINC000584629964 358299037 /nfs/dbraw/zinc/29/90/37/358299037.db2.gz ULPZYQVTTJIKRK-UHFFFAOYSA-N 0 0 220.199 2.229 10 30 BEEERN C#CCOC[C@@H]1O[C@H]1c1ccc(Cl)cc1 ZINC000584656950 358309007 /nfs/dbraw/zinc/30/90/07/358309007.db2.gz MCILUJVUIYQETH-RYUDHWBXSA-N 0 0 222.671 2.430 10 30 BEEERN COC(=O)c1c(C#N)c(C#N)oc1-c1ccco1 ZINC000584661005 358311989 /nfs/dbraw/zinc/31/19/89/358311989.db2.gz JGQOWMMYQKRJHU-UHFFFAOYSA-N 0 0 242.190 2.070 10 30 BEEERN C#C[C@]1(O)C[C@H]2CCc3cc(OC)ccc3[C@H]2C1 ZINC000584616988 358281444 /nfs/dbraw/zinc/28/14/44/358281444.db2.gz FFILOGKGEMCWCM-KCXAZCMYSA-N 0 0 242.318 2.499 10 30 BEEERN C=CCn1cc([S@](=O)c2ccccc2)cn1 ZINC000584616669 358281522 /nfs/dbraw/zinc/28/15/22/358281522.db2.gz RKFOABAJZVTQMK-MRXNPFEDSA-N 0 0 232.308 2.236 10 30 BEEERN C[C@@H]1CCC(=O)N1c1ccc(C#N)cc1 ZINC000584633465 358317093 /nfs/dbraw/zinc/31/70/93/358317093.db2.gz ORRANJNCFQNPDW-SECBINFHSA-N 0 0 200.241 2.074 10 30 BEEERN C=C[C@@]1(c2ccc(OC)cc2)COC(=O)O1 ZINC000584634595 358318985 /nfs/dbraw/zinc/31/89/85/358318985.db2.gz PIABCOMXDCZXJS-LBPRGKRZSA-N 0 0 220.224 2.243 10 30 BEEERN N#Cc1ccncc1OC(=O)c1ccccc1 ZINC000584635864 358319971 /nfs/dbraw/zinc/31/99/71/358319971.db2.gz HJFFVMJARJGAII-UHFFFAOYSA-N 0 0 224.219 2.172 10 30 BEEERN C=C(Br)[C@H]1CN=C(c2ccco2)O1 ZINC000584637076 358322222 /nfs/dbraw/zinc/32/22/22/358322222.db2.gz QDAPYAPGMDTCRY-MRVPVSSYSA-N 0 0 242.072 2.334 10 30 BEEERN C=C(Br)[C@@H]1CN=C(c2ccco2)O1 ZINC000584637077 358322345 /nfs/dbraw/zinc/32/23/45/358322345.db2.gz QDAPYAPGMDTCRY-QMMMGPOBSA-N 0 0 242.072 2.334 10 30 BEEERN CCCn1cc(CN[C@H](CC)CC#N)cn1 ZINC000135041336 325390503 /nfs/dbraw/zinc/39/05/03/325390503.db2.gz QTOLYRUNRUIOCQ-GFCCVEGCSA-N 0 0 220.320 2.075 10 30 BEEERN C=C(Br)CN1CCC2(CCO2)CC1 ZINC000307224274 358439677 /nfs/dbraw/zinc/43/96/77/358439677.db2.gz SJVYSCPCUYOZTB-UHFFFAOYSA-N 0 0 246.148 2.150 10 30 BEEERN C=CCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128095510 358570480 /nfs/dbraw/zinc/57/04/80/358570480.db2.gz XFCNNWHFYWSGPZ-JSGCOSHPSA-N 0 0 237.343 2.106 10 30 BEEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)co1 ZINC000130327112 358618446 /nfs/dbraw/zinc/61/84/46/358618446.db2.gz FAPGXLPSRUYPNS-KOLCDFICSA-N 0 0 218.256 2.010 10 30 BEEERN C=C[C@@H](C)NC(=O)Cc1cnc2ccccc2c1 ZINC000131752883 358691742 /nfs/dbraw/zinc/69/17/42/358691742.db2.gz PCPFBKUWNJWYSK-LLVKDONJSA-N 0 0 240.306 2.468 10 30 BEEERN CCCn1cc(CN(C)[C@H](C)CC#N)cn1 ZINC000132283612 358714813 /nfs/dbraw/zinc/71/48/13/358714813.db2.gz ZHNBZMZNXFPZLB-LLVKDONJSA-N 0 0 220.320 2.027 10 30 BEEERN N#CCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000052035030 358771663 /nfs/dbraw/zinc/77/16/63/358771663.db2.gz FBDIOCVZGJPUTE-ZDUSSCGKSA-N 0 0 218.275 2.356 10 30 BEEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccoc1 ZINC000134058097 358778368 /nfs/dbraw/zinc/77/83/68/358778368.db2.gz DLJJAOAUFXEPPO-UHFFFAOYSA-N 0 0 247.216 2.399 10 30 BEEERN C#CC[C@@H](C)NC(=O)[C@H]1CCOc2ccccc21 ZINC000135323373 358831508 /nfs/dbraw/zinc/83/15/08/358831508.db2.gz MJZZNMYDAZAYLV-YPMHNXCESA-N 0 0 243.306 2.081 10 30 BEEERN COc1cccc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000054825533 358876294 /nfs/dbraw/zinc/87/62/94/358876294.db2.gz ZXOGPAQRPQXUDY-TZMCWYRMSA-N 0 0 230.311 2.477 10 30 BEEERN C[N@H+](Cc1ccccc1)[C@H]1CCC[C@](N)(C#N)C1 ZINC000403386664 358944114 /nfs/dbraw/zinc/94/41/14/358944114.db2.gz GNXNWHLJDILBAO-LSDHHAIUSA-N 0 0 243.354 2.282 10 30 BEEERN C#C[C@@](C)(CC)Oc1nsnc1Cl ZINC000306160332 358958212 /nfs/dbraw/zinc/95/82/12/358958212.db2.gz MBXCQLOMVOWLTH-QMMMGPOBSA-N 0 0 216.693 2.372 10 30 BEEERN Cc1ncc([C@H]2CC[C@@](C)(C=O)O2)s1 ZINC000306205828 359294710 /nfs/dbraw/zinc/29/47/10/359294710.db2.gz PDHWNRCDTGXRQZ-SCZZXKLOSA-N 0 0 211.286 2.261 10 30 BEEERN Cc1ncc([C@@H]2CC[C@](C)(C=O)O2)s1 ZINC000306205829 359294732 /nfs/dbraw/zinc/29/47/32/359294732.db2.gz PDHWNRCDTGXRQZ-WCBMZHEXSA-N 0 0 211.286 2.261 10 30 BEEERN CC(C)(C)C(C)(C)NC(=O)C#CBr ZINC000306317296 359597629 /nfs/dbraw/zinc/59/76/29/359597629.db2.gz GCPSTWXYUTYILA-UHFFFAOYSA-N 0 0 246.148 2.283 10 30 BEEERN C#CCN(C)c1ccc(C#N)cc1Br ZINC000169189187 359701277 /nfs/dbraw/zinc/70/12/77/359701277.db2.gz JJOITASKWPPKES-UHFFFAOYSA-N 0 0 249.111 2.390 10 30 BEEERN N#Cc1cc(Br)cc(OC(F)F)n1 ZINC000306383419 359735400 /nfs/dbraw/zinc/73/54/00/359735400.db2.gz YMLXEQVWWHWFGD-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN C[C@@H](/C(N)=N/O)c1ccc(Br)cc1 ZINC000306386967 359741807 /nfs/dbraw/zinc/74/18/07/359741807.db2.gz LYEROOWTFVOBRA-ZCFIWIBFSA-N 0 0 243.104 2.299 10 30 BEEERN Cc1cc(C#N)cc(NCC[C@@H]2CCCO2)n1 ZINC000161024680 359776919 /nfs/dbraw/zinc/77/69/19/359776919.db2.gz YIIFXXLJIBRYTK-LBPRGKRZSA-N 0 0 231.299 2.243 10 30 BEEERN C#CC(C)(C)n1ccc2c1CCCC2=O ZINC000069682769 359770160 /nfs/dbraw/zinc/77/01/60/359770160.db2.gz JRCRRHPKDRXHBJ-UHFFFAOYSA-N 0 0 201.269 2.375 10 30 BEEERN CC[C@@](C)(C#N)c1ncncc1Br ZINC000306424940 359866955 /nfs/dbraw/zinc/86/69/55/359866955.db2.gz LOSWNOBJASOEGW-VIFPVBQESA-N 0 0 240.104 2.430 10 30 BEEERN C[C@@H](C#N)N1CCC[C@@H](C(F)(F)F)C1 ZINC000217851788 359892155 /nfs/dbraw/zinc/89/21/55/359892155.db2.gz XGHIOWDEQRSEMZ-JGVFFNPUSA-N 0 0 206.211 2.173 10 30 BEEERN CCC#C[C@@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000309157502 491145734 /nfs/dbraw/zinc/14/57/34/491145734.db2.gz XSXWCKCJAZJTFL-KOLCDFICSA-N 0 0 206.289 2.436 10 30 BEEERN O=C[C@@H]1CC[C@H](c2c(F)cccc2F)O1 ZINC000306445823 360008872 /nfs/dbraw/zinc/00/88/72/360008872.db2.gz TVHLUUGSEHTPBZ-OIBJUYFYSA-N 0 0 212.195 2.384 10 30 BEEERN O=C[C@H](O)c1c(Cl)cccc1Br ZINC000306456409 360047340 /nfs/dbraw/zinc/04/73/40/360047340.db2.gz SGEYYDTXZFTHDT-ZETCQYMHSA-N 0 0 249.491 2.335 10 30 BEEERN C[C@@]1(c2ncc(C#N)c(Cl)n2)CCCO1 ZINC000306459911 360057260 /nfs/dbraw/zinc/05/72/60/360057260.db2.gz DZRVFKBJXOIIEC-JTQLQIEISA-N 0 0 223.663 2.027 10 30 BEEERN O=C[C@]1(CCOCc2ccccc2)CCOC1 ZINC000306468010 360080704 /nfs/dbraw/zinc/08/07/04/360080704.db2.gz MYYQLQAUNOKVLL-AWEZNQCLSA-N 0 0 234.295 2.199 10 30 BEEERN CC(C)OC1(C=O)Cc2ccccc2C1 ZINC000306476893 360111422 /nfs/dbraw/zinc/11/14/22/360111422.db2.gz YKLLDGMLLFGWFC-UHFFFAOYSA-N 0 0 204.269 2.148 10 30 BEEERN C=C(Br)CNC(=O)[C@@H]1C=CCCC1 ZINC000306496141 360222848 /nfs/dbraw/zinc/22/28/48/360222848.db2.gz XCSNRNFVPWLKTI-SECBINFHSA-N 0 0 244.132 2.368 10 30 BEEERN CC1(C(=O)N[C@H]2CCC[C@@H]2C#N)CCCC1 ZINC000093695676 360272529 /nfs/dbraw/zinc/27/25/29/360272529.db2.gz VFILGAVAZOLMGX-MNOVXSKESA-N 0 0 220.316 2.375 10 30 BEEERN C[C@H]1CCN(C2=CC(=O)CC2)CCS1 ZINC000306566005 360445328 /nfs/dbraw/zinc/44/53/28/360445328.db2.gz YHMFISLNSBRVDH-VIFPVBQESA-N 0 0 211.330 2.061 10 30 BEEERN C#CCC[C@H](O)c1coc(Br)c1 ZINC000306544633 360415305 /nfs/dbraw/zinc/41/53/05/360415305.db2.gz VJCDRJLNRZPLQR-QMMMGPOBSA-N 0 0 229.073 2.489 10 30 BEEERN CC(C)(C)C#CCC(=O)C[C@H]1CCOC1 ZINC000300729321 360415708 /nfs/dbraw/zinc/41/57/08/360415708.db2.gz FEDJEEXIHTZNHA-LLVKDONJSA-N 0 0 208.301 2.422 10 30 BEEERN C=C[C@@H](C)n1c2cnccc2[nH]c1=S ZINC000306548636 360418750 /nfs/dbraw/zinc/41/87/50/360418750.db2.gz CWUCPWFGWDONHM-SSDOTTSWSA-N 0 0 205.286 2.467 10 30 BEEERN CC(C)(C)C=C=CC(=O)c1ccnnc1 ZINC000300769443 360469530 /nfs/dbraw/zinc/46/95/30/360469530.db2.gz PJADIKKGDKXDHC-UHFFFAOYSA-N 0 0 202.257 2.099 10 30 BEEERN Cc1cccc(NC2(C#N)CSC2)c1 ZINC000306587195 360493146 /nfs/dbraw/zinc/49/31/46/360493146.db2.gz RZKUEZQYORVONR-UHFFFAOYSA-N 0 0 204.298 2.416 10 30 BEEERN C[C@@H]1C[C@]2(CO2)C[N@@H+]1Cc1ccccc1 ZINC000306598817 360518527 /nfs/dbraw/zinc/51/85/27/360518527.db2.gz YCVNBLNJZNUSFL-DGCLKSJQSA-N 0 0 203.285 2.050 10 30 BEEERN C[Si](C)(C)C#Cc1ccnc([N+](=O)[O-])c1 ZINC000299889291 219823895 /nfs/dbraw/zinc/82/38/95/219823895.db2.gz HBBZTYICSWSODZ-UHFFFAOYSA-N 0 0 220.304 2.219 10 30 BEEERN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C=O)C1 ZINC000238150531 360625483 /nfs/dbraw/zinc/62/54/83/360625483.db2.gz BYAGFJSHNKNYTR-MRVPVSSYSA-N 0 0 249.257 2.078 10 30 BEEERN CCc1c(F)c(C#N)ccc1C(=O)OC ZINC000238298448 360790256 /nfs/dbraw/zinc/79/02/56/360790256.db2.gz VTYQDIJOXZMUGW-UHFFFAOYSA-N 0 0 207.204 2.046 10 30 BEEERN Cc1ccc(CC#N)c(OC(F)(F)F)n1 ZINC000238463549 361086936 /nfs/dbraw/zinc/08/69/36/361086936.db2.gz JHBQKNZLGXWUCV-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1cc(C#N)c(OC(F)(F)F)cn1 ZINC000238478995 361098270 /nfs/dbraw/zinc/09/82/70/361098270.db2.gz GQPXPJIXATWBBE-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN Cc1ncc(OC(F)(F)F)cc1CC#N ZINC000238485211 361114801 /nfs/dbraw/zinc/11/48/01/361114801.db2.gz JICLFFIBSMJZAD-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN Cc1nccc(CC#N)c1OC(F)(F)F ZINC000238489356 361115625 /nfs/dbraw/zinc/11/56/25/361115625.db2.gz IUWPLJYQDUFECY-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN COc1cc([C@H](C#N)C(C)=O)ccc1C ZINC000006923982 361140074 /nfs/dbraw/zinc/14/00/74/361140074.db2.gz DNAUGZALSDZONL-LLVKDONJSA-N 0 0 203.241 2.200 10 30 BEEERN N#CCc1cc(F)cc(OC(F)(F)F)n1 ZINC000238587775 361158384 /nfs/dbraw/zinc/15/83/84/361158384.db2.gz MWNDQZAVJWZPSF-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)c(N)c1 ZINC000238655918 361171734 /nfs/dbraw/zinc/17/17/34/361171734.db2.gz HTTGUAWJYNJWJM-UHFFFAOYSA-N 0 0 216.162 2.233 10 30 BEEERN N#Cc1cc(OC(F)(F)F)cnc1CF ZINC000238697422 361180667 /nfs/dbraw/zinc/18/06/67/361180667.db2.gz MNTXUPPCZUZOQB-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1c(CF)ccnc1OC(F)(F)F ZINC000238693913 361181900 /nfs/dbraw/zinc/18/19/00/361181900.db2.gz GWIYPILDLUWYML-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN C=C1CC(CNC(=O)c2cc3occc3[nH]2)C1 ZINC000042750448 219888954 /nfs/dbraw/zinc/88/89/54/219888954.db2.gz LIOQBCIJAJAHIT-UHFFFAOYSA-N 0 0 230.267 2.457 10 30 BEEERN C=C(C)CCn1cc([N+](=O)[O-])nc1Cl ZINC000115606550 370672840 /nfs/dbraw/zinc/67/28/40/370672840.db2.gz FSQDEZWJLHCJJM-UHFFFAOYSA-N 0 0 215.640 2.411 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)cc1N ZINC000238704764 361364051 /nfs/dbraw/zinc/36/40/51/361364051.db2.gz RNIHNORSQBTPBY-UHFFFAOYSA-N 0 0 216.162 2.233 10 30 BEEERN C[C@@H]1C[C@](C#N)(NCc2ccccc2)CCO1 ZINC000070367191 361509538 /nfs/dbraw/zinc/50/95/38/361509538.db2.gz YXSMYZJYJRANTC-TZMCWYRMSA-N 0 0 230.311 2.237 10 30 BEEERN CC[C@@H](NC(=O)[C@@](C)(C#N)CC)C(C)C ZINC000136208074 364466842 /nfs/dbraw/zinc/46/68/42/364466842.db2.gz XDAQHSUADZELLH-ZYHUDNBSSA-N 0 0 210.321 2.477 10 30 BEEERN CC(=O)C1=Cc2c(C)ccc(F)c2OC1 ZINC000675063763 541465720 /nfs/dbraw/zinc/46/57/20/541465720.db2.gz NYEZMBAZPVUKAN-UHFFFAOYSA-N 0 0 206.216 2.499 10 30 BEEERN CN(c1cc(C#N)cc(Cl)n1)C1CC1 ZINC000215386376 370825025 /nfs/dbraw/zinc/82/50/25/370825025.db2.gz MKHPLPNHNIZUGE-UHFFFAOYSA-N 0 0 207.664 2.205 10 30 BEEERN C=C1CCN(Cc2ncccc2C(=O)OC)CC1 ZINC000382476358 367529693 /nfs/dbraw/zinc/52/96/93/367529693.db2.gz IXXYMLKFSHKXFU-UHFFFAOYSA-N 0 0 246.310 2.020 10 30 BEEERN CCCCCCCCOC(=O)[C@H](C)N ZINC000104192762 368287770 /nfs/dbraw/zinc/28/77/70/368287770.db2.gz SRWADIQTOZZKAT-JTQLQIEISA-N 0 0 201.310 2.237 10 30 BEEERN COc1ccc2c(c1)[C@H]1O[C@H]1C(C)(C)O2 ZINC000038302001 368325592 /nfs/dbraw/zinc/32/55/92/368325592.db2.gz DWQLEXJSAGRCJG-GHMZBOCLSA-N 0 0 206.241 2.306 10 30 BEEERN N#Cc1[nH]ccc2nc(=O)c(-c3ccccc3)cc1-2 ZINC000115935245 368343448 /nfs/dbraw/zinc/34/34/48/368343448.db2.gz GSXVPHXNFRTGND-UHFFFAOYSA-N 0 0 247.257 2.462 10 30 BEEERN C#Cc1nc(C)ccc1OCC(=O)OC(C)(C)C ZINC000115986082 368343640 /nfs/dbraw/zinc/34/36/40/368343640.db2.gz WHHBYYMHTDFECO-UHFFFAOYSA-N 0 0 247.294 2.092 10 30 BEEERN C/C=C/COS(=O)(=O)c1ccc(C)cc1 ZINC000038254432 368408383 /nfs/dbraw/zinc/40/83/83/368408383.db2.gz WAJAGRBOZRCTKO-ONEGZZNKSA-N 0 0 226.297 2.276 10 30 BEEERN C[C@@H](NC(=O)N1CCC(C#N)CC1)C(C)(C)C ZINC000112462781 368871993 /nfs/dbraw/zinc/87/19/93/368871993.db2.gz QMMANLJQXLQJDD-SNVBAGLBSA-N 0 0 237.347 2.366 10 30 BEEERN CC[C@H]1CC(=O)C=CN1C(=O)OC(C)(C)C ZINC000114531379 368943248 /nfs/dbraw/zinc/94/32/48/368943248.db2.gz DNPQKIWLAROSNF-VIFPVBQESA-N 0 0 225.288 2.489 10 30 BEEERN CN[C@H](C#N)c1ccc(Br)c(F)c1 ZINC000161427332 369007101 /nfs/dbraw/zinc/00/71/01/369007101.db2.gz OETUQSRRLNBBIE-SECBINFHSA-N 0 0 243.079 2.372 10 30 BEEERN Cc1nn(Cc2ccc(C#N)c(F)c2)c(C)c1N ZINC000404194772 369422632 /nfs/dbraw/zinc/42/26/32/369422632.db2.gz ITAYNHNUSFYZNK-UHFFFAOYSA-N 0 0 244.273 2.141 10 30 BEEERN C#Cc1nccn1COCC[Si](C)(C)C ZINC000205414933 369905379 /nfs/dbraw/zinc/90/53/79/369905379.db2.gz VGHALEHDGOUHRX-UHFFFAOYSA-N 0 0 222.364 2.177 10 30 BEEERN N#Cc1cc(-c2cccnc2)nn1C(F)F ZINC000409443437 369978209 /nfs/dbraw/zinc/97/82/09/369978209.db2.gz MXVKJSIXZDGFIN-UHFFFAOYSA-N 0 0 220.182 2.212 10 30 BEEERN COc1ccc(-c2cnc(C#N)o2)cc1 ZINC000409427173 369975855 /nfs/dbraw/zinc/97/58/55/369975855.db2.gz HUFXOCXPVKBXNL-UHFFFAOYSA-N 0 0 200.197 2.222 10 30 BEEERN O=C1OCc2cc([C@@H]3CO3)c(C3CC3)cc21 ZINC000113516053 370418398 /nfs/dbraw/zinc/41/83/98/370418398.db2.gz XCTPTPZMLBKTAA-LBPRGKRZSA-N 0 0 216.236 2.306 10 30 BEEERN N#Cc1cc(N[C@H]2COc3ccccc32)ccn1 ZINC000070536341 371043157 /nfs/dbraw/zinc/04/31/57/371043157.db2.gz VSQAEINVKJBZJJ-ZDUSSCGKSA-N 0 0 237.262 2.499 10 30 BEEERN Cc1cc(CN[C@@H]2CCC[C@@H]2C#N)ccn1 ZINC000391206439 371278005 /nfs/dbraw/zinc/27/80/05/371278005.db2.gz NNMLXVITBIWLIL-CHWSQXEVSA-N 0 0 215.300 2.172 10 30 BEEERN C=CCN(CC=C)C(=O)N[C@@H](C)C(C)C ZINC000125936673 371454301 /nfs/dbraw/zinc/45/43/01/371454301.db2.gz HBRBVGJYQCQYPN-NSHDSACASA-N 0 0 210.321 2.415 10 30 BEEERN C#C[C@H](O)c1ccc(Br)c(C)c1 ZINC000162297897 371650849 /nfs/dbraw/zinc/65/08/49/371650849.db2.gz YKYILTYLRJXPHD-JTQLQIEISA-N 0 0 225.085 2.424 10 30 BEEERN C=CC(=O)c1cc(N)cc(Br)c1 ZINC000226771342 371741067 /nfs/dbraw/zinc/74/10/67/371741067.db2.gz OIMDGFLPDCQPHB-UHFFFAOYSA-N 0 0 226.073 2.400 10 30 BEEERN Cc1c(N)c(C#N)ccc1Br ZINC000131854262 371698909 /nfs/dbraw/zinc/69/89/09/371698909.db2.gz SMLIIISPEVLKEH-UHFFFAOYSA-N 0 0 211.062 2.211 10 30 BEEERN C=C(Br)CN1[C@@H](CO)CCC[C@@H]1C ZINC000305201408 371898824 /nfs/dbraw/zinc/89/88/24/371898824.db2.gz FMEJLWTZGGVPQF-VHSXEESVSA-N 0 0 248.164 2.130 10 30 BEEERN C#CCC(=O)c1cc(Br)ccc1N ZINC000132742251 371911214 /nfs/dbraw/zinc/91/12/14/371911214.db2.gz GILADWOXXCBTAZ-UHFFFAOYSA-N 0 0 238.084 2.237 10 30 BEEERN N#C[C@@]1(c2cccc(Cl)c2)C[C@@H]1CO ZINC000132779303 371921907 /nfs/dbraw/zinc/92/19/07/371921907.db2.gz KBVXJBGNIHRAAH-MWLCHTKSSA-N 0 0 207.660 2.114 10 30 BEEERN C[C@@H](C#N)[S@@](=O)c1ccc(F)c(Cl)c1 ZINC000227964596 371965399 /nfs/dbraw/zinc/96/53/99/371965399.db2.gz KZMNMIIHWGVVRB-DXRPGJJCSA-N 0 0 231.679 2.499 10 30 BEEERN CC#CCC(=O)[C@@H]1SCCS[C@H]1C ZINC000228079645 371986434 /nfs/dbraw/zinc/98/64/34/371986434.db2.gz ZRGHOADDWALQDU-WCBMZHEXSA-N 0 0 214.355 2.206 10 30 BEEERN O=C[C@@H]1CC[C@@H](c2occc2Br)O1 ZINC000306147682 371988564 /nfs/dbraw/zinc/98/85/64/371988564.db2.gz AOCHTNAWXUSZEP-XPUUQOCRSA-N 0 0 245.072 2.461 10 30 BEEERN C=C[C@@H](C)Nc1nnc(Br)s1 ZINC000229060354 372112509 /nfs/dbraw/zinc/11/25/09/372112509.db2.gz VZEMWEYXPISFOB-SCSAIBSYSA-N 0 0 234.122 2.287 10 30 BEEERN C/C(=C/Cl)CN1CCCC[C@@H]1C=O ZINC000232010684 372089379 /nfs/dbraw/zinc/08/93/79/372089379.db2.gz GACXPYKHOCBLDW-ABRRARGCSA-N 0 0 201.697 2.182 10 30 BEEERN C=C(Cl)CNc1nc(Cl)ncc1F ZINC000229315426 372141042 /nfs/dbraw/zinc/14/10/42/372141042.db2.gz VQFSTVQFAHWJFP-UHFFFAOYSA-N 0 0 222.050 2.434 10 30 BEEERN C=C(Cl)CNc1nc(Cl)nc(Cl)n1 ZINC000229315215 372141260 /nfs/dbraw/zinc/14/12/60/372141260.db2.gz MAAUGNLHDOYORG-UHFFFAOYSA-N 0 0 239.493 2.343 10 30 BEEERN C#CC[C@H](CC)Nc1nccnc1Cl ZINC000229318777 372142504 /nfs/dbraw/zinc/14/25/04/372142504.db2.gz OVTXJGOTTWAUOH-QMMMGPOBSA-N 0 0 209.680 2.344 10 30 BEEERN N#CCNCc1ccsc1Br ZINC000307487087 372125513 /nfs/dbraw/zinc/12/55/13/372125513.db2.gz VOXPPBNQPSPIAI-UHFFFAOYSA-N 0 0 231.118 2.124 10 30 BEEERN N#CCc1ccc(C(F)(F)F)cc1O ZINC000038761970 372756162 /nfs/dbraw/zinc/75/61/62/372756162.db2.gz VRRUKLYJQWSYBO-UHFFFAOYSA-N 0 0 201.147 2.477 10 30 BEEERN Cc1c(/C=C\C(=O)c2ccc(O)cc2)cnn1C ZINC000009206158 373566834 /nfs/dbraw/zinc/56/68/34/373566834.db2.gz FJZDNPYEPPHCKQ-YVMONPNESA-N 0 0 242.278 2.330 10 30 BEEERN N#Cc1ccnc(Oc2ccc(CO)cc2)c1 ZINC000040711023 373628604 /nfs/dbraw/zinc/62/86/04/373628604.db2.gz CWZNODZTUAJQON-UHFFFAOYSA-N 0 0 226.235 2.238 10 30 BEEERN COc1cc(CC#N)nc(OC(F)(F)F)c1 ZINC000381412539 374119028 /nfs/dbraw/zinc/11/90/28/374119028.db2.gz TWYSVLJMXPZUSP-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN C[C@@H](NC(=O)CS)c1ccc(Cl)cc1 ZINC000071783347 374291824 /nfs/dbraw/zinc/29/18/24/374291824.db2.gz MNMFWLWSQZPWDM-SSDOTTSWSA-N 0 0 229.732 2.447 10 30 BEEERN O=C(Oc1ccccc1)N1CCC(=NO)CC1 ZINC000019816500 182610129 /nfs/dbraw/zinc/61/01/29/182610129.db2.gz DMRUUWCKPYIPJL-UHFFFAOYSA-N 0 0 234.255 2.111 10 30 BEEERN O=CC1=C(O)[C@H](c2ccccc2)CCC1 ZINC000105608066 182855034 /nfs/dbraw/zinc/85/50/34/182855034.db2.gz GTDCBLPYTNREDG-RYUDHWBXSA-N 0 0 202.253 2.338 10 30 BEEERN OCC#Cc1cc(COCC2CC2)ccc1F ZINC000049621322 183032180 /nfs/dbraw/zinc/03/21/80/183032180.db2.gz LYCHGTFZFPMYQK-UHFFFAOYSA-N 0 0 234.270 2.096 10 30 BEEERN OCC#Cc1ccc(Cl)c(Cl)c1 ZINC000022203197 183032209 /nfs/dbraw/zinc/03/22/09/183032209.db2.gz GXPOBUYOPUKTGF-UHFFFAOYSA-N 0 0 201.052 2.337 10 30 BEEERN OCC#Cc1ccc(Cl)cc1Cl ZINC000022203472 183032741 /nfs/dbraw/zinc/03/27/41/183032741.db2.gz JGWPOWBACBDELD-UHFFFAOYSA-N 0 0 201.052 2.337 10 30 BEEERN OCC#Cc1ccccc1COCc1ccco1 ZINC000049619956 183033891 /nfs/dbraw/zinc/03/38/91/183033891.db2.gz VXOMTTYFIVQNGE-UHFFFAOYSA-N 0 0 242.274 2.340 10 30 BEEERN OCC#Cc1ccccc1COCC(F)(F)F ZINC000049619916 183034050 /nfs/dbraw/zinc/03/40/50/183034050.db2.gz IVFWDRORDDZBEM-UHFFFAOYSA-N 0 0 244.212 2.109 10 30 BEEERN OCC[C@](F)(OC(F)(F)F)C(F)(F)F ZINC000091251938 183098297 /nfs/dbraw/zinc/09/82/97/183098297.db2.gz BYUMCOXUHYUDKS-VKHMYHEASA-N 0 0 230.079 2.133 10 30 BEEERN Oc1ccc(CN=Nc2ccc(Cl)nn2)cc1 ZINC000004280732 183266557 /nfs/dbraw/zinc/26/65/57/183266557.db2.gz KTWNFYNMABEGMN-NTUHNPAUSA-N 0 0 248.673 2.282 10 30 BEEERN CCCN(CC)Cc1cccnc1C#N ZINC000061664277 169130192 /nfs/dbraw/zinc/13/01/92/169130192.db2.gz NLPOYMRLZJCDLL-UHFFFAOYSA-N 0 0 203.289 2.185 10 30 BEEERN CCCN(CCC)c1ccc(/C(N)=N/O)cc1 ZINC000019865688 169151927 /nfs/dbraw/zinc/15/19/27/169151927.db2.gz KBUJNIXXGSXKIH-UHFFFAOYSA-N 0 0 235.331 2.408 10 30 BEEERN CCCN[C@H](C#N)c1ccc(C(=O)OC)cc1 ZINC000037380645 169284145 /nfs/dbraw/zinc/28/41/45/169284145.db2.gz JAPDZGHQSSYTRP-GFCCVEGCSA-N 0 0 232.283 2.037 10 30 BEEERN CCCN[C@H](C#N)c1cc(OC)ccc1OC ZINC000020175848 169284516 /nfs/dbraw/zinc/28/45/16/169284516.db2.gz IOMZDGBHTDWFCE-GFCCVEGCSA-N 0 0 234.299 2.268 10 30 BEEERN CCCN[C@@H](C#N)c1ccc(C(=O)OC)cc1 ZINC000037380641 169273139 /nfs/dbraw/zinc/27/31/39/169273139.db2.gz JAPDZGHQSSYTRP-LBPRGKRZSA-N 0 0 232.283 2.037 10 30 BEEERN CCCNc1ccccc1C(=O)N(C)CCC#N ZINC000050722391 169295034 /nfs/dbraw/zinc/29/50/34/169295034.db2.gz LWJDWENQBDXJMB-UHFFFAOYSA-N 0 0 245.326 2.494 10 30 BEEERN CCC[C@@H](C#N)N1C(=O)CC2(CCCCC2)C1=O ZINC000040222319 169342876 /nfs/dbraw/zinc/34/28/76/169342876.db2.gz LAQLFGMIKBOPHD-NSHDSACASA-N 0 0 248.326 2.388 10 30 BEEERN CCC[C@@H](C#N)C(=O)NCC1CCCC1 ZINC000044822509 169343299 /nfs/dbraw/zinc/34/32/99/169343299.db2.gz HDAMUTCLOLFGTB-NSHDSACASA-N 0 0 208.305 2.233 10 30 BEEERN c1ccc2cc(NC3=NCCO3)ccc2c1 ZINC000040916521 183456940 /nfs/dbraw/zinc/45/69/40/183456940.db2.gz DTBTVPPCCUGEGZ-UHFFFAOYSA-N 0 0 212.252 2.447 10 30 BEEERN CCC[C@@H](C)N(C)c1ccccc1/C(N)=N/O ZINC000036790727 169366288 /nfs/dbraw/zinc/36/62/88/169366288.db2.gz GEXNIJKAIWTNAR-SNVBAGLBSA-N 0 0 235.331 2.406 10 30 BEEERN CCC[C@@H](C)N(C)c1ccc(/C(N)=N/O)cc1 ZINC000057562466 169366721 /nfs/dbraw/zinc/36/67/21/169366721.db2.gz JQRIYQIVTFMYMZ-SNVBAGLBSA-N 0 0 235.331 2.406 10 30 BEEERN CCC[C@@H](C)Nc1ncc(N)cc1C#N ZINC000037758864 169372482 /nfs/dbraw/zinc/37/24/82/169372482.db2.gz YWTIYQGTHZKXBM-MRVPVSSYSA-N 0 0 204.277 2.136 10 30 BEEERN CCC[C@@H](C=O)NC(=O)OCc1ccccc1 ZINC000095803008 169375502 /nfs/dbraw/zinc/37/55/02/169375502.db2.gz QLICRBGTURRRJF-LBPRGKRZSA-N 0 0 235.283 2.280 10 30 BEEERN CC(C)(C)OC(=O)N1C[C@H]2CC(C#N)C[C@@H]2C1 ZINC000084324906 166657250 /nfs/dbraw/zinc/65/72/50/166657250.db2.gz XCKUDHFIGYWWMJ-GHMZBOCLSA-N 0 0 236.315 2.403 10 30 BEEERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(C#N)o1 ZINC000309342562 169538159 /nfs/dbraw/zinc/53/81/59/169538159.db2.gz LLTUQQGUVOIUKV-WCBMZHEXSA-N 0 0 218.256 2.070 10 30 BEEERN CCC[C@H]1C[C@H]1Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000233439637 169539380 /nfs/dbraw/zinc/53/93/80/169539380.db2.gz WZSFWTVULZWYOM-VHSXEESVSA-N 0 0 246.270 2.462 10 30 BEEERN C[C@H](C#N)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183367274 134351013 /nfs/dbraw/zinc/35/10/13/134351013.db2.gz NEYNHKPCJZXCHB-MFKMUULPSA-N 0 0 234.274 2.191 10 30 BEEERN CC(=O)C=C(C)Nc1cnc2ccccn12 ZINC000089201170 383943031 /nfs/dbraw/zinc/94/30/31/383943031.db2.gz VGRAUWWMGKLGEO-VQHVLOKHSA-N 0 0 215.256 2.239 10 30 BEEERN O=C(OCc1ccccc1)N1CC[C@H]2O[C@@H]2CC1 ZINC000113980030 384017494 /nfs/dbraw/zinc/01/74/94/384017494.db2.gz IITJMAOVBYABLN-CHWSQXEVSA-N 0 0 247.294 2.186 10 30 BEEERN CC1(C)CC[C@@H](n2cccc(C#N)c2=O)C1 ZINC000335057716 384013793 /nfs/dbraw/zinc/01/37/93/384013793.db2.gz PDHRMRZKFMWHBG-LLVKDONJSA-N 0 0 216.284 2.471 10 30 BEEERN CCOc1cc(C#N)cc(OC)c1CC#N ZINC000575650406 384040085 /nfs/dbraw/zinc/04/00/85/384040085.db2.gz UTTNSAFXCHHLBR-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN COC(=O)c1c(O)ccc2cc(C#N)ccc21 ZINC000082293720 384098905 /nfs/dbraw/zinc/09/89/05/384098905.db2.gz GEBDCLJTFZSURF-UHFFFAOYSA-N 0 0 227.219 2.204 10 30 BEEERN CCc1ccc([C@H](C#N)OC(C)=O)cc1 ZINC000039100871 384104390 /nfs/dbraw/zinc/10/43/90/384104390.db2.gz PUZJWXDRGIJECK-LBPRGKRZSA-N 0 0 203.241 2.377 10 30 BEEERN CON(C)CCC(=O)/C=C\c1ccccc1 ZINC000091366292 384123642 /nfs/dbraw/zinc/12/36/42/384123642.db2.gz DJAOQKVGOGZYLH-HJWRWDBZSA-N 0 0 219.284 2.152 10 30 BEEERN C=C(Cl)CNc1ccc(N)cc1C#N ZINC000135536985 384172131 /nfs/dbraw/zinc/17/21/31/384172131.db2.gz XKCAQTZGKWEKMG-UHFFFAOYSA-N 0 0 207.664 2.305 10 30 BEEERN C#CCCCNC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000172925679 533039149 /nfs/dbraw/zinc/03/91/49/533039149.db2.gz KRRZOXFAWCBCFD-SMDDNHRTSA-N 0 0 243.306 2.081 10 30 BEEERN Cc1c(CNc2ccc(CC#N)cc2)cnn1C ZINC000093649736 384256713 /nfs/dbraw/zinc/25/67/13/384256713.db2.gz YHLSVFCJHRUWHC-UHFFFAOYSA-N 0 0 240.310 2.407 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H](C#N)CC(F)(F)F ZINC000095882058 384404137 /nfs/dbraw/zinc/40/41/37/384404137.db2.gz FNADWCYBGBHJDL-ZCFIWIBFSA-N 0 0 238.209 2.356 10 30 BEEERN N#CCc1c(O)cc(F)cc1OC(F)F ZINC000575659896 384405565 /nfs/dbraw/zinc/40/55/65/384405565.db2.gz UVEBSWVFOQVMIX-UHFFFAOYSA-N 0 0 217.146 2.199 10 30 BEEERN N#CCc1cc(F)c(O)c(OC(F)F)c1 ZINC000575660449 384409411 /nfs/dbraw/zinc/40/94/11/384409411.db2.gz ZSLXDOBVXNWIAF-UHFFFAOYSA-N 0 0 217.146 2.199 10 30 BEEERN Cc1cc(N2CC[C@H](C)C2)c(C#N)c(C)n1 ZINC000157401276 384424043 /nfs/dbraw/zinc/42/40/43/384424043.db2.gz CDGOXZFIVQBKPD-VIFPVBQESA-N 0 0 215.300 2.416 10 30 BEEERN C[C@H]1O[C@@H]1Oc1ccc2ncsc2c1 ZINC000045237598 384383961 /nfs/dbraw/zinc/38/39/61/384383961.db2.gz GUYYYXDUVWQCID-LHLIQPBNSA-N 0 0 207.254 2.420 10 30 BEEERN CCOc1cc([N+](=O)[O-])c(C#N)cc1CC ZINC000575670919 384461206 /nfs/dbraw/zinc/46/12/06/384461206.db2.gz PTZBXRYJSTYEHI-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN COC[C@@H](C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000175802434 384503079 /nfs/dbraw/zinc/50/30/79/384503079.db2.gz SWGQCZYXXLGGPK-MNOVXSKESA-N 0 0 247.294 2.445 10 30 BEEERN Fc1c(F)c(F)c(C[C@H]2CO2)c(F)c1F ZINC000080440554 384556996 /nfs/dbraw/zinc/55/69/96/384556996.db2.gz XHYZQFHWNNSAMZ-VKHMYHEASA-N 0 0 224.128 2.323 10 30 BEEERN Cc1ccncc1NCc1ccc(C#N)o1 ZINC000119035375 384572692 /nfs/dbraw/zinc/57/26/92/384572692.db2.gz LJIKOUKKFNQTOF-UHFFFAOYSA-N 0 0 213.240 2.467 10 30 BEEERN N#Cc1ccc([C@]2(O)CCCSC2)cc1 ZINC000261347615 384622213 /nfs/dbraw/zinc/62/22/13/384622213.db2.gz KLGCZVQVUJUOQV-LBPRGKRZSA-N 0 0 219.309 2.273 10 30 BEEERN CCO/C=N\c1ccccc1C(=O)OC ZINC000100250187 384627998 /nfs/dbraw/zinc/62/79/98/384627998.db2.gz GWBUWKDRTPJROK-WQLSENKSSA-N 0 0 207.229 2.170 10 30 BEEERN C[C@@H]1CSC[C@]1(O)c1ccccc1C#N ZINC000521401028 384628432 /nfs/dbraw/zinc/62/84/32/384628432.db2.gz FAHGZSSLVMXUKO-BXKDBHETSA-N 0 0 219.309 2.129 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C=O ZINC000098096005 384592312 /nfs/dbraw/zinc/59/23/12/384592312.db2.gz UQRDWBUTDRBGSD-VLEAKVRGSA-N 0 0 239.315 2.125 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@]1(C)C=O ZINC000098095985 384593470 /nfs/dbraw/zinc/59/34/70/384593470.db2.gz WFKBTVBJRXEGPV-BXKDBHETSA-N 0 0 227.304 2.269 10 30 BEEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C=O)C1 ZINC000098096013 384594108 /nfs/dbraw/zinc/59/41/08/384594108.db2.gz HFZOJUONOHDPHP-ZJUUUORDSA-N 0 0 227.304 2.269 10 30 BEEERN COc1ccc([C@@H](C)NCCC#N)cc1OC ZINC000020199931 384595064 /nfs/dbraw/zinc/59/50/64/384595064.db2.gz CQABLBOVRUYROJ-SNVBAGLBSA-N 0 0 234.299 2.268 10 30 BEEERN C[C@H](NCCC#N)c1ccc2c(c1)OCCO2 ZINC000020199700 384597181 /nfs/dbraw/zinc/59/71/81/384597181.db2.gz IYDFATWUVFEWHC-JTQLQIEISA-N 0 0 232.283 2.022 10 30 BEEERN CCN(C[C@H](C)C#N)C(=O)Cc1ccccc1 ZINC000042295985 384638655 /nfs/dbraw/zinc/63/86/55/384638655.db2.gz UHQBEOSOJGBCAL-GFCCVEGCSA-N 0 0 230.311 2.237 10 30 BEEERN CC(C)[C@H]1N(c2nccc(C#N)n2)CC12CCC2 ZINC000295749994 384725102 /nfs/dbraw/zinc/72/51/02/384725102.db2.gz ZXBQWKHDFMYRPF-GFCCVEGCSA-N 0 0 242.326 2.363 10 30 BEEERN Cc1ccc2c(c1)c1oc(C#N)cc(=O)c1n2C ZINC000039256301 384676701 /nfs/dbraw/zinc/67/67/01/384676701.db2.gz DNLNFVQVJPQKDA-UHFFFAOYSA-N 0 0 238.246 2.465 10 30 BEEERN CCOc1cc(CC#N)cc(F)c1[N+](=O)[O-] ZINC000575697869 384683995 /nfs/dbraw/zinc/68/39/95/384683995.db2.gz PTNUHTMHMMOGMV-UHFFFAOYSA-N 0 0 224.191 2.199 10 30 BEEERN C=CCc1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000141602583 384692095 /nfs/dbraw/zinc/69/20/95/384692095.db2.gz JLXZMBHXFKXEJR-UHFFFAOYSA-N 0 0 223.228 2.341 10 30 BEEERN CC(C)[C@H]1N(c2nccc(C#N)n2)CC1(C)C ZINC000295748407 384727725 /nfs/dbraw/zinc/72/77/25/384727725.db2.gz ZMLVTJNEWAWOLF-LLVKDONJSA-N 0 0 230.315 2.219 10 30 BEEERN N#CCc1cc(F)cc(OC(F)(F)F)c1O ZINC000575704883 384790199 /nfs/dbraw/zinc/79/01/99/384790199.db2.gz QTLHXPVMHBACRG-UHFFFAOYSA-N 0 0 235.136 2.496 10 30 BEEERN C=CCCC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105860519 384805261 /nfs/dbraw/zinc/80/52/61/384805261.db2.gz OITDRVVNVTZLFV-CYBMUJFWSA-N 0 0 247.342 2.321 10 30 BEEERN C=C(C)CNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000156190362 384809718 /nfs/dbraw/zinc/80/97/18/384809718.db2.gz GHOAWGLCVNCCLX-GFCCVEGCSA-N 0 0 246.310 2.386 10 30 BEEERN C=C(C)CNC(=O)N[C@H]1CCOc2ccccc21 ZINC000156190490 384810605 /nfs/dbraw/zinc/81/06/05/384810605.db2.gz GHOAWGLCVNCCLX-LBPRGKRZSA-N 0 0 246.310 2.386 10 30 BEEERN Cc1cc(OC(F)F)c(N)cc1CC#N ZINC000575716360 384872885 /nfs/dbraw/zinc/87/28/85/384872885.db2.gz CGFJFMCHLOSNQG-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN COc1cc(CC#N)cc(N)c1C(F)(F)F ZINC000575716152 384873568 /nfs/dbraw/zinc/87/35/68/384873568.db2.gz AUVSEHXLTUGUFW-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN CCOc1cc(N)cc(CC#N)c1OC(F)F ZINC000575716592 384877538 /nfs/dbraw/zinc/87/75/38/384877538.db2.gz SRVZILNUSYWWFN-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN CCc1cc(OC(F)F)cc(CC#N)c1N ZINC000575716631 384881277 /nfs/dbraw/zinc/88/12/77/384881277.db2.gz TYIPFJCZVFPTEQ-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN Cc1cc(C)c2c(c1)ncc(C#N)c2OCCO ZINC000072237048 384840664 /nfs/dbraw/zinc/84/06/64/384840664.db2.gz AFPRHSIBVKOHPZ-UHFFFAOYSA-N 0 0 242.278 2.094 10 30 BEEERN COC(C)(C)CNc1cc(C)nc(C)c1C#N ZINC000158083969 384849635 /nfs/dbraw/zinc/84/96/35/384849635.db2.gz CZWMKWFUYAMTOI-UHFFFAOYSA-N 0 0 233.315 2.407 10 30 BEEERN Cc1csc(CN(C)c2cccc(C#N)n2)n1 ZINC000301249693 384862191 /nfs/dbraw/zinc/86/21/91/384862191.db2.gz AURQPKPGEBGKJT-UHFFFAOYSA-N 0 0 244.323 2.355 10 30 BEEERN N#CCc1c(N)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575719954 384894767 /nfs/dbraw/zinc/89/47/67/384894767.db2.gz PXLXAQHOVLGYHY-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN C=CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C ZINC000302117099 384959900 /nfs/dbraw/zinc/95/99/00/384959900.db2.gz 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C=C(C)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000195437700 387917240 /nfs/dbraw/zinc/91/72/40/387917240.db2.gz OZTKJKAQNXWHEN-NSHDSACASA-N 0 0 238.356 2.401 10 30 BEEERN N#Cc1ncc(CF)cc1OC(F)(F)F ZINC000238694232 387930000 /nfs/dbraw/zinc/93/00/00/387930000.db2.gz UPRUUJBIJNSEOB-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN Cc1cnc(Br)c(C#N)c1C ZINC000039340760 388004334 /nfs/dbraw/zinc/00/43/34/388004334.db2.gz QRVGFTAEEAYPLI-UHFFFAOYSA-N 0 0 211.062 2.333 10 30 BEEERN CN(C[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000042466230 388094413 /nfs/dbraw/zinc/09/44/13/388094413.db2.gz UZUDTYOOCLSNFF-NSHDSACASA-N 0 0 234.274 2.313 10 30 BEEERN NC(=NO)c1nccc2ccc(C(F)F)cc21 ZINC000521400794 256517001 /nfs/dbraw/zinc/51/70/01/256517001.db2.gz BTNKGZFUAUBKEV-UHFFFAOYSA-N 0 0 237.209 2.267 10 30 BEEERN Cc1ccoc1CN[C@@H]1CCC[C@H]1C#N ZINC000164661612 388242195 /nfs/dbraw/zinc/24/21/95/388242195.db2.gz IXDRPKQSIUZYIX-WDEREUQCSA-N 0 0 204.273 2.370 10 30 BEEERN C#CC[C@@H](C)OS(=O)(=O)c1ccc(C)cc1 ZINC000016955266 256664457 /nfs/dbraw/zinc/66/44/57/256664457.db2.gz FUXZPGSGEZVNMH-LLVKDONJSA-N 0 0 238.308 2.112 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1ccc(C#N)cc1 ZINC000134059430 388392212 /nfs/dbraw/zinc/39/22/12/388392212.db2.gz YJOVYUDCYPWZRJ-CABZTGNLSA-N 0 0 202.257 2.148 10 30 BEEERN CC(=O)c1ccc(C#N)cc1NCC(F)F ZINC000302110102 388619138 /nfs/dbraw/zinc/61/91/38/388619138.db2.gz PCYJIXTVJFOZGM-UHFFFAOYSA-N 0 0 224.210 2.438 10 30 BEEERN CCC[C@H]1C[C@@H]1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000230185872 388635536 /nfs/dbraw/zinc/63/55/36/388635536.db2.gz KLGSFIZQUXYZBO-WPRPVWTQSA-N 0 0 246.270 2.462 10 30 BEEERN CCC[C@@H]1C[C@@H]1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000230185869 388635556 /nfs/dbraw/zinc/63/55/56/388635556.db2.gz KLGSFIZQUXYZBO-SCZZXKLOSA-N 0 0 246.270 2.462 10 30 BEEERN Cn1nccc1CNc1ccc(C#N)cc1F ZINC000110460177 388643540 /nfs/dbraw/zinc/64/35/40/388643540.db2.gz ZXDLWYUWOWYOFV-UHFFFAOYSA-N 0 0 230.246 2.043 10 30 BEEERN CCC(C)(C)N(CCC#N)C(=O)[C@H](C)COC ZINC000189916530 388644811 /nfs/dbraw/zinc/64/48/11/388644811.db2.gz SEBAHDAJIWAAQA-LLVKDONJSA-N 0 0 240.347 2.200 10 30 BEEERN CN(C[C@H]1CCCO1)c1ccc(F)cc1C#N ZINC000111036178 388652946 /nfs/dbraw/zinc/65/29/46/388652946.db2.gz AQPUNVZPUBNQJC-GFCCVEGCSA-N 0 0 234.274 2.313 10 30 BEEERN Cc1nn(Cc2cccc(C#N)c2)c(C)c1N ZINC000019869416 388750869 /nfs/dbraw/zinc/75/08/69/388750869.db2.gz IDYHIYJDPCGBNY-UHFFFAOYSA-N 0 0 226.283 2.002 10 30 BEEERN Cc1ccc2c(CC(=O)N[C@H](C)C#N)coc2c1 ZINC000068925992 388718831 /nfs/dbraw/zinc/71/88/31/388718831.db2.gz VBPISNKCZHTWEZ-SNVBAGLBSA-N 0 0 242.278 2.312 10 30 BEEERN CS[C@H]1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC000125779625 388807093 /nfs/dbraw/zinc/80/70/93/388807093.db2.gz ROVFWUQWYCTQDA-SCZZXKLOSA-N 0 0 234.328 2.044 10 30 BEEERN COC(=O)c1c(C(F)F)ccc(C#N)c1OC ZINC000575343598 388811659 /nfs/dbraw/zinc/81/16/59/388811659.db2.gz OBRZMONKQDGTCB-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN CS[C@H]1CCC[C@H](Nc2cnc(C#N)cn2)C1 ZINC000124965892 388764108 /nfs/dbraw/zinc/76/41/08/388764108.db2.gz ZSVODJSGAIIQRU-ONGXEEELSA-N 0 0 248.355 2.434 10 30 BEEERN N#Cc1ccc(CC(=O)N2C[C@H]3CCC[C@@H]32)cc1 ZINC000334909019 388826564 /nfs/dbraw/zinc/82/65/64/388826564.db2.gz JDTREXPSFIINKI-KGLIPLIRSA-N 0 0 240.306 2.112 10 30 BEEERN C#CC(=O)c1ccsc1Br ZINC000575501231 388990584 /nfs/dbraw/zinc/99/05/84/388990584.db2.gz UBRVQJRZTJDCMW-UHFFFAOYSA-N 0 0 215.071 2.327 10 30 BEEERN Cc1cccc(N2CCN([C@H](C)CC#N)CC2)c1 ZINC000048209005 132299815 /nfs/dbraw/zinc/29/98/15/132299815.db2.gz LDLNAIAOZZTJDF-CQSZACIVSA-N 0 0 243.354 2.419 10 30 BEEERN N#CCCN1C(=O)CSc2ccccc21 ZINC000038844173 132336567 /nfs/dbraw/zinc/33/65/67/132336567.db2.gz DEAUGPGGAQAXEN-UHFFFAOYSA-N 0 0 218.281 2.039 10 30 BEEERN C[C@@H]1CCCN(c2ccc(C#N)cc2N)C1 ZINC000035674169 132339176 /nfs/dbraw/zinc/33/91/76/132339176.db2.gz LPGXZDQFWFCCLQ-SNVBAGLBSA-N 0 0 215.300 2.377 10 30 BEEERN CCCO[C@@H]1CCCN(c2ncccc2C#N)C1 ZINC000042425008 132351685 /nfs/dbraw/zinc/35/16/85/132351685.db2.gz MXTQDPDOCZXMQQ-CYBMUJFWSA-N 0 0 245.326 2.349 10 30 BEEERN C[C@@H](CC#N)N1CCN(c2ccc(F)cc2)CC1 ZINC000048208957 132355320 /nfs/dbraw/zinc/35/53/20/132355320.db2.gz ICFPUVWIFZINIK-LBPRGKRZSA-N 0 0 247.317 2.250 10 30 BEEERN C[C@H](CC#N)N1CCN(c2ccccc2)CC1 ZINC000048208918 132355354 /nfs/dbraw/zinc/35/53/54/132355354.db2.gz NYYYHDMAXADDDL-CYBMUJFWSA-N 0 0 229.327 2.111 10 30 BEEERN O=C[C@@H]1CCCCN1c1cccc([N+](=O)[O-])c1 ZINC000054268242 132363827 /nfs/dbraw/zinc/36/38/27/132363827.db2.gz MPRSOUFBBNNAFD-LBPRGKRZSA-N 0 0 234.255 2.153 10 30 BEEERN O=C[C@H]1CCCCN1c1cccc([N+](=O)[O-])c1 ZINC000054268241 132363893 /nfs/dbraw/zinc/36/38/93/132363893.db2.gz MPRSOUFBBNNAFD-GFCCVEGCSA-N 0 0 234.255 2.153 10 30 BEEERN Cc1ccccc1[C@H](C)NC(=O)CC#N ZINC000044388457 133465614 /nfs/dbraw/zinc/46/56/14/133465614.db2.gz NPGJTWVCYTUTNS-JTQLQIEISA-N 0 0 202.257 2.086 10 30 BEEERN N#CC1(C(=O)NCCC2=CCCC2)CCC1 ZINC000131383999 133495982 /nfs/dbraw/zinc/49/59/82/133495982.db2.gz LPYYZKPFZBUAMA-UHFFFAOYSA-N 0 0 218.300 2.297 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)C[C@@H]1CCCC(=O)N1 ZINC000329249251 133962444 /nfs/dbraw/zinc/96/24/44/133962444.db2.gz WZANNDNLLSNWMP-KXUCPTDWSA-N 0 0 240.303 2.019 10 30 BEEERN Cc1cnc([C@@H](C)NC(=O)c2cnnc(C)c2)o1 ZINC000329957988 133992290 /nfs/dbraw/zinc/99/22/90/133992290.db2.gz PSWRDAWMJLMRTM-SECBINFHSA-N 0 0 246.270 2.147 10 30 BEEERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCOCC1 ZINC000330221009 133998498 /nfs/dbraw/zinc/99/84/98/133998498.db2.gz LGXHCPOKSAMDNV-UTUOFQBUSA-N 0 0 241.331 2.063 10 30 BEEERN C[C@@H](CC1CC1)NC(=O)c1cc2n(n1)CCCO2 ZINC000330309138 134001316 /nfs/dbraw/zinc/00/13/16/134001316.db2.gz TYZCFGOYTUVMCW-VIFPVBQESA-N 0 0 249.314 2.159 10 30 BEEERN C[C@@H](C#N)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000336005653 134049040 /nfs/dbraw/zinc/04/90/40/134049040.db2.gz HHCHCMYUNKYDMJ-SWLSCSKDSA-N 0 0 242.322 2.368 10 30 BEEERN C[C@@H]1C[C@@H](C(=O)N(C)CC#N)CC(C)(C)C1 ZINC000336162951 134112064 /nfs/dbraw/zinc/11/20/64/134112064.db2.gz NVOMEOIZLUBZAC-GHMZBOCLSA-N 0 0 222.332 2.431 10 30 BEEERN C=C(C)CN(C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302067205 134157173 /nfs/dbraw/zinc/15/71/73/134157173.db2.gz URIGSUARLMVZKH-UHFFFAOYSA-N 0 0 236.271 2.099 10 30 BEEERN C=CCNC(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000114581019 134186530 /nfs/dbraw/zinc/18/65/30/134186530.db2.gz NDSIMYSJLRLBAO-CQSZACIVSA-N 0 0 244.338 2.371 10 30 BEEERN C=CCNC(=O)[C@@H](C)N1CCC[C@@H]1c1ccco1 ZINC000116292600 134217152 /nfs/dbraw/zinc/21/71/52/134217152.db2.gz UFLAGPSKIUEBKV-VXGBXAGGSA-N 0 0 248.326 2.107 10 30 BEEERN C=CCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000118176318 134222696 /nfs/dbraw/zinc/22/26/96/134222696.db2.gz XHJULVPGXSENSV-UHFFFAOYSA-N 0 0 230.242 2.235 10 30 BEEERN C[C@@H](C#N)N1CCOC2(C1)CCCCCC2 ZINC000182020920 134341459 /nfs/dbraw/zinc/34/14/59/134341459.db2.gz IAXHVUXVRIKGDK-LBPRGKRZSA-N 0 0 222.332 2.324 10 30 BEEERN C[C@@H](C#N)N1CC[C@H](Nc2ccccc2)C1 ZINC000182145623 134342646 /nfs/dbraw/zinc/34/26/46/134342646.db2.gz IZERWNCBOGZRRI-AAEUAGOBSA-N 0 0 215.300 2.085 10 30 BEEERN Cc1cnc([C@@H](C)Nc2cccc(C#N)n2)o1 ZINC000226547919 134366075 /nfs/dbraw/zinc/36/60/75/134366075.db2.gz CYBJKVXLJSDJSY-SECBINFHSA-N 0 0 228.255 2.423 10 30 BEEERN Cc1cnc([C@@H](C)NC(=O)C2(C#N)CCCC2)o1 ZINC000226615993 134368106 /nfs/dbraw/zinc/36/81/06/134368106.db2.gz OWXVVXMXAIXWKC-SNVBAGLBSA-N 0 0 247.298 2.244 10 30 BEEERN C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408071777 134385876 /nfs/dbraw/zinc/38/58/76/134385876.db2.gz LNZDSBYIPCLQFI-YVECIDJPSA-N 0 0 232.327 2.397 10 30 BEEERN Cc1ccc(C#N)c(N[C@@H]2CCC[C@H]2C#N)n1 ZINC000408109628 134394160 /nfs/dbraw/zinc/39/41/60/134394160.db2.gz YYLLEHJYKAGUDE-CMPLNLGQSA-N 0 0 226.283 2.366 10 30 BEEERN N#Cc1ccc(N[C@@H]2COc3ccccc32)cn1 ZINC000149390693 134449296 /nfs/dbraw/zinc/44/92/96/134449296.db2.gz DPTDANVKJJWKEW-CYBMUJFWSA-N 0 0 237.262 2.499 10 30 BEEERN Cn1cc(C#N)cc1-c1nc([C@@H]2CC2(C)C)no1 ZINC000230996249 134537341 /nfs/dbraw/zinc/53/73/41/134537341.db2.gz UDRPFTUBAGBHCE-VIFPVBQESA-N 0 0 242.282 2.460 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)nc1C ZINC000318818099 134601234 /nfs/dbraw/zinc/60/12/34/134601234.db2.gz VLHUJXMYAXQKCY-VXGBXAGGSA-N 0 0 243.310 2.121 10 30 BEEERN CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061888601 134802807 /nfs/dbraw/zinc/80/28/07/134802807.db2.gz ZSKFNQMYXDDMNT-VHSXEESVSA-N 0 0 208.305 2.231 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)ccn1 ZINC000061890284 134804089 /nfs/dbraw/zinc/80/40/89/134804089.db2.gz XZALBHHBYKLUMN-WCBMZHEXSA-N 0 0 249.701 2.157 10 30 BEEERN Cc1ccccc1CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000061888903 134804463 /nfs/dbraw/zinc/80/44/63/134804463.db2.gz QAXLBNCSFZBJBH-ZIAGYGMSSA-N 0 0 242.322 2.346 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccn1 ZINC000061890285 134804725 /nfs/dbraw/zinc/80/47/25/134804725.db2.gz XZALBHHBYKLUMN-WPRPVWTQSA-N 0 0 249.701 2.157 10 30 BEEERN C=C(C)COCCNc1cc(C)c(C)nn1 ZINC000302787523 134859998 /nfs/dbraw/zinc/85/99/98/134859998.db2.gz AUFPHVHZNPTORY-UHFFFAOYSA-N 0 0 221.304 2.098 10 30 BEEERN N#C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C1CC1 ZINC000108832972 134931274 /nfs/dbraw/zinc/93/12/74/134931274.db2.gz PBPCTWKFUFBZLT-CYBMUJFWSA-N 0 0 239.278 2.200 10 30 BEEERN C[C@H](C#N)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248458870 135012513 /nfs/dbraw/zinc/01/25/13/135012513.db2.gz NEYNHKPCJZXCHB-ZWNOBZJWSA-N 0 0 234.274 2.191 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCCS1 ZINC000250895418 135060404 /nfs/dbraw/zinc/06/04/04/135060404.db2.gz YKQTVHKRZNXOLY-HBNTYKKESA-N 0 0 238.356 2.081 10 30 BEEERN Cc1csc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000259662142 135144153 /nfs/dbraw/zinc/14/41/53/135144153.db2.gz AMIHDXUPODWFPH-NXEZZACHSA-N 0 0 234.324 2.479 10 30 BEEERN CC#CCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000121383234 135224418 /nfs/dbraw/zinc/22/44/18/135224418.db2.gz CPGCUSZFGJUKSW-QWRGUYRKSA-N 0 0 249.260 2.208 10 30 BEEERN CCOc1cc(C(=O)N[C@H](C)CC#N)ccc1C ZINC000113159410 135229590 /nfs/dbraw/zinc/22/95/90/135229590.db2.gz KSXJJFFMLSKELI-LLVKDONJSA-N 0 0 246.310 2.426 10 30 BEEERN N#CCN(Cc1nc2cccnc2s1)C1CC1 ZINC000328883945 135467835 /nfs/dbraw/zinc/46/78/35/135467835.db2.gz NOZPMEANALAMCH-UHFFFAOYSA-N 0 0 244.323 2.179 10 30 BEEERN C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000328926348 135469164 /nfs/dbraw/zinc/46/91/64/135469164.db2.gz WKSBSKPPFHPXBS-MMWGEVLESA-N 0 0 249.314 2.390 10 30 BEEERN C=CCCCN(C)C(=O)c1cscn1 ZINC000125089393 135477661 /nfs/dbraw/zinc/47/76/61/135477661.db2.gz FUZBLKRZOUDDQA-UHFFFAOYSA-N 0 0 210.302 2.181 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(F)cc1 ZINC000061889193 135563065 /nfs/dbraw/zinc/56/30/65/135563065.db2.gz PHVYKEBFNSFLNV-WCQYABFASA-N 0 0 246.285 2.177 10 30 BEEERN N#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)cc1 ZINC000335324332 136051033 /nfs/dbraw/zinc/05/10/33/136051033.db2.gz QRWQOBLQOUDNCZ-OLZOCXBDSA-N 0 0 226.279 2.183 10 30 BEEERN N#Cc1cscc1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000335346331 136066583 /nfs/dbraw/zinc/06/65/83/136066583.db2.gz LEDAQRCDPYNKTH-KCJUWKMLSA-N 0 0 232.308 2.244 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1ccc(C#N)cc1F ZINC000134401929 397949559 /nfs/dbraw/zinc/94/95/59/397949559.db2.gz PROCXIUTNLVVKP-GZMMTYOYSA-N 0 0 220.247 2.287 10 30 BEEERN COc1cccc(-c2nnc(C#N)s2)c1 ZINC000259556008 397957125 /nfs/dbraw/zinc/95/71/25/397957125.db2.gz HSPWUSSTZOKVFN-UHFFFAOYSA-N 0 0 217.253 2.085 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000149799561 397912185 /nfs/dbraw/zinc/91/21/85/397912185.db2.gz TZMSBAKTCOBXAJ-KWQFWETISA-N 0 0 247.254 2.056 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1nc2c(cc1C#N)CCC2 ZINC000149799872 397912296 /nfs/dbraw/zinc/91/22/96/397912296.db2.gz VMLZTZSQJGCANL-BXKDBHETSA-N 0 0 243.310 2.031 10 30 BEEERN Cc1cccc(-c2nnc(C#N)s2)c1 ZINC000259718817 397994138 /nfs/dbraw/zinc/99/41/38/397994138.db2.gz WLMWJHDBPACXLK-UHFFFAOYSA-N 0 0 201.254 2.385 10 30 BEEERN N#C[C@@H]1CCN(c2nc(Cl)cs2)C1 ZINC000575597689 398012547 /nfs/dbraw/zinc/01/25/47/398012547.db2.gz OAUNINQSYRDSEQ-LURJTMIESA-N 0 0 213.693 2.146 10 30 BEEERN C[C@H](C#N)N(CCC#N)Cc1ccccc1 ZINC000584641913 398084870 /nfs/dbraw/zinc/08/48/70/398084870.db2.gz YYCAAMWWULBXMO-GFCCVEGCSA-N 0 0 213.284 2.314 10 30 BEEERN C#CCN(C(=O)OC(C)C)C1CCCC1 ZINC000491671227 398058341 /nfs/dbraw/zinc/05/83/41/398058341.db2.gz FMLMXXQDFQGZBU-UHFFFAOYSA-N 0 0 209.289 2.409 10 30 BEEERN CC(C)N[C@]1(C#N)CCOc2ccccc21 ZINC000036924633 167142091 /nfs/dbraw/zinc/14/20/91/167142091.db2.gz WVLMVQKUESPMBP-ZDUSSCGKSA-N 0 0 216.284 2.186 10 30 BEEERN C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](CC)CC1 ZINC000301049872 487571623 /nfs/dbraw/zinc/57/16/23/487571623.db2.gz SAGACKPRXTVBMV-GHMZBOCLSA-N 0 0 211.305 2.138 10 30 BEEERN N#CC1(c2cc3c(cc2F)OCO3)CC1 ZINC000116251070 409665029 /nfs/dbraw/zinc/66/50/29/409665029.db2.gz VDQARVUWHICMFF-UHFFFAOYSA-N 0 0 205.188 2.110 10 30 BEEERN CCCN(C)c1cc(C)nc(C)c1C#N ZINC000157387319 410065712 /nfs/dbraw/zinc/06/57/12/410065712.db2.gz LGJJBUMAEOMIDM-UHFFFAOYSA-N 0 0 203.289 2.416 10 30 BEEERN C#CCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176366091 166175177 /nfs/dbraw/zinc/17/51/77/166175177.db2.gz AXQCBGNOJKMSGD-SNVBAGLBSA-N 0 0 249.339 2.013 10 30 BEEERN C#Cc1cccc(N[C@@H](C)C(=O)N[C@H](C)CC)c1 ZINC000020369661 166223841 /nfs/dbraw/zinc/22/38/41/166223841.db2.gz NZRUZBOAUHBOSG-NEPJUHHUSA-N 0 0 244.338 2.383 10 30 BEEERN C#Cc1cccc(NC[C@H]2CCCO2)c1 ZINC000020034391 166223928 /nfs/dbraw/zinc/22/39/28/166223928.db2.gz ZRIWNFMIJXXKCB-CYBMUJFWSA-N 0 0 201.269 2.259 10 30 BEEERN C#Cc1cccc(NCc2[nH]cnc2C)c1 ZINC000054793438 166224015 /nfs/dbraw/zinc/22/40/15/166224015.db2.gz CQFDVKZMRKVGTA-UHFFFAOYSA-N 0 0 211.268 2.312 10 30 BEEERN C=CCN1C[C@@H](C)C(=O)C(CC)(CC)C1=O ZINC000005819459 166358241 /nfs/dbraw/zinc/35/82/41/166358241.db2.gz SHTUEFWBMJJSIC-SNVBAGLBSA-N 0 0 223.316 2.026 10 30 BEEERN C=CCNCC(=O)c1ccc(CC)cc1 ZINC000041611819 166399183 /nfs/dbraw/zinc/39/91/83/166399183.db2.gz QBANNZSDTQCESX-UHFFFAOYSA-N 0 0 203.285 2.207 10 30 BEEERN C=CCN[C@@H](C#N)c1ccc(F)cc1C ZINC000051960274 166404309 /nfs/dbraw/zinc/40/43/09/166404309.db2.gz KEQLBQTZVLFQMB-LBPRGKRZSA-N 0 0 204.248 2.474 10 30 BEEERN CC(=O)c1sc(N2CCCCC2)c(C#N)c1N ZINC000096961543 166492610 /nfs/dbraw/zinc/49/26/10/166492610.db2.gz HEQRKQDXLTTZCS-UHFFFAOYSA-N 0 0 249.339 2.395 10 30 BEEERN CC(C)(C)OC(=O)N1CC(=NOC2CCC2)C1 ZINC000042750371 166644032 /nfs/dbraw/zinc/64/40/32/166644032.db2.gz COGYSQMYATXGFN-UHFFFAOYSA-N 0 0 240.303 2.162 10 30 BEEERN CC(C)N[C@@H](C#N)c1ccc2c(c1)OCCO2 ZINC000020175575 167130208 /nfs/dbraw/zinc/13/02/08/167130208.db2.gz WTWHLSDETRMWJP-NSHDSACASA-N 0 0 232.283 2.020 10 30 BEEERN CC(C)O[C@H]1CC(OC2CC2)=CC(C#N)=N1 ZINC000095736440 167282851 /nfs/dbraw/zinc/28/28/51/167282851.db2.gz IOTVFLHFWCQOAG-LBPRGKRZSA-N 0 0 220.272 2.169 10 30 BEEERN CC(C)Oc1ccc(N2C[C@@H](C#N)CC2=O)cc1 ZINC000011894344 167295585 /nfs/dbraw/zinc/29/55/85/167295585.db2.gz XHAWHJUFAYTZHM-LLVKDONJSA-N 0 0 244.294 2.350 10 30 BEEERN CC(C)Oc1ccc([C@@H](C)C(=O)N(C)O)cc1 ZINC000026254187 167299135 /nfs/dbraw/zinc/29/91/35/167299135.db2.gz HINIMWBPFIPRGS-SNVBAGLBSA-N 0 0 237.299 2.425 10 30 BEEERN CC(C)Oc1cncc(OC2CC2)c1C#N ZINC000095721929 167311835 /nfs/dbraw/zinc/31/18/35/167311835.db2.gz WFBBAJHWKZLXRE-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)[C@@H](C)NC(=O)c1cc(C#N)cs1 ZINC000084060420 167378071 /nfs/dbraw/zinc/37/80/71/167378071.db2.gz KEBYCDLVQLZDTJ-MRVPVSSYSA-N 0 0 222.313 2.394 10 30 BEEERN CC(C)c1ccc2ccnc(C(N)=NO)c2c1 ZINC000521400796 411211872 /nfs/dbraw/zinc/21/18/72/411211872.db2.gz BUMLWHZWYNHVJA-UHFFFAOYSA-N 0 0 229.283 2.453 10 30 BEEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659802209 411293780 /nfs/dbraw/zinc/29/37/80/411293780.db2.gz OXRRDCCYYPBTJK-NEPJUHHUSA-N 0 0 223.316 2.138 10 30 BEEERN CCC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000095643054 168251088 /nfs/dbraw/zinc/25/10/88/168251088.db2.gz RJGPAZWFWOJMAA-GFCCVEGCSA-N 0 0 212.252 2.220 10 30 BEEERN CCNC(=S)N/N=C(/C)c1cccc(F)c1 ZINC000033715379 170105296 /nfs/dbraw/zinc/10/52/96/170105296.db2.gz IHZMLRPMGSOETM-ZSOIEALJSA-N 0 0 239.319 2.034 10 30 BEEERN CCN[C@H](C#N)c1cnn(-c2ccccc2)c1 ZINC000020379302 170156492 /nfs/dbraw/zinc/15/64/92/170156492.db2.gz IZWBWOLIXHDQHX-CYBMUJFWSA-N 0 0 226.283 2.046 10 30 BEEERN CCN[C@H](C#N)c1cc2c(c(Cl)c1)OCO2 ZINC000036897151 170156512 /nfs/dbraw/zinc/15/65/12/170156512.db2.gz WUOIDVJZSMVHON-SECBINFHSA-N 0 0 238.674 2.243 10 30 BEEERN CCNc1nc(C(F)(F)F)ccc1C#N ZINC000050871649 170176066 /nfs/dbraw/zinc/17/60/66/170176066.db2.gz FWHSVTZUDUHQQL-UHFFFAOYSA-N 0 0 215.178 2.404 10 30 BEEERN CCOC(=O)CCNc1cc(C#N)ccc1C ZINC000050430251 170210083 /nfs/dbraw/zinc/21/00/83/170210083.db2.gz SISACARHCPSNGE-UHFFFAOYSA-N 0 0 232.283 2.232 10 30 BEEERN CCOC(=O)CS[C@H]1CCCC[C@@H]1C#N ZINC000036337230 170230023 /nfs/dbraw/zinc/23/00/23/170230023.db2.gz ASLNVHRGKJLVQQ-ZJUUUORDSA-N 0 0 227.329 2.365 10 30 BEEERN CCOC(=O)Nc1ccc(C)c(C#CCCO)c1 ZINC000104060980 170244168 /nfs/dbraw/zinc/24/41/68/170244168.db2.gz BRMNJMFWNAJHKV-UHFFFAOYSA-N 0 0 247.294 2.297 10 30 BEEERN CCOC(=O)[C@@H](C#N)Cc1cccc(C)c1 ZINC000074467856 170244317 /nfs/dbraw/zinc/24/43/17/170244317.db2.gz PAPTVLRXFKNJDF-GFCCVEGCSA-N 0 0 217.268 2.240 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000002530109 170245044 /nfs/dbraw/zinc/24/50/44/170245044.db2.gz PFKUFADPLSSBMK-QMMMGPOBSA-N 0 0 246.291 2.467 10 30 BEEERN CCOC(=O)[C@@](C)(C#N)c1ccccc1F ZINC000095829320 170260456 /nfs/dbraw/zinc/26/04/56/170260456.db2.gz BPAUZMQCSIBDRD-LBPRGKRZSA-N 0 0 221.231 2.170 10 30 BEEERN CCOC(=O)[C@@](C)(C#N)Cc1ccc(OC)cc1 ZINC000057536220 170260642 /nfs/dbraw/zinc/26/06/42/170260642.db2.gz XZBGQSFNYQMZCM-CQSZACIVSA-N 0 0 247.294 2.331 10 30 BEEERN CCOC(=O)[C@H](C#N)Cc1ccccc1F ZINC000034784079 170263600 /nfs/dbraw/zinc/26/36/00/170263600.db2.gz KWSSNXKQLCXYJS-JTQLQIEISA-N 0 0 221.231 2.071 10 30 BEEERN CCOc1cc2c(cc1[C@@H](C#N)NC)O[C@H](C)C2 ZINC000020378363 170529688 /nfs/dbraw/zinc/52/96/88/170529688.db2.gz ZTRVOWRCXPISOB-BXKDBHETSA-N 0 0 246.310 2.193 10 30 BEEERN CC[C@H](C#N)OCCOc1ccccc1 ZINC000043557100 171219496 /nfs/dbraw/zinc/21/94/96/171219496.db2.gz HNPZOTAJJWBXHV-LLVKDONJSA-N 0 0 205.257 2.384 10 30 BEEERN CC[C@H](C)N[C@@H](C#N)c1ccc(O)c(O)c1 ZINC000038064213 171345370 /nfs/dbraw/zinc/34/53/70/171345370.db2.gz NDVBMDVCMKUZAZ-WPRPVWTQSA-N 0 0 220.272 2.051 10 30 BEEERN CC[C@H](C)N[C@@H](C#N)c1ccc(O)cc1 ZINC000038064697 171345478 /nfs/dbraw/zinc/34/54/78/171345478.db2.gz CNQSXIVLARYUAX-CABZTGNLSA-N 0 0 204.273 2.345 10 30 BEEERN CC[C@H](C)OCc1ccc(OC)c(C#CCO)c1 ZINC000049622024 171355638 /nfs/dbraw/zinc/35/56/38/171355638.db2.gz DCTFEJIQXORASB-LBPRGKRZSA-N 0 0 248.322 2.354 10 30 BEEERN CC[C@H](Nc1ncc(N)cc1C#N)C(C)C ZINC000042586825 171553142 /nfs/dbraw/zinc/55/31/42/171553142.db2.gz QXNGGFSWFBPGSG-NSHDSACASA-N 0 0 218.304 2.382 10 30 BEEERN CC[C@](C)(CCO)Nc1ccc(C#N)c(C)n1 ZINC000292084630 171691684 /nfs/dbraw/zinc/69/16/84/171691684.db2.gz YDWHDGPVFWUFCC-CYBMUJFWSA-N 0 0 233.315 2.225 10 30 BEEERN CCc1nc2cc(OC[C@@H]3CO3)ccc2o1 ZINC000039102155 172012319 /nfs/dbraw/zinc/01/23/19/172012319.db2.gz QTTVBJDNOFPCPS-SECBINFHSA-N 0 0 219.240 2.168 10 30 BEEERN CN(C(=O)CC#N)c1cccc(Cl)c1 ZINC000077302391 172300579 /nfs/dbraw/zinc/30/05/79/172300579.db2.gz XCJZTAMTOACYPG-UHFFFAOYSA-N 0 0 208.648 2.216 10 30 BEEERN CN(C(=O)c1cccs1)C(C)(C)C#N ZINC000057495415 172344655 /nfs/dbraw/zinc/34/46/55/172344655.db2.gz QUTBCWGCDROWHN-UHFFFAOYSA-N 0 0 208.286 2.122 10 30 BEEERN CN(C)/C=N/c1nc2ccc(O)cc2s1 ZINC000045238192 172351721 /nfs/dbraw/zinc/35/17/21/172351721.db2.gz YFJJQIUNFRZYIL-IZZDOVSWSA-N 0 0 221.285 2.223 10 30 BEEERN CN(C)/C=N\c1nc2ccc(O)cc2s1 ZINC000100173880 172352842 /nfs/dbraw/zinc/35/28/42/172352842.db2.gz YFJJQIUNFRZYIL-WDZFZDKYSA-N 0 0 221.285 2.223 10 30 BEEERN CN(CC1CCC1)c1ccc(C#N)cc1N ZINC000061455876 172656812 /nfs/dbraw/zinc/65/68/12/172656812.db2.gz JDLFWAQIKGPVML-UHFFFAOYSA-N 0 0 215.300 2.377 10 30 BEEERN CN(Cc1cccnc1C#N)c1cccc(N)c1 ZINC000061659272 172886297 /nfs/dbraw/zinc/88/62/97/172886297.db2.gz FFIIFXBAHZPLSV-UHFFFAOYSA-N 0 0 238.294 2.172 10 30 BEEERN CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000019934412 173094229 /nfs/dbraw/zinc/09/42/29/173094229.db2.gz MLBHWENVLKWPMV-CYBMUJFWSA-N 0 0 249.745 2.152 10 30 BEEERN CN[C@@H](C#N)CCOc1ccc(C)c(C)c1 ZINC000019667042 173409461 /nfs/dbraw/zinc/40/94/61/173409461.db2.gz QQPOBJFMLJHRSU-GFCCVEGCSA-N 0 0 218.300 2.184 10 30 BEEERN CO/C(Cl)=N/Nc1ccc(OC)cc1 ZINC000033761259 173491635 /nfs/dbraw/zinc/49/16/35/173491635.db2.gz AMCCZZOOFZBQKI-FMIVXFBMSA-N 0 0 214.652 2.263 10 30 BEEERN COC(=O)[C@@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000043626891 173691926 /nfs/dbraw/zinc/69/19/26/173691926.db2.gz HKXRYSQKRXTBBM-SSDOTTSWSA-N 0 0 238.674 2.185 10 30 BEEERN COC(=O)[C@@H](C)Nc1ccc(Cl)cc1C#N ZINC000052857017 173692417 /nfs/dbraw/zinc/69/24/17/173692417.db2.gz RBJLZQKBOIQYNO-SSDOTTSWSA-N 0 0 238.674 2.185 10 30 BEEERN COC1=C(C)C(=O)C(=O)c2c(C)cccc21 ZINC000028378477 174012395 /nfs/dbraw/zinc/01/23/95/174012395.db2.gz KLTRXFITHLTUEA-UHFFFAOYSA-N 0 0 216.236 2.138 10 30 BEEERN COCCCN[C@@H](C#N)c1ccc(F)cc1 ZINC000019988867 174248982 /nfs/dbraw/zinc/24/89/82/174248982.db2.gz WHJHMFFYFPIJOB-LBPRGKRZSA-N 0 0 222.263 2.016 10 30 BEEERN COCCN(CCC#N)c1ccccc1 ZINC000019489086 174289087 /nfs/dbraw/zinc/28/90/87/174289087.db2.gz DQCQSBUYOILVSB-UHFFFAOYSA-N 0 0 204.273 2.053 10 30 BEEERN COCCN(c1ccccc1C#N)[C@@H](C)COC ZINC000042610315 174301802 /nfs/dbraw/zinc/30/18/02/174301802.db2.gz HCGKPEORDWCNNA-LBPRGKRZSA-N 0 0 248.326 2.046 10 30 BEEERN COCCN[C@@]1(C#N)CCSc2ccccc21 ZINC000053256351 174339205 /nfs/dbraw/zinc/33/92/05/174339205.db2.gz QUDQLWCYNYIVHU-CYBMUJFWSA-N 0 0 248.351 2.137 10 30 BEEERN COCCN[C@@]1(C#N)C[C@H](C)CC(C)(C)C1 ZINC000053256372 174339290 /nfs/dbraw/zinc/33/92/90/174339290.db2.gz TZNYWEARRHETJD-YPMHNXCESA-N 0 0 224.348 2.331 10 30 BEEERN COCCN[C@]1(C#N)C[C@@H](C)CC(C)(C)C1 ZINC000053256375 174341244 /nfs/dbraw/zinc/34/12/44/174341244.db2.gz TZNYWEARRHETJD-WCQYABFASA-N 0 0 224.348 2.331 10 30 BEEERN CO[C@H](C)c1noc(Cc2ccc(C#N)cc2)n1 ZINC000228020891 174855172 /nfs/dbraw/zinc/85/51/72/174855172.db2.gz BHKXBNUDNZKFSP-SECBINFHSA-N 0 0 243.266 2.239 10 30 BEEERN CO[C@H]1CCC[C@@H](Nc2ncccc2C#N)C1 ZINC000301796490 174880599 /nfs/dbraw/zinc/88/05/99/174880599.db2.gz ULOPDZOSYISUAL-NEPJUHHUSA-N 0 0 231.299 2.323 10 30 BEEERN COc1cc(/C=C\C(C)=O)cc(OC)c1OC ZINC000033290870 174941047 /nfs/dbraw/zinc/94/10/47/174941047.db2.gz DPZIOGVAJXVGGL-WAYWQWQTSA-N 0 0 236.267 2.315 10 30 BEEERN COc1ccc(/C=N/NC(C)(C)C)c(OC)c1 ZINC000003231818 175048842 /nfs/dbraw/zinc/04/88/42/175048842.db2.gz ALDHSIAJRPJRNA-NTEUORMPSA-N 0 0 236.315 2.426 10 30 BEEERN COc1ccc(C(=O)CCC#N)cc1C ZINC000036275874 175054020 /nfs/dbraw/zinc/05/40/20/175054020.db2.gz ALUNCIUDZUAMBA-UHFFFAOYSA-N 0 0 203.241 2.490 10 30 BEEERN COc1ccc(C)cc1[C@H](C#N)C(C)=O ZINC000036930962 175081651 /nfs/dbraw/zinc/08/16/51/175081651.db2.gz VGCIYEDXPIZKBP-LLVKDONJSA-N 0 0 203.241 2.200 10 30 BEEERN COc1ccc(COC2CCC2)cc1C#CCO ZINC000050521159 175113573 /nfs/dbraw/zinc/11/35/73/175113573.db2.gz LCFRQSVGWGORCX-UHFFFAOYSA-N 0 0 246.306 2.108 10 30 BEEERN COc1ccc(C[C@H](C)C#N)cc1OC ZINC000080182985 175116577 /nfs/dbraw/zinc/11/65/77/175116577.db2.gz QYPVUSRSPJQLAY-VIFPVBQESA-N 0 0 205.257 2.406 10 30 BEEERN COc1ccc(NC(=O)[C@H](C)C#N)cc1C ZINC000044825735 175146767 /nfs/dbraw/zinc/14/67/67/175146767.db2.gz DSNQXEKNJPFKDC-SECBINFHSA-N 0 0 218.256 2.102 10 30 BEEERN COc1ccc(Nc2ccc(C#N)nn2)cc1C ZINC000301966041 175156186 /nfs/dbraw/zinc/15/61/86/175156186.db2.gz KLBUQTQHBJDQIC-UHFFFAOYSA-N 0 0 240.266 2.409 10 30 BEEERN COc1ccc([C@H](C)NCCC#N)c(OC)c1 ZINC000020199920 175188231 /nfs/dbraw/zinc/18/82/31/175188231.db2.gz ADYAOPAWERKLPY-JTQLQIEISA-N 0 0 234.299 2.268 10 30 BEEERN COc1ccc2c(CCS)noc2c1 ZINC000031888889 175204775 /nfs/dbraw/zinc/20/47/75/175204775.db2.gz VPUTZCQNRDRFQN-UHFFFAOYSA-N 0 0 209.270 2.309 10 30 BEEERN COc1ccc2c(c1)c(C#N)c1n2CCC1 ZINC000075621595 175217935 /nfs/dbraw/zinc/21/79/35/175217935.db2.gz YGYMHGLCGCVJCC-UHFFFAOYSA-N 0 0 212.252 2.468 10 30 BEEERN COc1cccc(-c2cc(CC#N)no2)c1 ZINC000038486270 175233224 /nfs/dbraw/zinc/23/32/24/175233224.db2.gz AFTGXCXPEJBZFU-UHFFFAOYSA-N 0 0 214.224 2.416 10 30 BEEERN COc1cccc(NC2=NC[C@H](C)S2)c1 ZINC000035082648 175241526 /nfs/dbraw/zinc/24/15/26/175241526.db2.gz JTKAHLGWWOFGIK-QMMMGPOBSA-N 0 0 222.313 2.408 10 30 BEEERN COc1cccc(C(=O)[C@@H](C)CC#N)c1 ZINC000033426637 175246945 /nfs/dbraw/zinc/24/69/45/175246945.db2.gz SPWNTRMUKDFXLL-VIFPVBQESA-N 0 0 203.241 2.428 10 30 BEEERN COc1cccc(C2=CC(=O)C[C@](C)(O)C2)c1 ZINC000040174912 175248776 /nfs/dbraw/zinc/24/87/76/175248776.db2.gz GHTOXIALXLXZCJ-CQSZACIVSA-N 0 0 232.279 2.193 10 30 BEEERN COc1cccc(CO)c1OCCCCC#N ZINC000049578722 175269736 /nfs/dbraw/zinc/26/97/36/175269736.db2.gz GBFFWNOLKJKTLT-UHFFFAOYSA-N 0 0 235.283 2.260 10 30 BEEERN COc1cccc(N[C@@H](C#N)[C@H]2CCOC2)c1 ZINC000037937735 175279307 /nfs/dbraw/zinc/27/93/07/175279307.db2.gz ZDQLHAISFUOKGV-GWCFXTLKSA-N 0 0 232.283 2.036 10 30 BEEERN COc1cccc([C@@H](C#N)N2CCCC2)c1OC ZINC000019934985 175285577 /nfs/dbraw/zinc/28/55/77/175285577.db2.gz AHDBMKVIIKVGGY-GFCCVEGCSA-N 0 0 246.310 2.364 10 30 BEEERN COc1cccc([C@H](C#N)NC[C@H]2CCCO2)c1 ZINC000037940081 175291847 /nfs/dbraw/zinc/29/18/47/175291847.db2.gz DSJPAIUKAUGPPV-KGLIPLIRSA-N 0 0 246.310 2.028 10 30 BEEERN COc1cccc([C@H](C#N)NC2CC2)c1 ZINC000020173263 175291879 /nfs/dbraw/zinc/29/18/79/175291879.db2.gz VLRZRYZKFONYMT-LBPRGKRZSA-N 0 0 202.257 2.012 10 30 BEEERN COc1cccc([C@H](C#N)N2CCCC2)c1OC ZINC000019934987 175292037 /nfs/dbraw/zinc/29/20/37/175292037.db2.gz AHDBMKVIIKVGGY-LBPRGKRZSA-N 0 0 246.310 2.364 10 30 BEEERN COc1ccccc1C(=O)N(CC#N)C(C)C ZINC000057520301 175316447 /nfs/dbraw/zinc/31/64/47/175316447.db2.gz IBVWGPXEONDUCF-UHFFFAOYSA-N 0 0 232.283 2.069 10 30 BEEERN COc1ccccc1C(=O)N(CCC#N)C1CC1 ZINC000042548704 175316722 /nfs/dbraw/zinc/31/67/22/175316722.db2.gz RTPUUIYIJKAGKW-UHFFFAOYSA-N 0 0 244.294 2.213 10 30 BEEERN COc1ccccc1N[C@@H](C#N)[C@@H]1CCOC1 ZINC000037938676 175338503 /nfs/dbraw/zinc/33/85/03/175338503.db2.gz BNCPQJJKFWWMSJ-PWSUYJOCSA-N 0 0 232.283 2.036 10 30 BEEERN COc1ccccc1Nc1nccc(C#N)n1 ZINC000082293116 175339937 /nfs/dbraw/zinc/33/99/37/175339937.db2.gz ALZZZEYCEKFYBW-UHFFFAOYSA-N 0 0 226.239 2.100 10 30 BEEERN COc1cnc(CC#N)cc1OC1CCCC1 ZINC000034556810 175381473 /nfs/dbraw/zinc/38/14/73/175381473.db2.gz RMKKUWPWQLCATF-UHFFFAOYSA-N 0 0 232.283 2.478 10 30 BEEERN CS[C@]1(C)c2cccc(C#N)c2NC1=O ZINC000390822104 175553041 /nfs/dbraw/zinc/55/30/41/175553041.db2.gz DTSJJPWAFBMZRB-LLVKDONJSA-N 0 0 218.281 2.089 10 30 BEEERN CSc1c(C#N)nccc1OC1CC1 ZINC000095732483 175571835 /nfs/dbraw/zinc/57/18/35/175571835.db2.gz ACAPRECAHZLRLX-UHFFFAOYSA-N 0 0 206.270 2.216 10 30 BEEERN C[C@@H](C#N)CN(C)C(=O)c1c[nH]c2ccccc21 ZINC000037842099 175595754 /nfs/dbraw/zinc/59/57/54/175595754.db2.gz HUFHUWFEHUJHPA-JTQLQIEISA-N 0 0 241.294 2.400 10 30 BEEERN C[C@@H](CC#N)Nc1ccc2c(c1)OCO2 ZINC000032010241 175639424 /nfs/dbraw/zinc/63/94/24/175639424.db2.gz KASLNMXAEBCSPV-QMMMGPOBSA-N 0 0 204.229 2.129 10 30 BEEERN C[C@@H](CC1CC1)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235081436 175657645 /nfs/dbraw/zinc/65/76/45/175657645.db2.gz RVCRPGYUSNPGSA-QMMMGPOBSA-N 0 0 246.270 2.462 10 30 BEEERN C[C@@H](OC1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000050520456 176002324 /nfs/dbraw/zinc/00/23/24/176002324.db2.gz PNXILYDTWRMSSU-SNVBAGLBSA-N 0 0 244.294 2.454 10 30 BEEERN C[C@@H]1CCCC[C@@H]1Oc1ncc(N)cc1C#N ZINC000037759305 176082686 /nfs/dbraw/zinc/08/26/86/176082686.db2.gz WVPSORDVZXODRL-SKDRFNHKSA-N 0 0 231.299 2.493 10 30 BEEERN C[C@@H]1CCCC[C@H]1N(C)c1nccc(C#N)n1 ZINC000231899291 176086027 /nfs/dbraw/zinc/08/60/27/176086027.db2.gz MIFZJZSCYZCFFG-ZYHUDNBSSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@@H]1CCCC[C@H]1Oc1ncccc1/C(N)=N/O ZINC000019802837 176090464 /nfs/dbraw/zinc/09/04/64/176090464.db2.gz NMFRQOCCZIMIPB-MWLCHTKSSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@@H]1CCCN1CC(=O)c1ccc(C#N)cc1 ZINC000037911500 176109099 /nfs/dbraw/zinc/10/90/99/176109099.db2.gz GMEKKLVAVHSQKH-LLVKDONJSA-N 0 0 228.295 2.225 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(F)c2)O1 ZINC000308122307 176196927 /nfs/dbraw/zinc/19/69/27/176196927.db2.gz RGQZOSOTQGSTIK-PELKAZGASA-N 0 0 248.257 2.203 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1Cc1ccccc1C#N ZINC000077368368 176346551 /nfs/dbraw/zinc/34/65/51/176346551.db2.gz GEXPRLMODCOTFR-VXGBXAGGSA-N 0 0 230.311 2.167 10 30 BEEERN C[C@@](N)(C#N)Cc1c(F)cccc1Cl ZINC000041226444 176509735 /nfs/dbraw/zinc/50/97/35/176509735.db2.gz VIFMCADSPROYSE-JTQLQIEISA-N 0 0 212.655 2.263 10 30 BEEERN C[C@@]1(O)CC(=O)C=C(c2ccccc2[N+](=O)[O-])C1 ZINC000040174978 176539999 /nfs/dbraw/zinc/53/99/99/176539999.db2.gz IORIQGHEEKSZRK-ZDUSSCGKSA-N 0 0 247.250 2.092 10 30 BEEERN C[C@H](C#N)CNCc1ccc2c(c1)OCCCO2 ZINC000054181519 176553823 /nfs/dbraw/zinc/55/38/23/176553823.db2.gz FVEKXTKHHYAXCR-LLVKDONJSA-N 0 0 246.310 2.097 10 30 BEEERN C[C@@H](NC[C@H](C)C#N)c1cccc(C#N)c1 ZINC000054181392 176553883 /nfs/dbraw/zinc/55/38/83/176553883.db2.gz YIUJUEXBOIFWRO-GHMZBOCLSA-N 0 0 213.284 2.369 10 30 BEEERN C[C@@H](NC[C@H](C)C#N)c1nc2ccccc2n1C ZINC000054179336 176554195 /nfs/dbraw/zinc/55/41/95/176554195.db2.gz AKCPNOKSSWNQRU-GHMZBOCLSA-N 0 0 242.326 2.384 10 30 BEEERN C[C@H](C#N)NCc1ccc(F)c(Cl)c1 ZINC000053157090 176555246 /nfs/dbraw/zinc/55/52/46/176555246.db2.gz OMPUJGVJHPQYAU-SSDOTTSWSA-N 0 0 212.655 2.481 10 30 BEEERN C[C@H](Nc1nccnc1C#N)c1ccco1 ZINC000054377319 176940061 /nfs/dbraw/zinc/94/00/61/176940061.db2.gz PRICEFAIOZJFEZ-QMMMGPOBSA-N 0 0 214.228 2.114 10 30 BEEERN C[C@H](Oc1cccc(C#N)c1)C(=O)NC(C)(C)C ZINC000007770224 177023148 /nfs/dbraw/zinc/02/31/48/177023148.db2.gz YBWDCCOCJQCSCI-JTQLQIEISA-N 0 0 246.310 2.240 10 30 BEEERN C[C@H](Oc1cccc2ccccc21)/C(N)=N/O ZINC000006019931 177024041 /nfs/dbraw/zinc/02/40/41/177024041.db2.gz KLWGWDOTUDKLKT-VIFPVBQESA-N 0 0 230.267 2.354 10 30 in-man BEEERN C[C@@H]1Cc2[nH]c(=S)c(C#N)cc2C(=O)C1 ZINC000072416528 177062870 /nfs/dbraw/zinc/06/28/70/177062870.db2.gz IXIWYNPOSFUMFQ-ZCFIWIBFSA-N 0 0 218.281 2.007 10 30 BEEERN C[C@H]1CC(C)(C)C[C@](C#N)(NCCCO)C1 ZINC000053708788 177063913 /nfs/dbraw/zinc/06/39/13/177063913.db2.gz KXLCVYGJLKIMRG-WCQYABFASA-N 0 0 224.348 2.067 10 30 BEEERN C[C@H]1CCCC[C@@H]1OCCC/C(N)=N/O ZINC000019511822 177084521 /nfs/dbraw/zinc/08/45/21/177084521.db2.gz KVTNNEXUWPMIIX-UWVGGRQHSA-N 0 0 214.309 2.108 10 30 BEEERN C[C@H]1CCCC[C@H]1Oc1ncccc1/C(N)=N/O ZINC000019802838 177090435 /nfs/dbraw/zinc/09/04/35/177090435.db2.gz NMFRQOCCZIMIPB-GXSJLCMTSA-N 0 0 249.314 2.134 10 30 BEEERN C[C@H]1CCCN(c2ncc(C#N)s2)C1 ZINC000082418665 177105375 /nfs/dbraw/zinc/10/53/75/177105375.db2.gz COFQOTPJGPQFSF-QMMMGPOBSA-N 0 0 207.302 2.251 10 30 BEEERN C[C@@H]1CCC[C@H](C)N(c2cnc(C#N)cn2)C1 ZINC000125520404 177115371 /nfs/dbraw/zinc/11/53/71/177115371.db2.gz RUOGXFOPCXBYMY-MNOVXSKESA-N 0 0 230.315 2.363 10 30 BEEERN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C#N)nc1 ZINC000115017330 177131655 /nfs/dbraw/zinc/13/16/55/177131655.db2.gz XNZZDGZRBMWVHU-QWRGUYRKSA-N 0 0 243.310 2.356 10 30 BEEERN C[C@@H]1CC[C@H](C)c2[nH]c(=O)c(C#N)cc21 ZINC000049812450 177187163 /nfs/dbraw/zinc/18/71/63/177187163.db2.gz YMLGKRXKDKNGFJ-SFYZADRCSA-N 0 0 202.257 2.247 10 30 BEEERN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C=O ZINC000224534255 177222212 /nfs/dbraw/zinc/22/22/12/177222212.db2.gz PLVBIBPBUCVLHC-VHSXEESVSA-N 0 0 227.304 2.078 10 30 BEEERN C[C@H]1CN(C(=O)c2ccc(C#N)cc2)CCS1 ZINC000134338670 177226008 /nfs/dbraw/zinc/22/60/08/177226008.db2.gz WVPHOCFZAOISGL-JTQLQIEISA-N 0 0 246.335 2.136 10 30 BEEERN C[C@H]1CN([C@@H]2CCCCC[C@@H]2C#N)CCO1 ZINC000037145854 177275100 /nfs/dbraw/zinc/27/51/00/177275100.db2.gz ZYEGYSKBJIIDGK-YNEHKIRRSA-N 0 0 222.332 2.180 10 30 BEEERN C[C@H]1CN(c2ccccc2C#N)CCCO1 ZINC000061932232 177277328 /nfs/dbraw/zinc/27/73/28/177277328.db2.gz NNYYXXXNPCPMJU-NSHDSACASA-N 0 0 216.284 2.173 10 30 BEEERN C[C@@H]1COC[C@H](C)N1Cc1ccc(C#N)cc1 ZINC000120880891 177299311 /nfs/dbraw/zinc/29/93/11/177299311.db2.gz KNSJAUDCGSPYKR-TXEJJXNPSA-N 0 0 230.311 2.167 10 30 BEEERN C[C@H]1C[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000264552886 177350778 /nfs/dbraw/zinc/35/07/78/177350778.db2.gz ZIGNPRSBZCGQNZ-XPUUQOCRSA-N 0 0 207.664 2.427 10 30 BEEERN C[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000052291840 177351006 /nfs/dbraw/zinc/35/10/06/177351006.db2.gz CEYXPIARZPNZHW-CPCISQLKSA-N 0 0 217.228 2.287 10 30 BEEERN C[C@H]1Cc2ccccc2N1C[C@]1(C=O)CCOC1 ZINC000051175839 177390476 /nfs/dbraw/zinc/39/04/76/177390476.db2.gz YZEYMINXZLESQA-WFASDCNBSA-N 0 0 245.322 2.043 10 30 BEEERN C[C@](C#N)(C1CCCCC1)N1CCOCC1 ZINC000037367436 177440797 /nfs/dbraw/zinc/44/07/97/177440797.db2.gz APUCHBDNYUFDKM-ZDUSSCGKSA-N 0 0 222.332 2.181 10 30 BEEERN C[C@]1(F)CCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000408242256 177467616 /nfs/dbraw/zinc/46/76/16/177467616.db2.gz RQWLFTCVCNUQMD-LBPRGKRZSA-N 0 0 249.245 2.405 10 30 BEEERN Cc1ccc([C@H](C)Nc2cncc(C#N)n2)o1 ZINC000401231234 226353854 /nfs/dbraw/zinc/35/38/54/226353854.db2.gz NPMWQJSRAIGVGG-VIFPVBQESA-N 0 0 228.255 2.423 10 30 BEEERN N#CC[C@H]1OC(=O)c2ccc(Cl)cc21 ZINC000238529851 487667095 /nfs/dbraw/zinc/66/70/95/487667095.db2.gz ZXYQQVXXQDOQJR-SECBINFHSA-N 0 0 207.616 2.465 10 30 BEEERN CCCc1nn([C@@H](C)C2CC2)c(N)c1C#N ZINC000087503596 259044868 /nfs/dbraw/zinc/04/48/68/259044868.db2.gz ZBOFEIQXYIFLIS-QMMMGPOBSA-N 0 0 218.304 2.260 10 30 BEEERN CCC[C@H]1C[C@@H]1Nc1cc(C)ncc1C#N ZINC000399462534 266080548 /nfs/dbraw/zinc/08/05/48/266080548.db2.gz QNEVCMWRFQXLAA-GWCFXTLKSA-N 0 0 215.300 2.284 10 30 BEEERN C[C@H]1CC[C@@H](O)CN1c1cccc(F)c1C#N ZINC000399326561 267221660 /nfs/dbraw/zinc/22/16/60/267221660.db2.gz LUPDSMZEJHYIJI-VHSXEESVSA-N 0 0 234.274 2.047 10 30 BEEERN C[C@H]1CC[C@@H](O)CN1Cc1cccc(C#N)c1F ZINC000399333275 267221869 /nfs/dbraw/zinc/22/18/69/267221869.db2.gz ZGOMMYOAHWGHFK-GXFFZTMASA-N 0 0 248.301 2.043 10 30 BEEERN C=CCCCN(C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252980946 487841539 /nfs/dbraw/zinc/84/15/39/487841539.db2.gz OXGGUMHHLJEDIX-ZSBIGDGJSA-N 0 0 207.317 2.457 10 30 BEEERN C=C[C@H](C)NC(=O)[C@@H](C)COc1ccccc1 ZINC000127305878 324759962 /nfs/dbraw/zinc/75/99/62/324759962.db2.gz ACEBEFNJHFXHLJ-RYUDHWBXSA-N 0 0 233.311 2.392 10 30 BEEERN C=C(C)CN(CC)Cc1nsc(N(C)C)n1 ZINC000127720686 324784507 /nfs/dbraw/zinc/78/45/07/324784507.db2.gz YPJRWGYCFONCPT-UHFFFAOYSA-N 0 0 240.376 2.002 10 30 BEEERN Cc1ccc(C(=O)N[C@](C)(C#N)C(C)C)c(C)n1 ZINC000129765313 324983352 /nfs/dbraw/zinc/98/33/52/324983352.db2.gz OXCPGCGTPNAYRJ-CQSZACIVSA-N 0 0 245.326 2.367 10 30 BEEERN C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000269763477 325124691 /nfs/dbraw/zinc/12/46/91/325124691.db2.gz FNKJZOMNUZJHLX-SCVCMEIPSA-N 0 0 245.326 2.441 10 30 BEEERN CC1(C(=O)N[C@@H](C#N)C2CC2)CCCCC1 ZINC000133451313 325295137 /nfs/dbraw/zinc/29/51/37/325295137.db2.gz ZBZCVPHEBXWOQP-NSHDSACASA-N 0 0 220.316 2.375 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2C#N)O1 ZINC000135185933 325399608 /nfs/dbraw/zinc/39/96/08/325399608.db2.gz PFPJDXYCGIDAPK-PELKAZGASA-N 0 0 248.257 2.203 10 30 BEEERN COC[C@@H](C)CNc1cccc(C#N)c1 ZINC000135625544 325420526 /nfs/dbraw/zinc/42/05/26/325420526.db2.gz QZADMVLXVAGUMU-JTQLQIEISA-N 0 0 204.273 2.253 10 30 BEEERN C[C@H]1CC[C@H](C(=O)Nc2sccc2C#N)O1 ZINC000153261120 325933025 /nfs/dbraw/zinc/93/30/25/325933025.db2.gz AYDLUUPBLJRNQT-IONNQARKSA-N 0 0 236.296 2.126 10 30 BEEERN C=CC[C@@H](C)[C@@H](CC1CCC1)S(N)(=O)=O ZINC000584600282 488018199 /nfs/dbraw/zinc/01/81/99/488018199.db2.gz FQGUIFDAZPUIDZ-MWLCHTKSSA-N 0 0 231.361 2.046 10 30 BEEERN C=CCCCN(C)c1cc(CO)cc(C)n1 ZINC000220295732 487496060 /nfs/dbraw/zinc/49/60/60/487496060.db2.gz KYKAMSVXGFAAIQ-UHFFFAOYSA-N 0 0 220.316 2.285 10 30 BEEERN CC(C)(C)C(=O)[C@H](C#N)c1cccnc1 ZINC000087617788 491091117 /nfs/dbraw/zinc/09/11/17/491091117.db2.gz QYEYWCTYNOICLK-SNVBAGLBSA-N 0 0 202.257 2.304 10 30 BEEERN C#CC1(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000409433835 491119595 /nfs/dbraw/zinc/11/95/95/491119595.db2.gz UNXMMMSBVPFLRM-UHFFFAOYSA-N 0 0 209.289 2.267 10 30 BEEERN CC(C)(C)OC(=O)Nc1cccnc1C#N ZINC000021984996 491119756 /nfs/dbraw/zinc/11/97/56/491119756.db2.gz NIVZGXCNLPGXPF-UHFFFAOYSA-N 0 0 219.244 2.300 10 30 BEEERN CCc1ccc(CSC[C@@](C)(N)C#N)o1 ZINC000757165542 582547194 /nfs/dbraw/zinc/54/71/94/582547194.db2.gz MBQUEDLNYSJLJV-NSHDSACASA-N 0 0 224.329 2.316 10 30 BEEERN Cc1cc(C(=O)OCCCCC#N)ccc1N ZINC000049579284 518186650 /nfs/dbraw/zinc/18/66/50/518186650.db2.gz UKQNEGYZBUXTHQ-UHFFFAOYSA-N 0 0 232.283 2.428 10 30 BEEERN CC(C)(C)OC(=O)N=C(N)NCc1ccccc1 ZINC000143916630 518798264 /nfs/dbraw/zinc/79/82/64/518798264.db2.gz FWKURORLXIFUAM-UHFFFAOYSA-N 0 0 249.314 2.026 10 30 BEEERN C=C[C@H](C)NC(=O)/C=C/c1ccnc(Cl)c1 ZINC000132511563 582800599 /nfs/dbraw/zinc/80/05/99/582800599.db2.gz UTMDJSMXNDZCFA-MOVJSRMASA-N 0 0 236.702 2.439 10 30 BEEERN C=CCCC(=O)N[C@H]1COc2ccccc21 ZINC000171443964 534626463 /nfs/dbraw/zinc/62/64/63/534626463.db2.gz JYTWHJSTDQQHBK-NSHDSACASA-N 0 0 217.268 2.203 10 30 BEEERN Cc1nn(Cc2ccccc2)c(C)c1C=NO ZINC000252672105 526293725 /nfs/dbraw/zinc/29/37/25/526293725.db2.gz PGJINSLINBVDJQ-UHFFFAOYSA-N 0 0 229.283 2.356 10 30 BEEERN C#CCN(C(=O)C1CC(C)C1)C1CCCC1 ZINC000490804107 526762406 /nfs/dbraw/zinc/76/24/06/526762406.db2.gz RWTUVDLYYAROMK-UHFFFAOYSA-N 0 0 219.328 2.437 10 30 BEEERN CC(C)[C@H]1CCO[C@H]1C(=O)Nc1cnns1 ZINC000329350348 535203473 /nfs/dbraw/zinc/20/34/73/535203473.db2.gz SYZDBXUCNZIPJC-VXNVDRBHSA-N 0 0 241.316 2.187 10 30 BEEERN CCCn1cc(CN(CC)C[C@H](C)C#N)cn1 ZINC000120499337 535607833 /nfs/dbraw/zinc/60/78/33/535607833.db2.gz ACWHQNWATBSCEE-GFCCVEGCSA-N 0 0 234.347 2.275 10 30 BEEERN CCCn1cc(CN(CC)C[C@@H](C)C#N)cn1 ZINC000120499150 535608219 /nfs/dbraw/zinc/60/82/19/535608219.db2.gz ACWHQNWATBSCEE-LBPRGKRZSA-N 0 0 234.347 2.275 10 30 BEEERN CC[C@H](CC#N)NC(=O)c1ccc(C)nc1C ZINC000055330913 536052929 /nfs/dbraw/zinc/05/29/29/536052929.db2.gz XIVJGOGTOJKAKC-LLVKDONJSA-N 0 0 231.299 2.121 10 30 BEEERN N#CC1(Cn2cc(Cl)c(N)n2)CCCC1 ZINC000405210992 537904820 /nfs/dbraw/zinc/90/48/20/537904820.db2.gz CKOHNWTZAZPQJJ-UHFFFAOYSA-N 0 0 224.695 2.033 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@H](C2CC2)C1 ZINC000332895543 566377559 /nfs/dbraw/zinc/37/75/59/566377559.db2.gz KKYUMXPWPIVFTA-YNEHKIRRSA-N 0 0 247.342 2.120 10 30 BEEERN C=CCOC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000111673676 588766200 /nfs/dbraw/zinc/76/62/00/588766200.db2.gz AKRMQTFKJPAFBN-AWEZNQCLSA-N 0 0 245.322 2.380 10 30 BEEERN CCCCCCCC(=O)N[C@@H](C)C(OC)OC ZINC000112837204 588818600 /nfs/dbraw/zinc/81/86/00/588818600.db2.gz CDQKKPQSEUPNFC-NSHDSACASA-N 0 0 245.363 2.471 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@]1(C)c1cccc(C)c1 ZINC000234590762 582460286 /nfs/dbraw/zinc/46/02/86/582460286.db2.gz DKBQJAODWBEHBA-VXGBXAGGSA-N 0 0 240.686 2.349 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1ccccc1C ZINC000234584577 582460592 /nfs/dbraw/zinc/46/05/92/582460592.db2.gz LSSUGHNMSXSSLU-NWDGAFQWSA-N 0 0 240.686 2.349 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@@]1(C)c1ccccc1F ZINC000234593665 582461156 /nfs/dbraw/zinc/46/11/56/582461156.db2.gz PRDHTHXVWMZBLV-QWRGUYRKSA-N 0 0 244.649 2.179 10 30 BEEERN O=C1Nc2cc(Br)ccc2[C@H]1S ZINC000757164945 582546681 /nfs/dbraw/zinc/54/66/81/582546681.db2.gz JWOHRQFCQAQWKP-SSDOTTSWSA-N 0 0 244.113 2.372 10 30 BEEERN CN[C@H](C#N)[C@H](C)SCc1occc1C ZINC000757166945 582547616 /nfs/dbraw/zinc/54/76/16/582547616.db2.gz TXUIZOKSNJIGQP-VHSXEESVSA-N 0 0 224.329 2.321 10 30 BEEERN CCc1ccc(CSCC[C@H](N)C#N)o1 ZINC000757166840 582548152 /nfs/dbraw/zinc/54/81/52/582548152.db2.gz SINWFGFMHFIOCZ-VIFPVBQESA-N 0 0 224.329 2.316 10 30 BEEERN CN[C@H](C#N)CSCc1ccc(Cl)o1 ZINC000757169824 582550039 /nfs/dbraw/zinc/55/00/39/582550039.db2.gz MMGZMWMXXYEGEA-SSDOTTSWSA-N 0 0 230.720 2.278 10 30 BEEERN C=CCCO[C@@H](C)C(=O)OCCc1cccnc1 ZINC000113665694 588848143 /nfs/dbraw/zinc/84/81/43/588848143.db2.gz ACSZHHDSRISVLO-LBPRGKRZSA-N 0 0 249.310 2.149 10 30 BEEERN C=CCCC(=O)Oc1cccc(CC(=O)OC)c1 ZINC000113675203 588848322 /nfs/dbraw/zinc/84/83/22/588848322.db2.gz VUJGFHLQIZCYTL-UHFFFAOYSA-N 0 0 248.278 2.274 10 30 BEEERN C[C@@H](CC#N)OC(=O)[C@@H]1CC1(Cl)Cl ZINC000113696053 588851025 /nfs/dbraw/zinc/85/10/25/588851025.db2.gz JFCCLGJAIMGJGP-WDSKDSINSA-N 0 0 222.071 2.026 10 30 BEEERN COC(=O)[C@H]1O[C@@]12CCCCC21CCCC1 ZINC000309225210 582901985 /nfs/dbraw/zinc/90/19/85/582901985.db2.gz HKOADQCJJCNHJO-MFKMUULPSA-N 0 0 224.300 2.431 10 30 BEEERN SCc1cccc(Br)n1 ZINC000147377186 583481568 /nfs/dbraw/zinc/48/15/68/583481568.db2.gz CNNFVJYOZCYJRT-UHFFFAOYSA-N 0 0 204.092 2.274 10 30 BEEERN C=CCCCN(C)C(=O)[C@H]1CSCCS1 ZINC000135113656 583585664 /nfs/dbraw/zinc/58/56/64/583585664.db2.gz XGLNWPPDRGOYGX-SNVBAGLBSA-N 0 0 245.413 2.260 10 30 BEEERN N#C[C@@H](C(=O)CCC1CC1)c1ccccn1 ZINC000115903130 588935496 /nfs/dbraw/zinc/93/54/96/588935496.db2.gz BZSTUOIMEBPTPF-LLVKDONJSA-N 0 0 214.268 2.448 10 30 BEEERN CC(=O)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000111689839 583923179 /nfs/dbraw/zinc/92/31/79/583923179.db2.gz YPOGHMWKMYDFTL-MRXNPFEDSA-N 0 0 241.334 2.339 10 30 BEEERN CS[C@@H](C)C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000103329178 585097995 /nfs/dbraw/zinc/09/79/95/585097995.db2.gz OFGZIMRWFKSKLE-JGVFFNPUSA-N 0 0 240.353 2.379 10 30 BEEERN CCCCO[C@H](C)C(=O)[C@@H](C#N)c1ccccn1 ZINC000103638055 586171591 /nfs/dbraw/zinc/17/15/91/586171591.db2.gz WXULZUOKIMJQCU-NEPJUHHUSA-N 0 0 246.310 2.463 10 30 BEEERN O=[N+]([O-])c1cc(CS)c(F)cc1F ZINC000757160902 586432291 /nfs/dbraw/zinc/43/22/91/586432291.db2.gz SSUNQAFRBWQYIF-UHFFFAOYSA-N 0 0 205.185 2.303 10 30 BEEERN C#C[C@@H](C)OC(=O)Cc1ccc(F)c(F)c1 ZINC000121582265 588242871 /nfs/dbraw/zinc/24/28/71/588242871.db2.gz MLLRJMUZIMVIIF-MRVPVSSYSA-N 0 0 224.206 2.072 10 30 BEEERN C#CCOc1ccccc1OC(=O)[C@H]1C[C@H]1C ZINC000107192209 588337672 /nfs/dbraw/zinc/33/76/72/588337672.db2.gz UWQQDCPQFBZKSF-MNOVXSKESA-N 0 0 230.263 2.260 10 30 BEEERN C#CCOc1ccccc1OC(=O)C[C@@H](C)OC ZINC000107191734 588337702 /nfs/dbraw/zinc/33/77/02/588337702.db2.gz MVCKFHBCUYZTTL-LLVKDONJSA-N 0 0 248.278 2.029 10 30 BEEERN Cc1cc(C(=O)N[C@@H](C#N)C2CC2)c(C)s1 ZINC000108842997 588493737 /nfs/dbraw/zinc/49/37/37/588493737.db2.gz VOVINUZKKRAHCJ-NSHDSACASA-N 0 0 234.324 2.397 10 30 BEEERN C[C@H](C#N)NC(=O)/C=C/C1CCCCC1 ZINC000117769874 589124201 /nfs/dbraw/zinc/12/42/01/589124201.db2.gz RZOFXTRXQJOAOP-QROSGCPLSA-N 0 0 206.289 2.151 10 30 BEEERN C#CCOC(=O)C[C@H]1CCOc2ccccc21 ZINC000117996223 589146239 /nfs/dbraw/zinc/14/62/39/589146239.db2.gz IWOKNOWRUOOYJK-LLVKDONJSA-N 0 0 230.263 2.119 10 30 BEEERN C#CCOC(=O)/C=C/c1ccnc2ccccc12 ZINC000117998007 589146258 /nfs/dbraw/zinc/14/62/58/589146258.db2.gz SEMVFAKYRXDTGF-BQYQJAHWSA-N 0 0 237.258 2.424 10 30 BEEERN C#C[C@H](C)OC(=O)C[C@H](C)c1ccncc1 ZINC000119635192 589315569 /nfs/dbraw/zinc/31/55/69/589315569.db2.gz GUTPRPNOYKCVGV-QWRGUYRKSA-N 0 0 217.268 2.140 10 30 BEEERN C#CCCCCC(=O)N(C)c1cccnc1OC ZINC000120187527 589390629 /nfs/dbraw/zinc/39/06/29/589390629.db2.gz DTEKCPUUTFVYFO-UHFFFAOYSA-N 0 0 246.310 2.247 10 30 BEEERN C#C[C@@H](C)OC(=O)c1cc(C)c(CC)o1 ZINC000121052245 589492295 /nfs/dbraw/zinc/49/22/95/589492295.db2.gz RPTCTTYOIKVGOJ-SECBINFHSA-N 0 0 206.241 2.329 10 30 BEEERN CC(C)[C@@H](C#N)OC(=O)/C=C/c1cccnc1 ZINC000122329316 589581493 /nfs/dbraw/zinc/58/14/93/589581493.db2.gz FWFKAOYCRFTLSK-BTDICHCPSA-N 0 0 230.267 2.186 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)OCC#Cc2ccccc2)O1 ZINC000122631592 589611082 /nfs/dbraw/zinc/61/10/82/589611082.db2.gz YTAVVCSRIYFPEF-OCCSQVGLSA-N 0 0 244.290 2.149 10 30 BEEERN C#CCN(C(=O)NCCC1CC1)C1CCCC1 ZINC000123056218 589657835 /nfs/dbraw/zinc/65/78/35/589657835.db2.gz KDAZZBAWIMIJNJ-UHFFFAOYSA-N 0 0 234.343 2.374 10 30 BEEERN O=C(Cc1ccoc1)OCC#Cc1ccccc1 ZINC000124288182 589973703 /nfs/dbraw/zinc/97/37/03/589973703.db2.gz SDGMZASGLWOJES-UHFFFAOYSA-N 0 0 240.258 2.417 10 30 BEEERN C/C(=C/C(=O)N[C@H](C)C#N)c1ccccc1 ZINC000125140157 590126291 /nfs/dbraw/zinc/12/62/91/590126291.db2.gz NDLKNFNUARDGNL-HIJJYWJESA-N 0 0 214.268 2.118 10 30 BEEERN C#CCOC(=O)c1cc(CC)c(CC)o1 ZINC000126900033 590492502 /nfs/dbraw/zinc/49/25/02/590492502.db2.gz UEKODABWDWBOAQ-UHFFFAOYSA-N 0 0 206.241 2.194 10 30 BEEERN C#C[C@H](C)OC(=O)CC1CCC(OC)CC1 ZINC000129161231 591266517 /nfs/dbraw/zinc/26/65/17/591266517.db2.gz DTNHDJOZPJCQOV-UNXYVOJBSA-N 0 0 224.300 2.147 10 30 BEEERN CCC(=CC(=O)N[C@@H](C#N)C1CC1)CC ZINC000129286030 591276001 /nfs/dbraw/zinc/27/60/01/591276001.db2.gz NMLFBTNTTJAXNR-NSHDSACASA-N 0 0 206.289 2.151 10 30 BEEERN C/C(=C/C(=O)NC1(C#N)CCCC1)C1CC1 ZINC000130115967 591438032 /nfs/dbraw/zinc/43/80/32/591438032.db2.gz IPXBPIDBNPOMJK-NTMALXAHSA-N 0 0 218.300 2.295 10 30 BEEERN CCCCOCC(=O)O[C@H](C)C(C)(C)C#N ZINC000130579372 591484299 /nfs/dbraw/zinc/48/42/99/591484299.db2.gz SBHAHNIHBRCTBK-SNVBAGLBSA-N 0 0 227.304 2.285 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NCc1ccoc1 ZINC000130656503 591494788 /nfs/dbraw/zinc/49/47/88/591494788.db2.gz FBIHXLYPZISUGO-NWDGAFQWSA-N 0 0 204.273 2.452 10 30 BEEERN C[C@H](OC(=O)c1ccco1)C(C)(C)C#N ZINC000130851581 591530202 /nfs/dbraw/zinc/53/02/02/591530202.db2.gz ISWLJXUJENZMJW-QMMMGPOBSA-N 0 0 207.229 2.375 10 30 BEEERN CSCCCC(=O)[C@H](C#N)c1ccccn1 ZINC000130983171 591539992 /nfs/dbraw/zinc/53/99/92/591539992.db2.gz PYQPMXBKEBGGRK-SNVBAGLBSA-N 0 0 234.324 2.401 10 30 BEEERN C[C@H](OC(=O)c1cccn1C)C(C)(C)C#N ZINC000131418981 591607764 /nfs/dbraw/zinc/60/77/64/591607764.db2.gz VZYKOKCONKVDSU-VIFPVBQESA-N 0 0 220.272 2.120 10 30 BEEERN C[C@@H](OC(=O)CC[C@H]1CCOC1)C(C)(C)C#N ZINC000131463034 591610231 /nfs/dbraw/zinc/61/02/31/591610231.db2.gz GOEOISDLAQVXNI-MNOVXSKESA-N 0 0 239.315 2.285 10 30 BEEERN C=CCOCCCC(=O)O[C@@H](C)C(C)(C)C#N ZINC000131614332 591629402 /nfs/dbraw/zinc/62/94/02/591629402.db2.gz KEKBVBIRRBWEIJ-NSHDSACASA-N 0 0 239.315 2.451 10 30 BEEERN COC[C@@H](OC(=O)c1ccc(C#N)cc1)C1CC1 ZINC000131775711 591653948 /nfs/dbraw/zinc/65/39/48/591653948.db2.gz KACWLSRQMPNICX-CYBMUJFWSA-N 0 0 245.278 2.140 10 30 BEEERN C#CC[C@H](OC(=O)/C=C/c1cccnc1)C1CC1 ZINC000132615452 591724038 /nfs/dbraw/zinc/72/40/38/591724038.db2.gz LJFANAADJSETNI-MRZGDXHCSA-N 0 0 241.290 2.440 10 30 BEEERN C=C(COc1ccc(C#N)c(F)c1)C(=O)OCC ZINC000133940491 591869961 /nfs/dbraw/zinc/86/99/61/591869961.db2.gz HBTGQZXFBUAKHM-UHFFFAOYSA-N 0 0 249.241 2.195 10 30 BEEERN C#C[C@H](OC(=O)Cc1cccc(OC)c1)C1CC1 ZINC000133928363 591870171 /nfs/dbraw/zinc/87/01/71/591870171.db2.gz HOEBYFOXDPXMCY-AWEZNQCLSA-N 0 0 244.290 2.193 10 30 BEEERN C#C[C@H](OC(=O)CC1CCSCC1)C1CC1 ZINC000134029882 591874628 /nfs/dbraw/zinc/87/46/28/591874628.db2.gz JNYHPEOSENGUEO-LBPRGKRZSA-N 0 0 238.352 2.475 10 30 BEEERN C#C[C@H](OC(=O)COC1CCCCC1)C1CC1 ZINC000134161624 591897110 /nfs/dbraw/zinc/89/71/10/591897110.db2.gz NRTIEAKVZCZJKL-ZDUSSCGKSA-N 0 0 236.311 2.291 10 30 BEEERN C#C[C@H](C)OC(=O)[C@@H](C)Sc1ccccn1 ZINC000135200953 591997249 /nfs/dbraw/zinc/99/72/49/591997249.db2.gz JYYFLRQYLYNGGW-VHSXEESVSA-N 0 0 235.308 2.127 10 30 BEEERN CN(CCC[C@H]1CO1)C(=O)OC(C)(C)C ZINC000137693038 592212345 /nfs/dbraw/zinc/21/23/45/592212345.db2.gz DNACUGFUHHLHTJ-VIFPVBQESA-N 0 0 215.293 2.032 10 30 BEEERN CN(CCC[C@@H]1CO1)C(=O)OC(C)(C)C ZINC000137692943 592212437 /nfs/dbraw/zinc/21/24/37/592212437.db2.gz DNACUGFUHHLHTJ-SECBINFHSA-N 0 0 215.293 2.032 10 30 BEEERN C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)C#N ZINC000176222163 631656285 /nfs/dbraw/zinc/65/62/85/631656285.db2.gz JQCBWMOBAFLFDT-TTZKWOQHSA-N 0 0 232.258 2.257 10 30 BEEERN N#C[C@H]1CCC[C@H]1Nc1cncc(Cl)n1 ZINC000308879024 632068340 /nfs/dbraw/zinc/06/83/40/632068340.db2.gz PBJXTSSAWFUVSF-HTQZYQBOSA-N 0 0 222.679 2.234 10 30 BEEERN N#CCCNC(=O)c1cccc2ccccc21 ZINC000048151731 635810938 /nfs/dbraw/zinc/81/09/38/635810938.db2.gz VCPWTJCZYKRXDF-UHFFFAOYSA-N 0 0 224.263 2.483 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1ccc(F)nc1 ZINC000309548078 632480227 /nfs/dbraw/zinc/48/02/27/632480227.db2.gz DZAFRBXEGSVYIS-GHMZBOCLSA-N 0 0 219.263 2.003 10 30 BEEERN N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000158764204 632485688 /nfs/dbraw/zinc/48/56/88/632485688.db2.gz LDMBZHJBXCYIPK-JOYOIKCWSA-N 0 0 234.274 2.313 10 30 BEEERN 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N#C[C@H]1CCC[C@H]1NC(=O)c1ccnc(Cl)c1 ZINC000061890246 641004914 /nfs/dbraw/zinc/00/49/14/641004914.db2.gz KOQPKSCOOUWXNL-NXEZZACHSA-N 0 0 249.701 2.157 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)n1 ZINC000061890321 641005363 /nfs/dbraw/zinc/00/53/63/641005363.db2.gz QIDKTPCPDFUOAE-IUCAKERBSA-N 0 0 249.701 2.157 10 30 BEEERN COC1CC(Nc2ccc(C#N)cc2F)C1 ZINC000230598789 641072208 /nfs/dbraw/zinc/07/22/08/641072208.db2.gz UKQJFOLRDUWTJX-UHFFFAOYSA-N 0 0 220.247 2.287 10 30 BEEERN C=C(Cl)CN[C@H](C)c1ncc(C)o1 ZINC000231742438 641201567 /nfs/dbraw/zinc/20/15/67/641201567.db2.gz ATZPAYFPGUBTAS-MRVPVSSYSA-N 0 0 200.669 2.386 10 30 BEEERN C#C[C@H](C)OC(=O)c1ccc(CC)cc1 ZINC000032176608 641759673 /nfs/dbraw/zinc/75/96/73/641759673.db2.gz NUHIVOBFSLBHKA-JTQLQIEISA-N 0 0 202.253 2.428 10 30 BEEERN CCCCCCCC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000191867735 641949528 /nfs/dbraw/zinc/94/95/28/641949528.db2.gz VCCUHFACTLQJDJ-OLZOCXBDSA-N 0 0 241.375 2.434 10 30 BEEERN Cc1nn(C)c(NC2CCCCC2)c1C#N 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/nfs/dbraw/zinc/47/69/47/712476947.db2.gz MKVYJWDFFKRPIK-UHFFFAOYSA-N 0 0 231.299 2.099 10 30 BEEERN C#CCN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(C)(C)C ZINC000723031126 711496302 /nfs/dbraw/zinc/49/63/02/711496302.db2.gz XPOPQFVCXLTZCL-ZSBIGDGJSA-N 0 0 219.328 2.293 10 30 BEEERN CCC1CC(=O)C(=CN[C@H](C)C(C)C)C(=O)C1 ZINC000194960864 711711837 /nfs/dbraw/zinc/71/18/37/711711837.db2.gz DREODVUVIXWMHN-NFJWQWPMSA-N 0 0 237.343 2.463 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1ccco1 ZINC000700875085 712009102 /nfs/dbraw/zinc/00/91/02/712009102.db2.gz RESDFRSFANRRER-UJYRLZNBSA-N 0 0 230.267 2.101 10 30 BEEERN CCCCCCCC(=O)N1CC=CCN1 ZINC000705199808 712126381 /nfs/dbraw/zinc/12/63/81/712126381.db2.gz AHUBUZBOBQLQDE-UHFFFAOYSA-N 0 0 210.321 2.250 10 30 BEEERN CSC1CC(Nc2cccnc2C#N)C1 ZINC000708273102 712185034 /nfs/dbraw/zinc/18/50/34/712185034.db2.gz IIPXBVVIOLEIQI-UHFFFAOYSA-N 0 0 219.313 2.259 10 30 BEEERN CCCCCCCNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000713075066 712452025 /nfs/dbraw/zinc/45/20/25/712452025.db2.gz CJMZJKTVDNCFEL-JTQLQIEISA-N 0 0 248.317 2.070 10 30 BEEERN C#CC[C@H](COC)Nc1nccnc1C(C)C ZINC000716397005 712558001 /nfs/dbraw/zinc/55/80/01/712558001.db2.gz AZETVOOYINSAIC-LLVKDONJSA-N 0 0 233.315 2.050 10 30 BEEERN Cc1cc(C#N)ccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000037732800 712752575 /nfs/dbraw/zinc/75/25/75/712752575.db2.gz JXHMCTPMXBBKNL-RYUDHWBXSA-N 0 0 230.311 2.480 10 30 BEEERN CCC[N+](CCC)(CCC)CC(=O)[O-] ZINC000034583454 717124615 /nfs/dbraw/zinc/12/46/15/717124615.db2.gz MZAVUTOHIPRQTE-UHFFFAOYSA-O 0 0 202.318 2.118 10 30 BEEERN COc1cccc(COC(=O)[C@@H](C)CC#N)c1 ZINC000049822741 1165879497 /nfs/dbraw/zinc/87/94/97/1165879497.db2.gz JCXLENPNTMHKJW-JTQLQIEISA-N 0 0 233.267 2.288 10 30 BEEERN C=CCC1([NH2+]CCCC(=O)[O-])CCCC1 ZINC000700724092 954872340 /nfs/dbraw/zinc/87/23/40/954872340.db2.gz JDIIYZRKDHPBLY-UHFFFAOYSA-N 0 0 211.305 2.330 10 30 BEEERN N#CC1(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])CC1 ZINC000709472252 955009629 /nfs/dbraw/zinc/00/96/29/955009629.db2.gz OXNDLDKKBCCFDB-NSHDSACASA-N 0 0 236.315 2.009 10 30 BEEERN C#C[C@@H](C)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000588512787 958878455 /nfs/dbraw/zinc/87/84/55/958878455.db2.gz JZHBVWWTBQTEJP-DOGVGXBMSA-N 0 0 231.270 2.367 10 30 BEEERN C=C[C@@H](C)OC(=O)c1ccc(C=NOC)cc1 ZINC000588539767 959015452 /nfs/dbraw/zinc/01/54/52/959015452.db2.gz OOXKXBUAIVQOGP-SNVBAGLBSA-N 0 0 233.267 2.398 10 30 BEEERN C#CCCCCCOC(=O)/C=C\c1ccncn1 ZINC000588539703 959015874 /nfs/dbraw/zinc/01/58/74/959015874.db2.gz MXOSAIFODAZIRX-FPLPWBNLSA-N 0 0 244.294 2.227 10 30 BEEERN O=C1/C(=C/c2cocn2)CC/C1=C\c1cocn1 ZINC000588578358 959329097 /nfs/dbraw/zinc/32/90/97/959329097.db2.gz NVCKBNNHTBAFEL-LQIBPGRFSA-N 0 0 242.234 2.493 10 30 BEEERN O=C1c2cccc(F)c2OC/C1=C/c1cocn1 ZINC000588578540 960102969 /nfs/dbraw/zinc/10/29/69/960102969.db2.gz MWMNTBDCYSVPMI-YWEYNIOJSA-N 0 0 245.209 2.472 10 30 BEEERN C[C@@H](Cc1ccsc1)Nc1nnccc1C#N ZINC000123289444 961204917 /nfs/dbraw/zinc/20/49/17/961204917.db2.gz VLTVTZQMJKVWEW-VIFPVBQESA-N 0 0 244.323 2.453 10 30 BEEERN N#CCCC[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692457156 976489616 /nfs/dbraw/zinc/48/96/16/976489616.db2.gz ZROUKILBZQONHT-UHFFFAOYSA-N 0 0 246.310 2.267 10 30 BEEERN C[C@@H](CCC#N)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000695693018 976801439 /nfs/dbraw/zinc/80/14/39/976801439.db2.gz XSZYBSAGVKNFEM-NWDGAFQWSA-N 0 0 238.331 2.255 10 30 BEEERN C=CC(C)(C)CC[NH2+][C@@H](C(=O)[O-])C1CC1 ZINC000701882259 977050973 /nfs/dbraw/zinc/05/09/73/977050973.db2.gz CVXXMPHIGCEFHX-SNVBAGLBSA-N 0 0 211.305 2.042 10 30 BEEERN C#C[C@@H]([NH2+]Cc1ccoc1C(=O)[O-])C(C)(C)C ZINC000702278793 977075797 /nfs/dbraw/zinc/07/57/97/977075797.db2.gz YCLNEZOUKDOMAR-SNVBAGLBSA-N 0 0 235.283 2.115 10 30 BEEERN N#C[C@H]1CCCN(Cc2ccccc2C(=O)[O-])C1 ZINC000703633929 977172623 /nfs/dbraw/zinc/17/26/23/977172623.db2.gz KFLQMFDNEXIPCZ-LLVKDONJSA-N 0 0 244.294 2.120 10 30 BEEERN C=CCN(CC=C)C(=O)c1cc(F)ccc1N ZINC000036720251 1170916257 /nfs/dbraw/zinc/91/62/57/1170916257.db2.gz YVFIHEIDAMBZIK-UHFFFAOYSA-N 0 0 234.274 2.222 10 30 BEEERN CCOc1cccc(CN[C@H](C)CC#N)c1 ZINC000037871532 1170986366 /nfs/dbraw/zinc/98/63/66/1170986366.db2.gz MPCSLQQOWSQJBX-LLVKDONJSA-N 0 0 218.300 2.477 10 30 BEEERN COc1ccc(CN[C@@H](C)CC#N)cc1OC ZINC000037871475 1170987447 /nfs/dbraw/zinc/98/74/47/1170987447.db2.gz CVUPAAOMFBWSJJ-JTQLQIEISA-N 0 0 234.299 2.096 10 30 BEEERN CCc1cnc(C#CC(=O)OC(C)(C)C)s1 ZINC000685953622 538898092 /nfs/dbraw/zinc/89/80/92/538898092.db2.gz NQVGAWFXKMWKBM-UHFFFAOYSA-N 0 0 237.324 2.399 10 30 BEEERN C/C=C/C(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC000685959284 538906857 /nfs/dbraw/zinc/90/68/57/538906857.db2.gz QOYDDWGYXFZOLY-AATRIKPKSA-N 0 0 239.315 2.437 10 30 BEEERN CC(C)C(=O)C(=N)[C@H](C)OCc1ccccc1 ZINC000685962012 538908925 /nfs/dbraw/zinc/90/89/25/538908925.db2.gz QZBXCDZITDBXPL-AAEUAGOBSA-N 0 0 233.311 2.064 10 30 BEEERN C=CCC(=O)[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685962073 538909225 /nfs/dbraw/zinc/90/92/25/538909225.db2.gz SSIMQXZBTNDYLH-VHSXEESVSA-N 0 0 239.315 2.292 10 30 BEEERN C=C(C)C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C ZINC000685962221 538909227 /nfs/dbraw/zinc/90/92/27/538909227.db2.gz ZARPZYLYKLIQIX-UWVGGRQHSA-N 0 0 239.315 2.292 10 30 BEEERN CC#CCCNC(=O)C1=CC(=S)CS1 ZINC000232457848 398181802 /nfs/dbraw/zinc/18/18/02/398181802.db2.gz CWADJDOCAKUJMC-UHFFFAOYSA-N 0 0 225.338 2.180 10 30 BEEERN C#CCNCc1cscc1Br ZINC000306314548 398164499 /nfs/dbraw/zinc/16/44/99/398164499.db2.gz YZLFLJWMVBEFDC-UHFFFAOYSA-N 0 0 230.130 2.233 10 30 BEEERN Cc1cc(Cl)cn2cc(CC#N)nc12 ZINC000082693528 178070699 /nfs/dbraw/zinc/07/06/99/178070699.db2.gz OZAXUDMEAHHCJU-UHFFFAOYSA-N 0 0 205.648 2.362 10 30 BEEERN N#Cc1cc(Br)c(OC(F)F)cn1 ZINC000306818419 398206867 /nfs/dbraw/zinc/20/68/67/398206867.db2.gz FMZIDORYEGZKTH-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN Cc1cc(NC(=O)[C@@H](C#N)c2ccccc2)on1 ZINC000061613966 178143305 /nfs/dbraw/zinc/14/33/05/178143305.db2.gz MIWPDYXZVOVIQE-NSHDSACASA-N 0 0 241.250 2.229 10 30 BEEERN O=CCCSc1ccc2c(c1)OCCO2 ZINC000019686181 538926866 /nfs/dbraw/zinc/92/68/66/538926866.db2.gz IKHSXIBYBPWZBZ-UHFFFAOYSA-N 0 0 224.281 2.139 10 30 BEEERN Cc1cc(NCC(F)F)c(C#N)c(C)n1 ZINC000129415661 178157355 /nfs/dbraw/zinc/15/73/55/178157355.db2.gz UVSZRRVLSDXSLO-UHFFFAOYSA-N 0 0 211.215 2.247 10 30 BEEERN Cc1cc(NC[C@H](C)C[C@H](C)O)c(C#N)c(C)n1 ZINC000301796742 178169083 /nfs/dbraw/zinc/16/90/83/178169083.db2.gz TZUUAONWYRAJRB-KOLCDFICSA-N 0 0 247.342 2.389 10 30 BEEERN Cc1cc(N[C@@H]2C[C@@H](O)C2(C)C)c(C#N)c(C)n1 ZINC000128767136 178183875 /nfs/dbraw/zinc/18/38/75/178183875.db2.gz HNBKRAFUQMQIOG-CHWSQXEVSA-N 0 0 245.326 2.141 10 30 BEEERN CCSc1sc(C#N)c(N)c1C#N ZINC000139322011 361740806 /nfs/dbraw/zinc/74/08/06/361740806.db2.gz FEUPKFUIUBIFAR-UHFFFAOYSA-N 0 0 209.299 2.186 10 30 BEEERN Cc1cc(Sc2ccc(N)cc2C#N)n(C)n1 ZINC000052308486 178219768 /nfs/dbraw/zinc/21/97/68/178219768.db2.gz PFFJYIHJYSOBDF-UHFFFAOYSA-N 0 0 244.323 2.334 10 30 BEEERN COC(=O)C#Cc1cc2c(s1)CCCC2 ZINC000070835220 361778319 /nfs/dbraw/zinc/77/83/19/361778319.db2.gz IECKUSWAFWEIQH-UHFFFAOYSA-N 0 0 220.293 2.151 10 30 BEEERN COC(=O)C#CC(C)(C)c1ccccc1 ZINC000070835247 361779090 /nfs/dbraw/zinc/77/90/90/361779090.db2.gz RFCOTNXVOZALBB-UHFFFAOYSA-N 0 0 202.253 2.141 10 30 BEEERN CCOC(=O)[C@@H]1O[C@]1(C)CCCC(F)(F)F ZINC000166775176 538939556 /nfs/dbraw/zinc/93/95/56/538939556.db2.gz BOFSPMWGOVESOL-IONNQARKSA-N 0 0 240.221 2.440 10 30 BEEERN Cc1cc([N+](=O)[O-])ccc1N(C)CCC#N ZINC000036950003 178271107 /nfs/dbraw/zinc/27/11/07/178271107.db2.gz YICISBIQNHPTGJ-UHFFFAOYSA-N 0 0 219.244 2.253 10 30 BEEERN Cc1cc2nc(C#N)cn2cc1Br ZINC000036226535 178299850 /nfs/dbraw/zinc/29/98/50/178299850.db2.gz WOGNIWRYCZXJOS-UHFFFAOYSA-N 0 0 236.072 2.277 10 30 BEEERN CCCCCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232974749 136230159 /nfs/dbraw/zinc/23/01/59/136230159.db2.gz FANBQZHCIAVPCF-UHFFFAOYSA-N 0 0 234.259 2.464 10 30 BEEERN CCC(CC)N(C)c1ccccc1/C(N)=N/O ZINC000036789152 168369608 /nfs/dbraw/zinc/36/96/08/168369608.db2.gz GQMIPCZLRQIUMI-UHFFFAOYSA-N 0 0 235.331 2.406 10 30 BEEERN Cc1ccc(C#N)cc1N[C@@H]1CCC[C@@H]1O ZINC000050430282 178367640 /nfs/dbraw/zinc/36/76/40/178367640.db2.gz KMRKNPFECVXIFM-YPMHNXCESA-N 0 0 216.284 2.192 10 30 BEEERN Cc1ccc(C#N)c(NC[C@@H]2CCOC2)c1 ZINC000051579455 178364711 /nfs/dbraw/zinc/36/47/11/178364711.db2.gz OSIKABNDXAZAAA-NSHDSACASA-N 0 0 216.284 2.315 10 30 BEEERN Cc1ccc(C#N)c(NC[C@H]2CCOC2)c1 ZINC000051579456 178365027 /nfs/dbraw/zinc/36/50/27/178365027.db2.gz OSIKABNDXAZAAA-LLVKDONJSA-N 0 0 216.284 2.315 10 30 BEEERN Cc1ccc(C#N)cc1NCCCC(=O)N(C)C ZINC000050430118 178366991 /nfs/dbraw/zinc/36/69/91/178366991.db2.gz ZEYZBPZXTWIAAX-UHFFFAOYSA-N 0 0 245.326 2.147 10 30 BEEERN Cc1ccc(C#N)cc1NC[C@@H]1CCOC1 ZINC000050429515 178367131 /nfs/dbraw/zinc/36/71/31/178367131.db2.gz UPDNUHLLNHBWBV-LBPRGKRZSA-N 0 0 216.284 2.315 10 30 BEEERN Cc1ccc(C(=O)N(CCC#N)C2CC2)cc1N ZINC000038099463 178382356 /nfs/dbraw/zinc/38/23/56/178382356.db2.gz IEVFNUCUDIAUTH-UHFFFAOYSA-N 0 0 243.310 2.096 10 30 BEEERN CC(C)(C)/C(CSc1cccc[n+]1[O-])=N/O ZINC000000159526 342678074 /nfs/dbraw/zinc/67/80/74/342678074.db2.gz QMLXRBZDLPJECC-FMIVXFBMSA-N 0 0 240.328 2.288 10 30 BEEERN C=CC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000405531852 538960234 /nfs/dbraw/zinc/96/02/34/538960234.db2.gz UYYGZSWLKNQSEP-CYBMUJFWSA-N 0 0 239.315 2.389 10 30 BEEERN C=CC(=O)[C@](C)(NC(=O)OC(C)(C)C)C1CC1 ZINC000405633396 538960674 /nfs/dbraw/zinc/96/06/74/538960674.db2.gz KNCFBIFAHONVIL-CYBMUJFWSA-N 0 0 239.315 2.435 10 30 BEEERN O=C1C=CC(=O)C1=C/C=C/c1ccccc1 ZINC000001561045 342702837 /nfs/dbraw/zinc/70/28/37/342702837.db2.gz GUDSEMWIKBPDPM-QPJJXVBHSA-N 0 0 210.232 2.334 10 30 BEEERN C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)C1CC1 ZINC000405946853 538962025 /nfs/dbraw/zinc/96/20/25/538962025.db2.gz YKLJAIAHALECTL-SNVBAGLBSA-N 0 0 239.315 2.435 10 30 BEEERN C#CCC(=O)[C@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406021865 538962126 /nfs/dbraw/zinc/96/21/26/538962126.db2.gz FEBIIJDFFJYIBR-QWRGUYRKSA-N 0 0 249.310 2.048 10 30 BEEERN Cc1ccc(SCCCC(=O)NO)cc1 ZINC000145969231 342764524 /nfs/dbraw/zinc/76/45/24/342764524.db2.gz ZCPZAOHXJJKUPD-UHFFFAOYSA-N 0 0 225.313 2.373 10 30 BEEERN COC(=O)c1cccc(C#CC(C)(C)C)n1 ZINC000585143909 398283447 /nfs/dbraw/zinc/28/34/47/398283447.db2.gz SIFNJUKQBSYHQQ-UHFFFAOYSA-N 0 0 217.268 2.266 10 30 BEEERN c1ccc2c(c1)nccc2OC[C@H]1CO1 ZINC000148401799 342791082 /nfs/dbraw/zinc/79/10/82/342791082.db2.gz PXKDVPDQJFUYFG-SECBINFHSA-N 0 0 201.225 2.012 10 30 BEEERN Cc1ccc(C(=O)OC(C)(C)C#N)cc1 ZINC000003076704 178442842 /nfs/dbraw/zinc/44/28/42/178442842.db2.gz LRIGRRHDXDFRDG-UHFFFAOYSA-N 0 0 203.241 2.454 10 30 BEEERN C#C[C@@H](NN)c1ccc(Cl)cc1Cl ZINC000097748866 342835901 /nfs/dbraw/zinc/83/59/01/342835901.db2.gz NSDQXKCVZSEJJT-SECBINFHSA-N 0 0 215.083 2.131 10 30 BEEERN C=CCc1c(O)c(C(C)=O)ccc1OC(C)=O ZINC000217612437 342865503 /nfs/dbraw/zinc/86/55/03/342865503.db2.gz FRWVTEZAYVUKJV-UHFFFAOYSA-N 0 0 234.251 2.249 10 30 BEEERN N#Cc1ccc(C(=O)C(F)(F)F)cc1F ZINC000308779046 342870751 /nfs/dbraw/zinc/87/07/51/342870751.db2.gz BUQOIWMKHCXMRQ-UHFFFAOYSA-N 0 0 217.121 2.442 10 30 BEEERN C/C=C\C(=O)c1ccc2c(c1)OCCO2 ZINC000308782248 342871380 /nfs/dbraw/zinc/87/13/80/342871380.db2.gz XDHXWTAZTRXLRQ-IHWYPQMZSA-N 0 0 204.225 2.217 10 30 BEEERN C/C=C/C(=O)c1ccc(C(=O)OCC)o1 ZINC000308808623 342872190 /nfs/dbraw/zinc/87/21/90/342872190.db2.gz PMZQRWAXCNUEJW-HWKANZROSA-N 0 0 208.213 2.215 10 30 BEEERN C/C=C\C(=O)c1ccccc1OC(C)=O ZINC000308817330 342873410 /nfs/dbraw/zinc/87/34/10/342873410.db2.gz WCDKDNPKTGPTER-UTCJRWHESA-N 0 0 204.225 2.371 10 30 BEEERN CC(=O)/C=C/C1=C(C)[C@H]2CC[C@@H](C)[C@H]2[C@@H](O)O1 ZINC000015266091 342893797 /nfs/dbraw/zinc/89/37/97/342893797.db2.gz SSFLZIBVARYADM-TVPGWTPVSA-N 0 0 236.311 2.417 10 30 BEEERN C#C[C@@H]([NH3+])c1cc(Br)ccc1F ZINC000165320934 342906877 /nfs/dbraw/zinc/90/68/77/342906877.db2.gz WQZDMZDJKXHEIY-SECBINFHSA-N 0 0 228.064 2.221 10 30 BEEERN C=CCOc1cc(Cl)nnc1Cl ZINC000127114475 342912081 /nfs/dbraw/zinc/91/20/81/342912081.db2.gz TVEFFEYADPOIHQ-UHFFFAOYSA-N 0 0 205.044 2.348 10 30 BEEERN N#Cc1cccc(C#Cc2cncc(C=O)c2)c1 ZINC000116289689 342923252 /nfs/dbraw/zinc/92/32/52/342923252.db2.gz XOFHWEMJNNJNCO-UHFFFAOYSA-N 0 0 232.242 2.166 10 30 BEEERN Cc1ccc(CCC(=O)NC(C)(C)C#N)cc1 ZINC000048347669 342990235 /nfs/dbraw/zinc/99/02/35/342990235.db2.gz GRJALYWYMMPUGX-UHFFFAOYSA-N 0 0 230.311 2.346 10 30 BEEERN Cc1ccc(C)c(Cc2noc(CC#N)n2)c1 ZINC000073641240 178478088 /nfs/dbraw/zinc/47/80/88/178478088.db2.gz IWYGJUYGSAZLMB-UHFFFAOYSA-N 0 0 227.267 2.343 10 30 BEEERN COCCC[C@@]1(CC#N)Cc2ccncc2C1=O ZINC000036421679 342995091 /nfs/dbraw/zinc/99/50/91/342995091.db2.gz AUYGGWBTYRDXQK-CQSZACIVSA-N 0 0 244.294 2.147 10 30 BEEERN CCC(F)(F)CN[C@H]1CCC[C@@H]1C#N ZINC000602829255 349766273 /nfs/dbraw/zinc/76/62/73/349766273.db2.gz HQOCYOMMBCFFFS-BDAKNGLRSA-N 0 0 202.248 2.314 10 30 BEEERN N#Cc1cc2c(nc1Cl)CCSC2 ZINC000043404759 343065004 /nfs/dbraw/zinc/06/50/04/343065004.db2.gz VOBZPAJHRUVIOH-UHFFFAOYSA-N 0 0 210.689 2.396 10 30 BEEERN COC(=O)CCCC#Cc1ccccc1 ZINC000140061777 343070209 /nfs/dbraw/zinc/07/02/09/343070209.db2.gz MVVZLGGCGWWRLU-UHFFFAOYSA-N 0 0 202.253 2.381 10 30 BEEERN CC[C@H](Nc1cncc(C#N)n1)C(C)C ZINC000401328970 529679854 /nfs/dbraw/zinc/67/98/54/529679854.db2.gz MITLSOGPPNLMOX-JTQLQIEISA-N 0 0 204.277 2.195 10 30 BEEERN CCN(CC)OC(=O)c1cccc(C)c1 ZINC000082075141 343120324 /nfs/dbraw/zinc/12/03/24/343120324.db2.gz LIBCTNBWHIVNBK-UHFFFAOYSA-N 0 0 207.273 2.409 10 30 BEEERN CC(C)(CC=O)C(=O)OCc1ccccc1 ZINC000118172152 343120681 /nfs/dbraw/zinc/12/06/81/343120681.db2.gz XAJZKXGGSBYQCT-UHFFFAOYSA-N 0 0 220.268 2.345 10 30 BEEERN O/N=C(/c1nccs1)c1ccccc1 ZINC000117764033 343120923 /nfs/dbraw/zinc/12/09/23/343120923.db2.gz LDHLUFAAZKZTDE-FMIVXFBMSA-N 0 0 204.254 2.370 10 30 BEEERN C[C@H](C#N)Oc1ccc(C=O)cc1Cl ZINC000043516138 343116059 /nfs/dbraw/zinc/11/60/59/343116059.db2.gz XDHFFZOXASDSBW-SSDOTTSWSA-N 0 0 209.632 2.443 10 30 BEEERN C[C@@H](C#N)Oc1cccc(Cl)c1C=O ZINC000043516109 343116092 /nfs/dbraw/zinc/11/60/92/343116092.db2.gz VQCZFEOZABRZFM-ZETCQYMHSA-N 0 0 209.632 2.443 10 30 BEEERN C[C@H](C#N)NCc1ccc(Br)cc1 ZINC000043514572 343116565 /nfs/dbraw/zinc/11/65/65/343116565.db2.gz ACNVMSNDRLGXFH-MRVPVSSYSA-N 0 0 239.116 2.451 10 30 BEEERN C=CCCS(=O)(=O)N[C@@H](C)c1ccc(C)o1 ZINC000119385697 136277115 /nfs/dbraw/zinc/27/71/15/136277115.db2.gz PMMZLVYWVJMIKS-JTQLQIEISA-N 0 0 243.328 2.145 10 30 BEEERN C=CCN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000250537611 343217187 /nfs/dbraw/zinc/21/71/87/343217187.db2.gz ZZARNIKVMSUQFB-JGPRNRPPSA-N 0 0 205.301 2.210 10 30 BEEERN N#Cc1c(N)c(Br)ccc1F ZINC000131875159 259356521 /nfs/dbraw/zinc/35/65/21/259356521.db2.gz ILPWXUZYFTWFRQ-UHFFFAOYSA-N 0 0 215.025 2.042 10 30 BEEERN C=CCN(Cc1csnn1)CC(F)(F)F ZINC000119487144 136277080 /nfs/dbraw/zinc/27/70/80/136277080.db2.gz VKNDJYVBWJWWPB-UHFFFAOYSA-N 0 0 237.250 2.088 10 30 BEEERN C=CCOC(=O)Nc1ccccc1C=O ZINC000238078333 343240360 /nfs/dbraw/zinc/24/03/60/343240360.db2.gz LHPLIIOHUJLNDN-UHFFFAOYSA-N 0 0 205.213 2.234 10 30 BEEERN CC#CCN1CC[C@@H](C(=O)OC)c2ccccc21 ZINC000120539355 136292455 /nfs/dbraw/zinc/29/24/55/136292455.db2.gz XKDIOWBXLNZCLZ-CYBMUJFWSA-N 0 0 243.306 2.177 10 30 BEEERN C=C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000139117475 343276890 /nfs/dbraw/zinc/27/68/90/343276890.db2.gz ZIBOOJFTERHMSH-CYBMUJFWSA-N 0 0 203.285 2.073 10 30 BEEERN C[C@@H](C#N)N1CCC(C(F)(F)F)CC1 ZINC000083879682 136286819 /nfs/dbraw/zinc/28/68/19/136286819.db2.gz UIZBFMCLMYVQHL-ZETCQYMHSA-N 0 0 206.211 2.173 10 30 BEEERN CC(C)[C@H]1CCN(c2ccc(C#N)nc2)C1 ZINC000134988970 343351291 /nfs/dbraw/zinc/35/12/91/343351291.db2.gz XKPUBAPTTIAORZ-NSHDSACASA-N 0 0 215.300 2.436 10 30 BEEERN Cc1nnc(N2CC[C@@H](C(C)C)C2)c(C#N)c1C ZINC000134988296 343352232 /nfs/dbraw/zinc/35/22/32/343352232.db2.gz MOCIOJGKDNHHTF-GFCCVEGCSA-N 0 0 244.342 2.447 10 30 BEEERN N#Cc1c(Cl)cccc1SCCO ZINC000048727853 343424070 /nfs/dbraw/zinc/42/40/70/343424070.db2.gz WDWJUDPKTAHBHO-UHFFFAOYSA-N 0 0 213.689 2.296 10 30 BEEERN C[C@@](N)(C#N)Cc1ccc(Br)cc1 ZINC000041281418 343418393 /nfs/dbraw/zinc/41/83/93/343418393.db2.gz SDMLEHWFXRFIST-JTQLQIEISA-N 0 0 239.116 2.233 10 30 BEEERN C#C[C@H](C)Oc1ncnc(Cl)c1CC ZINC000234132235 343445422 /nfs/dbraw/zinc/44/54/22/343445422.db2.gz WBEJTWZTLYDJFL-ZETCQYMHSA-N 0 0 210.664 2.093 10 30 BEEERN N#Cc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 ZINC000054825632 136373236 /nfs/dbraw/zinc/37/32/36/136373236.db2.gz NEOPADFFDRQYKI-KBPBESRZSA-N 0 0 225.295 2.340 10 30 BEEERN C[Si](C)(C)c1c(F)cc(C#N)cc1F ZINC000202623249 343445125 /nfs/dbraw/zinc/44/51/25/343445125.db2.gz KPDUFJOWVGXNNO-UHFFFAOYSA-N 0 0 211.287 2.382 10 30 BEEERN Cc1ccc2cccc(OCC=O)c2n1 ZINC000043803770 343484881 /nfs/dbraw/zinc/48/48/81/343484881.db2.gz GHLWBTXHBNVZCS-UHFFFAOYSA-N 0 0 201.225 2.121 10 30 BEEERN CN[C@@H](C#N)c1cc(F)ccc1Br ZINC000234394149 343465512 /nfs/dbraw/zinc/46/55/12/343465512.db2.gz PRJSWQNFKDNHQB-VIFPVBQESA-N 0 0 243.079 2.372 10 30 BEEERN Cc1cc(Cl)cc2c1O[C@H](C#N)CN2 ZINC000158995305 346945237 /nfs/dbraw/zinc/94/52/37/346945237.db2.gz VFBRZALKGLEXEC-MRVPVSSYSA-N 0 0 208.648 2.345 10 30 BEEERN N#Cc1cccc(-n2cnc(-c3ccccn3)n2)c1 ZINC000013582345 343580931 /nfs/dbraw/zinc/58/09/31/343580931.db2.gz WTABOJQYURJHSB-UHFFFAOYSA-N 0 0 247.261 2.201 10 30 BEEERN C[C@@H]1C[C@@H]1COc1cccc(N)c1C#N ZINC000114241703 343678304 /nfs/dbraw/zinc/67/83/04/343678304.db2.gz BYKVXVXEAIRQAA-RKDXNWHRSA-N 0 0 202.257 2.175 10 30 BEEERN CN1CCC2=C(Cc3ccccc32)[C@H]1C#N ZINC000214899131 349827846 /nfs/dbraw/zinc/82/78/46/349827846.db2.gz HEUJSLZEIQQVEZ-CQSZACIVSA-N 0 0 210.280 2.224 10 30 BEEERN Cc1ncc(C#C[Si](C)(C)C)cc1N ZINC000205973313 343664653 /nfs/dbraw/zinc/66/46/53/343664653.db2.gz FRPFGTFEQKHDOT-UHFFFAOYSA-N 0 0 204.349 2.201 10 30 BEEERN C#CC[C@H](C)NC(=O)c1ccoc1Cl ZINC000235074389 343730105 /nfs/dbraw/zinc/73/01/05/343730105.db2.gz FDPBNIYDRMTSBB-ZETCQYMHSA-N 0 0 211.648 2.075 10 30 BEEERN N#Cc1cccnc1C#Cc1ccccc1 ZINC000013999052 346967953 /nfs/dbraw/zinc/96/79/53/346967953.db2.gz QAAKRNUQGPIYNY-UHFFFAOYSA-N 0 0 204.232 2.353 10 30 BEEERN C=CCN(CC=C)c1nccnc1Cl ZINC000409427738 343801764 /nfs/dbraw/zinc/80/17/64/343801764.db2.gz KZGKGBMSSISBGK-UHFFFAOYSA-N 0 0 209.680 2.308 10 30 BEEERN CC#C[C@@H](O)c1csc(C(C)(C)C)n1 ZINC000306551368 343843604 /nfs/dbraw/zinc/84/36/04/343843604.db2.gz ALQSPMAATKRXRW-SECBINFHSA-N 0 0 209.314 2.497 10 30 BEEERN N#CCc1cn(CC#N)nc1-c1cccs1 ZINC000409437539 343843804 /nfs/dbraw/zinc/84/38/04/343843804.db2.gz HYWCQIPEBADKAR-UHFFFAOYSA-N 0 0 228.280 2.201 10 30 BEEERN C#CCn1ccn2nc(-c3ccccc3)cc12 ZINC000409438695 343844969 /nfs/dbraw/zinc/84/49/69/343844969.db2.gz NRTRSKUXGPDQNC-UHFFFAOYSA-N 0 0 221.263 2.436 10 30 BEEERN O=CCn1nc(-c2ccccn2)cc1C1CC1 ZINC000409442228 343857294 /nfs/dbraw/zinc/85/72/94/343857294.db2.gz XTLSYZSQEQAPKW-UHFFFAOYSA-N 0 0 227.267 2.021 10 30 BEEERN CCOC(=O)[C@@H]1O[C@@]12CCCC21CCCC1 ZINC000328276387 537828463 /nfs/dbraw/zinc/82/84/63/537828463.db2.gz OPVQTPXRRLOLQB-GWCFXTLKSA-N 0 0 224.300 2.431 10 30 BEEERN CCc1cc(-c2ccccn2)nn1CC#N ZINC000409442375 343857956 /nfs/dbraw/zinc/85/79/56/343857956.db2.gz YYWVPQCLSCFSKA-UHFFFAOYSA-N 0 0 212.256 2.031 10 30 BEEERN CCn1cc(CC#N)c(-c2ccncc2)n1 ZINC000409441464 343859040 /nfs/dbraw/zinc/85/90/40/343859040.db2.gz YELHXOQOHPCMOC-UHFFFAOYSA-N 0 0 212.256 2.031 10 30 BEEERN Cc1[nH]nc(C(F)(F)F)c1CCC#N ZINC000409441411 343859068 /nfs/dbraw/zinc/85/90/68/343859068.db2.gz XQTIKJQFCGXHNT-UHFFFAOYSA-N 0 0 203.167 2.193 10 30 BEEERN C#CCn1nc(-c2ccsc2)cc1CC#N ZINC000409443684 343862314 /nfs/dbraw/zinc/86/23/14/343862314.db2.gz RLZYBMRCFIOAFA-UHFFFAOYSA-N 0 0 227.292 2.311 10 30 BEEERN CCn1nc(-c2cccnc2)cc1CC#N ZINC000409442763 343864612 /nfs/dbraw/zinc/86/46/12/343864612.db2.gz ABSLPGMZMUQNEX-UHFFFAOYSA-N 0 0 212.256 2.031 10 30 BEEERN C#CCn1nc(-c2ccsc2)cc1C=O ZINC000409443059 343865698 /nfs/dbraw/zinc/86/56/98/343865698.db2.gz GFWJVBQWNCALSY-UHFFFAOYSA-N 0 0 216.265 2.057 10 30 BEEERN O=C[C@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000054268645 343884933 /nfs/dbraw/zinc/88/49/33/343884933.db2.gz UHNFOBCEEVEGFT-VIFPVBQESA-N 0 0 224.691 2.150 10 30 BEEERN C=C(C)CN(C)c1nnc(Br)s1 ZINC000307154362 343911199 /nfs/dbraw/zinc/91/11/99/343911199.db2.gz CYWMHIHMELFAKC-UHFFFAOYSA-N 0 0 248.149 2.313 10 30 BEEERN C=C[C@H](C)n1ccc(Br)n1 ZINC000307058650 343902777 /nfs/dbraw/zinc/90/27/77/343902777.db2.gz BULVKWJXPIXTPZ-LURJTMIESA-N 0 0 201.067 2.393 10 30 BEEERN C[C@H](O)c1ccc(OCC#N)c(Cl)c1 ZINC000127174747 343917305 /nfs/dbraw/zinc/91/73/05/343917305.db2.gz SAIKZVGVPGZWQU-ZETCQYMHSA-N 0 0 211.648 2.296 10 30 BEEERN COc1ccc(CC#N)nc1OC(F)(F)F ZINC000393789591 343929051 /nfs/dbraw/zinc/92/90/51/343929051.db2.gz CSYYKJZJDVXSOL-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN C=CCNC(=O)N(CCC)C[C@@H]1CCCCO1 ZINC000106511642 347019499 /nfs/dbraw/zinc/01/94/99/347019499.db2.gz FADOAADQOGLPSS-LBPRGKRZSA-N 0 0 240.347 2.163 10 30 BEEERN C#C[C@@H](NC)c1cccc(Br)c1F ZINC000234449144 343966960 /nfs/dbraw/zinc/96/69/60/343966960.db2.gz XBFKMJDMBXPXRE-SECBINFHSA-N 0 0 242.091 2.482 10 30 BEEERN C[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000313492380 344082895 /nfs/dbraw/zinc/08/28/95/344082895.db2.gz KIVZSVFIWKWQHF-MFKMUULPSA-N 0 0 244.294 2.116 10 30 BEEERN N#Cc1cc(-c2cscn2)ccc1O ZINC000306283665 344099272 /nfs/dbraw/zinc/09/92/72/344099272.db2.gz CHTSHXFZAOCYKB-UHFFFAOYSA-N 0 0 202.238 2.387 10 30 BEEERN CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CCO1 ZINC000251645887 344121898 /nfs/dbraw/zinc/12/18/98/344121898.db2.gz NBUSJKBFWLUPOP-LPWJVIDDSA-N 0 0 222.332 2.226 10 30 BEEERN CC[C@@H](C)[C@@H](C)N=C(NC#N)Nc1ccncc1 ZINC000026576311 344150790 /nfs/dbraw/zinc/15/07/90/344150790.db2.gz XQFFURSERZYVPP-GHMZBOCLSA-N 0 0 245.330 2.355 10 30 BEEERN C#CC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000135349057 344207135 /nfs/dbraw/zinc/20/71/35/344207135.db2.gz ZHIMPHZHPBPSET-UHFFFAOYSA-N 0 0 214.051 2.392 10 30 BEEERN CO[C@@H]1CCC[C@@](Br)(C#N)C1 ZINC000234752742 344246194 /nfs/dbraw/zinc/24/61/94/344246194.db2.gz XFFYJCKXHXBSQJ-SFYZADRCSA-N 0 0 218.094 2.233 10 30 BEEERN C#CC(C)(C)Oc1nnc(Br)s1 ZINC000165955477 344247883 /nfs/dbraw/zinc/24/78/83/344247883.db2.gz FBDIJYBTBJDEKG-UHFFFAOYSA-N 0 0 247.117 2.091 10 30 BEEERN CCOC(=O)/C(=C/c1ccc(F)cc1)[N+](=O)[O-] ZINC000090460815 344269315 /nfs/dbraw/zinc/26/93/15/344269315.db2.gz GMFYKLZCGSHOAL-YFHOEESVSA-N 0 0 239.202 2.006 10 30 BEEERN C=CC(=O)c1cc(N)ccc1Br ZINC000135431242 344270552 /nfs/dbraw/zinc/27/05/52/344270552.db2.gz CJUNNDYLFDHNLQ-UHFFFAOYSA-N 0 0 226.073 2.400 10 30 BEEERN N#CCCc1nc(-c2ccsc2)no1 ZINC000236200259 344315143 /nfs/dbraw/zinc/31/51/43/344315143.db2.gz PYPGTVFHGSVYAV-UHFFFAOYSA-N 0 0 205.242 2.254 10 30 BEEERN CN(C)/C=C\C(=O)c1ccc(F)c(F)c1 ZINC000145625941 344356153 /nfs/dbraw/zinc/35/61/53/344356153.db2.gz LMRJHGLZTUEMNZ-WAYWQWQTSA-N 0 0 211.211 2.223 10 30 BEEERN CCOC(=O)c1cc(C#N)cc(F)c1F ZINC000238304693 344390312 /nfs/dbraw/zinc/39/03/12/344390312.db2.gz HXUFNUBDYUZCEU-UHFFFAOYSA-N 0 0 211.167 2.013 10 30 BEEERN N#Cc1cc(F)c(NC2CC2)nc1Cl ZINC000409424203 344450924 /nfs/dbraw/zinc/45/09/24/344450924.db2.gz FQFCHODYCLHYKC-UHFFFAOYSA-N 0 0 211.627 2.320 10 30 BEEERN CCn1ccn2nc(C3CCC3)c(C#N)c12 ZINC000409440015 344461185 /nfs/dbraw/zinc/46/11/85/344461185.db2.gz VBWSVBYWIFEPTJ-UHFFFAOYSA-N 0 0 214.272 2.295 10 30 BEEERN N#Cc1cc(CCc2ccccc2)ncn1 ZINC000409436489 344462950 /nfs/dbraw/zinc/46/29/50/344462950.db2.gz BIWXBPKBFUKRKI-UHFFFAOYSA-N 0 0 209.252 2.133 10 30 BEEERN N#Cc1cc(Cc2cccs2)ncn1 ZINC000409436733 344463423 /nfs/dbraw/zinc/46/34/23/344463423.db2.gz YSFZXRXMICVQGL-UHFFFAOYSA-N 0 0 201.254 2.001 10 30 BEEERN CCCCOCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054826134 344471737 /nfs/dbraw/zinc/47/17/37/344471737.db2.gz CMZYTALPSGVGEW-OLZOCXBDSA-N 0 0 224.348 2.475 10 30 BEEERN COc1cc(CC#N)c(O)cc1Br ZINC000217114699 344516067 /nfs/dbraw/zinc/51/60/67/344516067.db2.gz BNDSXANQDKQBIV-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN CCC1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC000044825066 344551540 /nfs/dbraw/zinc/55/15/40/344551540.db2.gz KKCPHCWTDLFWHJ-WHXUTIOJSA-N 0 0 208.305 2.231 10 30 BEEERN C=C=CC(=O)c1ccc(C(F)(F)F)cn1 ZINC000158221522 344569840 /nfs/dbraw/zinc/56/98/40/344569840.db2.gz VUJAYQCHLZVBRN-UHFFFAOYSA-N 0 0 213.158 2.306 10 30 BEEERN N#CCc1cc(C(F)(F)F)c([N+](=O)[O-])cn1 ZINC000396124270 344609512 /nfs/dbraw/zinc/60/95/12/344609512.db2.gz ZUUHLTRTHAXEPM-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN N#CCc1cc(C(F)(F)F)cc(F)c1N ZINC000396092071 344599665 /nfs/dbraw/zinc/59/96/65/344599665.db2.gz HHIWFQFSGOQHJW-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN COc1cc(C(F)(F)F)c(CC#N)cn1 ZINC000396101722 344602350 /nfs/dbraw/zinc/60/23/50/344602350.db2.gz HLOFIXUDYKURAX-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN COc1ccnc(CC#N)c1C(F)(F)F ZINC000396102703 344602651 /nfs/dbraw/zinc/60/26/51/344602651.db2.gz IYVRINJFUORFTN-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN COc1ncc(CC#N)cc1C(F)(F)F ZINC000396102802 344602797 /nfs/dbraw/zinc/60/27/97/344602797.db2.gz JKSXZDARXQOKMX-UHFFFAOYSA-N 0 0 216.162 2.175 10 30 BEEERN N#CCc1c(N)cc(F)cc1C(F)(F)F ZINC000396102877 344602863 /nfs/dbraw/zinc/60/28/63/344602863.db2.gz QWVSDKKPQMCAPC-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN N#Cc1cccc(-c2ncsc2N)c1 ZINC000050307957 344670945 /nfs/dbraw/zinc/67/09/45/344670945.db2.gz HHVUPOCKSHISHC-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N#CCc1cc(F)c(OC(F)(F)F)cn1 ZINC000238587799 344619293 /nfs/dbraw/zinc/61/92/93/344619293.db2.gz GRYACYWLRVOAHG-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN C=C(Cl)CNc1cncc(Cl)n1 ZINC000227652818 344727571 /nfs/dbraw/zinc/72/75/71/344727571.db2.gz WRESJLKVQRRBOY-UHFFFAOYSA-N 0 0 204.060 2.294 10 30 BEEERN CSCCNc1nccc(C#N)c1Cl ZINC000235059370 344751519 /nfs/dbraw/zinc/75/15/19/344751519.db2.gz QNADZUWNMWIQKR-UHFFFAOYSA-N 0 0 227.720 2.382 10 30 BEEERN COS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000221364178 344736873 /nfs/dbraw/zinc/73/68/73/344736873.db2.gz GGMRLKJOOHSMNT-UHFFFAOYSA-N 0 0 241.095 2.329 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NC(=O)C1CCCC1 ZINC000259962437 344702299 /nfs/dbraw/zinc/70/22/99/344702299.db2.gz LRHWFANMAZWELJ-NWDGAFQWSA-N 0 0 220.316 2.375 10 30 BEEERN COC(=O)c1cc(OC)c(Cl)cc1C#N ZINC000211897012 344703418 /nfs/dbraw/zinc/70/34/18/344703418.db2.gz RRVADHLUCILFHJ-UHFFFAOYSA-N 0 0 225.631 2.007 10 30 BEEERN CC1(C)CCC[C@H](OS(C)(=O)=O)CC1 ZINC000166201451 344781035 /nfs/dbraw/zinc/78/10/35/344781035.db2.gz FCNZLWFXNWPDCD-VIFPVBQESA-N 0 0 220.334 2.322 10 30 BEEERN C[C@@H](C#N)N1CC[C@@H](c2ccccc2)C1 ZINC000224791037 344834221 /nfs/dbraw/zinc/83/42/21/344834221.db2.gz KHTCOYXDROKQHV-WCQYABFASA-N 0 0 200.285 2.388 10 30 BEEERN CCN(CCC#N)c1cc(F)ccc1N ZINC000052121892 169815992 /nfs/dbraw/zinc/81/59/92/169815992.db2.gz ZZMTZEGCJWIIRV-UHFFFAOYSA-N 0 0 207.252 2.148 10 30 BEEERN C#C[C@@H](C)OCc1cnc(Cl)s1 ZINC000235225161 344849372 /nfs/dbraw/zinc/84/93/72/344849372.db2.gz VBOWSDKFLDBUFI-ZCFIWIBFSA-N 0 0 201.678 2.335 10 30 BEEERN C#C[C@@H](C)Oc1c(F)cc(C=O)cc1F ZINC000235238003 344852766 /nfs/dbraw/zinc/85/27/66/344852766.db2.gz HMFPWCIFSNXHCZ-SSDOTTSWSA-N 0 0 210.179 2.178 10 30 BEEERN C=C(C)Cn1cnc(Cl)c(Cl)c1=O ZINC000166289704 344842816 /nfs/dbraw/zinc/84/28/16/344842816.db2.gz GCEFFSZCMSYIOI-UHFFFAOYSA-N 0 0 219.071 2.126 10 30 BEEERN C[C@@H](S)C(=O)NCc1cccc(Cl)c1 ZINC000235281819 344872649 /nfs/dbraw/zinc/87/26/49/344872649.db2.gz HAYOXLBCIHSWEL-SSDOTTSWSA-N 0 0 229.732 2.275 10 30 BEEERN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)CCS)C1 ZINC000235379925 344898141 /nfs/dbraw/zinc/89/81/41/344898141.db2.gz BQTSXLZPNTYDIP-KXUCPTDWSA-N 0 0 215.362 2.199 10 30 BEEERN C[C@@H]1SCC[C@@]1(C#N)NC1CCCC1 ZINC000235396883 344901880 /nfs/dbraw/zinc/90/18/80/344901880.db2.gz DZHCJMREFURBIG-ONGXEEELSA-N 0 0 210.346 2.306 10 30 BEEERN C[C@H](C#N)[C@H](O)c1occc1Br ZINC000235406951 344904643 /nfs/dbraw/zinc/90/46/43/344904643.db2.gz YKATTZAUAHUASW-VDTYLAMSSA-N 0 0 230.061 2.235 10 30 BEEERN Cc1cnc([C@H](C)Nc2cnccc2C#N)o1 ZINC000235533353 344932659 /nfs/dbraw/zinc/93/26/59/344932659.db2.gz HKKHEOSEDYZBLP-VIFPVBQESA-N 0 0 228.255 2.423 10 30 BEEERN C[C@H](S)C(=O)N1CC[C@H](C(C)(C)C)C1 ZINC000235550067 344938341 /nfs/dbraw/zinc/93/83/41/344938341.db2.gz DORQOJJTONILSE-IUCAKERBSA-N 0 0 215.362 2.199 10 30 BEEERN C[C@H]1SCC[C@]1(C#N)N1CCCCC1 ZINC000235662586 344977264 /nfs/dbraw/zinc/97/72/64/344977264.db2.gz PXKIJAXHGQUHFF-GHMZBOCLSA-N 0 0 210.346 2.260 10 30 BEEERN C[C@H](S)C(=O)Nc1cc(F)cc(F)c1 ZINC000235563566 344943796 /nfs/dbraw/zinc/94/37/96/344943796.db2.gz YOXIRRSPAIXBOW-YFKPBYRVSA-N 0 0 217.240 2.222 10 30 BEEERN C[C@H]1CS[C@@H](c2ccccc2C#N)N1 ZINC000235672291 345006468 /nfs/dbraw/zinc/00/64/68/345006468.db2.gz QGCRXOFRFXVEEW-KWQFWETISA-N 0 0 204.298 2.282 10 30 BEEERN Cc1ccc(C#N)c(OC(F)(F)F)n1 ZINC000238542350 345073617 /nfs/dbraw/zinc/07/36/17/345073617.db2.gz MNWFQFRBMFBJRT-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN C=C[C@H](N)c1occc1Br ZINC000238606013 345090194 /nfs/dbraw/zinc/09/01/94/345090194.db2.gz WNALCSHIGUIGGD-LURJTMIESA-N 0 0 202.051 2.228 10 30 BEEERN N#Cc1cncc(CF)c1OC(F)(F)F ZINC000238695321 345111745 /nfs/dbraw/zinc/11/17/45/345111745.db2.gz KBTBNZGTKHXDAQ-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN C=CCN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158831066 345381778 /nfs/dbraw/zinc/38/17/78/345381778.db2.gz RALACMUYEJYXGN-GFCCVEGCSA-N 0 0 207.273 2.147 10 30 BEEERN N#CCN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134848556 345423367 /nfs/dbraw/zinc/42/33/67/345423367.db2.gz ASJAUDWRSMKLIA-ZDUSSCGKSA-N 0 0 246.285 2.386 10 30 BEEERN Cc1nc(CC#N)ccc1Br ZINC000228789369 345397579 /nfs/dbraw/zinc/39/75/79/345397579.db2.gz QHSXCKURESEXEH-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN CCN(C[C@@H](C)C#N)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000249923722 362589620 /nfs/dbraw/zinc/58/96/20/362589620.db2.gz BJDWMRNNRQMNNT-YFKTTZPYSA-N 0 0 220.316 2.041 10 30 BEEERN Cc1cccc(C#N)c1S[C@@H](C)CO ZINC000221503342 345601976 /nfs/dbraw/zinc/60/19/76/345601976.db2.gz GUJJPNLFRWMIKB-VIFPVBQESA-N 0 0 207.298 2.340 10 30 BEEERN CCC[C@@H](CC(=O)OC)Nc1ncccc1C#N ZINC000092946597 345649133 /nfs/dbraw/zinc/64/91/33/345649133.db2.gz HZXKTLYSLYROTF-NSHDSACASA-N 0 0 247.298 2.097 10 30 BEEERN C=C(C)C1=N[C@](C)(c2ccccc2)C(=O)O1 ZINC000113990321 345754863 /nfs/dbraw/zinc/75/48/63/345754863.db2.gz URDUKROSCCHPQL-CYBMUJFWSA-N 0 0 215.252 2.433 10 30 BEEERN COC/C=C/COc1cccc([N+](=O)[O-])c1C#N ZINC000114233254 345755819 /nfs/dbraw/zinc/75/58/19/345755819.db2.gz GXCFSFAPICEWBP-NSCUHMNNSA-N 0 0 248.238 2.048 10 30 BEEERN CC(C)COCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000158871479 345715364 /nfs/dbraw/zinc/71/53/64/345715364.db2.gz VRHSJJOVDFVSLT-STQMWFEESA-N 0 0 224.348 2.331 10 30 BEEERN CCc1cc(C(=S)N=C(C)N(C)C)ccn1 ZINC000256015313 345764898 /nfs/dbraw/zinc/76/48/98/345764898.db2.gz ZEKZIKHHYNFSLL-UHFFFAOYSA-N 0 0 235.356 2.300 10 30 BEEERN OCCCC#Cc1cncc2ccccc12 ZINC000163521755 345772319 /nfs/dbraw/zinc/77/23/19/345772319.db2.gz NTODVSFDRZGTKU-UHFFFAOYSA-N 0 0 211.264 2.359 10 30 BEEERN CCCCC(=NNC(N)=S)c1ccccc1 ZINC000257354367 345774905 /nfs/dbraw/zinc/77/49/05/345774905.db2.gz XIKQCWKUXPAUPG-UHFFFAOYSA-N 0 0 235.356 2.414 10 30 BEEERN CC1(C)O[C@@H](C#N)[C@H](c2ccccc2)O1 ZINC000135723750 345783639 /nfs/dbraw/zinc/78/36/39/345783639.db2.gz ASRJZBPVKYWPOA-QWRGUYRKSA-N 0 0 203.241 2.403 10 30 BEEERN C=CCNC(=O)NC(C)(C)c1nc(C)cs1 ZINC000116518951 345797600 /nfs/dbraw/zinc/79/76/00/345797600.db2.gz UVELGKLXOORUCN-UHFFFAOYSA-N 0 0 239.344 2.172 10 30 BEEERN Cc1cc(F)c([C@]2(C)O[C@H]2C#N)cc1F ZINC000306412429 537914799 /nfs/dbraw/zinc/91/47/99/537914799.db2.gz QTFJCQCLGVXRDK-QWRGUYRKSA-N 0 0 209.195 2.411 10 30 BEEERN CC(C)(C)OC(=O)N1C(C)(C)OC[C@@]1(C)C#N ZINC000143021908 345864493 /nfs/dbraw/zinc/86/44/93/345864493.db2.gz MNUFSCBXGSROKQ-GFCCVEGCSA-N 0 0 240.303 2.272 10 30 BEEERN O=C1OCc2c1ccc([C@@H]1CO1)c2C(F)(F)F ZINC000220565889 345858756 /nfs/dbraw/zinc/85/87/56/345858756.db2.gz TUOOUVLDMMGYBK-QMMMGPOBSA-N 0 0 244.168 2.447 10 30 BEEERN C[C@@H](c1cccc2ncccc21)[C@@H](N)C#N ZINC000142214793 345862259 /nfs/dbraw/zinc/86/22/59/345862259.db2.gz UPYLDIMOPBXFJE-CABZTGNLSA-N 0 0 211.268 2.189 10 30 BEEERN C=C[C@@]1(C)Nc2ccc(OC)cc2C1=O ZINC000221125199 345863259 /nfs/dbraw/zinc/86/32/59/345863259.db2.gz DMAFYKFFYNHQKB-GFCCVEGCSA-N 0 0 203.241 2.248 10 30 BEEERN C=CCc1cc2c(cc1O)C(C)(C)[C@H](O)O2 ZINC000034490741 345835491 /nfs/dbraw/zinc/83/54/91/345835491.db2.gz GGBSALGUDSPIPH-GFCCVEGCSA-N 0 0 220.268 2.109 10 30 BEEERN CC(C)(C)OC(=O)NC[C@H](C=O)c1ccccc1 ZINC000137275391 345840960 /nfs/dbraw/zinc/84/09/60/345840960.db2.gz KRNRHNFYUAEYFC-GFCCVEGCSA-N 0 0 249.310 2.494 10 30 BEEERN Cn1nccc1C1=CCC(C)(C)CC1=O ZINC000144113429 345917674 /nfs/dbraw/zinc/91/76/74/345917674.db2.gz ALAHELQJNDIWDE-UHFFFAOYSA-N 0 0 204.273 2.193 10 30 BEEERN N#C[C@H]1CCCN(Cc2ccccc2)C(=O)C1 ZINC000146127760 345955668 /nfs/dbraw/zinc/95/56/68/345955668.db2.gz IEJDTJRLQLYCSY-ZDUSSCGKSA-N 0 0 228.295 2.339 10 30 BEEERN C#C[C@H](C)Nc1nc(Br)cs1 ZINC000166891279 345943621 /nfs/dbraw/zinc/94/36/21/345943621.db2.gz PJZZJVKNSXQMQG-YFKPBYRVSA-N 0 0 231.118 2.339 10 30 BEEERN Cc1ccc2c(c1)CN(C(C)(C)C#N)CCO2 ZINC000336506958 178946642 /nfs/dbraw/zinc/94/66/42/178946642.db2.gz KFQMMKAKJBMJHD-UHFFFAOYSA-N 0 0 230.311 2.492 10 30 BEEERN N#CCc1csc(CC(F)(F)F)n1 ZINC000061798231 345949669 /nfs/dbraw/zinc/94/96/69/345949669.db2.gz BESTUUJAJNTUJD-UHFFFAOYSA-N 0 0 206.192 2.314 10 30 BEEERN N#CCc1csc(-c2ccccn2)n1 ZINC000061798149 345949905 /nfs/dbraw/zinc/94/99/05/345949905.db2.gz QTKKFIAIERTTHL-UHFFFAOYSA-N 0 0 201.254 2.271 10 30 BEEERN CC[C@H](CC(=O)N[C@H](C)C#N)C(C)(C)C ZINC000601018541 345996350 /nfs/dbraw/zinc/99/63/50/345996350.db2.gz HIJWSUFBROCBDW-NXEZZACHSA-N 0 0 210.321 2.477 10 30 BEEERN CC(C)[C@H]1CC[C@H](OS(C)(=O)=O)CC1 ZINC000147881856 346030553 /nfs/dbraw/zinc/03/05/53/346030553.db2.gz OVGKOWMNJYALJP-AOOOYVTPSA-N 0 0 220.334 2.177 10 30 BEEERN CN(C)c1ccc(C#N)c(Br)c1 ZINC000148359382 346049151 /nfs/dbraw/zinc/04/91/51/346049151.db2.gz SXAHEWNAHQTFLP-UHFFFAOYSA-N 0 0 225.089 2.387 10 30 BEEERN Cc1ccc(CCNc2cc(C#N)cc(C)n2)o1 ZINC000587197338 346199246 /nfs/dbraw/zinc/19/92/46/346199246.db2.gz CGBGIITUQFSVCP-UHFFFAOYSA-N 0 0 241.294 2.240 10 30 BEEERN N#CC#Cc1cccc(Br)c1F ZINC000236212835 346211304 /nfs/dbraw/zinc/21/13/04/346211304.db2.gz XUTLUBGDZOPZNG-UHFFFAOYSA-N 0 0 224.032 2.463 10 30 BEEERN Cc1cccc(=O)n1Cc1cccc(C#N)c1 ZINC000037670247 179003172 /nfs/dbraw/zinc/00/31/72/179003172.db2.gz WPJZRBPPDKRVPR-UHFFFAOYSA-N 0 0 224.263 2.077 10 30 BEEERN N#C[C@H](CO)Cc1ccc(Cl)c(F)c1 ZINC000236507685 346245550 /nfs/dbraw/zinc/24/55/50/346245550.db2.gz WIXZRFDFJNHYSJ-MRVPVSSYSA-N 0 0 213.639 2.154 10 30 BEEERN C=C(C)C(=O)NCc1cc(C)c(O)c(C)c1 ZINC000002565763 346512122 /nfs/dbraw/zinc/51/21/22/346512122.db2.gz YKOPNUQPGUPYFM-UHFFFAOYSA-N 0 0 219.284 2.201 10 30 BEEERN Cc1cnc(CC#N)c(Br)c1 ZINC000163530741 346564196 /nfs/dbraw/zinc/56/41/96/346564196.db2.gz WOLJIJQDACWVIN-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN C[C@@H](OS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000149219276 346600365 /nfs/dbraw/zinc/60/03/65/346600365.db2.gz FVSQMDXZDMQDML-SSDOTTSWSA-N 0 0 234.704 2.377 10 30 BEEERN Cc1cccc(N[C@H](C#N)c2cnn(C)c2)c1 ZINC000037936855 179156017 /nfs/dbraw/zinc/15/60/17/179156017.db2.gz DOHIMLQUEJZMBK-CYBMUJFWSA-N 0 0 226.283 2.405 10 30 BEEERN C=CCCCN(C)C(=O)c1ccncc1F ZINC000127323107 133643973 /nfs/dbraw/zinc/64/39/73/133643973.db2.gz JOJCWNDXEKPERH-UHFFFAOYSA-N 0 0 222.263 2.259 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1cncc(F)c1 ZINC000309575149 347107522 /nfs/dbraw/zinc/10/75/22/347107522.db2.gz ONUOBWAEWUHPDF-ZYHUDNBSSA-N 0 0 219.263 2.003 10 30 BEEERN O=C1C=C(Cc2cn3ccsc3n2)CC1 ZINC000149455889 347131837 /nfs/dbraw/zinc/13/18/37/347131837.db2.gz HZLCFRSOSIQRTL-UHFFFAOYSA-N 0 0 218.281 2.228 10 30 BEEERN C=CCCCN(C)C(=O)c1cncc(F)c1 ZINC000130889921 133660243 /nfs/dbraw/zinc/66/02/43/133660243.db2.gz AAIHTLTXNXSJPK-UHFFFAOYSA-N 0 0 222.263 2.259 10 30 BEEERN Cc1ccccc1C(=O)N1CCC[C@@H]1C#N ZINC000057497076 179247273 /nfs/dbraw/zinc/24/72/73/179247273.db2.gz RDEJEMJRZQNOMV-LLVKDONJSA-N 0 0 214.268 2.123 10 30 BEEERN CC(C)N(CCC#N)C(=O)c1cccc(F)c1N ZINC000054211824 1172093127 /nfs/dbraw/zinc/09/31/27/1172093127.db2.gz TWKIAAUHIDQVQI-UHFFFAOYSA-N 0 0 249.289 2.172 10 30 BEEERN Cc1ccccc1C1=CC(=O)C[C@@](C)(O)C1 ZINC000040174942 179255128 /nfs/dbraw/zinc/25/51/28/179255128.db2.gz BHCXYMSHMNHMPO-AWEZNQCLSA-N 0 0 216.280 2.492 10 30 BEEERN Cc1ccccc1N(C)C[C@]1(C=O)CCCOC1 ZINC000104326446 179294190 /nfs/dbraw/zinc/29/41/90/179294190.db2.gz VXWLQTHNJQHDCC-HNNXBMFYSA-N 0 0 247.338 2.427 10 30 BEEERN Cc1ccccc1Oc1ncccc1/C(N)=N/O ZINC000019431347 179313756 /nfs/dbraw/zinc/31/37/56/179313756.db2.gz POTOZWKODXDHEO-UHFFFAOYSA-N 0 0 243.266 2.277 10 30 BEEERN C=C[C@H](O)C(F)(F)P(=O)(OCC)OCC ZINC000196491220 347910172 /nfs/dbraw/zinc/91/01/72/347910172.db2.gz QTMMFZFUOWHJDC-ZETCQYMHSA-N 0 0 244.174 2.392 10 30 BEEERN COc1cc([C@@H](C#N)C(C)=O)ccc1C ZINC000036931347 347965750 /nfs/dbraw/zinc/96/57/50/347965750.db2.gz DNAUGZALSDZONL-NSHDSACASA-N 0 0 203.241 2.200 10 30 BEEERN CC1(c2ccc(CCC#N)cc2)OCCO1 ZINC000204310303 348294796 /nfs/dbraw/zinc/29/47/96/348294796.db2.gz AZTMAUSZZVYBNI-UHFFFAOYSA-N 0 0 217.268 2.362 10 30 BEEERN OCCC#Cc1ccccc1OC(F)(F)F ZINC000037470442 348611182 /nfs/dbraw/zinc/61/11/82/348611182.db2.gz ULIMBUSROGTQAL-UHFFFAOYSA-N 0 0 230.185 2.319 10 30 BEEERN CC(C)(C)OC(=O)Nc1cccc(C#CCO)c1 ZINC000039042839 348817702 /nfs/dbraw/zinc/81/77/02/348817702.db2.gz HEZMBWSSPFCLBD-UHFFFAOYSA-N 0 0 247.294 2.377 10 30 BEEERN C[C@@H]1CCC[C@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000598416672 348970723 /nfs/dbraw/zinc/97/07/23/348970723.db2.gz CTORRMKOTINTFA-NQBHXWOUSA-N 0 0 220.316 2.185 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598416671 348970804 /nfs/dbraw/zinc/97/08/04/348970804.db2.gz CTORRMKOTINTFA-MDZLAQPJSA-N 0 0 220.316 2.185 10 30 BEEERN Cc1ccc(C#N)c(=O)n1Cc1ccccc1F ZINC000041605092 187429492 /nfs/dbraw/zinc/42/94/92/187429492.db2.gz UENVJBYBCUIWDT-UHFFFAOYSA-N 0 0 242.253 2.216 10 30 BEEERN C=CCCC(=O)Nc1n[nH]c2ccccc21 ZINC000054432933 1172113666 /nfs/dbraw/zinc/11/36/66/1172113666.db2.gz FAAMXMQGKMARQS-UHFFFAOYSA-N 0 0 215.256 2.468 10 30 BEEERN C=CC[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000059255695 349212007 /nfs/dbraw/zinc/21/20/07/349212007.db2.gz SISDYNVDFJAPLB-JTQLQIEISA-N 0 0 238.283 2.322 10 30 BEEERN Cc1cocc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000599629718 349229022 /nfs/dbraw/zinc/22/90/22/349229022.db2.gz LFXOZDWLUUFFTN-KOLCDFICSA-N 0 0 218.256 2.010 10 30 BEEERN O[C@@H]1CCC[C@H]1C#CCc1ccccc1 ZINC000616581370 349263399 /nfs/dbraw/zinc/26/33/99/349263399.db2.gz OOFHPOKWICTVBG-ZIAGYGMSSA-N 0 0 200.281 2.394 10 30 BEEERN Cc1nn(C)c(C)c1-c1cc(CS)no1 ZINC000725253888 538039232 /nfs/dbraw/zinc/03/92/32/538039232.db2.gz PFPUCCHANBAZGD-UHFFFAOYSA-N 0 0 223.301 2.122 10 30 BEEERN CSc1ncc(C#C[Si](C)(C)C)cn1 ZINC000203996190 490254817 /nfs/dbraw/zinc/25/48/17/490254817.db2.gz NEUOLVBVSIKCTL-UHFFFAOYSA-N 0 0 222.389 2.427 10 30 BEEERN CC#CCOc1ccc(CO)cc1Cl ZINC000051664089 350021240 /nfs/dbraw/zinc/02/12/40/350021240.db2.gz FACQTZUAQYMMSV-UHFFFAOYSA-N 0 0 210.660 2.234 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)N(C)c2cccc(C#N)c2)O1 ZINC000128677491 350022734 /nfs/dbraw/zinc/02/27/34/350022734.db2.gz VDDZDRHRUIEEES-ZWNOBZJWSA-N 0 0 244.294 2.089 10 30 BEEERN COCc1cccc(C#N)c1Br ZINC000072191319 191004342 /nfs/dbraw/zinc/00/43/42/191004342.db2.gz GDELOVCABJOTCJ-UHFFFAOYSA-N 0 0 226.073 2.467 10 30 BEEERN O=CCc1ccc(OCc2ccccn2)cc1 ZINC000039186919 350113515 /nfs/dbraw/zinc/11/35/15/350113515.db2.gz PRHOBACMOJTLOD-UHFFFAOYSA-N 0 0 227.263 2.402 10 30 BEEERN Cc1nc(N2CCCCC2)sc1/C=N\O ZINC000100237503 180001465 /nfs/dbraw/zinc/00/14/65/180001465.db2.gz GBCQKDGMZOJECU-XFFZJAGNSA-N 0 0 225.317 2.250 10 30 BEEERN N#CC1(c2cncc(C(F)(F)F)c2)CC(=O)C1 ZINC000218577453 350096393 /nfs/dbraw/zinc/09/63/93/350096393.db2.gz IUNGTKOTPRRYDZ-UHFFFAOYSA-N 0 0 240.184 2.225 10 30 BEEERN Cc1nc([C@@H]2CCCO2)sc1CC#N ZINC000082420673 180046164 /nfs/dbraw/zinc/04/61/64/180046164.db2.gz FJVHJIROWNJBOM-QMMMGPOBSA-N 0 0 208.286 2.369 10 30 BEEERN CC(C)(C)OC(=O)Cc1cccc(C#N)c1 ZINC000309181278 350121721 /nfs/dbraw/zinc/12/17/21/350121721.db2.gz DKLYLPMCYMCABA-UHFFFAOYSA-N 0 0 217.268 2.442 10 30 BEEERN Cc1ncc(CN[C@H]2CCC[C@H]2C#N)s1 ZINC000054826240 180157761 /nfs/dbraw/zinc/15/77/61/180157761.db2.gz KAENCNFYJAMKCJ-ONGXEEELSA-N 0 0 221.329 2.233 10 30 BEEERN Cc1ncc(CN[C@H]2CCC[C@@H]2C#N)s1 ZINC000054826238 180159038 /nfs/dbraw/zinc/15/90/38/180159038.db2.gz KAENCNFYJAMKCJ-KOLCDFICSA-N 0 0 221.329 2.233 10 30 BEEERN CC(C)(CC#N)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000316046333 350210424 /nfs/dbraw/zinc/21/04/24/350210424.db2.gz VZUJCEFGHBUQFH-JGPRNRPPSA-N 0 0 220.316 2.089 10 30 BEEERN CN(C)c1c(C#N)cnc2c(F)cc(F)cc21 ZINC000072237081 187442637 /nfs/dbraw/zinc/44/26/37/187442637.db2.gz AQYKXAJNEGCUAF-UHFFFAOYSA-N 0 0 233.221 2.451 10 30 BEEERN Cc1ncsc1CCOc1ncccc1C#N ZINC000019431005 180311312 /nfs/dbraw/zinc/31/13/12/180311312.db2.gz DCINQZMAANGTJD-UHFFFAOYSA-N 0 0 245.307 2.340 10 30 BEEERN Cc1nn(-c2ccc(F)cc2C#N)c(C)c1N ZINC000104251855 180328335 /nfs/dbraw/zinc/32/83/35/180328335.db2.gz PZRMTVREBLWELF-UHFFFAOYSA-N 0 0 230.246 2.082 10 30 BEEERN Cc1nn(-c2ccccc2)c(C)c1/C=N\O ZINC000096900721 180329137 /nfs/dbraw/zinc/32/91/37/180329137.db2.gz RCSJQQFWHWWMMN-JYRVWZFOSA-N 0 0 215.256 2.297 10 30 BEEERN C=C[C@H]1COCc2c1cccc2[N+](=O)[O-] ZINC000146498340 191098252 /nfs/dbraw/zinc/09/82/52/191098252.db2.gz VBPLFGYCWUNTRM-QMMMGPOBSA-N 0 0 205.213 2.395 10 30 BEEERN CO[C@@](C=O)(c1ccccc1)C(F)(F)F ZINC000034349432 350466663 /nfs/dbraw/zinc/46/66/63/350466663.db2.gz UICQTAXBNAAHHX-VIFPVBQESA-N 0 0 218.174 2.290 10 30 BEEERN O=CCc1cn(CCF)nc1-c1ccsc1 ZINC000409437307 350480403 /nfs/dbraw/zinc/48/04/03/350480403.db2.gz FWDFICIALHQEOF-UHFFFAOYSA-N 0 0 238.287 2.323 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@]12CCC[C@H]2C ZINC000252579084 538094653 /nfs/dbraw/zinc/09/46/53/538094653.db2.gz MXIFDOKLEJLRJY-USWWRNFRSA-N 0 0 212.289 2.287 10 30 BEEERN O=CCCSc1nc2ccccc2[nH]1 ZINC000062546717 350546121 /nfs/dbraw/zinc/54/61/21/350546121.db2.gz WKQCWOGGGGYIFI-UHFFFAOYSA-N 0 0 206.270 2.244 10 30 BEEERN Cc1nnc(NCc2ccc(C#N)cc2F)s1 ZINC000083378345 180434953 /nfs/dbraw/zinc/43/49/53/180434953.db2.gz FAELNHWJTCWNSE-UHFFFAOYSA-N 0 0 248.286 2.469 10 30 BEEERN C[C@@H]1N(Cc2ccccc2)CC[C@@]1(C#N)N(C)C ZINC000306674768 350823718 /nfs/dbraw/zinc/82/37/18/350823718.db2.gz RCFULLBMPNJIFF-ZFWWWQNUSA-N 0 0 243.354 2.105 10 30 BEEERN COC(=O)N1CC[C@H](c2cccc(C#N)c2)C1 ZINC000616610879 350807125 /nfs/dbraw/zinc/80/71/25/350807125.db2.gz ZZDVRXRUPRAMPJ-LBPRGKRZSA-N 0 0 230.267 2.114 10 30 BEEERN CC[C@@H]1C[C@@]2(CCC[C@@H](C=O)O2)CCO1 ZINC000306729672 350898525 /nfs/dbraw/zinc/89/85/25/350898525.db2.gz OSQXQSOHLQLKJC-GRYCIOLGSA-N 0 0 212.289 2.082 10 30 BEEERN CC#CCCC(=O)c1c(C)nn(C)c1C ZINC000162014736 350886527 /nfs/dbraw/zinc/88/65/27/350886527.db2.gz PXMVCGKIPZEAEK-UHFFFAOYSA-N 0 0 204.273 2.023 10 30 BEEERN O=C(C1=COCC1)[C@H]1Cc2ccccc21 ZINC000306724365 350892922 /nfs/dbraw/zinc/89/29/22/350892922.db2.gz IOXWTLZVNVIFPV-LBPRGKRZSA-N 0 0 200.237 2.200 10 30 BEEERN C=CC(=O)c1ccc(C(=O)OCC)cc1 ZINC000002579513 350895196 /nfs/dbraw/zinc/89/51/96/350895196.db2.gz LTOFQCVDLOBUPL-UHFFFAOYSA-N 0 0 204.225 2.232 10 30 BEEERN C=CC(=O)c1ccc(Br)cc1N ZINC000159684162 350972616 /nfs/dbraw/zinc/97/26/16/350972616.db2.gz APYSAAVJFSSUTE-UHFFFAOYSA-N 0 0 226.073 2.400 10 30 BEEERN C#Cc1cn2cc(Br)c(C)cc2n1 ZINC000159735343 350989754 /nfs/dbraw/zinc/98/97/54/350989754.db2.gz CMKCSQGPSDOSLH-UHFFFAOYSA-N 0 0 235.084 2.387 10 30 BEEERN CC[C@@H](S)C(=O)N1CCC(C)=C(C)C1 ZINC000306763101 350992784 /nfs/dbraw/zinc/99/27/84/350992784.db2.gz FRSMSCZODOIRBI-SNVBAGLBSA-N 0 0 213.346 2.264 10 30 BEEERN Cc1cscc1NC(=O)[C@H](C)S ZINC000306776546 351017795 /nfs/dbraw/zinc/01/77/95/351017795.db2.gz ZDKURRYMKWKWLA-LURJTMIESA-N 0 0 201.316 2.313 10 30 BEEERN N#CCc1cc(C(F)(F)F)ncc1F ZINC000306790016 351039356 /nfs/dbraw/zinc/03/93/56/351039356.db2.gz UUYIJJHSADXFIS-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN CCC[S@](=O)Nc1ccccc1C#N ZINC000306792448 351041788 /nfs/dbraw/zinc/04/17/88/351041788.db2.gz DQZRTCMNXFEICO-AWEZNQCLSA-N 0 0 208.286 2.044 10 30 BEEERN CC[S@@](=O)Nc1cc(C#N)ccc1Cl ZINC000306810331 351064198 /nfs/dbraw/zinc/06/41/98/351064198.db2.gz UIJRCMHIZXWGDF-CQSZACIVSA-N 0 0 228.704 2.307 10 30 BEEERN COC(=O)c1c(C)ccc(Cl)c1C#N ZINC000306809779 351064262 /nfs/dbraw/zinc/06/42/62/351064262.db2.gz AKBWNEJMTYDERI-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN N#Cc1cccc([C@@H]2CCCCN(C(N)=O)C2)c1 ZINC000616629662 351100671 /nfs/dbraw/zinc/10/06/71/351100671.db2.gz PCDSIXBMPZOJEB-CYBMUJFWSA-N 0 0 243.310 2.206 10 30 BEEERN N#Cc1ccc([C@@H]2CCCN(C(N)=O)CC2)cc1 ZINC000616627017 351106831 /nfs/dbraw/zinc/10/68/31/351106831.db2.gz COCCQKUUFDOTED-GFCCVEGCSA-N 0 0 243.310 2.206 10 30 BEEERN CC(=O)N1CCC[C@@H]1c1ccccc1C#N ZINC000616633305 351114652 /nfs/dbraw/zinc/11/46/52/351114652.db2.gz PCVQBXFVWSYQMU-CYBMUJFWSA-N 0 0 214.268 2.242 10 30 BEEERN C=CC(=O)Cc1ccc(Br)o1 ZINC000306810747 351077942 /nfs/dbraw/zinc/07/79/42/351077942.db2.gz VBCYHEADFNOXTC-UHFFFAOYSA-N 0 0 215.046 2.340 10 30 BEEERN O=C(C1=CCCO1)c1c(F)cccc1F ZINC000168101976 351294568 /nfs/dbraw/zinc/29/45/68/351294568.db2.gz HVGMERQQEUNQRO-UHFFFAOYSA-N 0 0 210.179 2.452 10 30 BEEERN COC(=O)c1cc(C#N)c(F)cc1Cl ZINC000306953082 351380070 /nfs/dbraw/zinc/38/00/70/351380070.db2.gz FLEAECNOAUGWFM-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN O=C(CS)Nc1ccsc1Cl ZINC000307023423 351427721 /nfs/dbraw/zinc/42/77/21/351427721.db2.gz VGYWKQDRGGAVSH-UHFFFAOYSA-N 0 0 207.707 2.270 10 30 BEEERN N#Cc1ncc(Cl)cc1OC(F)F ZINC000307021076 351428685 /nfs/dbraw/zinc/42/86/85/351428685.db2.gz AWMZTBIJZXVFMQ-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN C[C@H](C#N)NC[C@H](C)COCc1ccccc1 ZINC000307020539 351424749 /nfs/dbraw/zinc/42/47/49/351424749.db2.gz TVYKYLSHLYBJFK-QWHCGFSZSA-N 0 0 232.327 2.341 10 30 BEEERN C=C[C@@H](NN)c1cscc1Br ZINC000405002977 363072769 /nfs/dbraw/zinc/07/27/69/363072769.db2.gz IRESLADJVXYYMI-SSDOTTSWSA-N 0 0 233.134 2.201 10 30 BEEERN N#Cc1cc(OC(F)F)cc(Cl)n1 ZINC000307168816 351542792 /nfs/dbraw/zinc/54/27/92/351542792.db2.gz WALXBANXXRUIRQ-UHFFFAOYSA-N 0 0 204.563 2.208 10 30 BEEERN CCC1(NC(=O)C#CBr)CCCC1 ZINC000307252242 351770281 /nfs/dbraw/zinc/77/02/81/351770281.db2.gz RTCZMYLIWYDODN-UHFFFAOYSA-N 0 0 244.132 2.181 10 30 BEEERN N#Cc1cnc(OC(F)F)cc1Br ZINC000307267305 351813774 /nfs/dbraw/zinc/81/37/74/351813774.db2.gz IJQVCDMJJPUASE-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN C#Cc1cccc(N[C@H](C)C(=O)N2CCCC2)c1 ZINC000055351701 187534403 /nfs/dbraw/zinc/53/44/03/187534403.db2.gz FUPJHVMCFIIAJX-GFCCVEGCSA-N 0 0 242.322 2.091 10 30 BEEERN CC(=O)O[C@H](C#N)c1cccc(Cl)c1 ZINC000077303711 187534450 /nfs/dbraw/zinc/53/44/50/187534450.db2.gz SENPYKLAPZLUME-SNVBAGLBSA-N 0 0 209.632 2.468 10 30 BEEERN CC1(C)C[C@](CCC#N)(C2OCCO2)CCO1 ZINC000062722675 187535355 /nfs/dbraw/zinc/53/53/55/187535355.db2.gz LKMDKDHKANEXRK-CYBMUJFWSA-N 0 0 239.315 2.238 10 30 BEEERN CCn1nc(C)c(Br)c1CS ZINC000307309650 351952585 /nfs/dbraw/zinc/95/25/85/351952585.db2.gz PNLURDCFECXUIA-UHFFFAOYSA-N 0 0 235.150 2.404 10 30 BEEERN CN[C@H](C#N)c1cc(F)cc(Br)c1 ZINC000307343786 352090934 /nfs/dbraw/zinc/09/09/34/352090934.db2.gz XUIDCUZBDNSRGD-SECBINFHSA-N 0 0 243.079 2.372 10 30 BEEERN CCCc1cc(C(=O)OC)c(C#N)c(Cl)n1 ZINC000040175385 352163531 /nfs/dbraw/zinc/16/35/31/352163531.db2.gz MQBAIZPUXFVTCS-UHFFFAOYSA-N 0 0 238.674 2.346 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000044765711 352393310 /nfs/dbraw/zinc/39/33/10/352393310.db2.gz BRDSESPQYDBNRT-GHMZBOCLSA-N 0 0 238.331 2.000 10 30 BEEERN CC[C@@H](C#N)C(=O)NCC1CCCCC1 ZINC000044822518 352434488 /nfs/dbraw/zinc/43/44/88/352434488.db2.gz FYPROUCTQWIMPF-NSHDSACASA-N 0 0 208.305 2.233 10 30 BEEERN C=CCN(C(=C)C(=O)OC)C(=O)c1ccccc1 ZINC000034239483 187720961 /nfs/dbraw/zinc/72/09/61/187720961.db2.gz ULJKDIVSHAVKPW-UHFFFAOYSA-N 0 0 245.278 2.002 10 30 BEEERN O=C[C@H](O)c1ccc(Cl)cc1Cl ZINC000307475344 352618634 /nfs/dbraw/zinc/61/86/34/352618634.db2.gz XTLPUFNIDDJQJW-QMMMGPOBSA-N 0 0 205.040 2.226 10 30 BEEERN CO[C@@H](C=O)c1cc(Br)cs1 ZINC000307455090 352608250 /nfs/dbraw/zinc/60/82/50/352608250.db2.gz BZASQICSIWLXDM-LURJTMIESA-N 0 0 235.102 2.397 10 30 BEEERN O=C[C@@H]1CC[C@@H](c2ccc(F)c(F)c2)O1 ZINC000307407406 352581866 /nfs/dbraw/zinc/58/18/66/352581866.db2.gz CKVHOZGPBBNPGV-KWQFWETISA-N 0 0 212.195 2.384 10 30 BEEERN N#CCc1cc(Br)cc(O)c1F ZINC000307531684 352638538 /nfs/dbraw/zinc/63/85/38/352638538.db2.gz WFZZBANHRHHUJL-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN COC(=O)c1cc(Cl)c(C)c(C#N)c1 ZINC000307534140 352640108 /nfs/dbraw/zinc/64/01/08/352640108.db2.gz OYRRYWBIHMIGRR-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN C[C@@]1(c2nccs2)CC[C@@H](CC#N)O1 ZINC000307573578 352658285 /nfs/dbraw/zinc/65/82/85/352658285.db2.gz FUYXSUDSGNZMNK-WPRPVWTQSA-N 0 0 208.286 2.451 10 30 BEEERN C=C(C)[C@H]1CC=C(C)[C@@H](OS(C)(=O)=O)C1 ZINC000039111242 187773832 /nfs/dbraw/zinc/77/38/32/187773832.db2.gz FGQSJVJBTSXXES-QWRGUYRKSA-N 0 0 230.329 2.264 10 30 BEEERN CC#CCCNc1nccc(SC)n1 ZINC000307484599 352620154 /nfs/dbraw/zinc/62/01/54/352620154.db2.gz TYWKGMYYQSFXQU-UHFFFAOYSA-N 0 0 207.302 2.024 10 30 BEEERN C#CCOc1c(Br)cccc1C=O ZINC000042412014 352625952 /nfs/dbraw/zinc/62/59/52/352625952.db2.gz PSZKAMMVZCFQHT-UHFFFAOYSA-N 0 0 239.068 2.274 10 30 BEEERN SCCc1csc(-c2ccncn2)n1 ZINC000307497614 352626030 /nfs/dbraw/zinc/62/60/30/352626030.db2.gz JUIRGTYNRJGVOW-UHFFFAOYSA-N 0 0 223.326 2.072 10 30 BEEERN C=CCOc1ncccc1Br ZINC000042376488 352626977 /nfs/dbraw/zinc/62/69/77/352626977.db2.gz BJELQJVTEPPJTH-UHFFFAOYSA-N 0 0 214.062 2.409 10 30 BEEERN N#Cc1cncc2sc(Br)nc21 ZINC000095932880 187801224 /nfs/dbraw/zinc/80/12/24/187801224.db2.gz CWZQCDZBHJAARD-UHFFFAOYSA-N 0 0 240.085 2.325 10 30 BEEERN C#CCCCCNC(=O)N[C@H](C)C(C)C ZINC000159018155 187810479 /nfs/dbraw/zinc/81/04/79/187810479.db2.gz NGCNYXAPLJZIRH-LLVKDONJSA-N 0 0 210.321 2.134 10 30 BEEERN CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000336745482 352731479 /nfs/dbraw/zinc/73/14/79/352731479.db2.gz BDCPWTMOZWEOBU-VXGBXAGGSA-N 0 0 210.321 2.083 10 30 BEEERN N#Cc1cnc2cc3c(cc2c1Cl)OCO3 ZINC000019966565 187826914 /nfs/dbraw/zinc/82/69/14/187826914.db2.gz CFNKJCYRDLXYOP-UHFFFAOYSA-N 0 0 232.626 2.489 10 30 BEEERN N#CCc1c(O)cc(Br)cc1F ZINC000306317924 353003572 /nfs/dbraw/zinc/00/35/72/353003572.db2.gz ZPJCUKOCVVGYEB-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN Cc1ccc(Br)cc1C/C(N)=N/O ZINC000306322254 353004202 /nfs/dbraw/zinc/00/42/02/353004202.db2.gz CBFCWBOLIMILFG-UHFFFAOYSA-N 0 0 243.104 2.046 10 30 BEEERN N#Cc1snc(Cl)c1NCC(F)F ZINC000307744981 353124599 /nfs/dbraw/zinc/12/45/99/353124599.db2.gz QDYPVWBIIBLVET-UHFFFAOYSA-N 0 0 223.635 2.345 10 30 BEEERN CC(C)=CC(=O)c1c(Br)cnn1C ZINC000232561266 353133985 /nfs/dbraw/zinc/13/39/85/353133985.db2.gz ALQUWZPWNDSPSX-UHFFFAOYSA-N 0 0 243.104 2.332 10 30 BEEERN C#CC(C)(C)Oc1c(F)cccc1C=O ZINC000232579647 353137225 /nfs/dbraw/zinc/13/72/25/353137225.db2.gz IAJULUKPZFGEIY-UHFFFAOYSA-N 0 0 206.216 2.429 10 30 BEEERN CC#CCNc1cccc(Br)n1 ZINC000229322944 353120560 /nfs/dbraw/zinc/12/05/60/353120560.db2.gz KAHBQDGPYYUAAP-UHFFFAOYSA-N 0 0 225.089 2.279 10 30 BEEERN C#CC(=O)Nc1cc(F)ccc1Br ZINC000229329052 353121333 /nfs/dbraw/zinc/12/13/33/353121333.db2.gz OOJJRPICPHFMPC-UHFFFAOYSA-N 0 0 242.047 2.160 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000329757675 538109482 /nfs/dbraw/zinc/10/94/82/538109482.db2.gz ZMBWACQNTFMEAR-RVMXOQNASA-N 0 0 247.342 2.325 10 30 BEEERN CC(C)=NNC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000000137474 188098531 /nfs/dbraw/zinc/09/85/31/188098531.db2.gz NTCPGFFPZZGIIP-IVZWLZJFSA-N 0 0 225.361 2.035 10 30 BEEERN C=C(C)C(=O)Nc1nnc(-c2cccnc2)s1 ZINC000003073307 188100617 /nfs/dbraw/zinc/10/06/17/188100617.db2.gz YZRUGMJFSFFWQO-UHFFFAOYSA-N 0 0 246.295 2.115 10 30 BEEERN COc1ccc([C@H]2CC(=O)C=CO2)cc1 ZINC000038251913 188103086 /nfs/dbraw/zinc/10/30/86/188103086.db2.gz RITOENHNMXHYGJ-GFCCVEGCSA-N 0 0 204.225 2.239 10 30 BEEERN COc1cc(Br)ccc1OCC#N ZINC000011834459 188105304 /nfs/dbraw/zinc/10/53/04/188105304.db2.gz CANDHCRSLPOERU-UHFFFAOYSA-N 0 0 242.072 2.360 10 30 BEEERN C/C(=N\O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000019506153 188108006 /nfs/dbraw/zinc/10/80/06/188108006.db2.gz QKUDBRHQPITISC-JAFATYBOSA-N 0 0 232.283 2.479 10 30 BEEERN CCOC(=O)[C@]1(CC)O[C@]12C[C@@H](C)[C@H]2C ZINC000309012364 538110136 /nfs/dbraw/zinc/11/01/36/538110136.db2.gz XSQRNXQUWJROSV-LSKIRQOJSA-N 0 0 212.289 2.143 10 30 BEEERN C=CCNC(=O)CNc1cc(C)cc(C)c1 ZINC000032013302 166370597 /nfs/dbraw/zinc/37/05/97/166370597.db2.gz DIKBOWQIEMQHSA-UHFFFAOYSA-N 0 0 218.300 2.018 10 30 BEEERN N#CCOC(=O)c1cc2cc(N)ccc2s1 ZINC000041047798 188117935 /nfs/dbraw/zinc/11/79/35/188117935.db2.gz OTYASCXLLZNKLL-UHFFFAOYSA-N 0 0 232.264 2.164 10 30 BEEERN O=CCSc1ccc2c(c1)OCCCO2 ZINC000121980342 538110327 /nfs/dbraw/zinc/11/03/27/538110327.db2.gz MEPJHWDYWWLYIV-UHFFFAOYSA-N 0 0 224.281 2.139 10 30 BEEERN N#Cc1ccc(Oc2ccncc2)c(N)c1 ZINC000042410844 188119207 /nfs/dbraw/zinc/11/92/07/188119207.db2.gz QXRDIFBCQBHJEO-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#CCCN(c1cccc(F)c1N)C1CC1 ZINC000042531285 188120536 /nfs/dbraw/zinc/12/05/36/188120536.db2.gz UOBIYUIEANMTHB-UHFFFAOYSA-N 0 0 219.263 2.290 10 30 BEEERN COc1ccc(N)cc1CN(CCC#N)C1CC1 ZINC000042530965 188120825 /nfs/dbraw/zinc/12/08/25/188120825.db2.gz PBGRNQGUPBVZDD-UHFFFAOYSA-N 0 0 245.326 2.155 10 30 BEEERN CC(C)N(CC1CC1)c1ccccc1/C(N)=N/O ZINC000042583622 188120992 /nfs/dbraw/zinc/12/09/92/188120992.db2.gz WVINHIYZMHVHFQ-UHFFFAOYSA-N 0 0 247.342 2.406 10 30 BEEERN C=C(C)CNC(=S)NN=Cc1ccco1 ZINC000013687086 188105765 /nfs/dbraw/zinc/10/57/65/188105765.db2.gz OZUJYRBYNGTRBH-KPKJPENVSA-N 0 0 223.301 2.065 10 30 BEEERN N#CCCNCc1cccc2cnccc21 ZINC000061125039 188128319 /nfs/dbraw/zinc/12/83/19/188128319.db2.gz MDRJUEYNPXYUTA-UHFFFAOYSA-N 0 0 211.268 2.238 10 30 BEEERN CC(C)(C=O)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000082163962 188137459 /nfs/dbraw/zinc/13/74/59/188137459.db2.gz RDPSRQAHEBIFRW-NSHDSACASA-N 0 0 221.256 2.272 10 30 BEEERN C[C@@H]1C[C@@H]1NC(=O)c1c[nH]c2cccnc12 ZINC000329903979 538110805 /nfs/dbraw/zinc/11/08/05/538110805.db2.gz QSTOAPASJLHERA-XCBNKYQSSA-N 0 0 215.256 2.276 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCCC2(CC2)C1 ZINC000329944889 538110851 /nfs/dbraw/zinc/11/08/51/538110851.db2.gz WZTZBEZREIWGIZ-NWDGAFQWSA-N 0 0 247.342 2.469 10 30 BEEERN O=C(NCC1(C(F)F)CC1)[C@@H]1CCCC(=O)N1 ZINC000329928066 538110865 /nfs/dbraw/zinc/11/08/65/538110865.db2.gz MDDRPWVPWPABFA-ZETCQYMHSA-N 0 0 246.257 2.497 10 30 BEEERN CC[C@@]1(c2cccc(C)c2)O[C@@H]1C(=O)OC ZINC000309250820 538110985 /nfs/dbraw/zinc/11/09/85/538110985.db2.gz ZQRVJBIUYODNDP-YPMHNXCESA-N 0 0 220.268 2.172 10 30 BEEERN CC(=O)OC/C=C(\C)CC[C@H]1OC1(C)C ZINC000016998178 188170410 /nfs/dbraw/zinc/17/04/10/188170410.db2.gz ICJOOVLSDYCSCJ-MXMFLMJRSA-N 0 0 212.289 2.453 10 30 BEEERN N#Cc1ccc(OC2CC2)cc1[N+](=O)[O-] ZINC000095736143 188146798 /nfs/dbraw/zinc/14/67/98/188146798.db2.gz CNVGSVUCVMUAFB-UHFFFAOYSA-N 0 0 204.185 2.008 10 30 BEEERN CC(C)(C)n1cc(C#N)c2ccc(N)nc21 ZINC000095937219 188147471 /nfs/dbraw/zinc/14/74/71/188147471.db2.gz MFFTYABLNAPSGZ-UHFFFAOYSA-N 0 0 214.272 2.245 10 30 BEEERN N#Cc1cnc2c(F)cc(Br)cn12 ZINC000095830788 188147805 /nfs/dbraw/zinc/14/78/05/188147805.db2.gz IKDKSIOZDGTXGR-UHFFFAOYSA-N 0 0 240.035 2.108 10 30 BEEERN C=CCCC(=O)N1CCC(Cn2cccn2)CC1 ZINC000126228230 353247588 /nfs/dbraw/zinc/24/75/88/353247588.db2.gz ZEGCZYIGRWOAAM-UHFFFAOYSA-N 0 0 247.342 2.088 10 30 BEEERN C=CCCCN(C)C(=O)NOCc1cccnc1 ZINC000126803390 353254612 /nfs/dbraw/zinc/25/46/12/353254612.db2.gz DVNGWRHWKXRHHH-UHFFFAOYSA-N 0 0 249.314 2.121 10 30 BEEERN C=C[C@@H](c1ccccc1)N1CCOCC1 ZINC000032600057 188181876 /nfs/dbraw/zinc/18/18/76/188181876.db2.gz KYCOHOVPRZPLEG-ZDUSSCGKSA-N 0 0 203.285 2.246 10 30 BEEERN CC(C)COCc1ccc(F)cc1C#CCO ZINC000049620945 188219129 /nfs/dbraw/zinc/21/91/29/188219129.db2.gz OMNXLGSCOQEKSB-UHFFFAOYSA-N 0 0 236.286 2.342 10 30 BEEERN C#CC[N+](C)([O-])[C@H](C)Cc1ccccc1 ZINC000077286986 188221811 /nfs/dbraw/zinc/22/18/11/188221811.db2.gz IVFPCTFUZXEDKP-PUODRLBUSA-N 0 0 203.285 2.195 10 30 in-vitro BEEERN C#Cc1cccc(NC(=O)[C@H]2OCC[C@H]2C)c1 ZINC000160266946 353259825 /nfs/dbraw/zinc/25/98/25/353259825.db2.gz BLWYXPKBTBVJTF-MFKMUULPSA-N 0 0 229.279 2.031 10 30 BEEERN C=CCc1cccc2[nH]c(NCCCO)nc21 ZINC000005283190 188224834 /nfs/dbraw/zinc/22/48/34/188224834.db2.gz YPIUARLFZIUZSZ-UHFFFAOYSA-N 0 0 231.299 2.086 10 30 BEEERN CCCCCCCC(=O)C=C(O)C(C)=O ZINC000122640889 538115046 /nfs/dbraw/zinc/11/50/46/538115046.db2.gz GTFWOLMRSKMKCS-UHFFFAOYSA-N 0 0 212.289 2.464 10 30 BEEERN C#CCN(C)c1cc(Cl)ccc1C#N ZINC000130179246 353345181 /nfs/dbraw/zinc/34/51/81/353345181.db2.gz MJNPDQYDQLJHIA-UHFFFAOYSA-N 0 0 204.660 2.281 10 30 BEEERN CC[C@@H](CC#N)NC(=O)c1ccc(C)nc1C ZINC000055330912 353352968 /nfs/dbraw/zinc/35/29/68/353352968.db2.gz XIVJGOGTOJKAKC-NSHDSACASA-N 0 0 231.299 2.121 10 30 BEEERN CCc1onc(C)c1C(=O)N(CC)C[C@@H](C)C#N ZINC000131326573 353372743 /nfs/dbraw/zinc/37/27/43/353372743.db2.gz VTGHZAYGTBNWEB-VIFPVBQESA-N 0 0 249.314 2.167 10 30 BEEERN C=C(C)COCCNc1ccnc(C2CC2)n1 ZINC000131986988 353374597 /nfs/dbraw/zinc/37/45/97/353374597.db2.gz CIWIQXVVSQOUFF-UHFFFAOYSA-N 0 0 233.315 2.359 10 30 BEEERN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2C#N)s1 ZINC000135529196 353565388 /nfs/dbraw/zinc/56/53/88/353565388.db2.gz VWSHZDMYHFJGGD-BXKDBHETSA-N 0 0 231.324 2.402 10 30 BEEERN C=CCCCN(C)C(=O)CCc1ccncc1 ZINC000135667768 353568238 /nfs/dbraw/zinc/56/82/38/353568238.db2.gz DUYFQXCUXCDVOK-UHFFFAOYSA-N 0 0 232.327 2.439 10 30 BEEERN CC#CCNC(=O)N(C)CCc1ccc(F)cc1 ZINC000136058054 353611531 /nfs/dbraw/zinc/61/15/31/353611531.db2.gz OYGCEUPEQOEUIT-UHFFFAOYSA-N 0 0 248.301 2.033 10 30 BEEERN N#Cc1cncc(-c2ccc(CO)cc2)c1 ZINC000079387193 188473580 /nfs/dbraw/zinc/47/35/80/188473580.db2.gz KTGDRRHKXOFRSM-UHFFFAOYSA-N 0 0 210.236 2.113 10 30 BEEERN N#CC1(c2cccc(O)c2)CCC(=O)CC1 ZINC000039268205 181031773 /nfs/dbraw/zinc/03/17/73/181031773.db2.gz BHNGPNBNTPBTTQ-UHFFFAOYSA-N 0 0 215.252 2.297 10 30 BEEERN N#CC1(NC(=O)c2cccs2)CCCC1 ZINC000040215066 181030884 /nfs/dbraw/zinc/03/08/84/181030884.db2.gz XHQKSINZBZZRSA-UHFFFAOYSA-N 0 0 220.297 2.314 10 30 BEEERN N#CC1(NCC(F)(F)F)CCCCC1 ZINC000037970837 181030906 /nfs/dbraw/zinc/03/09/06/181030906.db2.gz HXPAUAHNCLXUNI-UHFFFAOYSA-N 0 0 206.211 2.365 10 30 BEEERN N#CC1(NC(=O)c2ccccn2)CCCCCC1 ZINC000040221523 181030972 /nfs/dbraw/zinc/03/09/72/181030972.db2.gz BKRSQPVPHCQTIV-UHFFFAOYSA-N 0 0 243.310 2.428 10 30 BEEERN N#CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000198669756 181026108 /nfs/dbraw/zinc/02/61/08/181026108.db2.gz JXEIYKGBTQBYAZ-UHFFFAOYSA-N 0 0 214.146 2.167 10 30 BEEERN N#CC1(NC(=O)[C@H]2C[C@H]2c2ccco2)CCCC1 ZINC000063467093 181029639 /nfs/dbraw/zinc/02/96/39/181029639.db2.gz QHLSBTFXQZTZGC-MNOVXSKESA-N 0 0 244.294 2.336 10 30 BEEERN N#CCCN(C(=O)[C@@H]1CCCO1)c1ccccc1 ZINC000019506476 181037445 /nfs/dbraw/zinc/03/74/45/181037445.db2.gz HOVPLEVXXCVARI-ZDUSSCGKSA-N 0 0 244.294 2.112 10 30 BEEERN N#CC[C@@H](c1ccccc1)N1CCC[C@H](O)C1 ZINC000055019798 181044976 /nfs/dbraw/zinc/04/49/76/181044976.db2.gz PETPVEQHJPAYIN-KBPBESRZSA-N 0 0 230.311 2.098 10 30 BEEERN N#CC[C@@H](O)Cc1ccc(Br)cc1 ZINC000041283128 181045052 /nfs/dbraw/zinc/04/50/52/181045052.db2.gz SBKYZGIYTBBRPA-SNVBAGLBSA-N 0 0 240.100 2.266 10 30 BEEERN N#CCc1noc(-c2ccc(Cl)cc2)n1 ZINC000071522125 181050744 /nfs/dbraw/zinc/05/07/44/181050744.db2.gz URPWVDHGBKPEAW-UHFFFAOYSA-N 0 0 219.631 2.456 10 30 BEEERN N#CCc1noc(-c2c[nH]c3ccccc23)n1 ZINC000073641436 181051078 /nfs/dbraw/zinc/05/10/78/181051078.db2.gz MTRNDDCUPAYSGA-UHFFFAOYSA-N 0 0 224.223 2.284 10 30 BEEERN N#CCc1noc(COc2ccc(Cl)cc2)n1 ZINC000073641470 181051192 /nfs/dbraw/zinc/05/11/92/181051192.db2.gz NLEXOHGFZUGWJH-UHFFFAOYSA-N 0 0 249.657 2.368 10 30 BEEERN N#C[C@@H](Nc1cccc(F)c1)[C@@H]1CCOC1 ZINC000037936984 181057338 /nfs/dbraw/zinc/05/73/38/181057338.db2.gz VCJOAPQGLADVRN-BXKDBHETSA-N 0 0 220.247 2.166 10 30 BEEERN N#C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000063064204 181054680 /nfs/dbraw/zinc/05/46/80/181054680.db2.gz RVMBUIDRNPFHJA-ZETCQYMHSA-N 0 0 213.639 2.154 10 30 BEEERN N#C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000063064112 181055661 /nfs/dbraw/zinc/05/56/61/181055661.db2.gz JQFMVUIZUWFSCQ-VIFPVBQESA-N 0 0 245.200 2.260 10 30 BEEERN N#C[C@@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000040216138 181056648 /nfs/dbraw/zinc/05/66/48/181056648.db2.gz VAMOMNDIGKWTHW-CYBMUJFWSA-N 0 0 237.262 2.076 10 30 BEEERN N#C[C@@H](Nc1ccccc1F)[C@@H]1CCOC1 ZINC000037938888 181057021 /nfs/dbraw/zinc/05/70/21/181057021.db2.gz YTLJAEMAYYBCRE-BXKDBHETSA-N 0 0 220.247 2.166 10 30 BEEERN N#CCc1ccc(NC[C@H]2CCCO2)cc1 ZINC000049537677 181048680 /nfs/dbraw/zinc/04/86/80/181048680.db2.gz LYDDWNJVSSUATJ-CYBMUJFWSA-N 0 0 216.284 2.344 10 30 BEEERN N#C[C@H](N)COc1ccc(Cl)c(Cl)c1 ZINC000019666084 181064536 /nfs/dbraw/zinc/06/45/36/181064536.db2.gz DOKLZHVHXJZJFR-LURJTMIESA-N 0 0 231.082 2.223 10 30 BEEERN N#C[C@H](N)COc1cccc(Cl)c1Cl ZINC000019666072 181064809 /nfs/dbraw/zinc/06/48/09/181064809.db2.gz QGZRMSMNAMTKQP-LURJTMIESA-N 0 0 231.082 2.223 10 30 BEEERN N#C[C@H](N)CCSc1ccccc1F ZINC000062453341 181064857 /nfs/dbraw/zinc/06/48/57/181064857.db2.gz WKGXYCNCIJJQKT-MRVPVSSYSA-N 0 0 210.277 2.159 10 30 BEEERN N#C[C@H](N)c1cc(Cl)c2c(c1)OCCCO2 ZINC000036805053 181064905 /nfs/dbraw/zinc/06/49/05/181064905.db2.gz ZLAXZTUCBJHFSO-VIFPVBQESA-N 0 0 238.674 2.025 10 30 BEEERN N#C[C@H](NC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000037939847 181065608 /nfs/dbraw/zinc/06/56/08/181065608.db2.gz CSOJJQIEYLDIFX-STQMWFEESA-N 0 0 234.274 2.159 10 30 BEEERN N#C[C@H](NCC(F)(F)F)c1ccccc1 ZINC000037971141 181065692 /nfs/dbraw/zinc/06/56/92/181065692.db2.gz KEEIHBOOWWVRLI-VIFPVBQESA-N 0 0 214.190 2.403 10 30 BEEERN N#C[C@H](NCCO)c1ccc(Cl)c(Cl)c1 ZINC000053707815 181066031 /nfs/dbraw/zinc/06/60/31/181066031.db2.gz AGGOOYODMLKIRV-JTQLQIEISA-N 0 0 245.109 2.140 10 30 BEEERN N#C[C@H](NCCO)c1cccc(Cl)c1Cl ZINC000020177234 181066277 /nfs/dbraw/zinc/06/62/77/181066277.db2.gz NFNJKSUOGDMOAU-VIFPVBQESA-N 0 0 245.109 2.140 10 30 BEEERN N#C[C@@H](c1ccc2c(c1)OCO2)N1CCCC1 ZINC000019934699 181057819 /nfs/dbraw/zinc/05/78/19/181057819.db2.gz AXNHBGUUQZQXLN-NSHDSACASA-N 0 0 230.267 2.076 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1NCc1ccncc1 ZINC000054824567 181058169 /nfs/dbraw/zinc/05/81/69/181058169.db2.gz UBUNBPFPYPZZPQ-QWHCGFSZSA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NCc1cccnc1 ZINC000054824556 181058273 /nfs/dbraw/zinc/05/82/73/181058273.db2.gz JTRHAMTYEUIQSA-STQMWFEESA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000057526738 181058954 /nfs/dbraw/zinc/05/89/54/181058954.db2.gz GTYCZUAWACNSIZ-VIFPVBQESA-N 0 0 236.221 2.093 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(O)c1 ZINC000061891483 181059691 /nfs/dbraw/zinc/05/96/91/181059691.db2.gz PKEXJUSDNYQTCR-AAEUAGOBSA-N 0 0 216.284 2.174 10 30 BEEERN N#C[C@@H]1CCC[C@@H]2OC[C@@H](c3ccccc3)N21 ZINC000019418791 181059729 /nfs/dbraw/zinc/05/97/29/181059729.db2.gz GQHMNZGZXHZLEN-IHRRRGAJSA-N 0 0 228.295 2.462 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)Cc1ccsc1 ZINC000061888761 181060152 /nfs/dbraw/zinc/06/01/52/181060152.db2.gz YHSSCMCHWCQIGD-WDEREUQCSA-N 0 0 234.324 2.099 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000336415289 181060218 /nfs/dbraw/zinc/06/02/18/181060218.db2.gz SKYUTBSJRLBVGU-IONNQARKSA-N 0 0 237.690 2.090 10 30 BEEERN N#C[C@H](C(=O)[C@H]1CCCOC1)c1cccc(F)c1 ZINC000062235991 181062461 /nfs/dbraw/zinc/06/24/61/181062461.db2.gz GCDICTXDKLDVDY-AAEUAGOBSA-N 0 0 247.269 2.429 10 30 BEEERN N#C[C@H](C(=O)[C@@H]1CCCOC1)c1cccc(F)c1 ZINC000062235986 181062575 /nfs/dbraw/zinc/06/25/75/181062575.db2.gz GCDICTXDKLDVDY-YPMHNXCESA-N 0 0 247.269 2.429 10 30 BEEERN N#C[C@]1(Nc2cccc(F)c2)CN2CCC1CC2 ZINC000037937122 181071833 /nfs/dbraw/zinc/07/18/33/181071833.db2.gz LXCKOHLTCNJSEI-AWEZNQCLSA-N 0 0 245.301 2.226 10 30 BEEERN C#CCOc1nc2ccccc2cc1C=O ZINC000040177213 188574861 /nfs/dbraw/zinc/57/48/61/188574861.db2.gz COTMIXPWJWMIAG-UHFFFAOYSA-N 0 0 211.220 2.059 10 30 BEEERN N#C[C@H]1CCCN1C(=O)Cc1ccc(Cl)cc1 ZINC000057537395 181068731 /nfs/dbraw/zinc/06/87/31/181068731.db2.gz RJNXYZBGXMCAPS-GFCCVEGCSA-N 0 0 248.713 2.397 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)Cc1cccs1 ZINC000061888620 181068933 /nfs/dbraw/zinc/06/89/33/181068933.db2.gz ZUOJWTJBCJDFPF-KOLCDFICSA-N 0 0 234.324 2.099 10 30 BEEERN N#C[C@H]1CNc2c1cccc2Br ZINC000071486981 181069586 /nfs/dbraw/zinc/06/95/86/181069586.db2.gz HZGBWJRYAJTJTM-LURJTMIESA-N 0 0 223.073 2.482 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000054829751 181069992 /nfs/dbraw/zinc/06/99/92/181069992.db2.gz VOPXOSLUEGOMJH-DGCLKSJQSA-N 0 0 245.282 2.377 10 30 BEEERN N#Cc1cc(=O)c2cc(Cl)ccc2o1 ZINC000003608826 181081838 /nfs/dbraw/zinc/08/18/38/181081838.db2.gz DEVAUIJLYYGHJF-UHFFFAOYSA-N 0 0 205.600 2.318 10 30 BEEERN N#Cc1cc(Br)c(OC2CC2)cn1 ZINC000095736521 181081850 /nfs/dbraw/zinc/08/18/50/181081850.db2.gz SOYKAEKPXJPIMU-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1c(F)cccc1Nc1cc[nH+]cc1N ZINC000036157289 181077667 /nfs/dbraw/zinc/07/76/67/181077667.db2.gz HEUQZIFWUGYQNK-UHFFFAOYSA-N 0 0 228.230 2.418 10 30 BEEERN N#Cc1c(N)nsc1NCc1ccccc1 ZINC000034240155 181078518 /nfs/dbraw/zinc/07/85/18/181078518.db2.gz WARJFVYAXWOUBA-UHFFFAOYSA-N 0 0 230.296 2.209 10 30 BEEERN N#Cc1c[nH]c(-c2nc(CC3CCC3)no2)c1 ZINC000285056281 181079282 /nfs/dbraw/zinc/07/92/82/181079282.db2.gz HXNHRCUTRSFXCQ-UHFFFAOYSA-N 0 0 228.255 2.279 10 30 BEEERN N#Cc1cc(-c2ccc(CO)cc2)ccc1O ZINC000065341337 181081035 /nfs/dbraw/zinc/08/10/35/181081035.db2.gz YZUQUTJSJGDQNL-UHFFFAOYSA-N 0 0 225.247 2.423 10 30 BEEERN N#Cc1cc(C(F)(F)F)cc(N)c1F ZINC000075926383 181085051 /nfs/dbraw/zinc/08/50/51/181085051.db2.gz MKEMMBRQSPIACS-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN N#Cc1cc(Cl)ccc1-n1cc([N+](=O)[O-])cn1 ZINC000052859794 181086088 /nfs/dbraw/zinc/08/60/88/181086088.db2.gz FFZWPRDMXKHRDB-UHFFFAOYSA-N 0 0 248.629 2.306 10 30 BEEERN N#Cc1cc(F)ccc1N[C@@H]1CCC[C@@H]1O ZINC000131901139 181088068 /nfs/dbraw/zinc/08/80/68/181088068.db2.gz PGQOKVXRAWLXIY-NEPJUHHUSA-N 0 0 220.247 2.023 10 30 BEEERN N#Cc1cc(N)ccc1OCCc1ccccn1 ZINC000040887575 181089001 /nfs/dbraw/zinc/08/90/01/181089001.db2.gz GXFHWKKLPMIHJL-UHFFFAOYSA-N 0 0 239.278 2.157 10 30 BEEERN N#Cc1cc(N)ccc1Sc1ncccn1 ZINC000041021742 181089051 /nfs/dbraw/zinc/08/90/51/181089051.db2.gz ZZKYHEQGCRCMGC-UHFFFAOYSA-N 0 0 228.280 2.082 10 30 BEEERN N#Cc1cc(N)cnc1OCc1cccs1 ZINC000049584489 181089975 /nfs/dbraw/zinc/08/99/75/181089975.db2.gz JEXZCOYCYLNXND-UHFFFAOYSA-N 0 0 231.280 2.176 10 30 BEEERN N#Cc1cc(N)cnc1OCc1ccccc1 ZINC000037759225 181090018 /nfs/dbraw/zinc/09/00/18/181090018.db2.gz NNXWEEMQSLZDHZ-UHFFFAOYSA-N 0 0 225.251 2.114 10 30 BEEERN N#Cc1cc(Nc2ccc(N)cn2)ccc1F ZINC000051636088 181091405 /nfs/dbraw/zinc/09/14/05/181091405.db2.gz GNRLMLSXBZRWTK-UHFFFAOYSA-N 0 0 228.230 2.418 10 30 BEEERN N#Cc1ccc(NC[C@@H]2CCC[C@@H]2O)cc1 ZINC000084233668 181122218 /nfs/dbraw/zinc/12/22/18/181122218.db2.gz LAQZMDGNVPUEJD-AAEUAGOBSA-N 0 0 216.284 2.131 10 30 BEEERN N#Cc1ccc(F)c(C(=O)C(F)(F)F)c1 ZINC000100197620 181113182 /nfs/dbraw/zinc/11/31/82/181113182.db2.gz GIDXWIOMEOEFJG-UHFFFAOYSA-N 0 0 217.121 2.442 10 30 BEEERN N#Cc1ccc(F)c(CN2CCCCC2=O)c1 ZINC000020296509 181113317 /nfs/dbraw/zinc/11/33/17/181113317.db2.gz UQBHIGUTNREPHB-UHFFFAOYSA-N 0 0 232.258 2.210 10 30 BEEERN N#Cc1ccc(NC(=O)N2CC3(CC3)C2)cc1F ZINC000333186872 181118683 /nfs/dbraw/zinc/11/86/83/181118683.db2.gz NBJWVJQSTBSGQK-UHFFFAOYSA-N 0 0 245.257 2.325 10 30 BEEERN N#Cc1ccc(N[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000168324508 181124629 /nfs/dbraw/zinc/12/46/29/181124629.db2.gz PXKVJTKWVWWKEA-NEPJUHHUSA-N 0 0 220.247 2.023 10 30 BEEERN N#Cc1ccc(Sc2ncccn2)c(N)c1 ZINC000035675163 181129800 /nfs/dbraw/zinc/12/98/00/181129800.db2.gz MLWVJVLFQMGNGF-UHFFFAOYSA-N 0 0 228.280 2.082 10 30 BEEERN N#Cc1ccc(Sc2nncs2)c(N)c1 ZINC000035675157 181130179 /nfs/dbraw/zinc/13/01/79/181130179.db2.gz TXFIMPVZIJMEOA-UHFFFAOYSA-N 0 0 234.309 2.143 10 30 BEEERN N#Cc1cccc(N2C[C@H]3CC=CC[C@@H]3C2)n1 ZINC000301453729 181140574 /nfs/dbraw/zinc/14/05/74/181140574.db2.gz YEWQRDILSZWUHL-VXGBXAGGSA-N 0 0 225.295 2.356 10 30 BEEERN N#Cc1cccc(NC[C@@H]2CCOC2)c1 ZINC000019922322 181141375 /nfs/dbraw/zinc/14/13/75/181141375.db2.gz PZVOAZVSHVDJTP-NSHDSACASA-N 0 0 202.257 2.007 10 30 BEEERN N#Cc1ccccc1C[C@H]1COCC[C@@H]1S ZINC000095078977 181146902 /nfs/dbraw/zinc/14/69/02/181146902.db2.gz YEUGWCXKXBCYCQ-STQMWFEESA-N 0 0 233.336 2.436 10 30 BEEERN N#Cc1cccnc1-n1cnc2ccccc21 ZINC000008778603 181151407 /nfs/dbraw/zinc/15/14/07/181151407.db2.gz ACYGUPOZMBNZKZ-UHFFFAOYSA-N 0 0 220.235 2.292 10 30 BEEERN N#Cc1cccnc1-c1cncc(Cl)n1 ZINC000072204445 181150784 /nfs/dbraw/zinc/15/07/84/181150784.db2.gz GMWMYHIBICBOAD-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#Cc1cccnc1NCc1cscn1 ZINC000050932868 181152855 /nfs/dbraw/zinc/15/28/55/181152855.db2.gz CIPCNPZMVIOMRV-UHFFFAOYSA-N 0 0 216.269 2.022 10 30 BEEERN N#Cc1cccnc1Sc1ccccn1 ZINC000019846610 181154244 /nfs/dbraw/zinc/15/42/44/181154244.db2.gz SXVIGPUDVRNKIP-UHFFFAOYSA-N 0 0 213.265 2.499 10 30 BEEERN N#Cc1cccnc1N[C@H]1COc2ccccc21 ZINC000058545102 181154329 /nfs/dbraw/zinc/15/43/29/181154329.db2.gz CHKHHPMOPMGAEP-LBPRGKRZSA-N 0 0 237.262 2.499 10 30 BEEERN C=C[C@H]([NH2+]C)c1ccc(Br)o1 ZINC000130578759 363385409 /nfs/dbraw/zinc/38/54/09/363385409.db2.gz YIJYDCQEBGWREQ-LURJTMIESA-N 0 0 216.078 2.489 10 30 BEEERN N#Cc1ccnc(N2CCCCCCC2)n1 ZINC000231896441 181155655 /nfs/dbraw/zinc/15/56/55/181155655.db2.gz FOAYSRPPDVXUDR-UHFFFAOYSA-N 0 0 216.288 2.119 10 30 BEEERN N#Cc1ccnc(N2CC[C@H]3CCCC[C@H]32)n1 ZINC000296754621 181154961 /nfs/dbraw/zinc/15/49/61/181154961.db2.gz KXCQCBLFOCQFLH-ZYHUDNBSSA-N 0 0 228.299 2.117 10 30 BEEERN N#Cc1coc2c(Cl)cccc2c1=O ZINC000036150011 181165310 /nfs/dbraw/zinc/16/53/10/181165310.db2.gz CXSJBOQUAAQUFQ-UHFFFAOYSA-N 0 0 205.600 2.318 10 30 BEEERN N#Cc1cnn2c1nc1c(c2Cl)CCCC1 ZINC000071475590 181165315 /nfs/dbraw/zinc/16/53/15/181165315.db2.gz MVBGKIHTVSUQMB-UHFFFAOYSA-N 0 0 232.674 2.133 10 30 BEEERN N#Cc1csc(-c2cccc(N)c2)n1 ZINC000082531466 181165531 /nfs/dbraw/zinc/16/55/31/181165531.db2.gz FSONYPSZYIYSND-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N#Cc1nccnc1N1CCC[C@@H]1c1ccco1 ZINC000116262249 181172629 /nfs/dbraw/zinc/17/26/29/181172629.db2.gz RPRYPOLHBYGQAT-LLVKDONJSA-N 0 0 240.266 2.283 10 30 BEEERN N#Cc1sc(-c2ccccc2)nc1N ZINC000039242087 181177958 /nfs/dbraw/zinc/17/79/58/181177958.db2.gz BKISRUCZGUAJCG-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN CCN(CC)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000020363698 355219914 /nfs/dbraw/zinc/21/99/14/355219914.db2.gz KWUYNMVQTZXQDY-LLVKDONJSA-N 0 0 246.310 2.194 10 30 BEEERN CC(C)c1nccnc1N1CCC(C#N)CC1 ZINC000413097857 191356063 /nfs/dbraw/zinc/35/60/63/191356063.db2.gz WUOGACGTKHNEQR-UHFFFAOYSA-N 0 0 230.315 2.340 10 30 BEEERN N/C(CSc1ccccc1Cl)=N\O ZINC000019847791 181184624 /nfs/dbraw/zinc/18/46/24/181184624.db2.gz RVWZODYYKCCNJK-UHFFFAOYSA-N 0 0 216.693 2.179 10 30 BEEERN N/C(=N\O)c1cccnc1Oc1cccc(F)c1 ZINC000019474001 181181752 /nfs/dbraw/zinc/18/17/52/181181752.db2.gz QAIFHKLARAADCO-UHFFFAOYSA-N 0 0 247.229 2.108 10 30 BEEERN N/C(=N\O)c1ccccc1COCc1ccco1 ZINC000019488649 181181757 /nfs/dbraw/zinc/18/17/57/181181757.db2.gz JFHNQYHJZISNBY-UHFFFAOYSA-N 0 0 246.266 2.091 10 30 BEEERN N/C(CCCSc1ccccc1)=N\O ZINC000019847695 181183149 /nfs/dbraw/zinc/18/31/49/181183149.db2.gz YWTOFUGDRNWNOW-UHFFFAOYSA-N 0 0 210.302 2.305 10 30 BEEERN C=C[C@](C)(CC[C@@H]1OC1(C)C)OC(C)=O ZINC000005166474 355355693 /nfs/dbraw/zinc/35/56/93/355355693.db2.gz SVXOLLYBCSDBKK-CMPLNLGQSA-N 0 0 212.289 2.452 10 30 BEEERN N#CCc1cc(N)ccc1Br ZINC000168385874 355713262 /nfs/dbraw/zinc/71/32/62/355713262.db2.gz ZIUWDSYSHNAKGN-UHFFFAOYSA-N 0 0 211.062 2.097 10 30 BEEERN C=CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109079953 355849277 /nfs/dbraw/zinc/84/92/77/355849277.db2.gz FJLHBDWTHWUIBK-ZJUUUORDSA-N 0 0 237.249 2.371 10 30 BEEERN COC(=O)C#C[C@@H]1CCCc2sccc21 ZINC000168498148 355857782 /nfs/dbraw/zinc/85/77/82/355857782.db2.gz HHLWVQOOQWLMGO-VIFPVBQESA-N 0 0 220.293 2.344 10 30 BEEERN Cc1ccc(S(=O)(=O)OC/C=C/CF)cc1 ZINC000115531583 355858846 /nfs/dbraw/zinc/85/88/46/355858846.db2.gz LDEZKADODJSKQL-NSCUHMNNSA-N 0 0 244.287 2.226 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)c1ccnc(C2CC2)c1 ZINC000329290230 355912054 /nfs/dbraw/zinc/91/20/54/355912054.db2.gz QNKCFOXAYJWEGH-BXKDBHETSA-N 0 0 246.310 2.441 10 30 BEEERN C[C@H]1C(=O)CC[C@H]1CC(=O)N[C@H]1CCO[C@H]1C ZINC000330011725 356159995 /nfs/dbraw/zinc/15/99/95/356159995.db2.gz JJSFYNDXUSDGFP-RCWTZXSCSA-N 0 0 239.315 2.126 10 30 BEEERN Cc1cc(NCC2CC2)c(C#N)c(C)n1 ZINC000087975042 356384934 /nfs/dbraw/zinc/38/49/34/356384934.db2.gz RMKKKTPNZHNMCQ-UHFFFAOYSA-N 0 0 201.273 2.392 10 30 BEEERN Cc1oc(C#N)cc1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000336155355 134105699 /nfs/dbraw/zinc/10/56/99/134105699.db2.gz BABFJAYCOCLPEP-CABZTGNLSA-N 0 0 230.267 2.084 10 30 BEEERN N#CCc1cn(C2CC2)nc1C(F)(F)F ZINC000205590661 356463217 /nfs/dbraw/zinc/46/32/17/356463217.db2.gz SJZZJKDXIGHFDR-UHFFFAOYSA-N 0 0 215.178 2.303 10 30 BEEERN Cc1nnsc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000384211364 356481361 /nfs/dbraw/zinc/48/13/61/356481361.db2.gz CNBLUKGCKNMDIQ-NXEZZACHSA-N 0 0 236.344 2.019 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)NCC1=CCCCC1 ZINC000333594051 134118542 /nfs/dbraw/zinc/11/85/42/134118542.db2.gz LNLWQDCFTRFEFE-CHWSQXEVSA-N 0 0 247.342 2.478 10 30 BEEERN COCc1ccc(CN[C@@H]2CCC[C@H]2C#N)o1 ZINC000350388122 366276015 /nfs/dbraw/zinc/27/60/15/366276015.db2.gz GROOHAIRCCEFGM-GXFFZTMASA-N 0 0 234.299 2.208 10 30 BEEERN Cc1cc(OC(F)(F)F)ncc1CC#N ZINC000238496833 363490157 /nfs/dbraw/zinc/49/01/57/363490157.db2.gz RYWRJIUZNSEIJB-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN COc1cc(C)c2[nH]c(=O)c(C#N)cc2c1 ZINC000675067570 538495006 /nfs/dbraw/zinc/49/50/06/538495006.db2.gz IZOQOISYLVONON-UHFFFAOYSA-N 0 0 214.224 2.129 10 30 BEEERN Cc1ccc(N)cc1C#CC(=O)OC(C)(C)C ZINC000675078088 538515564 /nfs/dbraw/zinc/51/55/64/538515564.db2.gz MHHVWUALGYHVIU-UHFFFAOYSA-N 0 0 231.295 2.270 10 30 BEEERN Cc1nn(CCC(C)(C)C#N)c(C)c1N ZINC000083638970 538515592 /nfs/dbraw/zinc/51/55/92/538515592.db2.gz FCIIERGJIHZGJE-UHFFFAOYSA-N 0 0 206.293 2.022 10 30 BEEERN C#Cc1ccc(NS(=O)(=O)C2CCCC2)cc1 ZINC000675079943 538519302 /nfs/dbraw/zinc/51/93/02/538519302.db2.gz YWVLWHMBICCUQV-UHFFFAOYSA-N 0 0 249.335 2.352 10 30 BEEERN C#CCCCCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302021243 134157284 /nfs/dbraw/zinc/15/72/84/134157284.db2.gz FLMCVOYGNRVLEI-UHFFFAOYSA-N 0 0 248.282 2.303 10 30 BEEERN CCOC(=O)[C@@H]1O[C@@]12CCCC[C@H]2CC ZINC000084324808 538532128 /nfs/dbraw/zinc/53/21/28/538532128.db2.gz BXRADPDXYDLRHB-JFGNBEQYSA-N 0 0 212.289 2.287 10 30 BEEERN CCOC(=O)[C@@H]1O[C@]12CCCC[C@H]2CC ZINC000084324804 538532791 /nfs/dbraw/zinc/53/27/91/538532791.db2.gz BXRADPDXYDLRHB-SCVCMEIPSA-N 0 0 212.289 2.287 10 30 BEEERN CCCC[C@@]1(CC)O[C@@]1(C)C(=O)OC ZINC000085658139 538545932 /nfs/dbraw/zinc/54/59/32/538545932.db2.gz WJSQEBBVJMXUFW-WDEREUQCSA-N 0 0 200.278 2.287 10 30 BEEERN CC[C@]1(C(C)C)O[C@]1(C(=O)OC)C(C)C ZINC000086182500 538550418 /nfs/dbraw/zinc/55/04/18/538550418.db2.gz ATEYVCSQGYCGIW-NEPJUHHUSA-N 0 0 214.305 2.389 10 30 BEEERN CCC1(CC)O[C@@]1(C(=O)OC)C(C)C ZINC000086182641 538551678 /nfs/dbraw/zinc/55/16/78/538551678.db2.gz NTEKLDGFXLKTOZ-LLVKDONJSA-N 0 0 200.278 2.143 10 30 BEEERN COC(=O)[C@H]1O[C@@]12CCCC21CCCCC1 ZINC000312996155 538572675 /nfs/dbraw/zinc/57/26/75/538572675.db2.gz RSLJORHLYKLZMC-MFKMUULPSA-N 0 0 224.300 2.431 10 30 BEEERN C[C@H]1CC[C@H](C(=O)Nc2ccc(CC#N)cc2)O1 ZINC000124032783 358512352 /nfs/dbraw/zinc/51/23/52/358512352.db2.gz OYIRAZJZLCHPHP-GXFFZTMASA-N 0 0 244.294 2.259 10 30 BEEERN C=CCSc1nnc(C2CCC2)n1C ZINC000041360000 357022977 /nfs/dbraw/zinc/02/29/77/357022977.db2.gz HKMUYQAYKWMOTR-UHFFFAOYSA-N 0 0 209.318 2.361 10 30 BEEERN CCn1ccnc1CN[C@H]1CCCC[C@H]1C#N ZINC000385257177 357034226 /nfs/dbraw/zinc/03/42/26/357034226.db2.gz XBAWUUDPTMFJGU-RYUDHWBXSA-N 0 0 232.331 2.075 10 30 BEEERN C#CC(=O)c1cc2c(s1)CCSC2 ZINC000168758180 357218965 /nfs/dbraw/zinc/21/89/65/357218965.db2.gz FMMYUGVXKFAAHD-UHFFFAOYSA-N 0 0 208.307 2.353 10 30 BEEERN N#Cc1ccccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000230686526 357549686 /nfs/dbraw/zinc/54/96/86/357549686.db2.gz LCXXBRZRPWSQNX-TZMCWYRMSA-N 0 0 225.295 2.340 10 30 BEEERN N#Cc1ccccc1CN[C@@H]1CCC[C@H]1C#N ZINC000230686533 357549987 /nfs/dbraw/zinc/54/99/87/357549987.db2.gz LCXXBRZRPWSQNX-GXTWGEPZSA-N 0 0 225.295 2.340 10 30 BEEERN CC(C)n1cc(CN[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000230686672 357550121 /nfs/dbraw/zinc/55/01/21/357550121.db2.gz SXKMORCNBNDWEN-CHWSQXEVSA-N 0 0 232.331 2.246 10 30 BEEERN CCc1occc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000234164470 357775997 /nfs/dbraw/zinc/77/59/97/357775997.db2.gz LMCOUCJFEMGOFI-MWLCHTKSSA-N 0 0 232.283 2.264 10 30 BEEERN Cc1ccc(-c2nnc(C#N)s2)cc1 ZINC000034317634 357909792 /nfs/dbraw/zinc/90/97/92/357909792.db2.gz OOAWMRBDBAEJHZ-UHFFFAOYSA-N 0 0 201.254 2.385 10 30 BEEERN CC#CCNC(=O)CCc1ccccc1OCC ZINC000121702585 134235063 /nfs/dbraw/zinc/23/50/63/134235063.db2.gz ZTMOJIFZIBYSCX-UHFFFAOYSA-N 0 0 245.322 2.157 10 30 BEEERN Cc1cccc(C)c1C(=O)N[C@@H](C#N)C1CC1 ZINC000218710991 134259558 /nfs/dbraw/zinc/25/95/58/134259558.db2.gz FKSNGCMYOCTNQD-LBPRGKRZSA-N 0 0 228.295 2.335 10 30 BEEERN C=C[C@H](C)NC(=O)c1cnccc1Cl ZINC000160743577 358226502 /nfs/dbraw/zinc/22/65/02/358226502.db2.gz UJGPVJIDSHYOHV-ZETCQYMHSA-N 0 0 210.664 2.039 10 30 BEEERN C#CCOCC#Cc1ccc(Cl)cc1 ZINC000584613503 358277464 /nfs/dbraw/zinc/27/74/64/358277464.db2.gz NPZWHAAYNIWZDD-UHFFFAOYSA-N 0 0 204.656 2.341 10 30 BEEERN N#CCC(=O)OCCCCc1ccccc1 ZINC000584591521 358249698 /nfs/dbraw/zinc/24/96/98/358249698.db2.gz SXGXKWMQBWHFSA-UHFFFAOYSA-N 0 0 217.268 2.466 10 30 BEEERN C=CCOC(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000584591593 358249724 /nfs/dbraw/zinc/24/97/24/358249724.db2.gz IIRPUQFKUKQCFL-UHFFFAOYSA-N 0 0 221.212 2.246 10 30 BEEERN C/C(=N\[C@H](CO)c1ccccc1)C(F)F ZINC000584594864 358252012 /nfs/dbraw/zinc/25/20/12/358252012.db2.gz CSJCPCFNHOIUEU-WWNSAXIVSA-N 0 0 213.227 2.446 10 30 BEEERN O[C@H](C/N=C/c1ccncc1)c1ccccc1 ZINC000584596004 358254070 /nfs/dbraw/zinc/25/40/70/358254070.db2.gz IBIBHXYUBGAGHA-DWKHYPNZSA-N 0 0 226.279 2.234 10 30 BEEERN CC(=N[C@@H](C)CCc1ccccc1)NC#N ZINC000584601858 358259350 /nfs/dbraw/zinc/25/93/50/358259350.db2.gz PXVVKBRRTUNFKJ-NSHDSACASA-N 0 0 215.300 2.497 10 30 BEEERN CC(=N[C@H](C)CCc1ccccc1)NC#N ZINC000584601837 358259423 /nfs/dbraw/zinc/25/94/23/358259423.db2.gz PXVVKBRRTUNFKJ-LLVKDONJSA-N 0 0 215.300 2.497 10 30 BEEERN C#C[C@@](O)(c1cccc(C)c1)C1(C#N)CC1 ZINC000584602842 358260540 /nfs/dbraw/zinc/26/05/40/358260540.db2.gz DSQLYLWHQNTVRP-CQSZACIVSA-N 0 0 211.264 2.120 10 30 BEEERN C#C[C@@](O)(c1ccc(C)cc1)C1(C#N)CC1 ZINC000584603424 358261819 /nfs/dbraw/zinc/26/18/19/358261819.db2.gz VVACGKMVZGSQFM-CQSZACIVSA-N 0 0 211.264 2.120 10 30 BEEERN C#C[C@@](O)(C1CCCCC1)C1(C#N)CC1 ZINC000584603481 358261945 /nfs/dbraw/zinc/26/19/45/358261945.db2.gz YRWOGZACALWYJE-CYBMUJFWSA-N 0 0 203.285 2.235 10 30 BEEERN C#C[C@@](OC)(c1ccccc1)C1(C#N)CC1 ZINC000584603475 358262042 /nfs/dbraw/zinc/26/20/42/358262042.db2.gz YFUGSBMCDKUWOD-CQSZACIVSA-N 0 0 211.264 2.465 10 30 BEEERN CCOC(=O)CCCCCO/N=C(\C)OCC ZINC000584604869 358263791 /nfs/dbraw/zinc/26/37/91/358263791.db2.gz WPYPOQXCEAICSU-ACCUITESSA-N 0 0 245.319 2.496 10 30 BEEERN C=C(C(=O)OC)[C@@H](F)c1cccc(OC)c1 ZINC000584606812 358266483 /nfs/dbraw/zinc/26/64/83/358266483.db2.gz XTWPLPVNUXIZEA-LLVKDONJSA-N 0 0 224.231 2.435 10 30 BEEERN CSC(=S)N/N=C(\C)c1ccncc1 ZINC000584606891 358266660 /nfs/dbraw/zinc/26/66/60/358266660.db2.gz LZNNGDARKZDRHK-YRNVUSSQSA-N 0 0 225.342 2.043 10 30 BEEERN CC(C)CCC[C@H](C)OS(C)(=O)=O ZINC000584607526 358268176 /nfs/dbraw/zinc/26/81/76/358268176.db2.gz NJUASVPCJFJZRZ-VIFPVBQESA-N 0 0 208.323 2.177 10 30 BEEERN C/C(=C\COS(C)(=O)=O)c1ccccc1 ZINC000584609629 358271086 /nfs/dbraw/zinc/27/10/86/358271086.db2.gz LTTAMTGZQOVFCS-CSKARUKUSA-N 0 0 226.297 2.066 10 30 BEEERN C/C=C(/OC(C)=O)C(=O)c1ccccc1 ZINC000584609642 358271092 /nfs/dbraw/zinc/27/10/92/358271092.db2.gz STKZHNKKTZEDPG-QDEBKDIKSA-N 0 0 204.225 2.336 10 30 BEEERN COc1cccc(OC)c1/C=C/C(C)=O ZINC000584609577 358271280 /nfs/dbraw/zinc/27/12/80/358271280.db2.gz IXGRNXQTTOQSLH-BQYQJAHWSA-N 0 0 206.241 2.306 10 30 BEEERN C#CCCC[S@](=O)c1ccc([N+](=O)[O-])cc1 ZINC000584620538 358287326 /nfs/dbraw/zinc/28/73/26/358287326.db2.gz UOGQXARWKUPLDW-INIZCTEOSA-N 0 0 237.280 2.116 10 30 BEEERN CCCN1C(=O)CC/C1=C/C(=O)C(F)(F)F ZINC000584621123 358288560 /nfs/dbraw/zinc/28/85/60/358288560.db2.gz ZADGVZJSTBXMOE-SREVYHEPSA-N 0 0 235.205 2.034 10 30 BEEERN Cc1nc(Cl)cc(N=NCc2ccco2)n1 ZINC000584625693 358294979 /nfs/dbraw/zinc/29/49/79/358294979.db2.gz ZWMUJBBBGZOBLD-WUXMJOGZSA-N 0 0 236.662 2.477 10 30 BEEERN COCc1ccc2c(c1)CC[C@@H](C#N)C2 ZINC000584626388 358295725 /nfs/dbraw/zinc/29/57/25/358295725.db2.gz ZWOXPXFQNKFJSN-SNVBAGLBSA-N 0 0 201.269 2.461 10 30 BEEERN C[C@@H](C=O)CC1=Cc2ccccc2C(=O)C1=O ZINC000584626742 358296226 /nfs/dbraw/zinc/29/62/26/358296226.db2.gz BIAITRWQCGXQBX-SECBINFHSA-N 0 0 228.247 2.061 10 30 BEEERN CC(C)N=C(CC(F)F)C(=O)C(F)F ZINC000584627052 358296646 /nfs/dbraw/zinc/29/66/46/358296646.db2.gz HHBBMUGAISGKHH-WLRTZDKTSA-N 0 0 213.174 2.325 10 30 BEEERN O=C(OC1=CC(=O)CC1)c1ccccc1F ZINC000584630570 358300293 /nfs/dbraw/zinc/30/02/93/358300293.db2.gz XCLWKAJADUYHTD-UHFFFAOYSA-N 0 0 220.199 2.229 10 30 BEEERN CC(C)=C=NS(=O)(=O)c1ccc(C)cc1 ZINC000584658201 358310115 /nfs/dbraw/zinc/31/01/15/358310115.db2.gz WCYUXPYHTWWVQB-UHFFFAOYSA-N 0 0 223.297 2.320 10 30 BEEERN N#Cc1cc2ccccc2n1-c1ncccn1 ZINC000584644203 358329220 /nfs/dbraw/zinc/32/92/20/358329220.db2.gz YXZQSSOTOTWZLW-UHFFFAOYSA-N 0 0 220.235 2.292 10 30 BEEERN C=CC[C@](Cl)(C(C)=O)C(=O)OC(C)(C)C ZINC000584643849 358329246 /nfs/dbraw/zinc/32/92/46/358329246.db2.gz SAUQZNJLQUQBNI-NSHDSACASA-N 0 0 232.707 2.471 10 30 BEEERN C=CC[C@@](Cl)(C(C)=O)C(=O)OC(C)(C)C ZINC000584643848 358329409 /nfs/dbraw/zinc/32/94/09/358329409.db2.gz SAUQZNJLQUQBNI-LLVKDONJSA-N 0 0 232.707 2.471 10 30 BEEERN CCOC(=O)OC1=CC(=O)CC(C)(C)C1 ZINC000584636733 358321623 /nfs/dbraw/zinc/32/16/23/358321623.db2.gz YBLBVQJKZQDDSS-UHFFFAOYSA-N 0 0 212.245 2.433 10 30 BEEERN Cc1cc2cc(C#N)c(F)cc2c(=O)[nH]1 ZINC000584639794 358325795 /nfs/dbraw/zinc/32/57/95/358325795.db2.gz RJQOKRSFCLEHTN-UHFFFAOYSA-N 0 0 202.188 2.260 10 30 BEEERN CCC[C@H](C#N)NC(=O)[C@H]1CCC[C@@H]1C ZINC000230063321 358391701 /nfs/dbraw/zinc/39/17/01/358391701.db2.gz IADIBBZPDOEUDA-AXFHLTTASA-N 0 0 208.305 2.231 10 30 BEEERN Cc1cc([C@@H]2CN(CC#N)CCO2)ccc1F ZINC000128880493 358582080 /nfs/dbraw/zinc/58/20/80/358582080.db2.gz MMEGOBNOVKYGJG-ZDUSSCGKSA-N 0 0 234.274 2.031 10 30 BEEERN CN(CCC#N)CC(=O)c1c[nH]c2ccccc21 ZINC000048013421 358611374 /nfs/dbraw/zinc/61/13/74/358611374.db2.gz VIMPEOHQCRUEHY-UHFFFAOYSA-N 0 0 241.294 2.196 10 30 BEEERN N#C[C@@]1(CC=C(Cl)Cl)CCCN1 ZINC000403328057 358589691 /nfs/dbraw/zinc/58/96/91/358589691.db2.gz DVQOFAOOBBXMOC-QMMMGPOBSA-N 0 0 205.088 2.341 10 30 BEEERN C#CC[C@@H](C)Nc1ncnc2c1CCCC2 ZINC000131603714 358687232 /nfs/dbraw/zinc/68/72/32/358687232.db2.gz BZCQKZPMOAYVBN-SNVBAGLBSA-N 0 0 215.300 2.179 10 30 BEEERN CCn1ccnc1CNc1ccc(C#N)cc1 ZINC000051920907 358767342 /nfs/dbraw/zinc/76/73/42/358767342.db2.gz XGZWGRHOSDSRSF-UHFFFAOYSA-N 0 0 226.283 2.387 10 30 BEEERN CCc1nc(CN[C@@H]2CCC[C@@H]2C#N)cs1 ZINC000132442855 358722898 /nfs/dbraw/zinc/72/28/98/358722898.db2.gz IFBZCXINVRQSON-MWLCHTKSSA-N 0 0 235.356 2.487 10 30 BEEERN Cc1ccc(CCC(=O)N[C@H](C)CC#N)cc1 ZINC000052945871 358801908 /nfs/dbraw/zinc/80/19/08/358801908.db2.gz ASRYBCQUWURYSW-GFCCVEGCSA-N 0 0 230.311 2.346 10 30 BEEERN Cc1ccc(CCC(=O)N(C)[C@@H](C)C#N)cc1 ZINC000052945868 358802335 /nfs/dbraw/zinc/80/23/35/358802335.db2.gz XGQBXCHPFBNCJD-LBPRGKRZSA-N 0 0 230.311 2.298 10 30 BEEERN Cc1ccncc1CN[C@H]1CCC[C@H]1C#N ZINC000135459875 358839238 /nfs/dbraw/zinc/83/92/38/358839238.db2.gz DRPDFAMDYGSMKQ-AAEUAGOBSA-N 0 0 215.300 2.172 10 30 BEEERN C[C@@H](C#N)CNC(=O)c1cccc2ncccc21 ZINC000061415177 358933973 /nfs/dbraw/zinc/93/39/73/358933973.db2.gz GGTZVZPKWTYTDE-JTQLQIEISA-N 0 0 239.278 2.124 10 30 BEEERN C#CC[C@@H](C)Nc1nnc(Br)s1 ZINC000231146706 358995486 /nfs/dbraw/zinc/99/54/86/358995486.db2.gz VDXRWGQCDYDEJZ-RXMQYKEDSA-N 0 0 246.133 2.124 10 30 BEEERN Cc1cccnc1CN[C@H]1CCC[C@@H]1C#N ZINC000070908711 359065134 /nfs/dbraw/zinc/06/51/34/359065134.db2.gz HVYOSIHDHVDDIM-NEPJUHHUSA-N 0 0 215.300 2.172 10 30 BEEERN C=CCNC(=O)[C@@H](C)N1CCC[C@H]1c1ccco1 ZINC000247557428 359233833 /nfs/dbraw/zinc/23/38/33/359233833.db2.gz UFLAGPSKIUEBKV-NEPJUHHUSA-N 0 0 248.326 2.107 10 30 BEEERN N#Cc1cnc(CC2CCC2)nc1Cl ZINC000306205256 359297168 /nfs/dbraw/zinc/29/71/68/359297168.db2.gz OHBYXSKXMGBPCM-UHFFFAOYSA-N 0 0 207.664 2.344 10 30 BEEERN N#Cc1nc(OC(F)F)ccc1Br ZINC000306227758 359363989 /nfs/dbraw/zinc/36/39/89/359363989.db2.gz DSOCCFBRWVEBKU-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN CO[C@@H](C=O)c1cc(F)cc(Cl)c1 ZINC000306250693 359455565 /nfs/dbraw/zinc/45/55/65/359455565.db2.gz YPXPOYSDPHCUOM-VIFPVBQESA-N 0 0 202.612 2.366 10 30 BEEERN C[C@@H]1C[C@](C#N)(N(C)C)CN1Cc1ccccc1 ZINC000306254134 359465491 /nfs/dbraw/zinc/46/54/91/359465491.db2.gz UCAAAVBXTDLRPO-UKRRQHHQSA-N 0 0 243.354 2.105 10 30 BEEERN C[C@@H](C#N)NCc1c(F)cccc1Cl ZINC000306254010 359465670 /nfs/dbraw/zinc/46/56/70/359465670.db2.gz WBIOCDZSVNXTJT-ZETCQYMHSA-N 0 0 212.655 2.481 10 30 BEEERN C[C@H]1C[C@@](C#N)(N(C)C)CN1Cc1ccccc1 ZINC000306254135 359465865 /nfs/dbraw/zinc/46/58/65/359465865.db2.gz UCAAAVBXTDLRPO-ZFWWWQNUSA-N 0 0 243.354 2.105 10 30 BEEERN O=C[C@@H]1CC[C@@H](c2ccc(Br)o2)O1 ZINC000306317930 359596980 /nfs/dbraw/zinc/59/69/80/359596980.db2.gz ZPTXMHHGBIBVQQ-BQBZGAKWSA-N 0 0 245.072 2.461 10 30 BEEERN N#CCc1cc(F)c(O)cc1Br ZINC000306376142 359711700 /nfs/dbraw/zinc/71/17/00/359711700.db2.gz QYUXXMAALQQFIB-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN CC[C@](C)(C#N)c1ncc(Br)cn1 ZINC000306381904 359732099 /nfs/dbraw/zinc/73/20/99/359732099.db2.gz YFJUTEAYZTXPKN-SECBINFHSA-N 0 0 240.104 2.430 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)C12CCC(CC1)C2 ZINC000612300659 359776200 /nfs/dbraw/zinc/77/62/00/359776200.db2.gz XEKIOCXQSIAAKW-BEVNXUHPSA-N 0 0 232.327 2.375 10 30 BEEERN C[C@@H]1COCC[C@]1(C#N)NCc1ccccc1 ZINC000306425997 359873526 /nfs/dbraw/zinc/87/35/26/359873526.db2.gz RJXFTNXYLMGDNE-TZMCWYRMSA-N 0 0 230.311 2.095 10 30 BEEERN CC1(C)CN(C[C@@H](C#N)C(F)(F)F)C1 ZINC000306429347 359885807 /nfs/dbraw/zinc/88/58/07/359885807.db2.gz OQTDRZAAUYTQCQ-SSDOTTSWSA-N 0 0 206.211 2.030 10 30 BEEERN C[C@H](N[C@H]1CCC[C@H]1C#N)c1ccccn1 ZINC000088169815 359939308 /nfs/dbraw/zinc/93/93/08/359939308.db2.gz HPRZIHAHZARWJJ-GVXVVHGQSA-N 0 0 215.300 2.424 10 30 BEEERN C#CCOc1cc(F)c(C)cc1[N+](=O)[O-] ZINC000306449223 360016386 /nfs/dbraw/zinc/01/63/86/360016386.db2.gz ACTCFKUJCVMZRQ-UHFFFAOYSA-N 0 0 209.176 2.054 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccncc1Cl ZINC000091449847 360115839 /nfs/dbraw/zinc/11/58/39/360115839.db2.gz HTKQQPXJJCJBAV-GZMMTYOYSA-N 0 0 249.701 2.157 10 30 BEEERN C[C@@H](S)C(=O)N1CCCCCCCC1 ZINC000306479323 360116921 /nfs/dbraw/zinc/11/69/21/360116921.db2.gz IAYLWIGCWZKUEE-SNVBAGLBSA-N 0 0 215.362 2.488 10 30 BEEERN C[C@@H]1CSC[C@]1(C#N)NCc1ccccc1 ZINC000306485956 360162195 /nfs/dbraw/zinc/16/21/95/360162195.db2.gz ODXNXAMMJPOQFQ-YPMHNXCESA-N 0 0 232.352 2.421 10 30 BEEERN Cc1c(N)cccc1C(=O)C1=COCC1 ZINC000306524023 360367695 /nfs/dbraw/zinc/36/76/95/360367695.db2.gz WTIRRVQNGUJJEG-UHFFFAOYSA-N 0 0 203.241 2.064 10 30 BEEERN N#CC1(c2nnc(C(F)F)s2)CC1 ZINC000306532421 360392288 /nfs/dbraw/zinc/39/22/88/360392288.db2.gz LZARBKREMOEYLX-UHFFFAOYSA-N 0 0 201.201 2.031 10 30 BEEERN CC(C)[C@@H](S)C(=O)N1C2CCC1CC2 ZINC000306561772 360438925 /nfs/dbraw/zinc/43/89/25/360438925.db2.gz BYQGRUVAWHVKOQ-UDNWOFFPSA-N 0 0 213.346 2.094 10 30 BEEERN Cc1c(C#N)cccc1NC1CSC1 ZINC000306544168 360413542 /nfs/dbraw/zinc/41/35/42/360413542.db2.gz UNVUPMBHPWVPIZ-UHFFFAOYSA-N 0 0 204.298 2.394 10 30 BEEERN Cc1cc(C#N)cc(N2CCC[C@@H]2CCCO)n1 ZINC000161041410 360417330 /nfs/dbraw/zinc/41/73/30/360417330.db2.gz YAOAYDNQXUXYIU-CYBMUJFWSA-N 0 0 245.326 2.003 10 30 BEEERN C[C@@H]1C[C@@H](C(=O)CC#CC(C)(C)C)CO1 ZINC000300739093 360423961 /nfs/dbraw/zinc/42/39/61/360423961.db2.gz HZLYDRZHVWAKIZ-GHMZBOCLSA-N 0 0 208.301 2.420 10 30 BEEERN C#CC[C@@H](C)Nc1cncc(SC)n1 ZINC000306556038 360430049 /nfs/dbraw/zinc/43/00/49/360430049.db2.gz MEKSDOBELFXKRJ-MRVPVSSYSA-N 0 0 207.302 2.022 10 30 BEEERN C[C@H](C=O)Cc1cc(F)c(F)c(F)c1 ZINC000306559536 360433982 /nfs/dbraw/zinc/43/39/82/360433982.db2.gz QIXSAESNIGGFKD-LURJTMIESA-N 0 0 202.175 2.481 10 30 BEEERN Cc1csc(=O)n1C[C@@H](C#N)C(C)C ZINC000306590442 360494640 /nfs/dbraw/zinc/49/46/40/360494640.db2.gz XUEJZNQLQNWVNH-SECBINFHSA-N 0 0 210.302 2.014 10 30 BEEERN COc1ccccc1[C@H]1CC(=O)C=CO1 ZINC000034566110 360460955 /nfs/dbraw/zinc/46/09/55/360460955.db2.gz USXRDWKUDRMMPX-GFCCVEGCSA-N 0 0 204.225 2.239 10 30 BEEERN C=C(C)CC(=O)c1cnn(C)c1Br ZINC000306601605 360526354 /nfs/dbraw/zinc/52/63/54/360526354.db2.gz KBUFWICOADRJRR-UHFFFAOYSA-N 0 0 243.104 2.332 10 30 BEEERN CC#CCNCc1cc(Br)co1 ZINC000306603397 360530309 /nfs/dbraw/zinc/53/03/09/360530309.db2.gz MMOFCGQECBFISO-UHFFFAOYSA-N 0 0 228.089 2.155 10 30 BEEERN N#Cc1ccc(CNOCc2ccccc2)o1 ZINC000161082689 360511385 /nfs/dbraw/zinc/51/13/85/360511385.db2.gz OBCLVTGJEREOAC-UHFFFAOYSA-N 0 0 228.251 2.373 10 30 BEEERN C[C@H]1C[C@@]2(CO2)C[N@@H+]1Cc1ccccc1 ZINC000306598816 360518483 /nfs/dbraw/zinc/51/84/83/360518483.db2.gz YCVNBLNJZNUSFL-AAEUAGOBSA-N 0 0 203.285 2.050 10 30 BEEERN N#CCc1cc(C#N)ccc1Br ZINC000238059708 360542153 /nfs/dbraw/zinc/54/21/53/360542153.db2.gz ZRXVKNGZJPPMTF-UHFFFAOYSA-N 0 0 221.057 2.387 10 30 BEEERN N#CCc1ccc(C#N)cc1Br ZINC000238053051 360543589 /nfs/dbraw/zinc/54/35/89/360543589.db2.gz PUKKMUSBPNKGFI-UHFFFAOYSA-N 0 0 221.057 2.387 10 30 BEEERN O=C1C=COC2(Cc3ccccc3C2)C1 ZINC000069852289 360723555 /nfs/dbraw/zinc/72/35/55/360723555.db2.gz BZIKSKBCYHNUFX-UHFFFAOYSA-N 0 0 200.237 2.027 10 30 BEEERN CCOC(=O)c1cc(F)c(F)cc1C#N ZINC000238257342 360762891 /nfs/dbraw/zinc/76/28/91/360762891.db2.gz DJTPMDGSKHURGS-UHFFFAOYSA-N 0 0 211.167 2.013 10 30 BEEERN CCc1c(C#N)ccc(C(=O)OC)c1F ZINC000238298490 360790451 /nfs/dbraw/zinc/79/04/51/360790451.db2.gz ASSJATUFAJTZMB-UHFFFAOYSA-N 0 0 207.204 2.046 10 30 BEEERN CCc1cc(C#N)c(C)cc1C(=O)OC ZINC000238312045 360862815 /nfs/dbraw/zinc/86/28/15/360862815.db2.gz WTXGPFSWRVEQTP-UHFFFAOYSA-N 0 0 203.241 2.216 10 30 BEEERN CCc1cc(C#N)c(F)cc1C(=O)OC ZINC000238312120 360863127 /nfs/dbraw/zinc/86/31/27/360863127.db2.gz DJMHMEXQADVSJI-UHFFFAOYSA-N 0 0 207.204 2.046 10 30 BEEERN COc1cc(C#N)ccc1OC(F)(F)F ZINC000238329999 360875913 /nfs/dbraw/zinc/87/59/13/360875913.db2.gz MTHBQMUVFAREPM-UHFFFAOYSA-N 0 0 217.146 2.465 10 30 BEEERN Cc1ccc(OC(F)(F)F)c(C#N)n1 ZINC000238462492 361086477 /nfs/dbraw/zinc/08/64/77/361086477.db2.gz YZWBWXIQSPGPLZ-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1cc(F)ncc1OC(F)(F)F ZINC000238587207 361158710 /nfs/dbraw/zinc/15/87/10/361158710.db2.gz CQIZZXIJOPSNCZ-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1ccc(F)nc1OC(F)(F)F ZINC000238629030 361167858 /nfs/dbraw/zinc/16/78/58/361167858.db2.gz QTJDAZQQOZFRLV-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#Cc1cc(CF)nc(OC(F)(F)F)c1 ZINC000238689034 361179086 /nfs/dbraw/zinc/17/90/86/361179086.db2.gz AFGHUNLMNXEWCS-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#CCc1c(F)nccc1OC(F)(F)F ZINC000238601486 361163561 /nfs/dbraw/zinc/16/35/61/361163561.db2.gz BWNXWNSOFXAHRM-UHFFFAOYSA-N 0 0 220.125 2.185 10 30 BEEERN N#CCc1ccc(O)c(OC(F)(F)F)c1 ZINC000238715317 361371066 /nfs/dbraw/zinc/37/10/66/361371066.db2.gz CURKEPDMEHGTCP-UHFFFAOYSA-N 0 0 217.146 2.357 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)cc1O ZINC000238707627 361364372 /nfs/dbraw/zinc/36/43/72/361364372.db2.gz NVIOWEHVUAVJRZ-UHFFFAOYSA-N 0 0 217.146 2.357 10 30 BEEERN CC(C)(C)OC(=O)Nc1ccc(N)cc1C#N ZINC000036737752 361392766 /nfs/dbraw/zinc/39/27/66/361392766.db2.gz BZKUQHPZJOTSFK-UHFFFAOYSA-N 0 0 233.271 2.487 10 30 BEEERN CC(C)n1nccc1CN[C@H]1CCC[C@@H]1C#N ZINC000354651527 366805666 /nfs/dbraw/zinc/80/56/66/366805666.db2.gz BZUBWLNOSPDJRY-YPMHNXCESA-N 0 0 232.331 2.246 10 30 BEEERN COc1nc(CC#N)ccc1OC(F)(F)F ZINC000381650029 361508464 /nfs/dbraw/zinc/50/84/64/361508464.db2.gz RNNBEBBJDGQRBZ-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN Cc1nsc(N[C@H]2CCC[C@H]2C#N)c1C#N ZINC000381852546 361568073 /nfs/dbraw/zinc/56/80/73/361568073.db2.gz TYHAYFCUOPYVFN-WPRPVWTQSA-N 0 0 232.312 2.427 10 30 BEEERN C[C@](N)(C#N)CSc1ncccc1Cl ZINC000070615726 361631992 /nfs/dbraw/zinc/63/19/92/361631992.db2.gz BOXNXVFWLLNZJC-VIFPVBQESA-N 0 0 227.720 2.068 10 30 BEEERN C=C(Br)CN1CCCC[C@H]1C#N ZINC000070662690 361701976 /nfs/dbraw/zinc/70/19/76/361701976.db2.gz SMIYZHLEHYTVGH-VIFPVBQESA-N 0 0 229.121 2.273 10 30 BEEERN COC(=O)[C@@]1(Cl)O[C@@]1(C)c1ccc(C)cc1 ZINC000234582846 541312015 /nfs/dbraw/zinc/31/20/15/541312015.db2.gz XOLIHGMDOUFQLQ-NWDGAFQWSA-N 0 0 240.686 2.349 10 30 BEEERN CC(C)[C@H]1CCN(C(=O)C(C)(C)C#N)C1 ZINC000134966732 364420113 /nfs/dbraw/zinc/42/01/13/364420113.db2.gz JDOXGRQFIPMGQT-JTQLQIEISA-N 0 0 208.305 2.041 10 30 BEEERN CC[C@H](NC(=O)[C@](C)(C#N)CC)C(C)C ZINC000136207969 364466998 /nfs/dbraw/zinc/46/69/98/364466998.db2.gz XDAQHSUADZELLH-JQWIXIFHSA-N 0 0 210.321 2.477 10 30 BEEERN CC#CCNC(=O)NC1CCC(CC)CC1 ZINC000135119970 541362079 /nfs/dbraw/zinc/36/20/79/541362079.db2.gz OYGQXGRJJGXPFB-UHFFFAOYSA-N 0 0 222.332 2.278 10 30 BEEERN C=C(C)CN(CC)Cc1nnc(C(C)C)n1C ZINC000195430207 367360288 /nfs/dbraw/zinc/36/02/88/367360288.db2.gz BJKGFQNHMWXBEA-UHFFFAOYSA-N 0 0 236.363 2.337 10 30 BEEERN C=CCNC(=O)c1ccc2cc(OC)ccc2n1 ZINC000026067523 368233111 /nfs/dbraw/zinc/23/31/11/368233111.db2.gz YOSAVYXNOLOMIF-UHFFFAOYSA-N 0 0 242.278 2.159 10 30 BEEERN C[C@H](COCc1ccccc1)OC[C@@H]1CO1 ZINC000226013131 368367479 /nfs/dbraw/zinc/36/74/79/368367479.db2.gz SVDDAPVYOKSUTE-DGCLKSJQSA-N 0 0 222.284 2.007 10 30 BEEERN C=CC[C@H](O)[C@]1(C)CCCCC12OCCO2 ZINC000048523853 368377433 /nfs/dbraw/zinc/37/74/33/368377433.db2.gz CTJKROZXDAXMTB-RYUDHWBXSA-N 0 0 226.316 2.247 10 30 BEEERN Cc1nnc(/N=C\c2ccc(O)cc2)s1 ZINC000001509778 368416057 /nfs/dbraw/zinc/41/60/57/368416057.db2.gz IGWTYKDIMPXGIM-WDZFZDKYSA-N 0 0 219.269 2.303 10 30 BEEERN C=C(C(=O)OC)[C@@H](O)CCCCCC ZINC000038325284 368408981 /nfs/dbraw/zinc/40/89/81/368408981.db2.gz LHBFJRKVQGSQOV-JTQLQIEISA-N 0 0 200.278 2.047 10 30 BEEERN COc1cc(C)c([C@@H](C#N)C(C)=O)cc1OC ZINC000084517687 368856901 /nfs/dbraw/zinc/85/69/01/368856901.db2.gz ABBYQJJYMRVQSO-NSHDSACASA-N 0 0 233.267 2.208 10 30 BEEERN CC(=O)N[C@](C)(C#N)Cc1ccc(Cl)cc1 ZINC000584879937 368858296 /nfs/dbraw/zinc/85/82/96/368858296.db2.gz PGPINKHXPDJKMK-LBPRGKRZSA-N 0 0 236.702 2.301 10 30 BEEERN C=C[C@H](C)NC(=O)OCc1ccccc1 ZINC000114880723 368956480 /nfs/dbraw/zinc/95/64/80/368956480.db2.gz KAIUHMMINIXQOJ-JTQLQIEISA-N 0 0 205.257 2.487 10 30 BEEERN C=CCC(=O)Nc1ncc(Br)s1 ZINC000054400227 369070505 /nfs/dbraw/zinc/07/05/05/369070505.db2.gz KGMQKGSRRZVSFE-UHFFFAOYSA-N 0 0 247.117 2.420 10 30 BEEERN Cc1cc(CN[C@@H]2CCC[C@@H]2C#N)sn1 ZINC000404479805 369430671 /nfs/dbraw/zinc/43/06/71/369430671.db2.gz DQRGQXOJBOXUSU-MWLCHTKSSA-N 0 0 221.329 2.233 10 30 BEEERN Cc1cc(CN[C@@H]2CCC[C@H]2C#N)sn1 ZINC000404479801 369430764 /nfs/dbraw/zinc/43/07/64/369430764.db2.gz DQRGQXOJBOXUSU-GXSJLCMTSA-N 0 0 221.329 2.233 10 30 BEEERN N#Cc1cccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000250077019 369487729 /nfs/dbraw/zinc/48/77/29/369487729.db2.gz LKEWZAKTMLOCQS-BTTYYORXSA-N 0 0 240.306 2.221 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)Nc2cc(F)cc(C#N)c2)O1 ZINC000601713022 369668774 /nfs/dbraw/zinc/66/87/74/369668774.db2.gz ZUPCABKVNNSFOZ-PRHODGIISA-N 0 0 248.257 2.203 10 30 BEEERN Cc1cccc(CNc2ccnc(C#N)c2)n1 ZINC000061812205 369858336 /nfs/dbraw/zinc/85/83/36/369858336.db2.gz CYZFHSHKXQVUFK-UHFFFAOYSA-N 0 0 224.267 2.269 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@@H]2CCC[C@@H](O)C2)n1 ZINC000603865242 369996680 /nfs/dbraw/zinc/99/66/80/369996680.db2.gz GNEOLFQRWPHYDL-VXGBXAGGSA-N 0 0 245.326 2.286 10 30 BEEERN C=CCN(CC=NO)C(=O)OCc1ccccc1 ZINC000309793382 370262326 /nfs/dbraw/zinc/26/23/26/370262326.db2.gz USNPGPXWVWTJSS-UHFFFAOYSA-N 0 0 248.282 2.271 10 30 BEEERN N#Cc1ccc(CCC(F)(F)F)nc1 ZINC000114610043 370578714 /nfs/dbraw/zinc/57/87/14/370578714.db2.gz UBQLSYSPXVTTAX-UHFFFAOYSA-N 0 0 200.163 2.448 10 30 BEEERN N#Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC000096320720 371469830 /nfs/dbraw/zinc/46/98/30/371469830.db2.gz MJQHDVHQJPCJGE-UHFFFAOYSA-N 0 0 211.146 2.453 10 30 BEEERN Cc1nsc(N2C[C@@H]3CCC[C@@H]32)c1C#N ZINC000334473046 371511922 /nfs/dbraw/zinc/51/19/22/371511922.db2.gz IQVBJORNLXURJY-WPRPVWTQSA-N 0 0 219.313 2.312 10 30 BEEERN Cc1cncc(Br)c1CC#N ZINC000215538035 371572686 /nfs/dbraw/zinc/57/26/86/371572686.db2.gz SIGQOVPYRGFIGH-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN N#CCc1ccc(Br)cc1O ZINC000215609416 371595519 /nfs/dbraw/zinc/59/55/19/371595519.db2.gz CTWKIBIHPHNQSD-UHFFFAOYSA-N 0 0 212.046 2.221 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NCc1cncs1 ZINC000131463653 371607579 /nfs/dbraw/zinc/60/75/79/371607579.db2.gz PUSWRKQTMSMBJR-KOLCDFICSA-N 0 0 221.329 2.315 10 30 BEEERN Cc1cc(C(=O)C(C#N)C#N)ccc1Cl ZINC000132163444 371759168 /nfs/dbraw/zinc/75/91/68/371759168.db2.gz GPDXWDXLQSFWQB-UHFFFAOYSA-N 0 0 218.643 2.494 10 30 BEEERN O=CCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000216646796 371784914 /nfs/dbraw/zinc/78/49/14/371784914.db2.gz SYESCEFNKUVUHQ-UHFFFAOYSA-N 0 0 223.228 2.343 10 30 BEEERN Cc1cnc([C@@H](C)NCC2(CC#N)CC2)o1 ZINC000227494831 371875139 /nfs/dbraw/zinc/87/51/39/371875139.db2.gz XFNUCKDLKLASNP-SNVBAGLBSA-N 0 0 219.288 2.328 10 30 BEEERN CN[C@H](C#N)c1sccc1Br ZINC000228006423 371966124 /nfs/dbraw/zinc/96/61/24/371966124.db2.gz QWAJPAVOWLPLCI-ZCFIWIBFSA-N 0 0 231.118 2.295 10 30 BEEERN CC#CC[C@@H](O)c1ccc(Br)cn1 ZINC000133083566 371985108 /nfs/dbraw/zinc/98/51/08/371985108.db2.gz CRMZYQCLRUYZBI-SNVBAGLBSA-N 0 0 240.100 2.291 10 30 BEEERN CC#CCC(=O)[C@H]1SCCS[C@@H]1C ZINC000228079636 371986475 /nfs/dbraw/zinc/98/64/75/371986475.db2.gz ZRGHOADDWALQDU-SCZZXKLOSA-N 0 0 214.355 2.206 10 30 BEEERN CC#CC[C@H](O)[C@H]1SCCS[C@@H]1CC ZINC000228096773 371989944 /nfs/dbraw/zinc/98/99/44/371989944.db2.gz CFUKAZFXZWOWTO-HBNTYKKESA-N 0 0 230.398 2.388 10 30 BEEERN N#C[C@@H](CO)Cc1cccc(Cl)c1F ZINC000228318552 372015206 /nfs/dbraw/zinc/01/52/06/372015206.db2.gz BWIVYXGUEBVBSD-ZETCQYMHSA-N 0 0 213.639 2.154 10 30 BEEERN C#CC[C@@H](CC)Nc1ncncc1Cl ZINC000163648976 372024310 /nfs/dbraw/zinc/02/43/10/372024310.db2.gz XCPGJQYQHAKSMT-MRVPVSSYSA-N 0 0 209.680 2.344 10 30 BEEERN C=C=CC(=O)c1ccc(Br)cn1 ZINC000163561004 372012078 /nfs/dbraw/zinc/01/20/78/372012078.db2.gz OQANMVZBSFXRFF-UHFFFAOYSA-N 0 0 224.057 2.050 10 30 BEEERN C#CCCC(=O)c1ccc(Br)cn1 ZINC000163557918 372013021 /nfs/dbraw/zinc/01/30/21/372013021.db2.gz HEPLPEZDUTZQMP-UHFFFAOYSA-N 0 0 238.084 2.440 10 30 BEEERN C#Cc1ccc(OCc2ccncc2)nc1 ZINC000606302738 372091946 /nfs/dbraw/zinc/09/19/46/372091946.db2.gz TXZOUKZBSMIWIZ-UHFFFAOYSA-N 0 0 210.236 2.037 10 30 BEEERN CSC(=N[C@@H]1CC[C@H](C)[C@@H]1C)NC#N ZINC000229501495 372159955 /nfs/dbraw/zinc/15/99/55/372159955.db2.gz FRVDEAOWUABQRS-XHNCKOQMSA-N 0 0 211.334 2.211 10 30 BEEERN C=CCOc1ccc2c(c1)CCC(=O)N2 ZINC000164729604 372191276 /nfs/dbraw/zinc/19/12/76/372191276.db2.gz AGELCZVFAYJBQT-UHFFFAOYSA-N 0 0 203.241 2.136 10 30 BEEERN C#CCOc1cc([N+](=O)[O-])ccc1Cl ZINC000069635324 373562225 /nfs/dbraw/zinc/56/22/25/373562225.db2.gz UJYFCORJSKPRDP-UHFFFAOYSA-N 0 0 211.604 2.260 10 30 BEEERN C#CCCNc1cc(F)cc([N+](=O)[O-])c1 ZINC000069790857 373764416 /nfs/dbraw/zinc/76/44/16/373764416.db2.gz JDCMCWLURRKTGP-UHFFFAOYSA-N 0 0 208.192 2.169 10 30 BEEERN N#CCC(=O)c1c[nH]c2ccc(F)cc21 ZINC000070453482 374143603 /nfs/dbraw/zinc/14/36/03/374143603.db2.gz SUIDMAPQLLCJFD-UHFFFAOYSA-N 0 0 202.188 2.403 10 30 BEEERN Cn1cc(S[C@@H]2CCC[C@H]2C#N)cn1 ZINC000042406123 374268205 /nfs/dbraw/zinc/26/82/05/374268205.db2.gz SIHJPZSZVZZNKQ-WCBMZHEXSA-N 0 0 207.302 2.204 10 30 BEEERN O=C(NO)c1cccc(-c2ccccc2)c1 ZINC000027646665 182280451 /nfs/dbraw/zinc/28/04/51/182280451.db2.gz SEPGPMDDTZHYJV-UHFFFAOYSA-N 0 0 213.236 2.473 10 30 in-vivo BEEERN O=C(NO)c1cccc(C(=O)c2ccccc2)c1 ZINC000028108876 182280890 /nfs/dbraw/zinc/28/08/90/182280890.db2.gz LAZDNRBVPKMJSY-UHFFFAOYSA-N 0 0 241.246 2.037 10 30 in-vivo BEEERN O=C(OCc1ccccc1)N1CC[C@H]2O[C@H]2CC1 ZINC000113980028 182604750 /nfs/dbraw/zinc/60/47/50/182604750.db2.gz IITJMAOVBYABLN-BETUJISGSA-N 0 0 247.294 2.186 10 30 BEEERN CCCCOC[C@H](O)COc1ccccc1C#N ZINC000193244252 168907153 /nfs/dbraw/zinc/90/71/53/168907153.db2.gz JXMKCGRAOMQUFB-ZDUSSCGKSA-N 0 0 249.310 2.115 10 30 BEEERN CCCCSc1ncc(N)cc1C#N ZINC000037759450 168934265 /nfs/dbraw/zinc/93/42/65/168934265.db2.gz QKYKRIRSBKHRSZ-UHFFFAOYSA-N 0 0 207.302 2.428 10 30 BEEERN OCCC#Cc1cc(COCC2CC2)ccc1F ZINC000049621326 183040818 /nfs/dbraw/zinc/04/08/18/183040818.db2.gz JDXYKOHRNTXKKM-UHFFFAOYSA-N 0 0 248.297 2.486 10 30 BEEERN OCC#Cc1ccc(OCc2ccccn2)cc1 ZINC000037543865 183032627 /nfs/dbraw/zinc/03/26/27/183032627.db2.gz WFVJFRMBXPYJHZ-UHFFFAOYSA-N 0 0 239.274 2.004 10 30 BEEERN OCC#Cc1cccc(COCC(F)(F)F)c1 ZINC000049619927 183033458 /nfs/dbraw/zinc/03/34/58/183033458.db2.gz KAIWGDXGMAIXNZ-UHFFFAOYSA-N 0 0 244.212 2.109 10 30 BEEERN CCCCc1noc(-c2cc(C#N)c[nH]2)n1 ZINC000225299449 169028581 /nfs/dbraw/zinc/02/85/81/169028581.db2.gz YYCWQEXWNIMFDK-UHFFFAOYSA-N 0 0 216.244 2.279 10 30 BEEERN Oc1ccc(C#Cc2ccc(O)cc2)cc1 ZINC000033961815 183267745 /nfs/dbraw/zinc/26/77/45/183267745.db2.gz YAPDVYKTEDPFBG-UHFFFAOYSA-N 0 0 210.232 2.498 10 30 BEEERN CCCN(c1ccc(/C(N)=N/O)cc1)C(C)C ZINC000037096258 169182679 /nfs/dbraw/zinc/18/26/79/169182679.db2.gz YVNDIPJZCOBNOL-UHFFFAOYSA-N 0 0 235.331 2.406 10 30 BEEERN CCCNC(=NN)c1cc2cc(C)ccc2o1 ZINC000042894362 169183108 /nfs/dbraw/zinc/18/31/08/169183108.db2.gz STILSASCHGIABF-UHFFFAOYSA-N 0 0 231.299 2.361 10 30 BEEERN S=C(NN=C1CCCC1)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000196368628 183311762 /nfs/dbraw/zinc/31/17/62/183311762.db2.gz UOOSNYCMDXLGIQ-UMNHJUIQSA-N 0 0 249.383 2.345 10 30 BEEERN CCCNC(=O)[C@@H](C)Nc1ccc(F)cc1C#N ZINC000104250270 169242642 /nfs/dbraw/zinc/24/26/42/169242642.db2.gz BSFOZEDXKAEQCB-SECBINFHSA-N 0 0 249.289 2.024 10 30 BEEERN CCCN[C@@H](C#N)CCn1ccnc1C(C)C ZINC000062439816 169273542 /nfs/dbraw/zinc/27/35/42/169273542.db2.gz NNIDMYVIFZCCMV-GFCCVEGCSA-N 0 0 234.347 2.288 10 30 BEEERN CCCN[C@H](C#N)c1cc(OC)cc(OC)c1 ZINC000020379765 169283651 /nfs/dbraw/zinc/28/36/51/169283651.db2.gz AUBIJGXFSUAOET-CYBMUJFWSA-N 0 0 234.299 2.268 10 30 BEEERN CCCOCCOc1nc(C)cc(C)c1C#N ZINC000104234989 169309564 /nfs/dbraw/zinc/30/95/64/169309564.db2.gz BSPNQYKATUCKAK-UHFFFAOYSA-N 0 0 234.299 2.376 10 30 BEEERN CCCOc1ccc([C@H](C#N)NCCCO)cc1 ZINC000020176391 169321368 /nfs/dbraw/zinc/32/13/68/169321368.db2.gz HSBOFZMYRQTQPB-AWEZNQCLSA-N 0 0 248.326 2.012 10 30 BEEERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)C#N ZINC000181852345 134340022 /nfs/dbraw/zinc/34/00/22/134340022.db2.gz SRPGJFKGBGIIEH-JOYOIKCWSA-N 0 0 232.331 2.086 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C=O)C1 ZINC000098096010 166665673 /nfs/dbraw/zinc/66/56/73/166665673.db2.gz HFZOJUONOHDPHP-VHSXEESVSA-N 0 0 227.304 2.269 10 30 BEEERN CCC[C@H]1C[C@H]1NC(=O)Cc1ccc(C#N)cc1 ZINC000231691972 169537056 /nfs/dbraw/zinc/53/70/56/169537056.db2.gz MUICOLGBOCCJSD-UONOGXRCSA-N 0 0 242.322 2.406 10 30 BEEERN C#CCC(C)(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000185337387 532994485 /nfs/dbraw/zinc/99/44/85/532994485.db2.gz IKFQGJMKMPSWLP-GFCCVEGCSA-N 0 0 243.306 2.286 10 30 BEEERN C#CCCCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000192116942 533006060 /nfs/dbraw/zinc/00/60/60/533006060.db2.gz JILDWNMGVVJAED-ZDUSSCGKSA-N 0 0 245.326 2.267 10 30 BEEERN C#CCCCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000192116936 533006159 /nfs/dbraw/zinc/00/61/59/533006159.db2.gz JILDWNMGVVJAED-CYBMUJFWSA-N 0 0 245.326 2.267 10 30 BEEERN C#Cc1n[nH]c2ccc(Br)cc12 ZINC000141562502 383902700 /nfs/dbraw/zinc/90/27/00/383902700.db2.gz XFTYANKEHRFPNP-UHFFFAOYSA-N 0 0 221.057 2.307 10 30 BEEERN CCc1cc(C#N)c(CC#N)cc1OC ZINC000575648619 383906123 /nfs/dbraw/zinc/90/61/23/383906123.db2.gz VWVNEWNXKICLNM-UHFFFAOYSA-N 0 0 200.241 2.195 10 30 BEEERN CCc1cc([N+](=O)[O-])c(C#N)cc1CC#N ZINC000575649060 383949411 /nfs/dbraw/zinc/94/94/11/383949411.db2.gz SWGUSHPBOXAPNN-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1C ZINC000126448427 383964861 /nfs/dbraw/zinc/96/48/61/383964861.db2.gz NQWKFVXWRGBYOF-NSHDSACASA-N 0 0 228.295 2.491 10 30 BEEERN CCCC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000049817708 384046855 /nfs/dbraw/zinc/04/68/55/384046855.db2.gz RTXYPCRNBTZILQ-LLVKDONJSA-N 0 0 220.247 2.307 10 30 BEEERN CC(C)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000049817710 384047248 /nfs/dbraw/zinc/04/72/48/384047248.db2.gz MSRRDAFENBJNEI-LLVKDONJSA-N 0 0 220.247 2.163 10 30 BEEERN Cc1ccc(C(=O)NC2(C#N)CCCC2)cc1O ZINC000040354134 384149034 /nfs/dbraw/zinc/14/90/34/384149034.db2.gz PHHMNRIGNRTXEU-UHFFFAOYSA-N 0 0 244.294 2.267 10 30 BEEERN C=C(Cl)Cn1cccc(Br)c1=O ZINC000157148165 384171868 /nfs/dbraw/zinc/17/18/68/384171868.db2.gz SXGBRWGMQDUGDB-UHFFFAOYSA-N 0 0 248.507 2.363 10 30 BEEERN CCC[C@@H]1C[C@@H]1Nc1cc(C)nc(C#N)c1 ZINC000336677929 384251064 /nfs/dbraw/zinc/25/10/64/384251064.db2.gz CCSHJNBVCUOPJU-MFKMUULPSA-N 0 0 215.300 2.284 10 30 BEEERN CC[C@@H](C#N)Sc1nnnn1-c1ccccc1 ZINC000043557570 384283927 /nfs/dbraw/zinc/28/39/27/384283927.db2.gz WVVREPOQRORWFE-JTQLQIEISA-N 0 0 245.311 2.057 10 30 BEEERN COc1cccc(/C=N/[C@@H]2C[C@@H]2C)c1O ZINC000076008377 384350194 /nfs/dbraw/zinc/35/01/94/384350194.db2.gz CIHJARDUODMZIE-WIOWSGDLSA-N 0 0 205.257 2.228 10 30 BEEERN C[C@]12CC3=C(C[C@H]1O2)C(=O)c1ccccc1C3=O ZINC000095934633 384412625 /nfs/dbraw/zinc/41/26/25/384412625.db2.gz GRJFXDOULGUCOW-DOMZBBRYSA-N 0 0 240.258 2.314 10 30 BEEERN Cc1cc(N2CC[C@@H](C)C2)c(C#N)c(C)n1 ZINC000157401430 384426832 /nfs/dbraw/zinc/42/68/32/384426832.db2.gz CDGOXZFIVQBKPD-SECBINFHSA-N 0 0 215.300 2.416 10 30 BEEERN N#CCc1cc(F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575661134 384415047 /nfs/dbraw/zinc/41/50/47/384415047.db2.gz FSFVBFDQADUKGY-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN Cc1cc(NC[C@H]2CCC[C@H]2O)c(C#N)c(C)n1 ZINC000157454173 384479587 /nfs/dbraw/zinc/47/95/87/384479587.db2.gz BECWLNUJCJLCNA-BXUZGUMPSA-N 0 0 245.326 2.143 10 30 BEEERN CC(C)(C)[C@H](O)COc1cc(F)cc(C#N)c1 ZINC000290048755 384570843 /nfs/dbraw/zinc/57/08/43/384570843.db2.gz HZIPFPXWJIYMCL-GFCCVEGCSA-N 0 0 237.274 2.483 10 30 BEEERN C=CCCO[C@H](C)C(=O)N1CCCC1(C)C ZINC000102918467 384587393 /nfs/dbraw/zinc/58/73/93/384587393.db2.gz IOOOYPFWDIAVDU-LLVKDONJSA-N 0 0 225.332 2.369 10 30 BEEERN O=C1C=CC(=O)C(c2ccccc2Cl)=C1 ZINC000100084552 384616518 /nfs/dbraw/zinc/61/65/18/384616518.db2.gz HEFXYRDPFRWXBB-UHFFFAOYSA-N 0 0 218.639 2.431 10 30 BEEERN N#Cc1cccc(C2(O)CCSCC2)c1 ZINC000261355427 384623190 /nfs/dbraw/zinc/62/31/90/384623190.db2.gz SDFQQWZYORFZJH-UHFFFAOYSA-N 0 0 219.309 2.273 10 30 BEEERN O/N=C\c1ccc(Br)cc1 ZINC000100237463 384625537 /nfs/dbraw/zinc/62/55/37/384625537.db2.gz UIIZGAXKZZRCBN-UITAMQMPSA-N 0 0 200.035 2.257 10 30 BEEERN C[Si](C)(C)C#CC(=O)C#C[Si](C)(C)C ZINC000195994521 384668222 /nfs/dbraw/zinc/66/82/22/384668222.db2.gz PKWQXPKFOHOUGK-UHFFFAOYSA-N 0 0 222.436 2.317 10 30 BEEERN CCOc1ccnc(Br)c1C#N ZINC000071766483 384673939 /nfs/dbraw/zinc/67/39/39/384673939.db2.gz YWKCRSBHMASCMK-UHFFFAOYSA-N 0 0 227.061 2.114 10 30 BEEERN CCOc1cc(CC#N)c(C)cc1OC ZINC000575698274 384698036 /nfs/dbraw/zinc/69/80/36/384698036.db2.gz IYMBVJBODZRZDL-UHFFFAOYSA-N 0 0 205.257 2.468 10 30 BEEERN CN(CC#N)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000101514953 384780706 /nfs/dbraw/zinc/78/07/06/384780706.db2.gz HYKWLNDRGQNURI-HNNXBMFYSA-N 0 0 242.322 2.263 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)c(F)c1CO ZINC000575705278 384795547 /nfs/dbraw/zinc/79/55/47/384795547.db2.gz HODBSRWWBUARLM-UHFFFAOYSA-N 0 0 249.163 2.283 10 30 BEEERN Cc1ccc([C@@H](C)NC(=O)C2(C#N)CCC2)o1 ZINC000083795580 384798870 /nfs/dbraw/zinc/79/88/70/384798870.db2.gz MJJWAKYUWQVEBG-SNVBAGLBSA-N 0 0 232.283 2.459 10 30 BEEERN COc1cc(C(F)(F)F)cc(N)c1CC#N ZINC000575717047 384879995 /nfs/dbraw/zinc/87/99/95/384879995.db2.gz PJEBXNGPIAHOLM-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN COc1cc(N)cc(Br)c1CC#N ZINC000575714175 384862597 /nfs/dbraw/zinc/86/25/97/384862597.db2.gz CTZAVGXIMZLCJQ-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN Cc1c(N)c(Br)ccc1CC#N ZINC000575714566 384864498 /nfs/dbraw/zinc/86/44/98/384864498.db2.gz LJSSUCHXFFDZKP-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN O/N=C(/c1ccc(O)cc1)c1cc(O)ccc1O ZINC000148839286 384906769 /nfs/dbraw/zinc/90/67/69/384906769.db2.gz IVNOSQHDAPEHRI-YPKPFQOOSA-N 0 0 245.234 2.030 10 30 BEEERN C=CC[C@@H](CO)Nc1c(C)cccc1[N+](=O)[O-] ZINC000302157709 384974416 /nfs/dbraw/zinc/97/44/16/384974416.db2.gz WXMSMFAPZGNCRB-JTQLQIEISA-N 0 0 236.271 2.252 10 30 BEEERN C=C(C(=O)OCC)[C@H](O)c1ccccc1Cl ZINC000019835954 384993011 /nfs/dbraw/zinc/99/30/11/384993011.db2.gz BSRPDXCMAOIUOO-NSHDSACASA-N 0 0 240.686 2.493 10 30 BEEERN CC1(C)CCC(NC(=O)CSCC#N)CC1 ZINC000128174187 385008812 /nfs/dbraw/zinc/00/88/12/385008812.db2.gz QDSYWRJLECGBRJ-UHFFFAOYSA-N 0 0 240.372 2.328 10 30 BEEERN COC(=O)Cc1c(C)[nH]c2ccc(C#N)cc21 ZINC000072187426 385038621 /nfs/dbraw/zinc/03/86/21/385038621.db2.gz ZUGUDPBVSVYIMT-UHFFFAOYSA-N 0 0 228.251 2.064 10 30 BEEERN Cc1nc(C#N)sc1Br ZINC000072192986 385038927 /nfs/dbraw/zinc/03/89/27/385038927.db2.gz YQOVRWQIWSSXEV-UHFFFAOYSA-N 0 0 203.064 2.086 10 30 BEEERN N#CCCNc1cc(F)c(F)cc1F ZINC000061094117 385106541 /nfs/dbraw/zinc/10/65/41/385106541.db2.gz JKGXAUWKRNFPKJ-UHFFFAOYSA-N 0 0 200.163 2.429 10 30 BEEERN N#C[C@H]1CCC[C@@H]1Nc1ncncc1Cl ZINC000308867888 385224126 /nfs/dbraw/zinc/22/41/26/385224126.db2.gz GZEKMHZHJGZRNO-APPZFPTMSA-N 0 0 222.679 2.234 10 30 BEEERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)C#N ZINC000246824809 385241441 /nfs/dbraw/zinc/24/14/41/385241441.db2.gz BKYVBQIPTNTYAK-KGYLQXTDSA-N 0 0 228.295 2.127 10 30 BEEERN Cc1c(C#N)cccc1NC(=O)N[C@H]1C[C@H]1C ZINC000178566121 385249856 /nfs/dbraw/zinc/24/98/56/385249856.db2.gz UAPKAFBFAPSMPR-PELKAZGASA-N 0 0 229.283 2.397 10 30 BEEERN C=CCNc1ccc2c(c1)C(=O)CCO2 ZINC000308897569 385250806 /nfs/dbraw/zinc/25/08/06/385250806.db2.gz ATMVMPUQSGBLEJ-UHFFFAOYSA-N 0 0 203.241 2.250 10 30 BEEERN C[C@H](NC(=O)CC#N)c1cccc(Cl)c1 ZINC000044388448 385205272 /nfs/dbraw/zinc/20/52/72/385205272.db2.gz RKISHFIPLKHCBS-QMMMGPOBSA-N 0 0 222.675 2.431 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cncc(Cl)c1 ZINC000307953716 385359214 /nfs/dbraw/zinc/35/92/14/385359214.db2.gz KHBLSHOKLSRYMW-GZMMTYOYSA-N 0 0 249.701 2.157 10 30 BEEERN C[C@H]1C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000181505361 385414101 /nfs/dbraw/zinc/41/41/01/385414101.db2.gz FUHUAPIQUPGQQJ-GWCFXTLKSA-N 0 0 240.306 2.380 10 30 BEEERN N#Cc1cccnc1N[C@@H]1CCC[C@@H]1C#N ZINC000390821927 385439457 /nfs/dbraw/zinc/43/94/57/385439457.db2.gz ZWQNEGNDUPOSKP-MWLCHTKSSA-N 0 0 212.256 2.057 10 30 BEEERN CCC1CC(=O)C(=CN[C@@H](C)C2CC2)C(=O)C1 ZINC000170970902 385461104 /nfs/dbraw/zinc/46/11/04/385461104.db2.gz ZGZUNQLCRDRLPM-RGURZIINSA-N 0 0 235.327 2.217 10 30 BEEERN CC(C)(C)OC(=O)N1C[C@@H](C=O)CC(F)(F)C1 ZINC000257900542 385509252 /nfs/dbraw/zinc/50/92/52/385509252.db2.gz HQAKZHMARLSPSG-QMMMGPOBSA-N 0 0 249.257 2.078 10 30 BEEERN Cc1ccnc(N[C@H]2CCC[C@@H]2C#N)c1C#N ZINC000408182996 385631613 /nfs/dbraw/zinc/63/16/13/385631613.db2.gz NQDOBZCORGBKLV-PWSUYJOCSA-N 0 0 226.283 2.366 10 30 BEEERN Cc1cc(Br)ccc1[C@@H](N)C#N ZINC000259989059 385637960 /nfs/dbraw/zinc/63/79/60/385637960.db2.gz HDVYVIRJSCNZKG-VIFPVBQESA-N 0 0 225.089 2.281 10 30 BEEERN CC[C@@H]1COC(c2ccccc2C#N)=N1 ZINC000584623393 385644983 /nfs/dbraw/zinc/64/49/83/385644983.db2.gz LUCRBSMPNFQRKK-SNVBAGLBSA-N 0 0 200.241 2.114 10 30 BEEERN Cc1csc(CN[C@H]2CCC[C@@H]2C#N)n1 ZINC000054825970 385665807 /nfs/dbraw/zinc/66/58/07/385665807.db2.gz APWXALLCTNYXFG-ZJUUUORDSA-N 0 0 221.329 2.233 10 30 BEEERN Cc1ccc(CN[C@@H]2CCC[C@H]2C#N)o1 ZINC000054829795 385666598 /nfs/dbraw/zinc/66/65/98/385666598.db2.gz HZMNCQWJJZXZOV-CMPLNLGQSA-N 0 0 204.273 2.370 10 30 BEEERN CCOC(=O)Cc1cc(C#N)cc(C)c1C ZINC000260253541 385805103 /nfs/dbraw/zinc/80/51/03/385805103.db2.gz UIUYFDBUVCEAAL-UHFFFAOYSA-N 0 0 217.268 2.281 10 30 BEEERN C#CCNC(=O)N1CC=C(c2cccs2)CC1 ZINC000117955419 533167134 /nfs/dbraw/zinc/16/71/34/533167134.db2.gz MVUQUPFTXCQJEC-UHFFFAOYSA-N 0 0 246.335 2.180 10 30 BEEERN C=C(C)C(=O)c1ccc(N2CCOCC2)cc1 ZINC000575242814 386418280 /nfs/dbraw/zinc/41/82/80/386418280.db2.gz JLUBZLMLXPCUJF-UHFFFAOYSA-N 0 0 231.295 2.282 10 30 BEEERN C/C=C\C(=O)c1ccc(N2CCOCC2)cc1 ZINC000575242963 386422244 /nfs/dbraw/zinc/42/22/44/386422244.db2.gz MMWYQLKFOFDSLM-IHWYPQMZSA-N 0 0 231.295 2.282 10 30 BEEERN C=C(C)CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000122961650 386537992 /nfs/dbraw/zinc/53/79/92/386537992.db2.gz CYCKTORKUDUWTP-UHFFFAOYSA-N 0 0 234.255 2.209 10 30 BEEERN CCOC(=O)Cc1c(F)cc(CC)cc1C#N ZINC000575344449 386690578 /nfs/dbraw/zinc/69/05/78/386690578.db2.gz SWBUZPNLLILFOS-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN CCOC(=O)Cc1cc(C#N)c(F)cc1CC ZINC000575344448 386692016 /nfs/dbraw/zinc/69/20/16/386692016.db2.gz RZUZBTGERJVPME-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN COC(=O)c1cc(C#N)c(C(F)F)cc1OC ZINC000575343548 386692300 /nfs/dbraw/zinc/69/23/00/386692300.db2.gz HEMOOAMTXNYASI-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN Cc1csc(=NN=Cc2ccccc2F)[nH]1 ZINC000015923679 386899700 /nfs/dbraw/zinc/89/97/00/386899700.db2.gz SBXVBHKQBWOSDA-MLPAPPSSSA-N 0 0 235.287 2.459 10 30 BEEERN COC(=O)c1cc(F)cc(OC(F)F)c1C#N ZINC000575385685 386948155 /nfs/dbraw/zinc/94/81/55/386948155.db2.gz DNIJEYFRQYUZCN-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)c1cc(C#N)c(OC(F)F)cc1F ZINC000575385739 386947631 /nfs/dbraw/zinc/94/76/31/386947631.db2.gz HRIDDFJAWJINNW-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)c1cc(F)cc(C#N)c1OC(F)F ZINC000575386147 386942605 /nfs/dbraw/zinc/94/26/05/386942605.db2.gz WIKCQSSVSKCCPC-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)c1c(C#N)ccc(F)c1OC(F)F ZINC000575386188 386945813 /nfs/dbraw/zinc/94/58/13/386945813.db2.gz YOFBRLKYEZUEQK-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)Cc1c(F)cc(C(F)F)cc1C#N ZINC000575389395 386953025 /nfs/dbraw/zinc/95/30/25/386953025.db2.gz FZYNMYWRJUNFLX-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN CCOC(=O)c1cc(C#N)cc(CC)c1[N+](=O)[O-] ZINC000575388983 386953234 /nfs/dbraw/zinc/95/32/34/386953234.db2.gz OSBKVAHDPQELJR-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN COC(=O)Cc1cc(C#N)c(C(F)F)cc1F ZINC000575389344 386953371 /nfs/dbraw/zinc/95/33/71/386953371.db2.gz ALDFADANTFAQGH-UHFFFAOYSA-N 0 0 243.184 2.350 10 30 BEEERN COC(=O)c1cc(C=O)cc(C(F)F)c1C#N ZINC000575389958 386954550 /nfs/dbraw/zinc/95/45/50/386954550.db2.gz WSDVVWXMHAKWIE-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN CCOC(=O)Cc1c(C#N)ccc(F)c1CC ZINC000575390064 386954614 /nfs/dbraw/zinc/95/46/14/386954614.db2.gz UDQRYLWKEHNZLT-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN CCOC(=O)Cc1c(CC)ccc(F)c1C#N ZINC000575389806 386955125 /nfs/dbraw/zinc/95/51/25/386955125.db2.gz PCUAXAYVEQPIDP-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN CCOC(=O)Cc1c(C#N)cc(CC)cc1OC ZINC000575387980 386958911 /nfs/dbraw/zinc/95/89/11/386958911.db2.gz GDDUXXOQZJBLME-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN CCOC(=O)c1cc(OC)cc(CC)c1C#N ZINC000575388060 386959091 /nfs/dbraw/zinc/95/90/91/386959091.db2.gz ROOVQQBNWISIRZ-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CCOC(=O)Cc1cc(OC)cc(CC)c1C#N ZINC000575388062 386959136 /nfs/dbraw/zinc/95/91/36/386959136.db2.gz RTONBKQXDXWSIO-UHFFFAOYSA-N 0 0 247.294 2.235 10 30 BEEERN COC(=O)c1cc(O)c(C#N)c(C(F)(F)F)c1 ZINC000575391598 386962174 /nfs/dbraw/zinc/96/21/74/386962174.db2.gz BKFVPNSQHYSENJ-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN COC(=O)c1c(O)cc(C#N)cc1C(F)(F)F ZINC000575391556 386962643 /nfs/dbraw/zinc/96/26/43/386962643.db2.gz ADQUROZKXAUUQN-UHFFFAOYSA-N 0 0 245.156 2.069 10 30 BEEERN CCOC(=O)Cc1cc(CC)c(C=O)cc1C#N ZINC000575387563 386949190 /nfs/dbraw/zinc/94/91/90/386949190.db2.gz FZXGLNIRFXXCSI-UHFFFAOYSA-N 0 0 245.278 2.039 10 30 BEEERN CCOC(=O)c1cc(C#N)c(CC)cc1C=O ZINC000575387537 386949910 /nfs/dbraw/zinc/94/99/10/386949910.db2.gz DQJXNUWNIKUWMC-UHFFFAOYSA-N 0 0 231.251 2.110 10 30 BEEERN N#CCc1c(O)cc(OC(F)F)cc1F ZINC000575659889 387053093 /nfs/dbraw/zinc/05/30/93/387053093.db2.gz UOZVMTXYBNIRDG-UHFFFAOYSA-N 0 0 217.146 2.199 10 30 BEEERN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2C[C@@H]2C=O)C1 ZINC000306544385 387056699 /nfs/dbraw/zinc/05/66/99/387056699.db2.gz UXXJLVKSRXHBGN-AXFHLTTASA-N 0 0 239.315 2.078 10 30 BEEERN COCC#CCNc1ccsc1Cl ZINC000575458061 387021994 /nfs/dbraw/zinc/02/19/94/387021994.db2.gz ZCCCBJIGKIDQPU-UHFFFAOYSA-N 0 0 215.705 2.463 10 30 BEEERN C#CCONc1cc(Cl)ccc1C#N ZINC000306965065 387069940 /nfs/dbraw/zinc/06/99/40/387069940.db2.gz JPCFSQBESLWFEC-UHFFFAOYSA-N 0 0 206.632 2.188 10 30 BEEERN C[C@H](CC#N)C(=O)Nc1cccc(C#N)c1 ZINC000049815325 387080327 /nfs/dbraw/zinc/08/03/27/387080327.db2.gz SOOSAALBEJRUNO-SECBINFHSA-N 0 0 213.240 2.047 10 30 BEEERN Cc1ccc(CNC(=O)[C@H](C)CC#N)cc1 ZINC000049816049 387082457 /nfs/dbraw/zinc/08/24/57/387082457.db2.gz YRSFDYHDLLUOQC-LLVKDONJSA-N 0 0 216.284 2.161 10 30 BEEERN N#CCc1cc([N+](=O)[O-])cc(F)c1OC(F)F ZINC000575661776 387112171 /nfs/dbraw/zinc/11/21/71/387112171.db2.gz PUZZJRWFRJDOIS-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN N#CCc1c(F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575661236 387067989 /nfs/dbraw/zinc/06/79/89/387067989.db2.gz IKKBWGYTJGFDGO-UHFFFAOYSA-N 0 0 246.144 2.401 10 30 BEEERN N#C[C@@]1(c2cccc(F)c2)CCCOC1 ZINC000536950583 387162276 /nfs/dbraw/zinc/16/22/76/387162276.db2.gz PVYZMSMJKGPFSW-LBPRGKRZSA-N 0 0 205.232 2.397 10 30 BEEERN C[C@@H](CNc1cnc(C#N)cn1)c1nccs1 ZINC000129894346 387137063 /nfs/dbraw/zinc/13/70/63/387137063.db2.gz CQPPICRRKKECLQ-QMMMGPOBSA-N 0 0 245.311 2.020 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC(C#N)CC1 ZINC000230170970 387240560 /nfs/dbraw/zinc/24/05/60/387240560.db2.gz MZRRKMJYXDQGBK-PWSUYJOCSA-N 0 0 220.316 2.185 10 30 BEEERN N#Cc1cnc(NCCC[C@H]2CCCCO2)cn1 ZINC000129927329 387242094 /nfs/dbraw/zinc/24/20/94/387242094.db2.gz WTSVNEQVYCHUDI-GFCCVEGCSA-N 0 0 246.314 2.109 10 30 BEEERN COc1cc(O)c(CC#N)c(OC(F)F)c1 ZINC000575662981 387270410 /nfs/dbraw/zinc/27/04/10/387270410.db2.gz NNOJKUVUVYGLPN-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN Cc1nn([C@@H](C)C=O)c(C)c1Br ZINC000575511709 387384032 /nfs/dbraw/zinc/38/40/32/387384032.db2.gz WCFLINWWILNMQQ-YFKPBYRVSA-N 0 0 231.093 2.022 10 30 BEEERN COCc1cc(/C=N\O)cc(Cl)c1OC ZINC000575602948 387366702 /nfs/dbraw/zinc/36/67/02/387366702.db2.gz WUDMHISTGVNVKY-XGICHPGQSA-N 0 0 229.663 2.303 10 30 BEEERN Cc1c(Br)cc(O)cc1C#N ZINC000575693052 387384730 /nfs/dbraw/zinc/38/47/30/387384730.db2.gz RSQOMTKCKHELEW-UHFFFAOYSA-N 0 0 212.046 2.335 10 30 BEEERN Cc1cc(C#N)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575669013 387325571 /nfs/dbraw/zinc/32/55/71/387325571.db2.gz WYRNYDGMZHMLNE-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN CCOc1ccc(F)c([N+](=O)[O-])c1C#N ZINC000575670221 387330517 /nfs/dbraw/zinc/33/05/17/387330517.db2.gz HAYMPLHONWXOOD-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN COc1cc(OC(F)F)cc(OC)c1C#N ZINC000575671481 387333756 /nfs/dbraw/zinc/33/37/56/387333756.db2.gz KHDAOTGJAKIVEE-UHFFFAOYSA-N 0 0 229.182 2.177 10 30 BEEERN CCOc1c(C)c([N+](=O)[O-])ccc1C#N ZINC000575670956 387335503 /nfs/dbraw/zinc/33/55/03/387335503.db2.gz OHHHCQTWPGTJPO-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CCOc1ccc([N+](=O)[O-])c(C)c1C#N ZINC000575671594 387336158 /nfs/dbraw/zinc/33/61/58/387336158.db2.gz VFCQBCCITGLPFR-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CCOc1cc([N+](=O)[O-])cc(C)c1C#N ZINC000575670837 387336693 /nfs/dbraw/zinc/33/66/93/387336693.db2.gz NDPYVHDEXAVMPS-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN COc1ccc(OC)c(OC(F)F)c1C#N ZINC000575672125 387343098 /nfs/dbraw/zinc/34/30/98/387343098.db2.gz XIZUUFUKKQLFLG-UHFFFAOYSA-N 0 0 229.182 2.177 10 30 BEEERN N#CCc1c(N)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575719507 387423396 /nfs/dbraw/zinc/42/33/96/387423396.db2.gz DXNGTROAOQOXEN-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN Cc1ccc(CC#N)c(Br)c1N ZINC000575714929 387428390 /nfs/dbraw/zinc/42/83/90/387428390.db2.gz PYUROVJPVKZVPS-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN Cc1cc(Br)cc(CC#N)c1N ZINC000575715188 387428798 /nfs/dbraw/zinc/42/87/98/387428798.db2.gz VPLCXFZXCKYRSL-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN N#CCc1c(F)c(N)ccc1OC(F)F ZINC000575716120 387431992 /nfs/dbraw/zinc/43/19/92/387431992.db2.gz LFJLRUBIRAYFFY-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN Cc1c(N)c(OC(F)F)ccc1CC#N ZINC000575717668 387436144 /nfs/dbraw/zinc/43/61/44/387436144.db2.gz VJIABDGGLLVJPT-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN N#CCc1cc(N)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575719459 387436981 /nfs/dbraw/zinc/43/69/81/387436981.db2.gz CUTBWMQRHUPBGF-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN N#CCc1c([N+](=O)[O-])ccc(N)c1C(F)(F)F ZINC000575719827 387439467 /nfs/dbraw/zinc/43/94/67/387439467.db2.gz LTZOZZIGFCHEIQ-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN N#CCc1ccc(C(F)(F)F)c(N)c1[N+](=O)[O-] ZINC000575719910 387439622 /nfs/dbraw/zinc/43/96/22/387439622.db2.gz OUKBETDZQMRPCI-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN N#CCc1cc([N+](=O)[O-])c(N)cc1C(F)(F)F ZINC000575719579 387440309 /nfs/dbraw/zinc/44/03/09/387440309.db2.gz GEVVBLVDMNWVSG-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN N#CCc1ccc(N)c([N+](=O)[O-])c1C(F)(F)F ZINC000575719949 387440469 /nfs/dbraw/zinc/44/04/69/387440469.db2.gz PTZITJFNANSNIM-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN CC(C)(C)C#CCC(=O)C1(O)CCCC1 ZINC000300761440 387444823 /nfs/dbraw/zinc/44/48/23/387444823.db2.gz NSSDMSLDRZDOIO-UHFFFAOYSA-N 0 0 208.301 2.300 10 30 BEEERN CCOc1cc(CC#N)c(OC)c(OC)c1 ZINC000575696277 387395770 /nfs/dbraw/zinc/39/57/70/387395770.db2.gz MSDRFOJGWUAQHE-UHFFFAOYSA-N 0 0 221.256 2.169 10 30 BEEERN N#CCc1ccc(O)c(F)c1OC(F)(F)F ZINC000575703034 387398514 /nfs/dbraw/zinc/39/85/14/387398514.db2.gz DQBXVDOTQUTAJQ-UHFFFAOYSA-N 0 0 235.136 2.496 10 30 BEEERN CCOc1c(CC#N)cc(C)cc1[N+](=O)[O-] ZINC000575699395 387404065 /nfs/dbraw/zinc/40/40/65/387404065.db2.gz VMQGBIACHZHMBG-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN N#CCc1c(CO)ccc(F)c1OC(F)(F)F ZINC000575705996 387410838 /nfs/dbraw/zinc/41/08/38/387410838.db2.gz PWCAAJXKOMVMAD-UHFFFAOYSA-N 0 0 249.163 2.283 10 30 BEEERN N#CCc1ccc(F)c(Br)c1N ZINC000575714488 387411024 /nfs/dbraw/zinc/41/10/24/387411024.db2.gz PFDZVRDKQGRZII-UHFFFAOYSA-N 0 0 229.052 2.236 10 30 BEEERN Cc1cc(N)cc(CC#N)c1OC(F)F ZINC000575718048 387422554 /nfs/dbraw/zinc/42/25/54/387422554.db2.gz XZARQWHDSTUGOV-UHFFFAOYSA-N 0 0 212.199 2.245 10 30 BEEERN C=C(C)CS(=O)(=O)Nc1ccsc1 ZINC000274924960 387497702 /nfs/dbraw/zinc/49/77/02/387497702.db2.gz NSEIXFFUFBYQDL-UHFFFAOYSA-N 0 0 217.315 2.066 10 30 BEEERN CCOc1cccc(NN=C(C(C)=O)C(C)=O)c1 ZINC000584623781 387502709 /nfs/dbraw/zinc/50/27/09/387502709.db2.gz MUMRXRMZFBUAEV-UHFFFAOYSA-N 0 0 248.282 2.031 10 30 BEEERN C/C=C/[C@@H](COS(C)(=O)=O)c1ccccc1 ZINC000584627036 387503944 /nfs/dbraw/zinc/50/39/44/387503944.db2.gz AQJJQIAFALCSTH-QBODLPLBSA-N 0 0 240.324 2.323 10 30 BEEERN C[C@@H]1C[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000052291313 387469565 /nfs/dbraw/zinc/46/95/65/387469565.db2.gz FINOBUIHPPDDDL-GMSGAONNSA-N 0 0 217.228 2.287 10 30 BEEERN C=C(C)CN1CCO[C@@H](c2nccs2)C1 ZINC000171666222 387829699 /nfs/dbraw/zinc/82/96/99/387829699.db2.gz VRZHTQDPIXEBCU-SNVBAGLBSA-N 0 0 224.329 2.093 10 30 BEEERN N#CCc1c(F)cc(OC(F)F)cc1C#N ZINC000575639392 387836548 /nfs/dbraw/zinc/83/65/48/387836548.db2.gz HDHWVZJKQGIFQG-UHFFFAOYSA-N 0 0 226.157 2.365 10 30 BEEERN Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1O ZINC000061888720 387848779 /nfs/dbraw/zinc/84/87/79/387848779.db2.gz XTNGYYRKMKULCE-PWSUYJOCSA-N 0 0 244.294 2.123 10 30 BEEERN CCOc1c(F)ccc(CC#N)c1C#N ZINC000575642962 387866774 /nfs/dbraw/zinc/86/67/74/387866774.db2.gz BDPDYGKOZHHEIJ-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCOc1cc(C#N)c(CC#N)cc1C ZINC000575645609 387874646 /nfs/dbraw/zinc/87/46/46/387874646.db2.gz BLYPDATVWFAFBW-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN CCOC(=O)C12CCC(C=O)(CC1)CC2 ZINC000575623947 387814147 /nfs/dbraw/zinc/81/41/47/387814147.db2.gz DQSDOLCECNJMQQ-UHFFFAOYSA-N 0 0 210.273 2.089 10 30 BEEERN COc1cc(CC#N)c(OC(F)F)c(OC)c1 ZINC000575652841 387892825 /nfs/dbraw/zinc/89/28/25/387892825.db2.gz LYBXTYDTTDGPSE-UHFFFAOYSA-N 0 0 243.209 2.371 10 30 BEEERN CCOc1cc(F)cc(C#N)c1CC#N ZINC000575645538 387875443 /nfs/dbraw/zinc/87/54/43/387875443.db2.gz QIQDTOFFNFIHOT-UHFFFAOYSA-N 0 0 204.204 2.162 10 30 BEEERN CCc1cc([N+](=O)[O-])cc(CC#N)c1C#N ZINC000575646287 387878766 /nfs/dbraw/zinc/87/87/66/387878766.db2.gz HXAWPSIAAWDOGS-UHFFFAOYSA-N 0 0 215.212 2.095 10 30 BEEERN CCOc1cc(C#N)c(OC)c(CC#N)c1 ZINC000575646112 387879666 /nfs/dbraw/zinc/87/96/66/387879666.db2.gz HMQFDWKUEOUWKE-UHFFFAOYSA-N 0 0 216.240 2.032 10 30 BEEERN CCOc1cc(C)cc(CC#N)c1C#N ZINC000575647538 387884238 /nfs/dbraw/zinc/88/42/38/387884238.db2.gz IMDIQKJSOFHCAR-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN CCOc1cc(C)c(C#N)cc1CC#N ZINC000575651029 387884947 /nfs/dbraw/zinc/88/49/47/387884947.db2.gz USACAQSUCAJHGQ-UHFFFAOYSA-N 0 0 200.241 2.331 10 30 BEEERN N#CCN1CCCC[C@H]1c1nccs1 ZINC000195363709 387911025 /nfs/dbraw/zinc/91/10/25/387911025.db2.gz JSLGPDNAGHRVEI-VIFPVBQESA-N 0 0 207.302 2.194 10 30 BEEERN CCc1csc([C@H]2CCCN(CC#N)C2)n1 ZINC000195379305 387913142 /nfs/dbraw/zinc/91/31/42/387913142.db2.gz DECNRKSFEHGHSM-JTQLQIEISA-N 0 0 235.356 2.408 10 30 BEEERN Cc1cc(C)c(-n2ncc(C#N)c2N)c(C)c1 ZINC000032015199 177836750 /nfs/dbraw/zinc/83/67/50/177836750.db2.gz WYDXTZSVKBBUGR-UHFFFAOYSA-N 0 0 226.283 2.251 10 30 BEEERN CC[C@@](C)(C#N)NC(=O)c1ccc(C)nc1C ZINC000055330893 388085153 /nfs/dbraw/zinc/08/51/53/388085153.db2.gz HUVZPWWMVPEURT-ZDUSSCGKSA-N 0 0 231.299 2.121 10 30 BEEERN CN(Cc1ccc(C#N)cc1F)C[C@H]1CCCO1 ZINC000042338132 388086958 /nfs/dbraw/zinc/08/69/58/388086958.db2.gz GISDEDRKBVZEED-CYBMUJFWSA-N 0 0 248.301 2.308 10 30 BEEERN CN(C[C@H]1CCCO1)c1ccc(C#N)cc1F ZINC000042466234 388093773 /nfs/dbraw/zinc/09/37/73/388093773.db2.gz UZUDTYOOCLSNFF-LLVKDONJSA-N 0 0 234.274 2.313 10 30 BEEERN CCC[C@H](C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000251364882 388344500 /nfs/dbraw/zinc/34/45/00/388344500.db2.gz SVMBKAPQTHHEBX-GARJFASQSA-N 0 0 208.305 2.231 10 30 BEEERN O=C(/C=C/Cl)[C@H]1CC12CCOCC2 ZINC000575521457 388358275 /nfs/dbraw/zinc/35/82/75/388358275.db2.gz WEDWGGCTVYISHG-YKXFLQSUSA-N 0 0 200.665 2.125 10 30 BEEERN C[C@@H]1OCC[C@@H]1Nc1snc(Cl)c1C#N ZINC000270802380 388366966 /nfs/dbraw/zinc/36/69/66/388366966.db2.gz UPMKCRBBDBFJLW-FSPLSTOPSA-N 0 0 243.719 2.257 10 30 BEEERN CNc1ccc(Br)cc1C#N ZINC000096373592 256645426 /nfs/dbraw/zinc/64/54/26/256645426.db2.gz SNCBXJLGIWYANH-UHFFFAOYSA-N 0 0 211.062 2.362 10 30 BEEERN CC1(C)[C@H]2CC[C@]1(C)C(=NNC(N)=S)C2 ZINC000254840749 388374291 /nfs/dbraw/zinc/37/42/91/388374291.db2.gz HFTWOMIQZXSECJ-WRWORJQWSA-N 0 0 225.361 2.022 10 30 BEEERN C[C@H]1OCC[C@H]1Nc1ncc(C#N)cc1Cl ZINC000153233868 388393514 /nfs/dbraw/zinc/39/35/14/388393514.db2.gz QGHZBEJACGIMEJ-GMSGAONNSA-N 0 0 237.690 2.196 10 30 BEEERN N#Cc1ccncc1-c1cc(N)ccc1F ZINC000039140324 388408257 /nfs/dbraw/zinc/40/82/57/388408257.db2.gz PWQLUSOWZIBKNZ-UHFFFAOYSA-N 0 0 213.215 2.342 10 30 BEEERN Cn1c2cc(C#N)ccc2nc1C(F)F ZINC000130531101 388613753 /nfs/dbraw/zinc/61/37/53/388613753.db2.gz YSDNISHNADLUGZ-UHFFFAOYSA-N 0 0 207.183 2.383 10 30 BEEERN CCC(C#N)(CC)C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000528624710 388553392 /nfs/dbraw/zinc/55/33/92/388553392.db2.gz LDJYXFYYUIZWEC-WDEREUQCSA-N 0 0 220.316 2.327 10 30 BEEERN Cc1cc(Br)cnc1CC#N ZINC000086709619 177724239 /nfs/dbraw/zinc/72/42/39/177724239.db2.gz RTAODJHGANOYCK-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1c(C#N)nnc2ccccc21 ZINC000076324459 388666274 /nfs/dbraw/zinc/66/62/74/388666274.db2.gz BXUQONZPLZAUSX-KCJUWKMLSA-N 0 0 224.267 2.322 10 30 BEEERN C[C@@H]1SCC[C@]1(O)c1ccc(C#N)cc1 ZINC000521401169 388672177 /nfs/dbraw/zinc/67/21/77/388672177.db2.gz GIHQSMBRHPRBIZ-JOYOIKCWSA-N 0 0 219.309 2.271 10 30 BEEERN COC(=O)[C@@H](C#N)c1cccc(Cl)c1 ZINC000049814647 388681881 /nfs/dbraw/zinc/68/18/81/388681881.db2.gz GCMXNRWGEQVNFC-VIFPVBQESA-N 0 0 209.632 2.120 10 30 BEEERN C=C[C@H](C)NC(=O)[C@H](C)COc1ccccc1 ZINC000127306131 388720040 /nfs/dbraw/zinc/72/00/40/388720040.db2.gz ACEBEFNJHFXHLJ-NEPJUHHUSA-N 0 0 233.311 2.392 10 30 BEEERN O=C(CON=Cc1ccccc1)N1CCCCC1 ZINC000254517640 388813695 /nfs/dbraw/zinc/81/36/95/388813695.db2.gz IBKNUQZKGSJVSV-UHFFFAOYSA-N 0 0 246.310 2.050 10 30 BEEERN CC1=CC(=NOC(=O)c2ccco2)C(C)=CC1=O ZINC000254504990 388808184 /nfs/dbraw/zinc/80/81/84/388808184.db2.gz MCUQXEBRZICFGC-UHFFFAOYSA-N 0 0 245.234 2.268 10 30 BEEERN C[C@@H]1CCC[C@H]1C(=O)NCCCCC#N ZINC000230057726 388811675 /nfs/dbraw/zinc/81/16/75/388811675.db2.gz NZSONDLFYWJUAW-GHMZBOCLSA-N 0 0 208.305 2.233 10 30 BEEERN N#Cc1cnc(N2CCC3(CCCC3)C2)cn1 ZINC000125893974 388812619 /nfs/dbraw/zinc/81/26/19/388812619.db2.gz IIJUKYIFEQEFDR-UHFFFAOYSA-N 0 0 228.299 2.119 10 30 BEEERN C=C[C@H](C)Nc1cnn(C)c1Br ZINC000575461956 388823072 /nfs/dbraw/zinc/82/30/72/388823072.db2.gz KVEGHCMSYWJNIJ-LURJTMIESA-N 0 0 230.109 2.169 10 30 BEEERN C[C@@H]1CSC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575496597 388973441 /nfs/dbraw/zinc/97/34/41/388973441.db2.gz PRYQFDXZLGHQGV-KCJUWKMLSA-N 0 0 242.344 2.156 10 30 BEEERN C#Cc1cccc(N(CC)C(=O)[C@@H](C)COC)c1 ZINC000103394619 533346213 /nfs/dbraw/zinc/34/62/13/533346213.db2.gz LGLLYMNBVYDGHT-LBPRGKRZSA-N 0 0 245.322 2.303 10 30 BEEERN C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302740471 132266435 /nfs/dbraw/zinc/26/64/35/132266435.db2.gz QXRKQSITGDNSCE-VIFPVBQESA-N 0 0 246.270 2.240 10 30 BEEERN C[C@H]1CCc2ccccc2N1C[C@@H]1CO1 ZINC000019270923 132324431 /nfs/dbraw/zinc/32/44/31/132324431.db2.gz JDFGEJBRFVPDOK-CMPLNLGQSA-N 0 0 203.285 2.227 10 30 BEEERN C[C@@H](C#N)CN1CCN(c2ccccc2F)CC1 ZINC000031945930 132334706 /nfs/dbraw/zinc/33/47/06/132334706.db2.gz CMHXJGUJCWTKPA-LBPRGKRZSA-N 0 0 247.317 2.107 10 30 BEEERN C[C@@H](C#N)CN1c2ccccc2CCC1=O ZINC000036677071 132342248 /nfs/dbraw/zinc/34/22/48/132342248.db2.gz BPXNXGUXHBPAFR-JTQLQIEISA-N 0 0 214.268 2.125 10 30 BEEERN C[C@H]1C[C@H](C)CN(c2ncc(N)cc2C#N)C1 ZINC000037758805 132345600 /nfs/dbraw/zinc/34/56/00/132345600.db2.gz JHNKIPWZCRYKJQ-UWVGGRQHSA-N 0 0 230.315 2.018 10 30 BEEERN N#Cc1ccc(N2CCO[C@@H]3CCCC[C@@H]32)nc1 ZINC000043427687 132353100 /nfs/dbraw/zinc/35/31/00/132353100.db2.gz CUISZGLSFHNMQI-QWHCGFSZSA-N 0 0 243.310 2.101 10 30 BEEERN Cc1ccc2c(c1)CCCN2[C@@H](C)C/C(N)=N/O ZINC000048251351 132355327 /nfs/dbraw/zinc/35/53/27/132355327.db2.gz ZLFKVNTTWASGFI-NSHDSACASA-N 0 0 247.342 2.273 10 30 BEEERN CC[C@H](C#N)N1CCCc2ccc(N)cc21 ZINC000051296875 132359997 /nfs/dbraw/zinc/35/99/97/132359997.db2.gz KEQVAERFSUFQOM-GFCCVEGCSA-N 0 0 215.300 2.324 10 30 BEEERN C[C@@H]1CCCN(c2ccc(/C(N)=N/O)cc2)[C@@H]1C ZINC000060117360 132368780 /nfs/dbraw/zinc/36/87/80/132368780.db2.gz PLVQBHNDICOVQZ-GHMZBOCLSA-N 0 0 247.342 2.406 10 30 BEEERN CC(C)(C#N)C(=O)NCCC1CCCC1 ZINC000044351688 322841402 /nfs/dbraw/zinc/84/14/02/322841402.db2.gz KYWNQHXFPHUJAS-UHFFFAOYSA-N 0 0 208.305 2.233 10 30 BEEERN C[C@H]1CC[C@@]2(CCN(c3nccc(C#N)n3)C2)C1 ZINC000408457627 133498011 /nfs/dbraw/zinc/49/80/11/133498011.db2.gz PSOILBFCUWWBET-SMDDNHRTSA-N 0 0 242.326 2.365 10 30 BEEERN C=CC(C)(C)C(=O)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000335097947 133764285 /nfs/dbraw/zinc/76/42/85/133764285.db2.gz DWUGQMNLBJAQLO-NWDGAFQWSA-N 0 0 249.354 2.226 10 30 BEEERN C[C@]1(NC(=O)[C@@H]2CCCCC(=O)N2)CCOC1 ZINC000329832740 133989563 /nfs/dbraw/zinc/98/95/63/133989563.db2.gz GDFYUUFGYOHNDE-CABZTGNLSA-N 0 0 240.303 2.021 10 30 BEEERN C[C@@H](C#N)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000336005654 134048989 /nfs/dbraw/zinc/04/89/89/134048989.db2.gz HHCHCMYUNKYDMJ-WFASDCNBSA-N 0 0 242.322 2.368 10 30 BEEERN Cc1oc(C#N)cc1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000336155356 134105853 /nfs/dbraw/zinc/10/58/53/134105853.db2.gz BABFJAYCOCLPEP-JOYOIKCWSA-N 0 0 230.267 2.084 10 30 BEEERN C[C@H](C#N)N1CCCc2ccccc2CC1 ZINC000336291381 134142169 /nfs/dbraw/zinc/14/21/69/134142169.db2.gz AXSFIZDUPQBODD-GFCCVEGCSA-N 0 0 214.312 2.389 10 30 BEEERN N#CCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557146 134215837 /nfs/dbraw/zinc/21/58/37/134215837.db2.gz LHJJSPDZRNVHEH-UHFFFAOYSA-N 0 0 234.274 2.192 10 30 BEEERN C=C(C)CN(CC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000121360384 134233142 /nfs/dbraw/zinc/23/31/42/134233142.db2.gz AVSBIJZQQCNRTP-VXGBXAGGSA-N 0 0 240.347 2.162 10 30 BEEERN N#CCCN1CCC[C@@H]1c1nccs1 ZINC000377501972 134243872 /nfs/dbraw/zinc/24/38/72/134243872.db2.gz XWSCTEMSWYRVJC-SECBINFHSA-N 0 0 207.302 2.194 10 30 BEEERN C[C@@H](C#N)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000182006395 134340838 /nfs/dbraw/zinc/34/08/38/134340838.db2.gz XPFJOAHFPFRKJD-GXTWGEPZSA-N 0 0 230.311 2.146 10 30 BEEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)ccc1O ZINC000227038016 134373758 /nfs/dbraw/zinc/37/37/58/134373758.db2.gz DVFQYIMLYKGQOS-NWDGAFQWSA-N 0 0 244.294 2.123 10 30 BEEERN CC(C)[C@H](C)CC(=O)N[C@@H](C#N)C1CC1 ZINC000108828939 134392006 /nfs/dbraw/zinc/39/20/06/134392006.db2.gz OOBQVCFHDKADKP-KOLCDFICSA-N 0 0 208.305 2.087 10 30 BEEERN Cc1ncsc1C(=O)NC1(C#N)CCCC1 ZINC000040222173 134603877 /nfs/dbraw/zinc/60/38/77/134603877.db2.gz ROOBOWSESXBVJR-UHFFFAOYSA-N 0 0 235.312 2.018 10 30 BEEERN C=CCCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125412393 134608061 /nfs/dbraw/zinc/60/80/61/134608061.db2.gz VIMNFTPNNOKYDC-UHFFFAOYSA-N 0 0 233.315 2.082 10 30 BEEERN Cc1cc(N[C@H]2CCC[C@@H]2C#N)nc(C2CC2)n1 ZINC000408329123 134724784 /nfs/dbraw/zinc/72/47/84/134724784.db2.gz MCXUPJLVASSATF-NEPJUHHUSA-N 0 0 242.326 2.189 10 30 BEEERN CC#CCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000135960064 134761380 /nfs/dbraw/zinc/76/13/80/134761380.db2.gz KGILZTSXFYEIBE-NSHDSACASA-N 0 0 232.283 2.149 10 30 BEEERN CCN(CCC#N)C(=O)c1ccc(C)nc1C ZINC000055330900 134777784 /nfs/dbraw/zinc/77/77/84/134777784.db2.gz NJYQSSCTPNENLL-UHFFFAOYSA-N 0 0 231.299 2.074 10 30 BEEERN COc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061889257 134803950 /nfs/dbraw/zinc/80/39/50/134803950.db2.gz LKVVRULCOZSMOV-WCQYABFASA-N 0 0 244.294 2.117 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1O ZINC000061889216 134804261 /nfs/dbraw/zinc/80/42/61/134804261.db2.gz YPJRGQUASDLTHS-NEPJUHHUSA-N 0 0 244.294 2.123 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)o1 ZINC000061888772 134804316 /nfs/dbraw/zinc/80/43/16/134804316.db2.gz MRXOREWAVLYEHA-ZJUUUORDSA-N 0 0 218.256 2.010 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000061889228 134804407 /nfs/dbraw/zinc/80/44/07/134804407.db2.gz JNSQQXSAALXRDN-PWSUYJOCSA-N 0 0 232.258 2.248 10 30 BEEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)o1 ZINC000061888774 134804832 /nfs/dbraw/zinc/80/48/32/134804832.db2.gz MRXOREWAVLYEHA-UWVGGRQHSA-N 0 0 218.256 2.010 10 30 BEEERN C=CCNC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000111432646 134967743 /nfs/dbraw/zinc/96/77/43/134967743.db2.gz HOHOVKIJDPLGSZ-MFKMUULPSA-N 0 0 230.311 2.405 10 30 BEEERN C[C@@H](C#N)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248458868 135012482 /nfs/dbraw/zinc/01/24/82/135012482.db2.gz NEYNHKPCJZXCHB-GXFFZTMASA-N 0 0 234.274 2.191 10 30 BEEERN COc1ccc([C@@H]2C[C@H](C)N(CC#N)C2)cc1 ZINC000076390309 135033583 /nfs/dbraw/zinc/03/35/83/135033583.db2.gz VHJQFFJQUFPYEY-WCQYABFASA-N 0 0 230.311 2.397 10 30 BEEERN C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000252649424 135093117 /nfs/dbraw/zinc/09/31/17/135093117.db2.gz WYPJNFWAUIMDGB-WOPDTQHZSA-N 0 0 235.331 2.120 10 30 BEEERN Cc1csc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000259662144 135143917 /nfs/dbraw/zinc/14/39/17/135143917.db2.gz AMIHDXUPODWFPH-UWVGGRQHSA-N 0 0 234.324 2.479 10 30 BEEERN C=CCN(C)CC(=O)Nc1cccc(C)c1 ZINC000121238116 135222268 /nfs/dbraw/zinc/22/22/68/135222268.db2.gz WMQGDBHDXDTZHI-UHFFFAOYSA-N 0 0 218.300 2.051 10 30 BEEERN CC(C)c1nn(C)cc1NC(=O)C(C)(C)C#N ZINC000280219914 135368777 /nfs/dbraw/zinc/36/87/77/135368777.db2.gz LBCZUWLOZSUJCC-UHFFFAOYSA-N 0 0 234.303 2.032 10 30 BEEERN O=C(NC1(C(F)F)CC1)[C@@H]1CCCC(=O)N1 ZINC000328650430 135463318 /nfs/dbraw/zinc/46/33/18/135463318.db2.gz AZHOJNZRYXQXMH-LURJTMIESA-N 0 0 232.230 2.250 10 30 BEEERN C=CCCCN(C)C(=O)c1ccc(C)nc1 ZINC000135092090 135552716 /nfs/dbraw/zinc/55/27/16/135552716.db2.gz PCDWBFKEMYIQLD-UHFFFAOYSA-N 0 0 218.300 2.428 10 30 BEEERN CC1=CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000335156409 135914081 /nfs/dbraw/zinc/91/40/81/135914081.db2.gz QPLYNBAIFAKATR-RYUDHWBXSA-N 0 0 233.315 2.040 10 30 BEEERN C#C[C@H](NN)c1cc2cscc2s1 ZINC000575594171 397993365 /nfs/dbraw/zinc/99/33/65/397993365.db2.gz XLOFDVZYBNLYIS-ZETCQYMHSA-N 0 0 208.311 2.100 10 30 BEEERN COCc1ccc2c(c1)CC[C@@H](C=O)C2 ZINC000584626020 398079585 /nfs/dbraw/zinc/07/95/85/398079585.db2.gz BQWJGWPNZJYQKQ-SNVBAGLBSA-N 0 0 204.269 2.137 10 30 BEEERN C#C[C@@H](C)Oc1nc(Cl)c(C#N)s1 ZINC000307402719 398103110 /nfs/dbraw/zinc/10/31/10/398103110.db2.gz BKMDLPMWGURLAN-RXMQYKEDSA-N 0 0 212.661 2.069 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061889281 398108149 /nfs/dbraw/zinc/10/81/49/398108149.db2.gz PCDCROSOIBHNDP-QWHCGFSZSA-N 0 0 228.295 2.417 10 30 BEEERN CCOC(=O)/C=N/[C@H](C)c1ccccc1 ZINC000114814213 322914626 /nfs/dbraw/zinc/91/46/26/322914626.db2.gz VHFZIBNRJPBOBX-QQMDNXKGSA-N 0 0 205.257 2.382 10 30 BEEERN CC(C)O[C@@H]1CC(OC2CC2)=CC(C#N)=N1 ZINC000095736437 167281193 /nfs/dbraw/zinc/28/11/93/167281193.db2.gz IOTVFLHFWCQOAG-GFCCVEGCSA-N 0 0 220.272 2.169 10 30 BEEERN C#CCC[C@@H](O)Cc1ccc(OC)c(OC)c1 ZINC000104348214 166152392 /nfs/dbraw/zinc/15/23/92/166152392.db2.gz FOHKVMFHIHOMTE-GFCCVEGCSA-N 0 0 234.295 2.021 10 30 BEEERN C#CC[NH2+][C@@]1(C(=O)[O-])CCCC[C@@H]1C(C)(C)C ZINC000041730616 166191133 /nfs/dbraw/zinc/19/11/33/166191133.db2.gz YZLXNNNZIXSCAJ-RISCZKNCSA-N 0 0 237.343 2.269 10 30 BEEERN C#Cc1cccc(NCc2c[nH]c(C)n2)c1 ZINC000054797678 166223607 /nfs/dbraw/zinc/22/36/07/166223607.db2.gz QVOMLDSMYRYFIZ-UHFFFAOYSA-N 0 0 211.268 2.312 10 30 BEEERN C#Cc1cccc(N[C@@H](C)C(=O)N[C@@H](C)CC)c1 ZINC000020369664 166223864 /nfs/dbraw/zinc/22/38/64/166223864.db2.gz NZRUZBOAUHBOSG-RYUDHWBXSA-N 0 0 244.338 2.383 10 30 BEEERN C=CCN(C(=O)c1sccc1N)C(C)C ZINC000040329048 166314518 /nfs/dbraw/zinc/31/45/18/166314518.db2.gz KUEWIEMGHQXHSO-UHFFFAOYSA-N 0 0 224.329 2.367 10 30 BEEERN C=CCNC(=O)CNc1ccc(C)cc1C ZINC000032013303 166370413 /nfs/dbraw/zinc/37/04/13/166370413.db2.gz LDTDHWNQPWUUFY-UHFFFAOYSA-N 0 0 218.300 2.018 10 30 BEEERN C=CCNC(=O)N[C@@H](C)COCc1ccccc1 ZINC000173983678 166379262 /nfs/dbraw/zinc/37/92/62/166379262.db2.gz USMBLDLKKUBZGD-LBPRGKRZSA-N 0 0 248.326 2.077 10 30 BEEERN C=CCNC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000040308691 166392181 /nfs/dbraw/zinc/39/21/81/166392181.db2.gz QEOBVCXWQQKVNP-UHFFFAOYSA-N 0 0 245.109 2.491 10 30 BEEERN C=CCNCC(=O)c1ccc(OCC)cc1 ZINC000041613139 166399259 /nfs/dbraw/zinc/39/92/59/166399259.db2.gz VOVKJOVPFFFTMF-UHFFFAOYSA-N 0 0 219.284 2.044 10 30 BEEERN C=CCNCC(=O)c1cc(C)c(OC)cc1C ZINC000049822914 166399636 /nfs/dbraw/zinc/39/96/36/166399636.db2.gz SYKBTTZKSHPMMP-UHFFFAOYSA-N 0 0 233.311 2.270 10 30 BEEERN C=CC[NH2+][C@](CC)(C(=O)[O-])c1ccc(C)cc1 ZINC000041731685 166408464 /nfs/dbraw/zinc/40/84/64/166408464.db2.gz RKXCJBPFINGHDH-AWEZNQCLSA-N 0 0 233.311 2.461 10 30 BEEERN CC(C)(C)C(=O)N(CC#N)C1CCCC1 ZINC000057495521 166525070 /nfs/dbraw/zinc/52/50/70/166525070.db2.gz VPQACPDJLWHONX-UHFFFAOYSA-N 0 0 208.305 2.327 10 30 BEEERN CC(C)(C)C(=O)Nc1ccccc1C#CCCO ZINC000037549818 166534742 /nfs/dbraw/zinc/53/47/42/166534742.db2.gz BNUTYYQJBOZIEL-UHFFFAOYSA-N 0 0 245.322 2.405 10 30 BEEERN CC(C)(C)OCCOc1cccc(C#CCO)c1 ZINC000049621470 166682309 /nfs/dbraw/zinc/68/23/09/166682309.db2.gz OPLDIDQJTSZPCJ-UHFFFAOYSA-N 0 0 248.322 2.224 10 30 BEEERN CC(C)CN[C@H](C#N)c1ccc2c(c1)OCCO2 ZINC000020175586 167013528 /nfs/dbraw/zinc/01/35/28/167013528.db2.gz NNCUTIVSIQPAAT-GFCCVEGCSA-N 0 0 246.310 2.268 10 30 BEEERN CC(C)NC(=O)N(C)c1cccc(C#N)c1 ZINC000059095320 167066402 /nfs/dbraw/zinc/06/64/02/167066402.db2.gz WMYLCLSJSLFOSL-UHFFFAOYSA-N 0 0 217.272 2.112 10 30 BEEERN CC(C)NC(=S)N/N=C/[C@@H]1CC=CCC1 ZINC000005446059 167092272 /nfs/dbraw/zinc/09/22/72/167092272.db2.gz VGGXXGXEAMUKMH-ZDIKFAODSA-N 0 0 225.361 2.201 10 30 BEEERN CC(C)OC(=O)CNc1ccc(CC#N)cc1 ZINC000051601162 167158928 /nfs/dbraw/zinc/15/89/28/167158928.db2.gz ASOBPIOVTRMZPM-UHFFFAOYSA-N 0 0 232.283 2.116 10 30 BEEERN C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](CCC)C1 ZINC000652429030 411241660 /nfs/dbraw/zinc/24/16/60/411241660.db2.gz SMKDCFHEAISKDC-GHMZBOCLSA-N 0 0 211.305 2.138 10 30 BEEERN C=C[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000659802212 411293630 /nfs/dbraw/zinc/29/36/30/411293630.db2.gz OXRRDCCYYPBTJK-VXGBXAGGSA-N 0 0 223.316 2.138 10 30 BEEERN C=C[C@@H](C(=O)[O-])[NH+]1CCC(C2CCC2)CC1 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/nfs/dbraw/zinc/17/64/32/170176432.db2.gz RWVYXGHZASIHAQ-UHFFFAOYSA-N 0 0 241.298 2.268 10 30 BEEERN CCO/C(C)=N/S(=O)(=O)c1ccc(C)cc1 ZINC000103599742 170179149 /nfs/dbraw/zinc/17/91/49/170179149.db2.gz RFRBSBOTAXJOEJ-ZRDIBKRKSA-N 0 0 241.312 2.139 10 30 BEEERN CCO/C=C/C(=O)c1ccc2c(c1)OCCO2 ZINC000104195108 170179670 /nfs/dbraw/zinc/17/96/70/170179670.db2.gz XWTCVXWFWXGTCL-AATRIKPKSA-N 0 0 234.251 2.191 10 30 BEEERN CCOC(=O)C(C)=NNc1ccc(F)c(F)c1 ZINC000044184684 170182693 /nfs/dbraw/zinc/18/26/93/170182693.db2.gz IHPUBZBBOOKYLD-AUWJEWJLSA-N 0 0 242.225 2.316 10 30 BEEERN CCOC(=O)C(O)=CC(=O)c1ccccc1F ZINC000101986160 170182744 /nfs/dbraw/zinc/18/27/44/170182744.db2.gz TXVLHHIWTVNBEJ-XFFZJAGNSA-N 0 0 238.214 2.013 10 30 BEEERN CCOC(=O)C(Cl)=NNc1ccc(F)cc1 ZINC000095686602 170182750 /nfs/dbraw/zinc/18/27/50/170182750.db2.gz VVERUMZUZIFIQN-NTEUORMPSA-N 0 0 244.653 2.353 10 30 BEEERN CCOC(=O)CS[C@@H]1CCCC[C@@H]1C#N ZINC000036337229 170230012 /nfs/dbraw/zinc/23/00/12/170230012.db2.gz 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CCOC(=O)[C@@H](C#N)Cc1ccc(CC)cc1 ZINC000074467744 170244628 /nfs/dbraw/zinc/24/46/28/170244628.db2.gz BDCBZYDGNFSMLI-CYBMUJFWSA-N 0 0 231.295 2.494 10 30 BEEERN CCOC(=O)[C@@H](C#N)c1cc(C)ccc1OC ZINC000049822765 170244631 /nfs/dbraw/zinc/24/46/31/170244631.db2.gz JQLXSPGRSWIWQS-NSHDSACASA-N 0 0 233.267 2.174 10 30 BEEERN CCOC(=O)[C@H](C)/N=C\c1ccccc1 ZINC000100219930 170263855 /nfs/dbraw/zinc/26/38/55/170263855.db2.gz LYZBDHZAIXLWRM-AVMBBCFPSA-N 0 0 205.257 2.057 10 30 BEEERN CCOC(=O)[C@H](C#N)c1cc(C)ccc1OC ZINC000049822766 170263933 /nfs/dbraw/zinc/26/39/33/170263933.db2.gz JQLXSPGRSWIWQS-LLVKDONJSA-N 0 0 233.267 2.174 10 30 BEEERN CCOC(=O)[C@H](C#N)c1c(F)cccc1F ZINC000090462713 170264305 /nfs/dbraw/zinc/26/43/05/170264305.db2.gz ZVRUFDCUSRATQM-SSDOTTSWSA-N 0 0 225.194 2.135 10 30 BEEERN CCOC(=O)[C@H](C)Nc1cc(C)ccc1C#N ZINC000051579932 170268791 /nfs/dbraw/zinc/26/87/91/170268791.db2.gz HKBKGSHWSHKIQR-JTQLQIEISA-N 0 0 232.283 2.230 10 30 BEEERN CCOC(=O)[C@H](C)Nc1cccc(F)c1C#N 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/nfs/dbraw/zinc/15/32/51/171153251.db2.gz XSEOADNQJFPJBS-VIFPVBQESA-N 0 0 238.287 2.455 10 30 BEEERN CC[C@H](C#N)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000051632424 171218117 /nfs/dbraw/zinc/21/81/17/171218117.db2.gz HIFQUWIOBZYYHI-BXUZGUMPSA-N 0 0 242.322 2.210 10 30 BEEERN CC[C@H](C#N)Oc1cccc(N(C)C)c1 ZINC000043557422 171219832 /nfs/dbraw/zinc/21/98/32/171219832.db2.gz GBCZBLCTFRIKSJ-LLVKDONJSA-N 0 0 204.273 2.434 10 30 BEEERN CC[C@H](C)C(=O)Nc1ccccc1C#CCO ZINC000037548408 171255940 /nfs/dbraw/zinc/25/59/40/171255940.db2.gz SALFZNVBSJKESH-NSHDSACASA-N 0 0 231.295 2.015 10 30 BEEERN CC[C@H](C)N(CC)C(=O)[C@H](C#N)C(C)C ZINC000044815171 171311815 /nfs/dbraw/zinc/31/18/15/171311815.db2.gz LFTNNFHNWSMDDI-WDEREUQCSA-N 0 0 210.321 2.429 10 30 BEEERN CC[C@H](C)NC(=O)[C@H](C)Oc1cccc(C#N)c1 ZINC000020363209 171335851 /nfs/dbraw/zinc/33/58/51/171335851.db2.gz BNMFBHNZJGNANQ-QWRGUYRKSA-N 0 0 246.310 2.240 10 30 BEEERN CC[C@H](C)N[C@@H](C#N)c1cccc(O)c1 ZINC000038064691 171344938 /nfs/dbraw/zinc/34/49/38/171344938.db2.gz GUPJZJYYVZFTKP-CABZTGNLSA-N 0 0 204.273 2.345 10 30 BEEERN CC[C@H](C)OCc1ccc(C#CCO)cc1F ZINC000049622028 171355243 /nfs/dbraw/zinc/35/52/43/171355243.db2.gz NRRSRHCLVLAKKH-NSHDSACASA-N 0 0 236.286 2.485 10 30 BEEERN CC[C@H](C)[C@H](C#N)NC(=O)OC(C)(C)C ZINC000039093714 171383116 /nfs/dbraw/zinc/38/31/16/171383116.db2.gz FZTVKXQXWQJUTR-IUCAKERBSA-N 0 0 212.293 2.449 10 30 BEEERN CCc1nc2cc(OC[C@H]3CO3)ccc2o1 ZINC000039102156 172011948 /nfs/dbraw/zinc/01/19/48/172011948.db2.gz QTTVBJDNOFPCPS-VIFPVBQESA-N 0 0 219.240 2.168 10 30 BEEERN CCc1ncc(CN[C@@H]2CCC[C@H]2C#N)s1 ZINC000061892676 172018963 /nfs/dbraw/zinc/01/89/63/172018963.db2.gz BAIUZJDIQRJWEI-GXSJLCMTSA-N 0 0 235.356 2.487 10 30 BEEERN CCc1ncc(CN[C@H]2CCC[C@@H]2C#N)s1 ZINC000061892675 172020840 /nfs/dbraw/zinc/02/08/40/172020840.db2.gz BAIUZJDIQRJWEI-KOLCDFICSA-N 0 0 235.356 2.487 10 30 BEEERN CCc1nnc(N[C@H]2C[C@@H]2C)c(C#N)c1CC ZINC000123328977 172062501 /nfs/dbraw/zinc/06/25/01/172062501.db2.gz ZPZHLYZFDDESFN-UFBFGSQYSA-N 0 0 230.315 2.293 10 30 BEEERN CCC1N=NC(=S)N1N=Cc1cccs1 ZINC000035418200 172062874 /nfs/dbraw/zinc/06/28/74/172062874.db2.gz GPZVSADKMICNBK-POHAHGRESA-N 0 0 238.341 2.073 10 30 BEEERN CN(CCC#N)C(=O)CSC1CCCCC1 ZINC000037485621 172664224 /nfs/dbraw/zinc/66/42/24/172664224.db2.gz OQMAXDVZLQQNPR-UHFFFAOYSA-N 0 0 240.372 2.424 10 30 BEEERN CN(CCC#N)c1ccc(N)c(OC(C)(C)C)n1 ZINC000037066579 172666597 /nfs/dbraw/zinc/66/65/97/172666597.db2.gz OYMFGJSBCFSODM-UHFFFAOYSA-N 0 0 248.330 2.191 10 30 BEEERN CN[C@@H](C#N)CCOc1ccc(C)cc1C ZINC000019667030 173410069 /nfs/dbraw/zinc/41/00/69/173410069.db2.gz ZHFQAPUOTOUCNI-GFCCVEGCSA-N 0 0 218.300 2.184 10 30 BEEERN CNc1c(C#N)cnc2c(OC)cccc21 ZINC000050842088 173470437 /nfs/dbraw/zinc/47/04/37/173470437.db2.gz LBZQGWVMXWZMKL-UHFFFAOYSA-N 0 0 213.240 2.157 10 30 BEEERN COCCC(=O)[C@H](C#N)c1cc(F)cc(F)c1 ZINC000049350461 174138556 /nfs/dbraw/zinc/13/85/56/174138556.db2.gz 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COCCN[C@@H](C#N)c1cccc(Cl)c1 ZINC000020173917 174336969 /nfs/dbraw/zinc/33/69/69/174336969.db2.gz JKSAOFHKYIDKDL-NSHDSACASA-N 0 0 224.691 2.141 10 30 BEEERN COCCN[C@]1(C#N)C[C@H](C)CC(C)(C)C1 ZINC000053256374 174340725 /nfs/dbraw/zinc/34/07/25/174340725.db2.gz TZNYWEARRHETJD-DGCLKSJQSA-N 0 0 224.348 2.331 10 30 BEEERN COCCOc1ccc(C)cc1/C(C)=N/O ZINC000035629184 174367968 /nfs/dbraw/zinc/36/79/68/174367968.db2.gz IRBUCVQSFSONQO-JLHYYAGUSA-N 0 0 223.272 2.218 10 30 BEEERN COC[C@](C)(C#N)Nc1ccccc1F ZINC000053198776 174614558 /nfs/dbraw/zinc/61/45/58/174614558.db2.gz ZTEBBQUMKUAQNL-NSHDSACASA-N 0 0 208.236 2.166 10 30 BEEERN COc1cc(OC)c(C#N)cc1Br ZINC000036181637 175006672 /nfs/dbraw/zinc/00/66/72/175006672.db2.gz BMRIEZILLOGZAN-UHFFFAOYSA-N 0 0 242.072 2.338 10 30 BEEERN COc1cc(OC)cc(C(=O)[C@H](C)CC#N)c1 ZINC000048259138 175010367 /nfs/dbraw/zinc/01/03/67/175010367.db2.gz IFWGVPFPHXTHML-SECBINFHSA-N 0 0 233.267 2.436 10 30 BEEERN COc1ccc(-c2nc(CC#N)no2)c(C)c1 ZINC000073641414 175038585 /nfs/dbraw/zinc/03/85/85/175038585.db2.gz ICRZYIVIRDWVIW-UHFFFAOYSA-N 0 0 229.239 2.120 10 30 BEEERN COc1ccc(C)cc1C(=O)N[C@@H](C)CC#N ZINC000050337149 175073222 /nfs/dbraw/zinc/07/32/22/175073222.db2.gz SSBBLSWYCXXWJB-JTQLQIEISA-N 0 0 232.283 2.036 10 30 BEEERN COc1ccc(Cl)cc1N(C)CC#N ZINC000049814843 175121100 /nfs/dbraw/zinc/12/11/00/175121100.db2.gz GWSGWSMRWUOFJL-UHFFFAOYSA-N 0 0 210.664 2.308 10 30 BEEERN COc1ccc(OCC=O)c(Br)c1 ZINC000019776809 175171652 /nfs/dbraw/zinc/17/16/52/175171652.db2.gz GJWAESBNSDLJGI-UHFFFAOYSA-N 0 0 245.072 2.035 10 30 BEEERN COc1ccc(N)c(C(=O)OCCCCC#N)c1 ZINC000049579292 175137437 /nfs/dbraw/zinc/13/74/37/175137437.db2.gz QJWKFMXZERZTRL-UHFFFAOYSA-N 0 0 248.282 2.128 10 30 BEEERN COc1ccc(N[C@@H]2CCC[C@H]2C#N)cn1 ZINC000054822769 175154125 /nfs/dbraw/zinc/15/41/25/175154125.db2.gz UFRQOVQTJSFYAB-GXSJLCMTSA-N 0 0 217.272 2.194 10 30 BEEERN COc1ccc(O)c2c1C(=O)C=CC2(C)C ZINC000028874206 175160158 /nfs/dbraw/zinc/16/01/58/175160158.db2.gz GUEJUUZODTWGBB-UHFFFAOYSA-N 0 0 218.252 2.431 10 30 BEEERN COc1ccc(OC)c(-c2cc(C#N)no2)c1 ZINC000032015878 175162792 /nfs/dbraw/zinc/16/27/92/175162792.db2.gz SJFXEXQTJVEMIE-UHFFFAOYSA-N 0 0 230.223 2.230 10 30 BEEERN COc1ccc(OC)c(/C=C/C(C)=O)c1 ZINC000038235551 175163224 /nfs/dbraw/zinc/16/32/24/175163224.db2.gz YGGXEEJZKRLTGV-SNAWJCMRSA-N 0 0 206.241 2.306 10 30 BEEERN COc1ccc(OC)c(C(=O)C[C@@H](C)C#N)c1 ZINC000043368312 175164776 /nfs/dbraw/zinc/16/47/76/175164776.db2.gz HUZZHRNAQFGLTQ-SECBINFHSA-N 0 0 233.267 2.436 10 30 BEEERN COc1ccc(OC)c2c(CC#N)c[nH]c21 ZINC000021995021 175169447 /nfs/dbraw/zinc/16/94/47/175169447.db2.gz FNWXIEDNCPOANK-UHFFFAOYSA-N 0 0 216.240 2.251 10 30 BEEERN COc1ccc([C@@H]2CC(=O)CC(=O)[C@H]2C#N)cc1 ZINC000100905393 175181959 /nfs/dbraw/zinc/18/19/59/175181959.db2.gz RKTYGMKBIVSGQB-STQMWFEESA-N 0 0 243.262 2.333 10 30 BEEERN COc1ccc2[nH]c(SC[C@H]3CO3)nc2c1 ZINC000019863882 175229037 /nfs/dbraw/zinc/22/90/37/175229037.db2.gz KWTXRCMYRDCUGY-MRVPVSSYSA-N 0 0 236.296 2.062 10 30 BEEERN COc1ccc2[nH]c(SC[C@@H]3CO3)nc2c1 ZINC000019863877 175229448 /nfs/dbraw/zinc/22/94/48/175229448.db2.gz KWTXRCMYRDCUGY-QMMMGPOBSA-N 0 0 236.296 2.062 10 30 BEEERN COc1cccc(N[C@H](C#N)C2CC2)c1 ZINC000041047360 175279652 /nfs/dbraw/zinc/27/96/52/175279652.db2.gz PQAXPFKCPYDUAT-GFCCVEGCSA-N 0 0 202.257 2.409 10 30 BEEERN COc1cccc([C@H](C#N)N2CCCC2)c1 ZINC000019934317 175291932 /nfs/dbraw/zinc/29/19/32/175291932.db2.gz PLGQVDIRDKWFKZ-ZDUSSCGKSA-N 0 0 216.284 2.356 10 30 BEEERN COc1ccccc1C[C@@](C)(C#N)N(C)C ZINC000037735072 175333208 /nfs/dbraw/zinc/33/32/08/175333208.db2.gz BIMQLGMKDYXWAI-ZDUSSCGKSA-N 0 0 218.300 2.082 10 30 BEEERN COc1ccccc1C[C@](C)(C#N)NC1CC1 ZINC000037734977 175333883 /nfs/dbraw/zinc/33/38/83/175333883.db2.gz PIMLKMDEEWKZSE-CQSZACIVSA-N 0 0 230.311 2.272 10 30 BEEERN COc1ccccc1[C@H](C#N)NC[C@H]1CCCO1 ZINC000037940021 175350734 /nfs/dbraw/zinc/35/07/34/175350734.db2.gz HSPYKZIHFRWFHI-YPMHNXCESA-N 0 0 246.310 2.028 10 30 BEEERN COc1ccccc1[C@H](O)C(C)(C)C#N ZINC000075606195 175354521 /nfs/dbraw/zinc/35/45/21/175354521.db2.gz CJTGZOMQOMBOFO-NSHDSACASA-N 0 0 205.257 2.278 10 30 BEEERN CSc1c(C#N)ccc(N(C)C)c1F ZINC000075927508 175571529 /nfs/dbraw/zinc/57/15/29/175571529.db2.gz IVUKOPPPXNWHLA-UHFFFAOYSA-N 0 0 210.277 2.485 10 30 BEEERN C[C@@H](O)c1cc(F)ccc1N(C)C[C@@H](C)C#N ZINC000042456019 175596167 /nfs/dbraw/zinc/59/61/67/175596167.db2.gz KZFSJRBIGAIBNF-VHSXEESVSA-N 0 0 236.290 2.475 10 30 BEEERN C[C@@H](OCCC/C(N)=N/O)c1ccccc1 ZINC000019519479 176002232 /nfs/dbraw/zinc/00/22/32/176002232.db2.gz QMNOQSALJSGOJB-SNVBAGLBSA-N 0 0 222.288 2.291 10 30 BEEERN C[C@@H](Oc1ccccc1)c1nc(CC#N)no1 ZINC000073641458 176005768 /nfs/dbraw/zinc/00/57/68/176005768.db2.gz FOMOUCABWXETFA-SECBINFHSA-N 0 0 229.239 2.276 10 30 BEEERN C[C@@H](S)c1nnc([C@H](N)C(C)(C)C)o1 ZINC000083348406 176007214 /nfs/dbraw/zinc/00/72/14/176007214.db2.gz CKRFNAZACSBEPS-RITPCOANSA-N 0 0 215.322 2.106 10 30 BEEERN C[C@@H](SCC#N)C(=O)OCc1ccccc1 ZINC000082692366 176007293 /nfs/dbraw/zinc/00/72/93/176007293.db2.gz KQAPKWDUCHTYJN-SNVBAGLBSA-N 0 0 235.308 2.375 10 30 BEEERN C[C@@H]1COC[C@@H](C)N1Cc1cc(F)ccc1C#N ZINC000160573076 176346564 /nfs/dbraw/zinc/34/65/64/176346564.db2.gz NEDOQEJAHVOYKY-GHMZBOCLSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@@H]1OCCC[C@H]1C(=O)Oc1ccc(C#N)cc1 ZINC000192190978 176464341 /nfs/dbraw/zinc/46/43/41/176464341.db2.gz AXKJWXMEBGBCME-GXFFZTMASA-N 0 0 245.278 2.279 10 30 BEEERN C[C@H](C#N)CNC(=O)C[C@H](C)C(C)(C)C ZINC000066737989 176552945 /nfs/dbraw/zinc/55/29/45/176552945.db2.gz WOTJJUKZKFTIJQ-ZJUUUORDSA-N 0 0 210.321 2.335 10 30 BEEERN C[C@H](C#N)CN(C)c1ccc(N)cc1F ZINC000042455110 176553003 /nfs/dbraw/zinc/55/30/03/176553003.db2.gz UPJXSLYZXNHOAI-MRVPVSSYSA-N 0 0 207.252 2.004 10 30 BEEERN C[C@H](CC#N)N(C)c1nc2c(cc1C#N)CCC2 ZINC000063093656 176596306 /nfs/dbraw/zinc/59/63/06/176596306.db2.gz JARJGNQSADZMAY-SNVBAGLBSA-N 0 0 240.310 2.180 10 30 BEEERN C[C@H](Oc1ccccc1F)C(=O)/C=C\N(C)C ZINC000100096382 177024845 /nfs/dbraw/zinc/02/48/45/177024845.db2.gz HYCKICMHCPYMRZ-QROTZFDESA-N 0 0 237.274 2.237 10 30 BEEERN C[C@@H]1COC[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000120916216 177298666 /nfs/dbraw/zinc/29/86/66/177298666.db2.gz QURWOTFCZRSVLU-PHIMTYICSA-N 0 0 248.301 2.307 10 30 BEEERN C[C@@H]1COC[C@H](C)N1Cc1cccc(C#N)c1 ZINC000077367498 177299185 /nfs/dbraw/zinc/29/91/85/177299185.db2.gz DDCGJXYAYDVKIK-TXEJJXNPSA-N 0 0 230.311 2.167 10 30 BEEERN C[C@H]1C[C@@H]1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000040360710 177341001 /nfs/dbraw/zinc/34/10/01/177341001.db2.gz HLOMTOGKILBXIY-DLOVCJGASA-N 0 0 220.316 2.231 10 30 BEEERN C[C@H]1C[C@@H]1CN(C)c1cc(C#N)ccn1 ZINC000104420812 177342835 /nfs/dbraw/zinc/34/28/35/177342835.db2.gz JJIYCDMFEHVYRC-GXSJLCMTSA-N 0 0 201.273 2.045 10 30 BEEERN C[C@H]1C[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000075981704 177347034 /nfs/dbraw/zinc/34/70/34/177347034.db2.gz WFQLXBYHWUBWAG-GWCFXTLKSA-N 0 0 243.310 2.108 10 30 BEEERN C[C@H]1C[C@H](OCC/C(N)=N/O)CC(C)(C)C1 ZINC000026513261 177374444 /nfs/dbraw/zinc/37/44/44/177374444.db2.gz BBGPMNWNKWTDGS-UWVGGRQHSA-N 0 0 228.336 2.354 10 30 BEEERN C[C@H]1C[C@H]1CN(C)C(=O)c1ccc(C#N)cc1 ZINC000104413842 177378348 /nfs/dbraw/zinc/37/83/48/177378348.db2.gz NOHQUMBSWSDQRT-GWCFXTLKSA-N 0 0 228.295 2.286 10 30 BEEERN C[C@H]1C[C@H]1CN(C)c1cc(C#N)ccn1 ZINC000104420819 177379003 /nfs/dbraw/zinc/37/90/03/177379003.db2.gz JJIYCDMFEHVYRC-ONGXEEELSA-N 0 0 201.273 2.045 10 30 BEEERN Cc1c(C)n(C[C@H]2CCCCO2)c(N)c1C#N ZINC000049776566 177556812 /nfs/dbraw/zinc/55/68/12/177556812.db2.gz YOQQOIZSBHKVEM-LLVKDONJSA-N 0 0 233.315 2.128 10 30 BEEERN C[C@H](CC[C@@H]1OC1(C)C)[C@@H]1C=CC(=O)[C@@H](O)C1 ZINC000504014465 226338046 /nfs/dbraw/zinc/33/80/46/226338046.db2.gz DLJDPQQYQRPMKG-AAXDQBDMSA-N 0 0 238.327 2.086 10 30 BEEERN N#Cc1ccc(CN[C@H]2COc3ccccc32)o1 ZINC000135176636 269962325 /nfs/dbraw/zinc/96/23/25/269962325.db2.gz LIOCTOQTJIBNNG-ZDUSSCGKSA-N 0 0 240.262 2.375 10 30 BEEERN C[C@H]1CC[C@H](O)CN1c1cccc(F)c1C#N ZINC000399326559 267223815 /nfs/dbraw/zinc/22/38/15/267223815.db2.gz LUPDSMZEJHYIJI-UWVGGRQHSA-N 0 0 234.274 2.047 10 30 BEEERN C=CCN(CC=C)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250510063 487733992 /nfs/dbraw/zinc/73/39/92/487733992.db2.gz AKVAPNXFWVSOQS-ZSBIGDGJSA-N 0 0 205.301 2.233 10 30 BEEERN N#Cc1ccccc1[C@@H]1CNC(=O)C12CCCC2 ZINC000536954689 323963662 /nfs/dbraw/zinc/96/36/62/323963662.db2.gz SBAXOZJIZVIFKB-ZDUSSCGKSA-N 0 0 240.306 2.332 10 30 BEEERN Cn1ccc(-c2ccc(C#N)cc2)c1C=O ZINC000536960326 323973497 /nfs/dbraw/zinc/97/34/97/323973497.db2.gz ZQPNYUVQMUTLSL-UHFFFAOYSA-N 0 0 210.236 2.376 10 30 BEEERN CC(C)[C@H](C)CNC(=O)C1(C#N)CC(C)C1 ZINC000122384105 324042665 /nfs/dbraw/zinc/04/26/65/324042665.db2.gz VHOFYCUNDPBZDF-QWKFWESOSA-N 0 0 222.332 2.335 10 30 BEEERN C[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(C#N)c2)O1 ZINC000130448751 325053274 /nfs/dbraw/zinc/05/32/74/325053274.db2.gz GCOMFFWVZYADEZ-QPUJVOFHSA-N 0 0 248.257 2.203 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1O ZINC000061889215 488066128 /nfs/dbraw/zinc/06/61/28/488066128.db2.gz YPJRGQUASDLTHS-VXGBXAGGSA-N 0 0 244.294 2.123 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@@]1(C)c1ccc(C)cc1 ZINC000234592252 582461018 /nfs/dbraw/zinc/46/10/18/582461018.db2.gz XOLIHGMDOUFQLQ-RYUDHWBXSA-N 0 0 240.686 2.349 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@]1(C)c1ccc(C)cc1 ZINC000234597754 582461190 /nfs/dbraw/zinc/46/11/90/582461190.db2.gz XOLIHGMDOUFQLQ-NEPJUHHUSA-N 0 0 240.686 2.349 10 30 BEEERN C=CC(=O)c1ncc(-c2cccnc2)o1 ZINC000103420061 518681615 /nfs/dbraw/zinc/68/16/15/518681615.db2.gz RQPJYXGEVIZWBX-UHFFFAOYSA-N 0 0 200.197 2.105 10 30 BEEERN CC(C)(C)OC(=O)N1CC[C@H](C#N)C(F)(F)C1 ZINC000238856119 518815721 /nfs/dbraw/zinc/81/57/21/518815721.db2.gz UVXFNHDLZNXSQF-MRVPVSSYSA-N 0 0 246.257 2.402 10 30 BEEERN C=C[C@@H](OC(C)=O)c1ccc(OC)cc1 ZINC000002000868 519296647 /nfs/dbraw/zinc/29/66/47/519296647.db2.gz VGSCGPYUCPWRQY-GFCCVEGCSA-N 0 0 206.241 2.485 10 30 BEEERN CC(=O)N(Cc1ccccc1)[C@H](C#N)C1CC1 ZINC000095532484 519467488 /nfs/dbraw/zinc/46/74/88/519467488.db2.gz FAEHFPGKWSDXEJ-CQSZACIVSA-N 0 0 228.295 2.337 10 30 BEEERN C=C(Cl)CN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248818427 534442258 /nfs/dbraw/zinc/44/22/58/534442258.db2.gz IVMGXPZBCWBTMK-HBNTYKKESA-N 0 0 243.734 2.012 10 30 BEEERN C=CC(C)(C)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000336239042 534495671 /nfs/dbraw/zinc/49/56/71/534495671.db2.gz PDRJHDADKGWSCJ-NWDGAFQWSA-N 0 0 237.343 2.369 10 30 BEEERN C=CCCC(=O)NCCCCSC ZINC000125650895 534613919 /nfs/dbraw/zinc/61/39/19/534613919.db2.gz SOIANSWEUYJBTE-UHFFFAOYSA-N 0 0 201.335 2.212 10 30 BEEERN C=C[C@H](C)NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000128426452 534640447 /nfs/dbraw/zinc/64/04/47/534640447.db2.gz KFGZOSRHIQBZDI-OUAUKWLOSA-N 0 0 210.321 2.391 10 30 BEEERN COC1(OC)CC(C#N)(c2ccccc2)C1 ZINC000078725263 522641139 /nfs/dbraw/zinc/64/11/39/522641139.db2.gz IESUJCRHYDJNSI-UHFFFAOYSA-N 0 0 217.268 2.231 10 30 BEEERN C=CCCCN(C)C(=O)N[C@H](C)CCOC ZINC000125534299 534703557 /nfs/dbraw/zinc/70/35/57/534703557.db2.gz ZWHABEASNKEZQH-LLVKDONJSA-N 0 0 228.336 2.019 10 30 BEEERN C=CCCOCCNc1cc(C)c(C)nn1 ZINC000302790455 534780612 /nfs/dbraw/zinc/78/06/12/534780612.db2.gz GNWYUSGWVSMZKI-UHFFFAOYSA-N 0 0 221.304 2.098 10 30 BEEERN CC(C)CCSCC(=O)N[C@@H](C#N)C1CC1 ZINC000108839315 534906941 /nfs/dbraw/zinc/90/69/41/534906941.db2.gz ZEOYEVNJJWPKGF-NSHDSACASA-N 0 0 240.372 2.184 10 30 BEEERN C[C@@H]1CC(=O)C=CN1C(=O)c1ccccc1 ZINC000090376018 526210477 /nfs/dbraw/zinc/21/04/77/526210477.db2.gz CLPLVBNNTSXDPM-SNVBAGLBSA-N 0 0 215.252 2.004 10 30 BEEERN N#Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000084232401 526539443 /nfs/dbraw/zinc/53/94/43/526539443.db2.gz WHIYTPLNDQYIBZ-UHFFFAOYSA-N 0 0 233.046 2.290 10 30 BEEERN C#CCN(C(=O)[C@@H]1CC[C@H](C)O1)C1CCCCC1 ZINC000490820443 526777728 /nfs/dbraw/zinc/77/77/28/526777728.db2.gz OKPIGZHAKGHHMS-JSGCOSHPSA-N 0 0 249.354 2.348 10 30 BEEERN C#CCN(C(=O)[C@H]1CC[C@@H](C)O1)C1CCCCC1 ZINC000490820446 526778998 /nfs/dbraw/zinc/77/89/98/526778998.db2.gz OKPIGZHAKGHHMS-TZMCWYRMSA-N 0 0 249.354 2.348 10 30 BEEERN C#CCN(C(=O)[C@H]1OCC[C@H]1C)C1CCCCC1 ZINC000491711401 526779204 /nfs/dbraw/zinc/77/92/04/526779204.db2.gz UNMHHMUPHYKKRV-OCCSQVGLSA-N 0 0 249.354 2.206 10 30 BEEERN O=C[C@H]1COc2ccc(Br)cc2C1 ZINC000095756539 527143738 /nfs/dbraw/zinc/14/37/38/527143738.db2.gz LDUKONWPCMSCDM-ZETCQYMHSA-N 0 0 241.084 2.199 10 30 BEEERN O=C[C@H]1OCCc2c(Br)cccc21 ZINC000113514515 527144518 /nfs/dbraw/zinc/14/45/18/527144518.db2.gz GVTAOJQXJIVRJN-SNVBAGLBSA-N 0 0 241.084 2.262 10 30 BEEERN C#C[C@H](NC(=O)[C@@H]1CCC[C@H]1C)C(C)C ZINC000300847011 527402792 /nfs/dbraw/zinc/40/27/92/527402792.db2.gz DVZMOZJTSROCNP-UTUOFQBUSA-N 0 0 207.317 2.197 10 30 BEEERN [O-]N=C(C[NH+]1CCCCC1)c1ccccc1 ZINC000254701525 527643645 /nfs/dbraw/zinc/64/36/45/527643645.db2.gz ONQHVDKNKWGSIH-UHFFFAOYSA-N 0 0 218.300 2.351 10 30 BEEERN CC1(C)C[C@H]1NC(=O)Nc1cccc2c1OCO2 ZINC000329437916 534930795 /nfs/dbraw/zinc/93/07/95/534930795.db2.gz JLDIDCWGNGCCMH-SNVBAGLBSA-N 0 0 248.282 2.349 10 30 BEEERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc(C#N)c1 ZINC000075371837 535747571 /nfs/dbraw/zinc/74/75/71/535747571.db2.gz JRBPQVQERFXZKB-AAEUAGOBSA-N 0 0 228.295 2.477 10 30 BEEERN CO[C@H](c1noc(CCCC#N)n1)C(C)C ZINC000234742795 536678942 /nfs/dbraw/zinc/67/89/42/536678942.db2.gz QADMUNQHVLMTFC-JTQLQIEISA-N 0 0 223.276 2.259 10 30 BEEERN CO[C@H](c1noc(CSCC#N)n1)C(C)C ZINC000234742887 536679384 /nfs/dbraw/zinc/67/93/84/536679384.db2.gz FCHSZRSWZOWZRG-VIFPVBQESA-N 0 0 241.316 2.170 10 30 BEEERN C=CCOC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000111673679 588766124 /nfs/dbraw/zinc/76/61/24/588766124.db2.gz AKRMQTFKJPAFBN-CQSZACIVSA-N 0 0 245.322 2.380 10 30 BEEERN C#CCCNc1ccc2c(c1)CCN2C ZINC000757131773 582506168 /nfs/dbraw/zinc/50/61/68/582506168.db2.gz QGWGVJVWWAIINZ-UHFFFAOYSA-N 0 0 200.285 2.114 10 30 BEEERN CN[C@H](C#N)[C@@H](C)SCc1occc1C ZINC000757166939 582547638 /nfs/dbraw/zinc/54/76/38/582547638.db2.gz TXUIZOKSNJIGQP-NXEZZACHSA-N 0 0 224.329 2.321 10 30 BEEERN COC(=O)[C@@H]1O[C@@]12CCCCC21CCCC1 ZINC000309225201 582901934 /nfs/dbraw/zinc/90/19/34/582901934.db2.gz HKOADQCJJCNHJO-GWCFXTLKSA-N 0 0 224.300 2.431 10 30 BEEERN C=CCOCn1ccc2c1cccc2N ZINC000707357151 582965210 /nfs/dbraw/zinc/96/52/10/582965210.db2.gz IIPGLHFNIMRFCZ-UHFFFAOYSA-N 0 0 202.257 2.384 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@@]1(C)CCC(C)C ZINC000234590956 583208116 /nfs/dbraw/zinc/20/81/16/583208116.db2.gz WRHQKICCAPBUJE-UWVGGRQHSA-N 0 0 220.696 2.320 10 30 BEEERN COC(=O)C[C@]1([C@@H]2CO2)CCC[C@H](C)C1 ZINC000675052462 583301548 /nfs/dbraw/zinc/30/15/48/583301548.db2.gz FITYYVDHMHQBLB-NHCYSSNCSA-N 0 0 212.289 2.145 10 30 BEEERN Cc1ccoc1C(=O)O[C@@H](C#N)C(C)C ZINC000121533809 583924917 /nfs/dbraw/zinc/92/49/17/583924917.db2.gz SJCWKMHFHOCXMB-VIFPVBQESA-N 0 0 207.229 2.293 10 30 BEEERN CC[C@@H](CS)NC(=O)OC(C)(C)C ZINC000148555175 583998322 /nfs/dbraw/zinc/99/83/22/583998322.db2.gz ZDVCRTVXFGTEEW-ZETCQYMHSA-N 0 0 205.323 2.220 10 30 BEEERN CS[C@@H](C)C(=O)OCC#Cc1ccccc1 ZINC000103336148 585096496 /nfs/dbraw/zinc/09/64/96/585096496.db2.gz FWWVYOWRNOKZBJ-NSHDSACASA-N 0 0 234.320 2.333 10 30 BEEERN C#CCOC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103715349 586432188 /nfs/dbraw/zinc/43/21/88/586432188.db2.gz HXSSTTZSEQFBCD-UHFFFAOYSA-N 0 0 243.237 2.406 10 30 BEEERN CCN[C@@H](C#N)CSCc1occc1C ZINC000757166702 586432693 /nfs/dbraw/zinc/43/26/93/586432693.db2.gz RNKVVRULUBRLJW-JTQLQIEISA-N 0 0 224.329 2.323 10 30 BEEERN C#C[C@H](OC(=O)NC(C)C)c1ccccc1 ZINC000757190341 586435403 /nfs/dbraw/zinc/43/54/03/586435403.db2.gz OPMYAWASPJHUNT-LBPRGKRZSA-N 0 0 217.268 2.496 10 30 BEEERN C#Cc1cccc(N(CC)C[C@@H](C)CO)c1 ZINC000121379106 587468637 /nfs/dbraw/zinc/46/86/37/587468637.db2.gz VPWQBYGOBGHGCH-GFCCVEGCSA-N 0 0 217.312 2.123 10 30 BEEERN C#CCOC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000102123365 587806497 /nfs/dbraw/zinc/80/64/97/587806497.db2.gz JLACJMLQQOQGMD-HNNXBMFYSA-N 0 0 228.291 2.457 10 30 BEEERN C/C(=C/C(=O)O[C@@H](C#N)C(C)C)C1CC1 ZINC000121587616 588246644 /nfs/dbraw/zinc/24/66/44/588246644.db2.gz YMJIQFZLZLLDCA-WDDYJBPVSA-N 0 0 207.273 2.434 10 30 BEEERN CC(C)[C@H](C#N)OC(=O)c1ccccc1 ZINC000106881120 588314332 /nfs/dbraw/zinc/31/43/32/588314332.db2.gz ZZWKHHWKHFFAST-NSHDSACASA-N 0 0 203.241 2.392 10 30 BEEERN CC(C)[C@@H](C#N)OC(=O)c1ccccc1 ZINC000106881118 588314491 /nfs/dbraw/zinc/31/44/91/588314491.db2.gz ZZWKHHWKHFFAST-LLVKDONJSA-N 0 0 203.241 2.392 10 30 BEEERN C/C(=C/C(=O)N[C@H](C)C#N)c1cccc(F)c1 ZINC000110666789 588687820 /nfs/dbraw/zinc/68/78/20/588687820.db2.gz UXFJYJINTCLGQY-ABRRARGCSA-N 0 0 232.258 2.257 10 30 BEEERN C=CCCCOC(=O)c1cnn2ccc(C)nc12 ZINC000117995232 589146334 /nfs/dbraw/zinc/14/63/34/589146334.db2.gz WYUGMEYNYUMTDO-UHFFFAOYSA-N 0 0 245.282 2.161 10 30 BEEERN CCCCOCC(=O)OCC#Cc1ccccc1 ZINC000118599801 589179156 /nfs/dbraw/zinc/17/91/56/589179156.db2.gz IIFAHQMEWMRPKI-UHFFFAOYSA-N 0 0 246.306 2.398 10 30 BEEERN C#CCOCCC(=O)O[C@@H](C)CCCC ZINC000119002929 589230398 /nfs/dbraw/zinc/23/03/98/589230398.db2.gz FNSPFPXNACDHDK-NSHDSACASA-N 0 0 212.289 2.148 10 30 BEEERN C=CCCOC(=O)CCc1cccnc1 ZINC000119357243 589272794 /nfs/dbraw/zinc/27/27/94/589272794.db2.gz BFVOCPTXHJNNCV-UHFFFAOYSA-N 0 0 205.257 2.134 10 30 BEEERN C#C[C@H](C)OC(=O)c1cncc(OC(C)C)c1 ZINC000119634603 589315561 /nfs/dbraw/zinc/31/55/61/589315561.db2.gz KQYYJCBGKRTQFQ-JTQLQIEISA-N 0 0 233.267 2.047 10 30 BEEERN C#C[C@@H](Cc1ccccc1)OC(=O)CCCOC ZINC000120560201 589434739 /nfs/dbraw/zinc/43/47/39/589434739.db2.gz MGVBSTNMIACNIM-AWEZNQCLSA-N 0 0 246.306 2.201 10 30 BEEERN C[C@H]1C[C@@H]1C(=O)OCC#Cc1ccccc1 ZINC000121170478 589511478 /nfs/dbraw/zinc/51/14/78/589511478.db2.gz ADKONCPYMQLCNM-AAEUAGOBSA-N 0 0 214.264 2.237 10 30 BEEERN CC(C)[C@@H](C#N)OC(=O)/C=C/c1cncc(F)c1 ZINC000122362689 589584438 /nfs/dbraw/zinc/58/44/38/589584438.db2.gz DGEGAVIYIAEOQG-AAOUONPWSA-N 0 0 248.257 2.325 10 30 BEEERN COc1cccc(C#CCOC(=O)C(C)C)c1 ZINC000124508627 590035726 /nfs/dbraw/zinc/03/57/26/590035726.db2.gz GGARLJPNWHKYPL-UHFFFAOYSA-N 0 0 232.279 2.246 10 30 BEEERN C#CCOC(=O)c1ccc2cc(OC)ccc2n1 ZINC000125539319 590167907 /nfs/dbraw/zinc/16/79/07/590167907.db2.gz KNZUYEFLBAJTRK-UHFFFAOYSA-N 0 0 241.246 2.033 10 30 BEEERN C#C[C@H](C)OC(=O)[C@H](C)c1ccccc1 ZINC000126210493 590253623 /nfs/dbraw/zinc/25/36/23/590253623.db2.gz WXEKBTQGGDVGSY-WDEREUQCSA-N 0 0 202.253 2.355 10 30 BEEERN C#C[C@@H](C)OC(=O)[C@@H](C)c1ccccc1 ZINC000126210276 590253767 /nfs/dbraw/zinc/25/37/67/590253767.db2.gz WXEKBTQGGDVGSY-MNOVXSKESA-N 0 0 202.253 2.355 10 30 BEEERN CCC(=CC(=O)N[C@H](C#N)C1CC1)CC ZINC000129286228 591275707 /nfs/dbraw/zinc/27/57/07/591275707.db2.gz NMLFBTNTTJAXNR-LLVKDONJSA-N 0 0 206.289 2.151 10 30 BEEERN COCCCCOC(=O)c1ccc(C#N)cc1C ZINC000129555117 591322525 /nfs/dbraw/zinc/32/25/25/591322525.db2.gz KDGWHEMAYFUTGS-UHFFFAOYSA-N 0 0 247.294 2.450 10 30 BEEERN C[C@H](OC(=O)[C@H]1CCCCO1)C(C)(C)C#N ZINC000130545380 591480605 /nfs/dbraw/zinc/48/06/05/591480605.db2.gz OYAIMJMEYMWQMK-VHSXEESVSA-N 0 0 225.288 2.037 10 30 BEEERN N#C[C@H]1CCCC[C@@H]1NCc1ccoc1 ZINC000130656297 591495319 /nfs/dbraw/zinc/49/53/19/591495319.db2.gz FBIHXLYPZISUGO-NEPJUHHUSA-N 0 0 204.273 2.452 10 30 BEEERN C=CCCO[C@H](C)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000131136258 591557956 /nfs/dbraw/zinc/55/79/56/591557956.db2.gz PWHNHOBFPILJKZ-MNOVXSKESA-N 0 0 239.315 2.449 10 30 BEEERN C[C@@H](OC(=O)C[C@H]1CCCCO1)C(C)(C)C#N ZINC000131251812 591578811 /nfs/dbraw/zinc/57/88/11/591578811.db2.gz JBRURDFYBPGZJH-GHMZBOCLSA-N 0 0 239.315 2.427 10 30 BEEERN CC(C)OCCC(=O)O[C@H](C)C(C)(C)C#N ZINC000131339847 591597988 /nfs/dbraw/zinc/59/79/88/591597988.db2.gz QIBIWYIZQJVHGO-SNVBAGLBSA-N 0 0 227.304 2.283 10 30 BEEERN C[C@H](OC(=O)CC[C@H]1CCOC1)C(C)(C)C#N ZINC000131462808 591610525 /nfs/dbraw/zinc/61/05/25/591610525.db2.gz GOEOISDLAQVXNI-QWRGUYRKSA-N 0 0 239.315 2.285 10 30 BEEERN CC[C@@H](C)OCC(=O)O[C@@H](C)C(C)(C)C#N ZINC000131606301 591627755 /nfs/dbraw/zinc/62/77/55/591627755.db2.gz QLIFKTPNFPCBAJ-ZJUUUORDSA-N 0 0 227.304 2.283 10 30 BEEERN COC[C@H](C)CNc1cccc(OCC#N)c1 ZINC000131796297 591658720 /nfs/dbraw/zinc/65/87/20/591658720.db2.gz STOPBGCSZMCXFO-LLVKDONJSA-N 0 0 234.299 2.283 10 30 BEEERN C=C(Br)CN1[C@H](C)COC[C@H]1C ZINC000133181859 591775987 /nfs/dbraw/zinc/77/59/87/591775987.db2.gz BZOPYFIBUHVVOF-RKDXNWHRSA-N 0 0 234.137 2.004 10 30 BEEERN C#C[C@@H](OC(=O)COC1CCCCC1)C1CC1 ZINC000134161849 591896735 /nfs/dbraw/zinc/89/67/35/591896735.db2.gz NRTIEAKVZCZJKL-CYBMUJFWSA-N 0 0 236.311 2.291 10 30 BEEERN C=C(Cl)CNC(=O)c1ccc(C)nc1C ZINC000134813806 591952075 /nfs/dbraw/zinc/95/20/75/591952075.db2.gz MDCHIEOWRZPRET-UHFFFAOYSA-N 0 0 224.691 2.181 10 30 BEEERN C=CCOC(=O)[C@H](C)Sc1ccccn1 ZINC000135024858 591973060 /nfs/dbraw/zinc/97/30/60/591973060.db2.gz LXOMRJKYYAXZOX-VIFPVBQESA-N 0 0 223.297 2.291 10 30 BEEERN N#Cc1cc(COc2ccc(F)nc2)ccn1 ZINC000135328739 592007445 /nfs/dbraw/zinc/00/74/45/592007445.db2.gz WYZWSZIXBXZAQA-UHFFFAOYSA-N 0 0 229.214 2.066 10 30 BEEERN CC[C@H]1OCC[C@H]1C(=O)Nc1ccccc1C#N ZINC000234160045 635548725 /nfs/dbraw/zinc/54/87/25/635548725.db2.gz HADTUSCRPOLKAP-DGCLKSJQSA-N 0 0 244.294 2.312 10 30 BEEERN CC(C)[C@H](C#N)OC(=O)Cc1cccc(F)c1 ZINC000176038903 631416915 /nfs/dbraw/zinc/41/69/15/631416915.db2.gz YOXXUWMPYMXXOQ-LBPRGKRZSA-N 0 0 235.258 2.460 10 30 BEEERN CCCCCCC[N@H+](C)[C@H](C)C(=O)[O-] ZINC000108002927 631841321 /nfs/dbraw/zinc/84/13/21/631841321.db2.gz WHJBZVJYWJYQDB-SNVBAGLBSA-N 0 0 201.310 2.362 10 30 BEEERN C[C@H](C#N)NC(=O)/C=C\Sc1ccccc1 ZINC000255521836 631963162 /nfs/dbraw/zinc/96/31/62/631963162.db2.gz JGQOBYLOONPMJL-GQYWMQPJSA-N 0 0 232.308 2.321 10 30 BEEERN C#CC[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000246219006 632424138 /nfs/dbraw/zinc/42/41/38/632424138.db2.gz ZHSFFZAIDXHFQZ-XQQFMLRXSA-N 0 0 218.296 2.378 10 30 BEEERN Cc1cc(C)nc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000310717021 632893005 /nfs/dbraw/zinc/89/30/05/632893005.db2.gz OIVVYJAUAQZFFM-NWDGAFQWSA-N 0 0 243.310 2.121 10 30 BEEERN C=C(Br)COC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000178215124 633032839 /nfs/dbraw/zinc/03/28/39/633032839.db2.gz ATLSLSLBAAOLSU-SFYZADRCSA-N 0 0 249.104 2.006 10 30 BEEERN C#CCCCCC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000180789648 633054155 /nfs/dbraw/zinc/05/41/55/633054155.db2.gz IZDZXDNWAHRSGC-VXGBXAGGSA-N 0 0 224.300 2.148 10 30 BEEERN COC1CC(Nc2ncc(C#N)cc2Cl)C1 ZINC000309423861 633055119 /nfs/dbraw/zinc/05/51/19/633055119.db2.gz AKLMTWUZKJGWJL-UHFFFAOYSA-N 0 0 237.690 2.196 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)nc1 ZINC000309548079 633197207 /nfs/dbraw/zinc/19/72/07/633197207.db2.gz DZAFRBXEGSVYIS-MNOVXSKESA-N 0 0 219.263 2.003 10 30 BEEERN C#C[C@@H](NCc1csc(COC)n1)C(C)C ZINC000309882275 633899719 /nfs/dbraw/zinc/89/97/19/633899719.db2.gz WCAOXHIXDYYFKH-LLVKDONJSA-N 0 0 238.356 2.037 10 30 BEEERN Cc1nc([C@@H](C)NCCO[C@@H](C)C#N)cs1 ZINC000309459261 633922162 /nfs/dbraw/zinc/92/21/62/633922162.db2.gz OJHLUOQBGGCUGE-DTWKUNHWSA-N 0 0 239.344 2.031 10 30 BEEERN C#Cc1cccc(NCC(=O)NC(C)(C)CC)c1 ZINC000025624257 636312225 /nfs/dbraw/zinc/31/22/25/636312225.db2.gz HQXXGZJWUVFWKK-UHFFFAOYSA-N 0 0 244.338 2.385 10 30 BEEERN CCN(CCC#N)C(=O)CSC(C)(C)C ZINC000127439878 636562074 /nfs/dbraw/zinc/56/20/74/636562074.db2.gz IMECMWKMFWVQNC-UHFFFAOYSA-N 0 0 228.361 2.280 10 30 BEEERN C=CCCCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000179229679 636762051 /nfs/dbraw/zinc/76/20/51/636762051.db2.gz ZKKXWMYRYGDBJU-RYUDHWBXSA-N 0 0 225.332 2.010 10 30 BEEERN C#C[C@H](OC(=O)[C@@H](OC)c1ccccc1)C1CC1 ZINC000089491483 636831085 /nfs/dbraw/zinc/83/10/85/636831085.db2.gz ADZBFYMSVGSMNL-KBPBESRZSA-N 0 0 244.290 2.329 10 30 BEEERN C=CCN[C@H](C(=O)OCC)c1ccccc1 ZINC000055421735 640470517 /nfs/dbraw/zinc/47/05/17/640470517.db2.gz KGBQVJCVQJNIPA-LBPRGKRZSA-N 0 0 219.284 2.066 10 30 BEEERN CC[C@H](C)C[C@@]1(CC)O[C@@H]1C(=O)OC ZINC000227517902 640837383 /nfs/dbraw/zinc/83/73/83/640837383.db2.gz UHNLBGLJJVRXEI-IQJOONFLSA-N 0 0 200.278 2.143 10 30 BEEERN C#C[C@@H](C)OC(=O)Cc1ccc2c(c1)CCC2 ZINC000174422628 641283647 /nfs/dbraw/zinc/28/36/47/641283647.db2.gz XDTWTELZOIPUEC-LLVKDONJSA-N 0 0 228.291 2.283 10 30 BEEERN C#C[C@H](C)OC(=O)Cc1ccc2c(c1)CCC2 ZINC000174422614 641284154 /nfs/dbraw/zinc/28/41/54/641284154.db2.gz XDTWTELZOIPUEC-NSHDSACASA-N 0 0 228.291 2.283 10 30 BEEERN N#C[C@H](C(=O)[C@H]1C[C@H]1C1CC1)c1ccccn1 ZINC000246059446 642380825 /nfs/dbraw/zinc/38/08/25/642380825.db2.gz AZHVKVSANIDIJG-SRVKXCTJSA-N 0 0 226.279 2.304 10 30 BEEERN N#Cc1ccc(-c2ccc(C=O)s2)cn1 ZINC000238691474 642832996 /nfs/dbraw/zinc/83/29/96/642832996.db2.gz NMYZQQSAMVFSKF-UHFFFAOYSA-N 0 0 214.249 2.494 10 30 BEEERN C=C[C@@H](C)N1C(=O)[C@@H](c2ccccc2)NC1=S ZINC000757136033 643277303 /nfs/dbraw/zinc/27/73/03/643277303.db2.gz YHSHKBWPSZQCPM-MWLCHTKSSA-N 0 0 246.335 2.019 10 30 BEEERN C[C@H](C#N)NC(=O)/C=C/Sc1ccccc1 ZINC000195444800 644391955 /nfs/dbraw/zinc/39/19/55/644391955.db2.gz JGQOBYLOONPMJL-QROSGCPLSA-N 0 0 232.308 2.321 10 30 BEEERN CSC1=N/C(=C/c2cccn2C)C(=O)S1 ZINC000096505612 644818879 /nfs/dbraw/zinc/81/88/79/644818879.db2.gz VZVROTUEIPSJML-SOFGYWHQSA-N 0 0 238.337 2.358 10 30 BEEERN N#C[C@@H]1CCC[C@H]1Nc1cncc(Cl)n1 ZINC000308879026 711572727 /nfs/dbraw/zinc/57/27/27/711572727.db2.gz PBJXTSSAWFUVSF-JGVFFNPUSA-N 0 0 222.679 2.234 10 30 BEEERN COc1cccc(/C(C)=C/C(=O)N[C@H](C)C#N)c1 ZINC000175886561 711486452 /nfs/dbraw/zinc/48/64/52/711486452.db2.gz RWPDJAKVKGBCIV-PFEDMVJOSA-N 0 0 244.294 2.127 10 30 BEEERN C#C[C@H](NC(=O)c1ccc(F)cc1N)C(C)(C)C ZINC000702251118 712041638 /nfs/dbraw/zinc/04/16/38/712041638.db2.gz QLGVCLOAZLVIQD-LBPRGKRZSA-N 0 0 248.301 2.186 10 30 BEEERN CSC1CC(Nc2cccc(C#N)n2)C1 ZINC000708272552 712184894 /nfs/dbraw/zinc/18/48/94/712184894.db2.gz COTGHYNPZGDTCW-UHFFFAOYSA-N 0 0 219.313 2.259 10 30 BEEERN CSC1CC(Nc2ccc(C#N)cn2)C1 ZINC000708277147 712185826 /nfs/dbraw/zinc/18/58/26/712185826.db2.gz ZSNCEAYCCODPFP-UHFFFAOYSA-N 0 0 219.313 2.259 10 30 BEEERN C#C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC000692327902 954696839 /nfs/dbraw/zinc/69/68/39/954696839.db2.gz KWJWTNXLYZGUAY-JTQLQIEISA-N 0 0 249.335 2.292 10 30 BEEERN C#CC1CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000692359983 954697653 /nfs/dbraw/zinc/69/76/53/954697653.db2.gz XSENFWFKVSXVDY-UHFFFAOYSA-N 0 0 249.335 2.292 10 30 BEEERN CCOCCCC(=O)OCC#Cc1ccccc1 ZINC000121184972 957938836 /nfs/dbraw/zinc/93/88/36/957938836.db2.gz RPEVVPINYWABSV-UHFFFAOYSA-N 0 0 246.306 2.398 10 30 BEEERN C=C(C)C[C@H](C)C(=O)N=c1sccn1C ZINC000588473700 958718972 /nfs/dbraw/zinc/71/89/72/958718972.db2.gz MAXIOLCYZMXZFS-VIFPVBQESA-N 0 0 224.329 2.116 10 30 BEEERN C/C(=C/C(C)(C)C)C(=O)N[C@H](C#N)C1CC1 ZINC000588497640 958852973 /nfs/dbraw/zinc/85/29/73/958852973.db2.gz RJENYNZAQFOUEI-GXMKHXEJSA-N 0 0 220.316 2.397 10 30 BEEERN C#C[C@H](C)NC(=O)C/C=C\c1ccc(F)cc1 ZINC000588512788 958876426 /nfs/dbraw/zinc/87/64/26/958876426.db2.gz JZHBVWWTBQTEJP-WYGGZMRJSA-N 0 0 231.270 2.367 10 30 BEEERN O=C1/C(=C\c2cocn2)CC/C1=C/c1cocn1 ZINC000588578359 959332671 /nfs/dbraw/zinc/33/26/71/959332671.db2.gz NVCKBNNHTBAFEL-UIYSNZQUSA-N 0 0 242.234 2.493 10 30 BEEERN O=C(/C=C\c1cocn1)c1cncc(F)c1 ZINC000588579591 959341431 /nfs/dbraw/zinc/34/14/31/959341431.db2.gz RSKDSOFXCSUARI-UPHRSURJSA-N 0 0 218.187 2.105 10 30 BEEERN C[C@H](Cc1ccsc1)Nc1nnccc1C#N ZINC000123289676 961207736 /nfs/dbraw/zinc/20/77/36/961207736.db2.gz VLTVTZQMJKVWEW-SECBINFHSA-N 0 0 244.323 2.453 10 30 BEEERN C=C[C@@H](C)[NH2+]Cc1csc(C(=O)[O-])c1 ZINC000689169507 976237885 /nfs/dbraw/zinc/23/78/85/976237885.db2.gz VDAWFHUWWVLZAD-SSDOTTSWSA-N 0 0 211.286 2.110 10 30 BEEERN C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)[O-] ZINC000692239698 976408236 /nfs/dbraw/zinc/40/82/36/976408236.db2.gz MXCUDXINSFQJAP-MNOVXSKESA-N 0 0 211.305 2.186 10 30 BEEERN C#C[C@@H]1CCC[N@@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000692336506 976423501 /nfs/dbraw/zinc/42/35/01/976423501.db2.gz PSRDXMVLJUIASL-LLVKDONJSA-N 0 0 247.294 2.131 10 30 BEEERN C=C[C@H]([NH2+]CC1CCC(F)(F)CC1)C(=O)[O-] ZINC000693350120 976599581 /nfs/dbraw/zinc/59/95/81/976599581.db2.gz VNFQXQNEAWOUKG-VIFPVBQESA-N 0 0 233.258 2.041 10 30 BEEERN N#CC1CC[NH+](Cc2ccccc2C(=O)[O-])CC1 ZINC000694612534 976702455 /nfs/dbraw/zinc/70/24/55/976702455.db2.gz WRXHJLSPURPLBV-UHFFFAOYSA-N 0 0 244.294 2.120 10 30 BEEERN C#C[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000702229621 977071530 /nfs/dbraw/zinc/07/15/30/977071530.db2.gz VYSAXTMIDWPWFX-MCIGGMRASA-N 0 0 237.343 2.267 10 30 BEEERN C#C[C@H]([NH2+][C@H](CCCC)C(=O)[O-])C(C)(C)C ZINC000702275260 977075223 /nfs/dbraw/zinc/07/52/23/977075223.db2.gz JCBBWFKPAXKOPK-MNOVXSKESA-N 0 0 225.332 2.267 10 30 BEEERN C#C[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])C(C)(C)C ZINC000705285570 977271947 /nfs/dbraw/zinc/27/19/47/977271947.db2.gz OYTNYLOAFSCBCV-SNVBAGLBSA-N 0 0 225.332 2.125 10 30 BEEERN CN(Cc1cscn1)[C@@H]1CCC[C@@H]1C#N ZINC000042865346 985226046 /nfs/dbraw/zinc/22/60/46/985226046.db2.gz RRWYHMQXYSUDOV-MWLCHTKSSA-N 0 0 221.329 2.267 10 30 BEEERN CCOC[C@H](C)Nc1nc(C)cc(C)c1C#N ZINC000044726010 1171408580 /nfs/dbraw/zinc/40/85/80/1171408580.db2.gz WSEUQXNODNXJGT-NSHDSACASA-N 0 0 233.315 2.407 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1ccsc1 ZINC000685954274 538899284 /nfs/dbraw/zinc/89/92/84/538899284.db2.gz UFUNIBHCKAXZGO-UHFFFAOYSA-N 0 0 208.282 2.441 10 30 BEEERN C=CC(C)(C)COCC(F)(F)CNC ZINC000685956590 538902700 /nfs/dbraw/zinc/90/27/00/538902700.db2.gz GKTBECCHLHXPIW-UHFFFAOYSA-N 0 0 207.264 2.070 10 30 BEEERN C/C=C/C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000685959460 538906851 /nfs/dbraw/zinc/90/68/51/538906851.db2.gz XBZNPCSPXBUUMQ-CGAJTASUSA-N 0 0 247.294 2.447 10 30 BEEERN CC(C)(C)OC(=O)C#C[C@H]1CCCSC1 ZINC000685952611 538896411 /nfs/dbraw/zinc/89/64/11/538896411.db2.gz BGONSWMEAYEKRB-SNVBAGLBSA-N 0 0 226.341 2.475 10 30 BEEERN N#CCCCN1CCO[C@@H](c2ccsc2)C1 ZINC000125743050 136213108 /nfs/dbraw/zinc/21/31/08/136213108.db2.gz KXTJAZWAJVCJJR-GFCCVEGCSA-N 0 0 236.340 2.425 10 30 BEEERN N#C[C@H]1CCC[C@H]1Nc1ncc(Cl)cn1 ZINC000308862938 136216942 /nfs/dbraw/zinc/21/69/42/136216942.db2.gz CHLXNOGLUPRHBF-VXNVDRBHSA-N 0 0 222.679 2.234 10 30 BEEERN Cc1cc(F)ccc1[C@H](C#N)NC1CC1 ZINC000050579389 178091844 /nfs/dbraw/zinc/09/18/44/178091844.db2.gz ONCIUBZTWMASIA-LBPRGKRZSA-N 0 0 204.248 2.451 10 30 BEEERN C[C@@H]1CCC[C@H](C(=O)N[C@@H](C#N)C2CC2)C1 ZINC000119727292 136220890 /nfs/dbraw/zinc/22/08/90/136220890.db2.gz WPUKAQFJERBSMN-USWWRNFRSA-N 0 0 220.316 2.231 10 30 BEEERN Cc1cc(NCCCCCO)c(C#N)c(C)n1 ZINC000228725904 178158749 /nfs/dbraw/zinc/15/87/49/178158749.db2.gz OIZFNVGKFFOPDT-UHFFFAOYSA-N 0 0 233.315 2.145 10 30 BEEERN Cc1cc(NCCOCC2CC2)c(C#N)c(C)n1 ZINC000227593612 178161232 /nfs/dbraw/zinc/16/12/32/178161232.db2.gz DVQRSAPWOIRSRE-UHFFFAOYSA-N 0 0 245.326 2.409 10 30 BEEERN Cc1cc(NC[C@@H](C)C[C@H](C)O)c(C#N)c(C)n1 ZINC000301796744 178164616 /nfs/dbraw/zinc/16/46/16/178164616.db2.gz TZUUAONWYRAJRB-ONGXEEELSA-N 0 0 247.342 2.389 10 30 BEEERN COC(=O)[C@H]1OC1(CC(C)C)CC(C)C ZINC000163902604 538930943 /nfs/dbraw/zinc/93/09/43/538930943.db2.gz FGDXIOSJEMWSDY-SNVBAGLBSA-N 0 0 214.305 2.389 10 30 BEEERN Cc1cc(OC/C(N)=N/O)ccc1C(C)C ZINC000019507764 178207940 /nfs/dbraw/zinc/20/79/40/178207940.db2.gz ZDFRWSJUGCXYSA-UHFFFAOYSA-N 0 0 222.288 2.244 10 30 BEEERN Cc1cc2[nH]ccc2c(OC[C@H]2CO2)c1 ZINC000147306311 178211780 /nfs/dbraw/zinc/21/17/80/178211780.db2.gz BKAHBWRBBQERJX-SECBINFHSA-N 0 0 203.241 2.254 10 30 BEEERN Cc1cc(S[C@@H](C)[C@H](C)O)c(C#N)c(C)n1 ZINC000227594031 178219594 /nfs/dbraw/zinc/21/95/94/178219594.db2.gz YDBNABZVPUDFIN-UWVGGRQHSA-N 0 0 236.340 2.432 10 30 BEEERN Cc1cc([C@@H](C#N)N2CCOCC2)c(C)s1 ZINC000049688012 178219732 /nfs/dbraw/zinc/21/97/32/178219732.db2.gz MDMOCXMLXLPOBY-GFCCVEGCSA-N 0 0 236.340 2.262 10 30 BEEERN COC(=O)[C@@]1(C)O[C@@]1(C)CCCC(F)(F)F ZINC000166775516 538939772 /nfs/dbraw/zinc/93/97/72/538939772.db2.gz HAFOAUYHPSBPEN-DTWKUNHWSA-N 0 0 240.221 2.440 10 30 BEEERN COC(=O)[C@]1(C(C)C)O[C@]1(C)CC1CC1 ZINC000229762716 538941219 /nfs/dbraw/zinc/94/12/19/538941219.db2.gz BJCILJXXQAKPLC-NEPJUHHUSA-N 0 0 212.289 2.143 10 30 BEEERN Cc1cc2c(o1)C(=O)C=C(Br)C2=O ZINC000028002465 178293075 /nfs/dbraw/zinc/29/30/75/178293075.db2.gz UDSZYWMOVIWQKS-UHFFFAOYSA-N 0 0 241.040 2.246 10 30 BEEERN Cc1ccc(C#N)cc1NCc1cnccn1 ZINC000054766754 178367597 /nfs/dbraw/zinc/36/75/97/178367597.db2.gz BGXQXHCTAHZKCC-UHFFFAOYSA-N 0 0 224.267 2.269 10 30 BEEERN Cc1ccc(NC2=NCC(C)(C)S2)nc1 ZINC000020354437 178359681 /nfs/dbraw/zinc/35/96/81/178359681.db2.gz OBTTZYNNMDFSPS-UHFFFAOYSA-N 0 0 221.329 2.493 10 30 BEEERN Cc1ccc(C#N)cc1NC(=O)[C@H]1OCC[C@H]1C ZINC000160279224 178367804 /nfs/dbraw/zinc/36/78/04/178367804.db2.gz AKXMTAICFKWEDB-MFKMUULPSA-N 0 0 244.294 2.230 10 30 BEEERN Cc1ccc(/C(N)=N/O)c(N(C)CC2CCC2)c1 ZINC000061458259 178351873 /nfs/dbraw/zinc/35/18/73/178351873.db2.gz WCBXISNEWBOZRI-UHFFFAOYSA-N 0 0 247.342 2.326 10 30 BEEERN C#CCCNc1cc(Cl)nnc1Cl ZINC000127184583 343998487 /nfs/dbraw/zinc/99/84/87/343998487.db2.gz OPYVPSNAWMPCEH-UHFFFAOYSA-N 0 0 216.071 2.219 10 30 BEEERN C#CC[C@@H](O)Cc1cccc(Br)c1 ZINC000051074435 346826978 /nfs/dbraw/zinc/82/69/78/346826978.db2.gz NYAMPXQMAFHDFH-LLVKDONJSA-N 0 0 239.112 2.376 10 30 BEEERN Cc1ccc(C(=O)NC2(C#N)CCCC2)c(C)n1 ZINC000048347763 178401726 /nfs/dbraw/zinc/40/17/26/178401726.db2.gz GROKSRJPOAIVTJ-UHFFFAOYSA-N 0 0 243.310 2.265 10 30 BEEERN N#Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000335293365 343999874 /nfs/dbraw/zinc/99/98/74/343999874.db2.gz FWUMAQMLUVPDLZ-STQMWFEESA-N 0 0 226.279 2.183 10 30 BEEERN C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@@H]1C ZINC000180689390 538958999 /nfs/dbraw/zinc/95/89/99/538958999.db2.gz YDVNRIHMCXUPCL-DCAQKATOSA-N 0 0 210.321 2.439 10 30 BEEERN C#Cc1cccc(CO[C@H]2CCCCO2)n1 ZINC000143932754 342690692 /nfs/dbraw/zinc/69/06/92/342690692.db2.gz SHQVGVXVEKCOAQ-ZDUSSCGKSA-N 0 0 217.268 2.106 10 30 BEEERN C=CC(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406044334 538962937 /nfs/dbraw/zinc/96/29/37/538962937.db2.gz RBYNNVXVNBSACA-ZJUUUORDSA-N 0 0 237.299 2.211 10 30 BEEERN C=CC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000406053961 538962981 /nfs/dbraw/zinc/96/29/81/538962981.db2.gz FVPIHTUNQOXFBP-ZJUUUORDSA-N 0 0 239.315 2.435 10 30 BEEERN Cc1cc2c(c(C)c1)C(=O)O[C@@H]2CC#N ZINC000199805419 342697235 /nfs/dbraw/zinc/69/72/35/342697235.db2.gz SRJYIVDWYXLALR-SNVBAGLBSA-N 0 0 201.225 2.429 10 30 BEEERN N#Cc1nc2c(cccc2[N+](=O)[O-])s1 ZINC000118771615 342699492 /nfs/dbraw/zinc/69/94/92/342699492.db2.gz RFRVRJRHFCQMEI-UHFFFAOYSA-N 0 0 205.198 2.076 10 30 BEEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(O)c1 ZINC000061888729 178424335 /nfs/dbraw/zinc/42/43/35/178424335.db2.gz RJCLYROHRSSPHY-CMPLNLGQSA-N 0 0 244.294 2.123 10 30 BEEERN CC(C)(C)[N+](=O)Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000003972768 342740225 /nfs/dbraw/zinc/74/02/25/342740225.db2.gz NRIBJVUWCXGSDL-GHXNOFRVSA-N 0 0 238.243 2.028 10 30 BEEERN N#CCCC1(c2cnccn2)CCC(=O)CC1 ZINC000145389922 342761272 /nfs/dbraw/zinc/76/12/72/342761272.db2.gz GSGHZKUEXFFNEU-UHFFFAOYSA-N 0 0 229.283 2.161 10 30 BEEERN N#Cc1cc(OCC(F)F)c(C2CC2)cn1 ZINC000146530451 342769775 /nfs/dbraw/zinc/76/97/75/342769775.db2.gz FVNLCUGJSNXDPP-UHFFFAOYSA-N 0 0 224.210 2.475 10 30 BEEERN O=C1C=CC(O)(c2cnc3ccccc3c2)C=C1 ZINC000005939975 342771887 /nfs/dbraw/zinc/77/18/87/342771887.db2.gz OMFMDLBMXKVHFW-UHFFFAOYSA-N 0 0 237.258 2.118 10 30 BEEERN CO[C@H]1CCC[C@@H](Nc2ccc(C#N)nc2)C1 ZINC000301770017 398290602 /nfs/dbraw/zinc/29/06/02/398290602.db2.gz JFPNWPSQJSEGFD-MFKMUULPSA-N 0 0 231.299 2.323 10 30 BEEERN C=C[C@@H](NN)c1ccc(Br)s1 ZINC000097535279 342807074 /nfs/dbraw/zinc/80/70/74/342807074.db2.gz DBFURTPEUMOMMF-RXMQYKEDSA-N 0 0 233.134 2.201 10 30 BEEERN CC1(C)C[C@@]2(O[C@H]2C#N)c2ccccc2O1 ZINC000390047647 539020102 /nfs/dbraw/zinc/02/01/02/539020102.db2.gz DITQKKCHQMUJCQ-WCQYABFASA-N 0 0 215.252 2.365 10 30 BEEERN CCC[C@]1(C(=O)OCC)OC12CCSCC2 ZINC000212022730 539027606 /nfs/dbraw/zinc/02/76/06/539027606.db2.gz VNQLTEJYJNOXBT-GFCCVEGCSA-N 0 0 244.356 2.384 10 30 BEEERN COc1ccc2c(c1)[C@@]1(CCC2)O[C@@H]1C#N ZINC000390085745 539019696 /nfs/dbraw/zinc/01/96/96/539019696.db2.gz FWVFMSPNBYJPPH-CHWSQXEVSA-N 0 0 215.252 2.149 10 30 BEEERN C=CC(=O)c1ccc(Cl)cc1C(=O)OC ZINC000308786733 342871435 /nfs/dbraw/zinc/87/14/35/342871435.db2.gz GMUUWJRITGONJL-UHFFFAOYSA-N 0 0 224.643 2.495 10 30 BEEERN C/C=C/C(=O)c1ccc(OC(C)=O)cc1 ZINC000308807193 342872247 /nfs/dbraw/zinc/87/22/47/342872247.db2.gz OYZKLJCJZLNFDM-ONEGZZNKSA-N 0 0 204.225 2.371 10 30 BEEERN C#CCC[C@H](O)c1ncccc1Br ZINC000133095911 398322102 /nfs/dbraw/zinc/32/21/02/398322102.db2.gz REIYZSASHYKFHB-VIFPVBQESA-N 0 0 240.100 2.291 10 30 BEEERN N#CC[C@@H]1CCCN1c1ccc(O)cc1 ZINC000116589821 342928421 /nfs/dbraw/zinc/92/84/21/342928421.db2.gz IGHKFXWTODCARY-JTQLQIEISA-N 0 0 202.257 2.275 10 30 BEEERN O=CCCCCOc1cccc([N+](=O)[O-])c1 ZINC000309264451 342927328 /nfs/dbraw/zinc/92/73/28/342927328.db2.gz WRWPTEVYSSVZAI-UHFFFAOYSA-N 0 0 223.228 2.343 10 30 BEEERN N#Cc1c(C=O)n(C2CC2)c2c1CCCC2 ZINC000575433875 398327756 /nfs/dbraw/zinc/32/77/56/398327756.db2.gz RRSAXOOCESRLEP-UHFFFAOYSA-N 0 0 214.268 2.386 10 30 BEEERN CS[C@H]1CCCCN(c2nccc(C#N)n2)C1 ZINC000297450554 398343974 /nfs/dbraw/zinc/34/39/74/398343974.db2.gz JIRRAFQQSCKKGO-NSHDSACASA-N 0 0 248.355 2.070 10 30 BEEERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCCSC1 ZINC000329729778 136256339 /nfs/dbraw/zinc/25/63/39/136256339.db2.gz CZPCGHDFSABKCK-RKDXNWHRSA-N 0 0 242.344 2.205 10 30 BEEERN CC1(C)C[C@H]1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333078251 534930572 /nfs/dbraw/zinc/93/05/72/534930572.db2.gz FALFEQJLEXBFJP-QMTHXVAHSA-N 0 0 232.327 2.375 10 30 BEEERN O=C(CCC[C@@H]1CO1)OCc1ccccc1 ZINC000036426742 342997641 /nfs/dbraw/zinc/99/76/41/342997641.db2.gz FWEBJQSNXYEZFL-GFCCVEGCSA-N 0 0 220.268 2.299 10 30 BEEERN O=C(CCC[C@H]1CO1)OCc1ccccc1 ZINC000036426743 342997664 /nfs/dbraw/zinc/99/76/64/342997664.db2.gz FWEBJQSNXYEZFL-LBPRGKRZSA-N 0 0 220.268 2.299 10 30 BEEERN C/C=C/C(=O)c1cccc(OC(C)=O)c1 ZINC000308798663 346913177 /nfs/dbraw/zinc/91/31/77/346913177.db2.gz LPMFSLXJOKBWCQ-HWKANZROSA-N 0 0 204.225 2.371 10 30 BEEERN C(#Cc1ccc2ncnn2c1)c1ccccc1 ZINC000117738365 343015388 /nfs/dbraw/zinc/01/53/88/343015388.db2.gz KHORXEGIGLPRIX-UHFFFAOYSA-N 0 0 219.247 2.129 10 30 BEEERN N#Cc1ccc2nc(N3CCOCC3)sc2c1 ZINC000260918104 349782477 /nfs/dbraw/zinc/78/24/77/349782477.db2.gz HNTUVTDVOWMVLE-UHFFFAOYSA-N 0 0 245.307 2.005 10 30 BEEERN Cc1ccc(C)c(OCC[C@@H](N)C#N)c1C ZINC000019666674 178489994 /nfs/dbraw/zinc/48/99/94/178489994.db2.gz YUUXTOBUIINKMR-GFCCVEGCSA-N 0 0 218.300 2.232 10 30 BEEERN CCc1cc(N[C@@H]2CCC[C@H]2C#N)ncn1 ZINC000309951455 343104527 /nfs/dbraw/zinc/10/45/27/343104527.db2.gz GFTQGKGGGURCEO-GXSJLCMTSA-N 0 0 216.288 2.143 10 30 BEEERN CC(=O)c1ccc(F)cc1O[C@@H](C)C#N ZINC000062747832 346927208 /nfs/dbraw/zinc/92/72/08/346927208.db2.gz XYBKSLZRXVNWKJ-ZETCQYMHSA-N 0 0 207.204 2.319 10 30 BEEERN C=C(C(=O)OC)[C@H](O)c1cccc(Cl)c1 ZINC000019836133 343139882 /nfs/dbraw/zinc/13/98/82/343139882.db2.gz ZZOVVJBYLKLRCC-JTQLQIEISA-N 0 0 226.659 2.103 10 30 BEEERN CSC(=NC#N)Nc1ccc(NC(C)=O)cc1 ZINC000149881267 343196493 /nfs/dbraw/zinc/19/64/93/343196493.db2.gz ZMBGQURPDDMJLV-UHFFFAOYSA-N 0 0 248.311 2.257 10 30 BEEERN C=CC[C@H](C)NC(=O)c1ccc(C)nc1C ZINC000116860498 136275161 /nfs/dbraw/zinc/27/51/61/136275161.db2.gz AJTKHBGBRRUDCJ-VIFPVBQESA-N 0 0 218.300 2.393 10 30 BEEERN Cc1nc(N2CCC[C@@H]2CCCO)ccc1C#N ZINC000311217352 136275711 /nfs/dbraw/zinc/27/57/11/136275711.db2.gz SJPGEHJGLOISQD-CYBMUJFWSA-N 0 0 245.326 2.003 10 30 BEEERN CC(C)(O)C#Cc1cccc2ncccc12 ZINC000165963653 343284110 /nfs/dbraw/zinc/28/41/10/343284110.db2.gz YIZHKSGGDIHYSF-UHFFFAOYSA-N 0 0 211.264 2.357 10 30 BEEERN COC(=O)c1ccccc1C1(C#N)CC1 ZINC000238407035 343256752 /nfs/dbraw/zinc/25/67/52/343256752.db2.gz HYWHDIKCPPEWJH-UHFFFAOYSA-N 0 0 201.225 2.028 10 30 BEEERN CC(=O)Nc1cccc(C[C@H](C)C=O)c1 ZINC000033966358 343263327 /nfs/dbraw/zinc/26/33/27/343263327.db2.gz FKRCZOATDPFOOL-VIFPVBQESA-N 0 0 205.257 2.023 10 30 BEEERN CCSC#Cc1ccc2c(c1)OCO2 ZINC000207460911 343263843 /nfs/dbraw/zinc/26/38/43/343263843.db2.gz IHADFBGASMYNGE-UHFFFAOYSA-N 0 0 206.266 2.477 10 30 BEEERN N#CCC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165406089 343264691 /nfs/dbraw/zinc/26/46/91/343264691.db2.gz WWWWVUMDWSWJBP-UHFFFAOYSA-N 0 0 224.603 2.345 10 30 BEEERN N#CCN(C[C@@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000310100121 343274272 /nfs/dbraw/zinc/27/42/72/343274272.db2.gz BDHOXPGLPRNJQM-OCCSQVGLSA-N 0 0 236.359 2.306 10 30 BEEERN N#CCN(C[C@@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000310100123 343274351 /nfs/dbraw/zinc/27/43/51/343274351.db2.gz BDHOXPGLPRNJQM-TZMCWYRMSA-N 0 0 236.359 2.306 10 30 BEEERN c1ccc(COCCCCOC[C@H]2CO2)cc1 ZINC000200288228 343277487 /nfs/dbraw/zinc/27/74/87/343277487.db2.gz GYTQYXVOTASVQL-AWEZNQCLSA-N 0 0 236.311 2.399 10 30 BEEERN N#Cc1cccc(C#N)c1-c1ccccn1 ZINC000217512033 343279156 /nfs/dbraw/zinc/27/91/56/343279156.db2.gz WNMVKCXIIOGLNO-UHFFFAOYSA-N 0 0 205.220 2.492 10 30 BEEERN COc1ccc(Br)c(C#N)c1O ZINC000035244608 343291162 /nfs/dbraw/zinc/29/11/62/343291162.db2.gz FJMHEVGAELACPQ-UHFFFAOYSA-N 0 0 228.045 2.035 10 30 BEEERN CC(C)[C@H]1CCN(c2ccc(C#N)cn2)C1 ZINC000134987558 343350843 /nfs/dbraw/zinc/35/08/43/343350843.db2.gz GZBQIFVWKYMQFT-LBPRGKRZSA-N 0 0 215.300 2.436 10 30 BEEERN Cc1ccc(CC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061888381 178522259 /nfs/dbraw/zinc/52/22/59/178522259.db2.gz FJZUIPVELPNQEG-UONOGXRCSA-N 0 0 242.322 2.346 10 30 BEEERN C[C@@H](CC1CC1)NC(=O)Cc1cncnc1 ZINC000329445657 136365905 /nfs/dbraw/zinc/36/59/05/136365905.db2.gz CJXXOPYSMMDOAD-VIFPVBQESA-N 0 0 219.288 2.164 10 30 BEEERN c1nc2cc(OC[C@@H]3CO3)ccc2s1 ZINC000045237662 343526754 /nfs/dbraw/zinc/52/67/54/343526754.db2.gz ATVXMTAUFAKSFA-MRVPVSSYSA-N 0 0 207.254 2.074 10 30 BEEERN CCCOc1ccc(C(=O)OC)cc1C#N ZINC000165526325 343632827 /nfs/dbraw/zinc/63/28/27/343632827.db2.gz UZMTZXKSXUAWDG-UHFFFAOYSA-N 0 0 219.240 2.134 10 30 BEEERN C#CCNCc1sccc1Br ZINC000043674512 343698991 /nfs/dbraw/zinc/69/89/91/343698991.db2.gz RKUBXSBZLHBIAW-UHFFFAOYSA-N 0 0 230.130 2.233 10 30 BEEERN CCO/C=C/C(=O)c1nc(C)sc1C ZINC000082589254 537805989 /nfs/dbraw/zinc/80/59/89/537805989.db2.gz OLBWXQUWSFMLAV-AATRIKPKSA-N 0 0 211.286 2.493 10 30 BEEERN N#Cc1cccc(C#Cc2ccccc2)n1 ZINC000380516650 343796913 /nfs/dbraw/zinc/79/69/13/343796913.db2.gz UDJUWFWCGDIZLN-UHFFFAOYSA-N 0 0 204.232 2.353 10 30 BEEERN C#CCn1nc(-c2ccccn2)cc1C1CC1 ZINC000409441252 343855678 /nfs/dbraw/zinc/85/56/78/343855678.db2.gz QJVDFQDOSUHFOM-UHFFFAOYSA-N 0 0 223.279 2.456 10 30 BEEERN C[C@H]1COC[C@H](C)N1Cc1cccc(C#N)c1F ZINC000334177600 343830194 /nfs/dbraw/zinc/83/01/94/343830194.db2.gz ATLYHIHKJUHYEN-QWRGUYRKSA-N 0 0 248.301 2.307 10 30 BEEERN COc1ccc(CC#N)c(OC(F)(F)F)n1 ZINC000309234965 346997091 /nfs/dbraw/zinc/99/70/91/346997091.db2.gz ATBBIOBVJKQQNG-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN C#CCn1ccn2nc(C(C)(C)C)cc12 ZINC000409437080 343842194 /nfs/dbraw/zinc/84/21/94/343842194.db2.gz DHVHRKFZJKCVEP-UHFFFAOYSA-N 0 0 201.273 2.067 10 30 BEEERN N#CCn1cc(C#N)c(-c2cccs2)n1 ZINC000409437273 343842674 /nfs/dbraw/zinc/84/26/74/343842674.db2.gz FMLUDWOCSCZUSQ-UHFFFAOYSA-N 0 0 214.253 2.007 10 30 BEEERN N#CCn1ccn2nc(-c3cccs3)cc12 ZINC000409438505 343844350 /nfs/dbraw/zinc/84/43/50/343844350.db2.gz NBEKALFLXMDSEG-UHFFFAOYSA-N 0 0 228.280 2.388 10 30 BEEERN CCc1cc(-c2ccncc2)nn1CC#N ZINC000409439058 343846535 /nfs/dbraw/zinc/84/65/35/343846535.db2.gz GHEXPBPMLKYXIW-UHFFFAOYSA-N 0 0 212.256 2.031 10 30 BEEERN Cc1[nH]nc(-c2ccccn2)c1CCC#N ZINC000409440335 343851658 /nfs/dbraw/zinc/85/16/58/343851658.db2.gz MQZPDQYFAWSEDW-UHFFFAOYSA-N 0 0 212.256 2.236 10 30 BEEERN OCCC#Cc1nccc2sccc21 ZINC000585144380 343879667 /nfs/dbraw/zinc/87/96/67/343879667.db2.gz MTNFNRXXELEHEN-UHFFFAOYSA-N 0 0 203.266 2.030 10 30 BEEERN C=C[C@H](c1ccsc1)N1CCOCC1 ZINC000306767387 343884502 /nfs/dbraw/zinc/88/45/02/343884502.db2.gz CLDVKIRBBLDYJM-LLVKDONJSA-N 0 0 209.314 2.307 10 30 BEEERN CC(C)Cn1cc(CC=O)c(C(F)(F)F)n1 ZINC000409441493 343859645 /nfs/dbraw/zinc/85/96/45/343859645.db2.gz YPBILHKKQIISKM-UHFFFAOYSA-N 0 0 234.221 2.299 10 30 BEEERN N#CCc1cc(-c2ccncc2)nn1C(F)F ZINC000409443878 343863347 /nfs/dbraw/zinc/86/33/47/343863347.db2.gz VXNVROQHBGGGCU-UHFFFAOYSA-N 0 0 234.209 2.406 10 30 BEEERN CC(C)(C)OC(=O)NCCC1(CCS)N=N1 ZINC000409443232 343866197 /nfs/dbraw/zinc/86/61/97/343866197.db2.gz JNHIITIAFCRRLF-UHFFFAOYSA-N 0 0 245.348 2.383 10 30 BEEERN N#CCc1cc(C(F)(F)F)nn1CC1CC1 ZINC000409443364 343867283 /nfs/dbraw/zinc/86/72/83/343867283.db2.gz LQZAPBZBEJPFCP-UHFFFAOYSA-N 0 0 229.205 2.378 10 30 BEEERN C[C@@H](S)C(=O)N1CCCCC[C@H]1C ZINC000235258309 343886186 /nfs/dbraw/zinc/88/61/86/343886186.db2.gz XLQQUISVOPUKCS-RKDXNWHRSA-N 0 0 201.335 2.096 10 30 BEEERN C=C(Br)CNc1nc(C)co1 ZINC000307106406 343912971 /nfs/dbraw/zinc/91/29/71/343912971.db2.gz YIVNFRYZVGMDIQ-UHFFFAOYSA-N 0 0 217.066 2.304 10 30 BEEERN C[C@@H](S)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000235268088 343946643 /nfs/dbraw/zinc/94/66/43/343946643.db2.gz KPXVNPBKIARMLY-OPRDCNLKSA-N 0 0 215.362 2.247 10 30 BEEERN Cc1cc(N2C[C@@H]3CCC[C@@H]32)c(C#N)cn1 ZINC000335094077 343927487 /nfs/dbraw/zinc/92/74/87/343927487.db2.gz NKHCQGZTLYYADG-JQWIXIFHSA-N 0 0 213.284 2.250 10 30 BEEERN C=CCCCN(C)C(=O)CCc1cccnc1 ZINC000135083564 343931778 /nfs/dbraw/zinc/93/17/78/343931778.db2.gz WTAQXXCAKKBRNW-UHFFFAOYSA-N 0 0 232.327 2.439 10 30 BEEERN C=CCCCN(C)C(=O)Cc1ccc(C)nc1 ZINC000135090952 343932595 /nfs/dbraw/zinc/93/25/95/343932595.db2.gz WYSLVMOCSCWBJK-UHFFFAOYSA-N 0 0 232.327 2.357 10 30 BEEERN C=CCCCN(C)C(=O)c1cc(C)nn1CC ZINC000135106353 343935723 /nfs/dbraw/zinc/93/57/23/343935723.db2.gz OTRBLGNXNNPTPW-UHFFFAOYSA-N 0 0 235.331 2.250 10 30 BEEERN N#Cc1ccc(Cl)cc1-n1ccnc1 ZINC000062790117 347023873 /nfs/dbraw/zinc/02/38/73/347023873.db2.gz HLNRRBAWELPLST-UHFFFAOYSA-N 0 0 203.632 2.397 10 30 BEEERN OCCCC#Cc1nccc2sccc21 ZINC000585145116 344179959 /nfs/dbraw/zinc/17/99/59/344179959.db2.gz YNZWEVSNUYVEAF-UHFFFAOYSA-N 0 0 217.293 2.420 10 30 BEEERN C[C@H](C=O)Sc1ncnc2ccccc21 ZINC000616572088 344182882 /nfs/dbraw/zinc/18/28/82/344182882.db2.gz JMLUVRSUFGXOAX-MRVPVSSYSA-N 0 0 218.281 2.309 10 30 BEEERN C#CC(C)(C)Oc1ncnc(Cl)c1C ZINC000165955726 344247991 /nfs/dbraw/zinc/24/79/91/344247991.db2.gz UDGVWJHVDWPVSG-UHFFFAOYSA-N 0 0 210.664 2.229 10 30 BEEERN C#CC(C)(C)Oc1ccc(C(C)=O)cn1 ZINC000165957859 344248306 /nfs/dbraw/zinc/24/83/06/344248306.db2.gz YSQLIHPQLCFZNW-UHFFFAOYSA-N 0 0 203.241 2.075 10 30 BEEERN Cn1ccc(CC(=O)C2=CCCCC2)n1 ZINC000236087872 344297141 /nfs/dbraw/zinc/29/71/41/344297141.db2.gz MWEHWMBZFKOJHN-UHFFFAOYSA-N 0 0 204.273 2.032 10 30 BEEERN N#Cc1cccc(C(F)(F)F)c1CO ZINC000306748893 344423970 /nfs/dbraw/zinc/42/39/70/344423970.db2.gz LMKUVDWHJBPBPQ-UHFFFAOYSA-N 0 0 201.147 2.069 10 30 BEEERN C[C@H](CS)Cn1cnc2c1CCCC2 ZINC000127428138 344374975 /nfs/dbraw/zinc/37/49/75/344374975.db2.gz ZBDGKVSUVDWANZ-VIFPVBQESA-N 0 0 210.346 2.328 10 30 BEEERN N#CC[C@@H](O)c1cc(F)c(F)cc1F ZINC000236554177 344397354 /nfs/dbraw/zinc/39/73/54/344397354.db2.gz KIMPGVQJFWFGHB-SECBINFHSA-N 0 0 201.147 2.051 10 30 BEEERN Cn1cc(CC2=CC(=O)CCCC2)cn1 ZINC000230164153 344415887 /nfs/dbraw/zinc/41/58/87/344415887.db2.gz VRJWKGSOPIBDSW-UHFFFAOYSA-N 0 0 204.273 2.032 10 30 BEEERN N#Cc1cc2n(ccn2C2CCCC2)n1 ZINC000409439575 344460554 /nfs/dbraw/zinc/46/05/54/344460554.db2.gz SEFCBSRQHDRXMQ-UHFFFAOYSA-N 0 0 200.245 2.123 10 30 BEEERN C[C@H](Oc1ccccc1)c1cc(C#N)ncn1 ZINC000409436483 344462783 /nfs/dbraw/zinc/46/27/83/344462783.db2.gz AQPZWSBEGDWKRT-JTQLQIEISA-N 0 0 225.251 2.488 10 30 BEEERN N#Cc1c2c(nn1CC1CC1)CCCC2 ZINC000409440070 344463000 /nfs/dbraw/zinc/46/30/00/344463000.db2.gz RNWWMIPYXIYNIR-UHFFFAOYSA-N 0 0 201.273 2.044 10 30 BEEERN CC(C)Cn1cc(C#N)c(-c2cccnc2)n1 ZINC000409440055 344463402 /nfs/dbraw/zinc/46/34/02/344463402.db2.gz RLCVWLVKOLIAFE-UHFFFAOYSA-N 0 0 226.283 2.473 10 30 BEEERN COc1ncccc1CN[C@H]1CCCC[C@H]1C#N ZINC000054825486 344471718 /nfs/dbraw/zinc/47/17/18/344471718.db2.gz PZNCQUQSWKXAOH-AAEUAGOBSA-N 0 0 245.326 2.262 10 30 BEEERN C#C[C@@H](NN)c1cc(Cl)ccc1Cl ZINC000158085339 344475297 /nfs/dbraw/zinc/47/52/97/344475297.db2.gz RVPGABCJVDTQMU-SECBINFHSA-N 0 0 215.083 2.131 10 30 BEEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)cs1 ZINC000381146772 344478817 /nfs/dbraw/zinc/47/88/17/344478817.db2.gz KNXSAHKKOCOICA-GXSJLCMTSA-N 0 0 234.324 2.479 10 30 BEEERN COc1c(Br)ccc(CC#N)c1O ZINC000217114746 344515758 /nfs/dbraw/zinc/51/57/58/344515758.db2.gz PHYIUOKJSGYILX-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN COc1ccc(CC#N)c(O)c1Br ZINC000217114884 344515764 /nfs/dbraw/zinc/51/57/64/344515764.db2.gz DLHAMRWXPZGSRG-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN C#C[C@H](NC)c1ccc(Br)cc1F ZINC000166109852 344530130 /nfs/dbraw/zinc/53/01/30/344530130.db2.gz LICYIBIWSRHGMR-JTQLQIEISA-N 0 0 242.091 2.482 10 30 BEEERN CC(C)n1nc2c(c1C#N)CSCC2 ZINC000259233754 344556140 /nfs/dbraw/zinc/55/61/40/344556140.db2.gz DLZXHNYPUCNBOX-UHFFFAOYSA-N 0 0 207.302 2.125 10 30 BEEERN CSC[C@H](C)Nc1cccnc1C#N ZINC000127663618 344592427 /nfs/dbraw/zinc/59/24/27/344592427.db2.gz GJLPHFFPLUTIBK-QMMMGPOBSA-N 0 0 207.302 2.117 10 30 BEEERN CC1(C)C[C@@](Br)(C#N)CCO1 ZINC000127637829 344582033 /nfs/dbraw/zinc/58/20/33/344582033.db2.gz LRPCJFNETGDOGP-MRVPVSSYSA-N 0 0 218.094 2.233 10 30 BEEERN CC[C@@H](NC(=O)c1ccc(C#N)cn1)C(C)C ZINC000111276161 344586702 /nfs/dbraw/zinc/58/67/02/344586702.db2.gz UWLBEOAIIJXSEN-LLVKDONJSA-N 0 0 231.299 2.118 10 30 BEEERN N#CCc1c(F)cc(N)cc1C(F)(F)F ZINC000396107992 344603973 /nfs/dbraw/zinc/60/39/73/344603973.db2.gz YHEITSRPJNPQSL-UHFFFAOYSA-N 0 0 218.153 2.493 10 30 BEEERN N#CCc1nccc([N+](=O)[O-])c1C(F)(F)F ZINC000396119184 344608009 /nfs/dbraw/zinc/60/80/09/344608009.db2.gz JWTMDDGGUCXIBB-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN N#CCc1cnc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000396121036 344608532 /nfs/dbraw/zinc/60/85/32/344608532.db2.gz PIZKEZHAWOJOLQ-UHFFFAOYSA-N 0 0 231.133 2.075 10 30 BEEERN CC[C@@H]1CCCCCN1C(=O)CS ZINC000128043559 344724899 /nfs/dbraw/zinc/72/48/99/344724899.db2.gz PSAJHALKLIWMMC-SECBINFHSA-N 0 0 201.335 2.097 10 30 BEEERN O=CCOc1ccc(C(F)(F)F)cc1 ZINC000050160505 344727697 /nfs/dbraw/zinc/72/76/97/344727697.db2.gz FCCQWDXKKACIMZ-UHFFFAOYSA-N 0 0 204.147 2.283 10 30 BEEERN N#C[C@@H]1CCCC[C@@H]1NC(=O)C1CCCC1 ZINC000259962446 344702406 /nfs/dbraw/zinc/70/24/06/344702406.db2.gz LRHWFANMAZWELJ-RYUDHWBXSA-N 0 0 220.316 2.375 10 30 BEEERN CC(C)CC(=O)N[C@H]1CCCC[C@@H]1C#N ZINC000260115762 344710241 /nfs/dbraw/zinc/71/02/41/344710241.db2.gz RFOUPEVBNGDTGJ-MNOVXSKESA-N 0 0 208.305 2.231 10 30 BEEERN N#Cc1n[nH]nc1-c1cccc2ccccc21 ZINC000115660519 344713512 /nfs/dbraw/zinc/71/35/12/344713512.db2.gz MVPOINARJLCXBS-UHFFFAOYSA-N 0 0 220.235 2.497 10 30 BEEERN Cc1nn([C@H](C)C#N)c(C)c1Br ZINC000050593256 344717104 /nfs/dbraw/zinc/71/71/04/344717104.db2.gz IKNAUWFMXHSANW-RXMQYKEDSA-N 0 0 228.093 2.347 10 30 BEEERN Nc1ccc(/N=C/c2ccccn2)cc1[N+](=O)[O-] ZINC000004869151 344750257 /nfs/dbraw/zinc/75/02/57/344750257.db2.gz FCIOIBAGCRMUDQ-OVCLIPMQSA-N 0 0 242.238 2.323 10 30 BEEERN CS(=O)(=O)O[C@@H]1CCCCc2ccccc21 ZINC000166196965 344780241 /nfs/dbraw/zinc/78/02/41/344780241.db2.gz POLJZVUICTZPQJ-GFCCVEGCSA-N 0 0 240.324 2.430 10 30 BEEERN C#Cc1ccc2c(c1)OCC(C)(C)CO2 ZINC000167066123 344766901 /nfs/dbraw/zinc/76/69/01/344766901.db2.gz RHJPJXJFHJBMPW-UHFFFAOYSA-N 0 0 202.253 2.465 10 30 BEEERN C[C@@H](C#N)[C@H](O)c1occc1Br ZINC000235059273 344754639 /nfs/dbraw/zinc/75/46/39/344754639.db2.gz YKATTZAUAHUASW-FSPLSTOPSA-N 0 0 230.061 2.235 10 30 BEEERN CC(C)[C@H]1CCCC[C@@H]1OS(C)(=O)=O ZINC000166240095 344811335 /nfs/dbraw/zinc/81/13/35/344811335.db2.gz IJVZBMSIKSXOED-ZJUUUORDSA-N 0 0 220.334 2.177 10 30 BEEERN CC(C)(C#N)C(=O)NCCCc1cccc(F)c1 ZINC000109231129 534971185 /nfs/dbraw/zinc/97/11/85/534971185.db2.gz DJFWMWHFGKEZPC-UHFFFAOYSA-N 0 0 248.301 2.424 10 30 BEEERN CC(C)(C#N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110444778 534974306 /nfs/dbraw/zinc/97/43/06/534974306.db2.gz SRKJDIXIDZEQKY-CHWSQXEVSA-N 0 0 242.322 2.456 10 30 BEEERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)CCS)C1 ZINC000235378630 344898128 /nfs/dbraw/zinc/89/81/28/344898128.db2.gz BQTSXLZPNTYDIP-OPRDCNLKSA-N 0 0 215.362 2.199 10 30 BEEERN C#C[C@H](C)Oc1nccc(C#N)c1Cl ZINC000235536814 344934081 /nfs/dbraw/zinc/93/40/81/344934081.db2.gz DWMCXBCXBXQKSI-ZETCQYMHSA-N 0 0 206.632 2.007 10 30 BEEERN COC(=O)c1ccc2c(c1)CC[C@H](C#N)C2 ZINC000166737369 345007418 /nfs/dbraw/zinc/00/74/18/345007418.db2.gz UXSBRWXUUBSFBD-VIFPVBQESA-N 0 0 215.252 2.102 10 30 BEEERN N#CCc1ccc(OC(F)F)cc1F ZINC000238526759 345070529 /nfs/dbraw/zinc/07/05/29/345070529.db2.gz DBNWCUFSFWTVKJ-UHFFFAOYSA-N 0 0 201.147 2.493 10 30 BEEERN Cc1cnc(OC(F)(F)F)cc1C#N ZINC000238536090 345072409 /nfs/dbraw/zinc/07/24/09/345072409.db2.gz KQAMKGGUSOAKHT-UHFFFAOYSA-N 0 0 202.135 2.160 10 30 BEEERN N#CCc1cccnc1OC(F)(F)F ZINC000238550124 345075472 /nfs/dbraw/zinc/07/54/72/345075472.db2.gz XOOXVTBOHQDTKY-UHFFFAOYSA-N 0 0 202.135 2.046 10 30 BEEERN Cc1ccc(Oc2nccnc2C#N)cc1 ZINC000054379594 178822158 /nfs/dbraw/zinc/82/21/58/178822158.db2.gz SRNUXSOBVAJUCX-UHFFFAOYSA-N 0 0 211.224 2.449 10 30 BEEERN Cc1ccc(S(=O)(=O)C2=CC(=O)CC2)cc1 ZINC000058824895 178822426 /nfs/dbraw/zinc/82/24/26/178822426.db2.gz DOOULGBDQFEHLC-UHFFFAOYSA-N 0 0 236.292 2.016 10 30 BEEERN N#CCc1cc(O)ccc1C(F)(F)F ZINC000238713231 345116234 /nfs/dbraw/zinc/11/62/34/345116234.db2.gz HQLWFSRHYZEXJA-UHFFFAOYSA-N 0 0 201.147 2.477 10 30 BEEERN Cc1ccc([C@@H](C#N)NC[C@H]2CCCO2)cc1 ZINC000037940046 178831792 /nfs/dbraw/zinc/83/17/92/178831792.db2.gz LTBBSMOVXCPJPI-ZIAGYGMSSA-N 0 0 230.311 2.328 10 30 BEEERN C#C[C@@H](C)Nc1cc(Cl)nc(SC)n1 ZINC000229336885 345518221 /nfs/dbraw/zinc/51/82/21/345518221.db2.gz DWBYQSVGOGFFTI-ZCFIWIBFSA-N 0 0 227.720 2.286 10 30 BEEERN CCC[C@@H](CC(=O)OC)Nc1ccc(C#N)cn1 ZINC000092946695 345649005 /nfs/dbraw/zinc/64/90/05/345649005.db2.gz VDYFBEMSCHVDTL-NSHDSACASA-N 0 0 247.298 2.097 10 30 BEEERN N#Cc1c(OC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000114234547 345756106 /nfs/dbraw/zinc/75/61/06/345756106.db2.gz ULTSZDKDOKIDBL-SECBINFHSA-N 0 0 248.238 2.024 10 30 BEEERN COc1ccc(F)c(Br)c1CC=O ZINC000214470441 345760446 /nfs/dbraw/zinc/76/04/46/345760446.db2.gz XLBFPMLBOAJIOA-UHFFFAOYSA-N 0 0 247.063 2.338 10 30 BEEERN CCOCOc1ccc2cc(C#N)c(=O)oc2c1 ZINC000033979293 345814628 /nfs/dbraw/zinc/81/46/28/345814628.db2.gz GWVWVNOJPMPUEH-UHFFFAOYSA-N 0 0 245.234 2.037 10 30 BEEERN C[C@@](C#N)(NC1CCCC1)C(F)(F)F ZINC000235734057 345817553 /nfs/dbraw/zinc/81/75/53/345817553.db2.gz BWLWWHZZHDYBIY-QMMMGPOBSA-N 0 0 206.211 2.363 10 30 BEEERN CSc1ccc([C@H](O)C#CC(C)(C)O)cc1 ZINC000138223793 345805696 /nfs/dbraw/zinc/80/56/96/345805696.db2.gz OOPITSHTTCQOJF-GFCCVEGCSA-N 0 0 236.336 2.216 10 30 BEEERN C#C[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000035259685 345847204 /nfs/dbraw/zinc/84/72/04/345847204.db2.gz NVGOXTCHTQBLHA-SECBINFHSA-N 0 0 220.268 2.449 10 30 BEEERN C[Si](C)(C)C#Cc1ncc(F)cc1N ZINC000215605827 345848063 /nfs/dbraw/zinc/84/80/63/345848063.db2.gz MQTCXBIKBGQMTD-UHFFFAOYSA-N 0 0 208.312 2.032 10 30 BEEERN O=C1OCc2c1ccc([C@H]1CO1)c2C(F)(F)F ZINC000220565951 345858506 /nfs/dbraw/zinc/85/85/06/345858506.db2.gz TUOOUVLDMMGYBK-MRVPVSSYSA-N 0 0 244.168 2.447 10 30 BEEERN CO/N=C1\CCCc2cc(OC)ccc21 ZINC000034408060 345826961 /nfs/dbraw/zinc/82/69/61/345826961.db2.gz VUWWOMAFWYFFIK-OUKQBFOZSA-N 0 0 205.257 2.382 10 30 BEEERN C=C1C(=O)O[C@@H]2CC(C)=C3CC[C@@](C)(O)[C@@H]3C[C@H]12 ZINC000004098170 290762291 /nfs/dbraw/zinc/76/22/91/290762291.db2.gz CLYBLORMANTURF-RGCMKSIDSA-N 0 0 248.322 2.356 10 30 biogenic,in-vitro BEEERN C#C[C@@H](O)c1cccc(C)c1Br ZINC000235810074 345916335 /nfs/dbraw/zinc/91/63/35/345916335.db2.gz AIDROURLGPJFNA-SECBINFHSA-N 0 0 225.085 2.424 10 30 BEEERN N/N=C/c1nc(-c2cccs2)n2ccccc12 ZINC000033960836 345956852 /nfs/dbraw/zinc/95/68/52/345956852.db2.gz ZHTRWYOIGKGXPA-RIYZIHGNSA-N 0 0 242.307 2.355 10 30 BEEERN COc1cc2[nH]cc(C#N)c(=S)c2cc1OC ZINC000145449579 345937362 /nfs/dbraw/zinc/93/73/62/345937362.db2.gz DCPBNMFWJLCQHQ-UHFFFAOYSA-N 0 0 246.291 2.412 10 30 BEEERN CCOC(=O)C#C[C@@H](CC)CC(F)F ZINC000685953631 537943112 /nfs/dbraw/zinc/94/31/12/537943112.db2.gz NSQGYGCWWRGYOO-MRVPVSSYSA-N 0 0 204.216 2.234 10 30 BEEERN O=C1C=CO[C@@H](COCc2ccccc2)C1 ZINC000034146143 346210127 /nfs/dbraw/zinc/21/01/27/346210127.db2.gz IRQQAWBBQRVPSH-CYBMUJFWSA-N 0 0 218.252 2.075 10 30 BEEERN N#CC[S@@](=O)Cc1ccccc1Cl ZINC000236045836 346186391 /nfs/dbraw/zinc/18/63/91/346186391.db2.gz FOSLBJIBZWQKDV-CYBMUJFWSA-N 0 0 213.689 2.112 10 30 BEEERN C=CCC(=O)Nc1c(Cl)ncnc1Cl ZINC000236064065 346187176 /nfs/dbraw/zinc/18/71/76/346187176.db2.gz MARBUESAHYEGAR-UHFFFAOYSA-N 0 0 232.070 2.298 10 30 BEEERN O[C@H](CC#Cc1ccccc1)C(F)(F)F ZINC000136306132 346190570 /nfs/dbraw/zinc/19/05/70/346190570.db2.gz NIDBHZDDDOZMIM-SNVBAGLBSA-N 0 0 214.186 2.351 10 30 BEEERN C=CC(=O)c1ccc(Br)o1 ZINC000167348525 346238045 /nfs/dbraw/zinc/23/80/45/346238045.db2.gz KGHJATHZMGNTRH-UHFFFAOYSA-N 0 0 201.019 2.411 10 30 BEEERN C#CC[C@@H](O)Cc1c(F)cccc1Cl ZINC000062351997 346242541 /nfs/dbraw/zinc/24/25/41/346242541.db2.gz CNZMNCNNTJBWOU-MRVPVSSYSA-N 0 0 212.651 2.406 10 30 BEEERN CON(C)C(=O)c1ccc2cc(C#N)ccc2c1 ZINC000034456189 346286118 /nfs/dbraw/zinc/28/61/18/346286118.db2.gz FVHLKPQIPJRIBW-UHFFFAOYSA-N 0 0 240.262 2.345 10 30 BEEERN O=CCCSc1ccc([N+](=O)[O-])cc1 ZINC000062546500 346278911 /nfs/dbraw/zinc/27/89/11/346278911.db2.gz VULOFWUUQLRYLU-UHFFFAOYSA-N 0 0 211.242 2.276 10 30 BEEERN Cc1cccc(CCc2nc(C#N)c(N)o2)c1 ZINC000077341050 179062513 /nfs/dbraw/zinc/06/25/13/179062513.db2.gz OFBDRQLAHDTFFG-UHFFFAOYSA-N 0 0 227.267 2.222 10 30 BEEERN Cc1cccc(N)c1C(=O)N(CCC#N)C(C)C ZINC000036798188 179119361 /nfs/dbraw/zinc/11/93/61/179119361.db2.gz HHNXOQBSULBVFM-UHFFFAOYSA-N 0 0 245.326 2.342 10 30 BEEERN Cc1cc(NC[C@@H](C)C#N)c(C#N)c(C)n1 ZINC000301670917 346589827 /nfs/dbraw/zinc/58/98/27/346589827.db2.gz NXTJYMLMVYQGAZ-QMMMGPOBSA-N 0 0 214.272 2.142 10 30 BEEERN Cc1ccc(C#N)c(N2CC[C@@H](C(F)F)C2)n1 ZINC000588040507 346627852 /nfs/dbraw/zinc/62/78/52/346627852.db2.gz AWEHJMUXSIEKNR-SNVBAGLBSA-N 0 0 237.253 2.353 10 30 BEEERN N#Cc1cccnc1N1CC[C@H](C(F)F)C1 ZINC000588040599 346627971 /nfs/dbraw/zinc/62/79/71/346627971.db2.gz FVRLNHMKTOAWBU-VIFPVBQESA-N 0 0 223.226 2.045 10 30 BEEERN Cc1ccncc1C(=O)C1=COCCC1 ZINC000164825093 346628585 /nfs/dbraw/zinc/62/85/85/346628585.db2.gz PPBAWZUYPVCLLN-UHFFFAOYSA-N 0 0 203.241 2.267 10 30 BEEERN C=CCCC(=O)Nc1nccnc1Cl ZINC000230685932 346756052 /nfs/dbraw/zinc/75/60/52/346756052.db2.gz VXUUUMIZCOCXAY-UHFFFAOYSA-N 0 0 211.652 2.035 10 30 BEEERN Cc1cccc(N[C@H](C#N)[C@@H]2CCOC2)c1 ZINC000037936722 179156703 /nfs/dbraw/zinc/15/67/03/179156703.db2.gz CZXZZZZVCWBVMB-DGCLKSJQSA-N 0 0 216.284 2.336 10 30 BEEERN N#Cc1cccc(SC(=S)N2CCCC2)n1 ZINC000301842496 187371636 /nfs/dbraw/zinc/37/16/36/187371636.db2.gz JXLHEOBRXBUZMW-UHFFFAOYSA-N 0 0 249.364 2.426 10 30 BEEERN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)o1 ZINC000309579444 347108144 /nfs/dbraw/zinc/10/81/44/347108144.db2.gz PYQVZESFLQRENQ-HBNTYKKESA-N 0 0 219.288 2.326 10 30 BEEERN Cc1cccc(OCCn2ccnc2C#N)c1 ZINC000123999142 179169153 /nfs/dbraw/zinc/16/91/53/179169153.db2.gz PIRXHMFUHPCYPK-UHFFFAOYSA-N 0 0 227.267 2.142 10 30 BEEERN Cc1cccc(SC[C@@](C)(N)C#N)c1 ZINC000045220421 179177845 /nfs/dbraw/zinc/17/78/45/179177845.db2.gz NUKGENZIPMCEOI-NSHDSACASA-N 0 0 206.314 2.328 10 30 BEEERN N#Cc1cc(N)cc(Oc2cccnc2)c1 ZINC000117824633 347204086 /nfs/dbraw/zinc/20/40/86/347204086.db2.gz LNVYBPTXUDUCOH-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#C[C@H](NC(=O)CCc1ccc(F)cc1)C1CC1 ZINC000108837753 347209809 /nfs/dbraw/zinc/20/98/09/347209809.db2.gz ZAJVNNHXOIYTKU-ZDUSSCGKSA-N 0 0 246.285 2.177 10 30 BEEERN COc1cnc(OC(F)(F)F)c(CC#N)c1 ZINC000390118150 347252662 /nfs/dbraw/zinc/25/26/62/347252662.db2.gz DHSQYXSBJZCWPA-UHFFFAOYSA-N 0 0 232.161 2.055 10 30 BEEERN Cc1cccc([C@H](C#N)NC[C@H]2CCCO2)c1 ZINC000037939861 179191924 /nfs/dbraw/zinc/19/19/24/179191924.db2.gz NGOGBMOYYKPSCM-KGLIPLIRSA-N 0 0 230.311 2.328 10 30 BEEERN C#Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000118643399 347242354 /nfs/dbraw/zinc/24/23/54/347242354.db2.gz WBPIQHRSQQCAII-UHFFFAOYSA-N 0 0 215.296 2.143 10 30 BEEERN Cn1cc([C@H]2CCC[N@@H+]2CCC(C)(C)C#N)cn1 ZINC000119910948 347313380 /nfs/dbraw/zinc/31/33/80/347313380.db2.gz MCTKRYLEVHROET-CYBMUJFWSA-N 0 0 246.358 2.497 10 30 BEEERN CCCCOC[C@@H](O)COc1ccccc1C#N ZINC000193244272 347392975 /nfs/dbraw/zinc/39/29/75/347392975.db2.gz JXMKCGRAOMQUFB-CYBMUJFWSA-N 0 0 249.310 2.115 10 30 BEEERN CN(Cc1ccncc1)[C@H]1CCC[C@@H]1C#N ZINC000036776128 347464019 /nfs/dbraw/zinc/46/40/19/347464019.db2.gz GWMOYZQOUTWPGP-OLZOCXBDSA-N 0 0 215.300 2.206 10 30 BEEERN C=CCNC(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000111432641 347573697 /nfs/dbraw/zinc/57/36/97/347573697.db2.gz HOHOVKIJDPLGSZ-ZWNOBZJWSA-N 0 0 230.311 2.405 10 30 BEEERN CN(C(=O)/N=C1/CCCN1C)c1ccccc1 ZINC000199221402 347704130 /nfs/dbraw/zinc/70/41/30/347704130.db2.gz AZAASTRTUORENE-OWBHPGMISA-N 0 0 231.299 2.367 10 30 BEEERN C[C@H](CC=O)CCO[C@H]1CCCCO1 ZINC000200042201 347787604 /nfs/dbraw/zinc/78/76/04/347787604.db2.gz GKOYIGWZEGXHMI-MNOVXSKESA-N 0 0 200.278 2.145 10 30 BEEERN Cc1ccccc1N[C@@H](C#N)[C@@H]1CCOC1 ZINC000037937947 179305973 /nfs/dbraw/zinc/30/59/73/179305973.db2.gz WECMTHZMGVPCKL-YPMHNXCESA-N 0 0 216.284 2.336 10 30 BEEERN Cc1ccccc1N[C@@H](C#N)[C@H]1CCOC1 ZINC000037937949 179305515 /nfs/dbraw/zinc/30/55/15/179305515.db2.gz WECMTHZMGVPCKL-AAEUAGOBSA-N 0 0 216.284 2.336 10 30 BEEERN Cc1ccccc1Oc1ccnc(/C(N)=N/O)c1 ZINC000061813898 179314293 /nfs/dbraw/zinc/31/42/93/179314293.db2.gz AVYYDECHKRTGND-UHFFFAOYSA-N 0 0 243.266 2.277 10 30 BEEERN Cc1ccccc1OCc1nc(CC#N)no1 ZINC000073641541 179312757 /nfs/dbraw/zinc/31/27/57/179312757.db2.gz TVAHNHVUWOKSJM-UHFFFAOYSA-N 0 0 229.239 2.023 10 30 BEEERN C#CCNCc1ccc(Br)cc1F ZINC000036984890 347997528 /nfs/dbraw/zinc/99/75/28/347997528.db2.gz ACFLFBCBYUSIQU-UHFFFAOYSA-N 0 0 242.091 2.311 10 30 BEEERN N#C[C@@H]1CCCC[C@H]1N1CCSCC1 ZINC000037146697 348023528 /nfs/dbraw/zinc/02/35/28/348023528.db2.gz PYMIGPRWIUXLFW-WDEREUQCSA-N 0 0 210.346 2.118 10 30 BEEERN Cc1c(C#N)c(N)nc2cc(F)ccc12 ZINC000725244797 537997209 /nfs/dbraw/zinc/99/72/09/537997209.db2.gz XHSPOFRUIZWDBG-UHFFFAOYSA-N 0 0 201.204 2.136 10 30 BEEERN COC(=O)c1cc(CS)c(C)s1 ZINC000725244699 537998009 /nfs/dbraw/zinc/99/80/09/537998009.db2.gz RUXCISAKXYJMMU-UHFFFAOYSA-N 0 0 202.300 2.273 10 30 BEEERN C[Si](C)(C)C#C[C@H](O)Cc1ccccc1 ZINC000169981550 187390557 /nfs/dbraw/zinc/39/05/57/187390557.db2.gz HBSGOYLLGQWALH-ZDUSSCGKSA-N 0 0 218.372 2.471 10 30 BEEERN C=C(Cl)CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000177046779 187390987 /nfs/dbraw/zinc/39/09/87/187390987.db2.gz YXGMNGMVDQSAQY-SECBINFHSA-N 0 0 233.739 2.401 10 30 BEEERN C[C@H]1CCc2ccccc2N1C[C@H]1CO1 ZINC000251640294 362893184 /nfs/dbraw/zinc/89/31/84/362893184.db2.gz JDFGEJBRFVPDOK-JQWIXIFHSA-N 0 0 203.285 2.227 10 30 BEEERN CN(C)c1c(C#N)cnc2ccc(F)cc21 ZINC000053994983 187395146 /nfs/dbraw/zinc/39/51/46/187395146.db2.gz DSBVEZYPKFYXJK-UHFFFAOYSA-N 0 0 215.231 2.312 10 30 BEEERN CN(C)[C@]1(C#N)CCCN(Cc2ccccc2)C1 ZINC000037354686 348353581 /nfs/dbraw/zinc/35/35/81/348353581.db2.gz QLRSMQITZVQMKY-HNNXBMFYSA-N 0 0 243.354 2.106 10 30 BEEERN CSC(=NC#N)N1C[C@@H](C)CC[C@H]1C ZINC000251788277 362918831 /nfs/dbraw/zinc/91/88/31/362918831.db2.gz LLLXTALGFWDVNN-DTWKUNHWSA-N 0 0 211.334 2.307 10 30 BEEERN CCOC(=O)/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000204810824 348408374 /nfs/dbraw/zinc/40/83/74/348408374.db2.gz UXLUKYVOXHYYDQ-YRNVUSSQSA-N 0 0 222.200 2.170 10 30 BEEERN N#Cc1ccc(Cl)c(N2CCSCC2)n1 ZINC000669382975 538006319 /nfs/dbraw/zinc/00/63/19/538006319.db2.gz QEPCONGIVSMYKZ-UHFFFAOYSA-N 0 0 239.731 2.160 10 30 BEEERN Cc1ccsc1-c1nc(CC#N)no1 ZINC000073641395 179533833 /nfs/dbraw/zinc/53/38/33/179533833.db2.gz CKQCWGYEHJPUOE-UHFFFAOYSA-N 0 0 205.242 2.173 10 30 BEEERN C#CC[C@H](O)CCCCO[C@@H]1CCCCO1 ZINC000038588826 348704543 /nfs/dbraw/zinc/70/45/43/348704543.db2.gz FYVDBBAQKMRIGO-STQMWFEESA-N 0 0 226.316 2.084 10 30 BEEERN CO/C=N/c1cc(C)nn1-c1ccccc1 ZINC000207470779 348767490 /nfs/dbraw/zinc/76/74/90/348767490.db2.gz FWHHTRRETCVTOP-UKTHLTGXSA-N 0 0 215.256 2.487 10 30 BEEERN N#C[C@@H]1OC12CC(OCc1ccccc1)C2 ZINC000669383641 538011250 /nfs/dbraw/zinc/01/12/50/538011250.db2.gz UFMUDHDSFIPMNK-CPCZMJQVSA-N 0 0 215.252 2.027 10 30 BEEERN C#Cc1ccc2c3c1cccc3C(=O)N(CC)C2=O ZINC000116438642 348974563 /nfs/dbraw/zinc/97/45/63/348974563.db2.gz AYGXEBXIFZUSPD-UHFFFAOYSA-N 0 0 249.269 2.437 10 30 in-vitro BEEERN Cc1ccc(C(=O)N(CCC#N)C(C)C)c(C)n1 ZINC000055330901 349091621 /nfs/dbraw/zinc/09/16/21/349091621.db2.gz ABEATYKMMHPKAF-UHFFFAOYSA-N 0 0 245.326 2.463 10 30 BEEERN Cc1cocc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000599629719 349229177 /nfs/dbraw/zinc/22/91/77/349229177.db2.gz LFXOZDWLUUFFTN-MWLCHTKSSA-N 0 0 218.256 2.010 10 30 BEEERN CCCCCCCCNCC(=O)OC ZINC000059058293 349200217 /nfs/dbraw/zinc/20/02/17/349200217.db2.gz YAZCLELXPSBXDX-UHFFFAOYSA-N 0 0 201.310 2.110 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)CCC(F)(F)F ZINC000088833726 191000975 /nfs/dbraw/zinc/00/09/75/191000975.db2.gz FGFFRXNSCWFFTD-SFYZADRCSA-N 0 0 234.221 2.137 10 30 BEEERN N#C[C@H]1CCC[C@H]1NC(=O)CCC(F)(F)F ZINC000088833724 191001011 /nfs/dbraw/zinc/00/10/11/191001011.db2.gz FGFFRXNSCWFFTD-HTQZYQBOSA-N 0 0 234.221 2.137 10 30 BEEERN O=CC[C@H](O)c1cccc2ccccc21 ZINC000159365043 350068908 /nfs/dbraw/zinc/06/89/08/350068908.db2.gz YWCLIGCWKWGWBI-ZDUSSCGKSA-N 0 0 200.237 2.462 10 30 BEEERN Cc1nc([C@H](C)NC[C@H](C)C#N)cs1 ZINC000054180883 180049854 /nfs/dbraw/zinc/04/98/54/180049854.db2.gz QUXNUKKKQSCVEZ-SFYZADRCSA-N 0 0 209.318 2.262 10 30 BEEERN Cc1nc2cc(CCS)ccc2n1C ZINC000077299930 180077635 /nfs/dbraw/zinc/07/76/35/180077635.db2.gz PSGGJEZGVAZSPN-UHFFFAOYSA-N 0 0 206.314 2.354 10 30 BEEERN CC(C)Oc1ccc(C(=O)N[C@H](C)C#N)cc1 ZINC000604543603 350143945 /nfs/dbraw/zinc/14/39/45/350143945.db2.gz FXAOSODQKNKZHG-SNVBAGLBSA-N 0 0 232.283 2.116 10 30 BEEERN C=C[C@H](N[C@H](C)c1cccc(C)c1)C(=O)OC ZINC000304201329 350144148 /nfs/dbraw/zinc/14/41/48/350144148.db2.gz HOYOWPBHAFOMOV-YPMHNXCESA-N 0 0 233.311 2.373 10 30 BEEERN Cc1nccc(CN[C@H]2CCCCC[C@H]2C#N)n1 ZINC000054825896 180190955 /nfs/dbraw/zinc/19/09/55/180190955.db2.gz IOTDFEVSZNPIIA-JSGCOSHPSA-N 0 0 244.342 2.347 10 30 BEEERN Cc1nccc(N(C)c2cccc(C#N)c2)n1 ZINC000061957593 180193575 /nfs/dbraw/zinc/19/35/75/180193575.db2.gz ADNXYWHBEMGXND-UHFFFAOYSA-N 0 0 224.267 2.425 10 30 BEEERN Cc1cc(C)c2c(c1)n(C)cc(C#N)c2=O ZINC000072237060 187442696 /nfs/dbraw/zinc/44/26/96/187442696.db2.gz KJOBXXPFVJXLLN-UHFFFAOYSA-N 0 0 212.252 2.027 10 30 BEEERN Cc1nn(-c2ccc(Cl)cc2)nc1C#N ZINC000072417394 180328230 /nfs/dbraw/zinc/32/82/30/180328230.db2.gz NMPHWDLZQFYJJC-UHFFFAOYSA-N 0 0 218.647 2.101 10 30 BEEERN C[C@H](C#N)C(=O)c1cc(F)c(F)c(F)c1 ZINC000063007259 350379561 /nfs/dbraw/zinc/37/95/61/350379561.db2.gz RATKYDRHWUCBPT-RXMQYKEDSA-N 0 0 213.158 2.446 10 30 BEEERN Cc1nn(-c2ncccc2C#N)c(C)c1Cl ZINC000050586580 180331947 /nfs/dbraw/zinc/33/19/47/180331947.db2.gz RCOVVZYFHJIVEQ-UHFFFAOYSA-N 0 0 232.674 2.409 10 30 BEEERN Cc1nn(C)c(OCCCC(C)C)c1C#N ZINC000104319214 180360100 /nfs/dbraw/zinc/36/01/00/180360100.db2.gz VFRHVZWUXJLDMV-UHFFFAOYSA-N 0 0 221.304 2.415 10 30 BEEERN C[C@@H]1CCC[C@H](C)[N@H+]1C1CC(C#CC(=O)[O-])C1 ZINC000725265099 538092563 /nfs/dbraw/zinc/09/25/63/538092563.db2.gz FNMFRNZUBPCOQM-MPEURRAXSA-N 0 0 235.327 2.116 10 30 BEEERN CC(C)[C@H]1CCC[C@@H](OS(C)(=O)=O)C1 ZINC000231006224 350520960 /nfs/dbraw/zinc/52/09/60/350520960.db2.gz NFOYKBJQQLVQFZ-VHSXEESVSA-N 0 0 220.334 2.177 10 30 BEEERN Cc1nnc(Sc2ccc(C#N)cc2N)s1 ZINC000037668795 180440542 /nfs/dbraw/zinc/44/05/42/180440542.db2.gz WZYONSXCEOONLR-UHFFFAOYSA-N 0 0 248.336 2.452 10 30 BEEERN Cc1cnc(CN[C@@H]2CCCC[C@H]2C#N)o1 ZINC000231650737 350632597 /nfs/dbraw/zinc/63/25/97/350632597.db2.gz LGXNHIQDOWZBTG-WDEREUQCSA-N 0 0 219.288 2.155 10 30 BEEERN N#Cc1ccc(N[C@H]2CCC[C@@H](O)C2)cc1 ZINC000309519498 350695261 /nfs/dbraw/zinc/69/52/61/350695261.db2.gz AZJUMFPHOBIMAL-QWHCGFSZSA-N 0 0 216.284 2.274 10 30 BEEERN C=CCOC(=O)[C@@]1(CC=C)CCCCC1=O ZINC000104839472 191122059 /nfs/dbraw/zinc/12/20/59/191122059.db2.gz RKNSVVUVOUXEEV-ZDUSSCGKSA-N 0 0 222.284 2.421 10 30 BEEERN CC(=O)N1CCC[C@H]1c1ccccc1C#N ZINC000616610368 350808287 /nfs/dbraw/zinc/80/82/87/350808287.db2.gz PCVQBXFVWSYQMU-ZDUSSCGKSA-N 0 0 214.268 2.242 10 30 BEEERN CCc1cc2c(ncnc2CC#N)s1 ZINC000063046476 350813529 /nfs/dbraw/zinc/81/35/29/350813529.db2.gz ISCZJDCTEJLQIA-UHFFFAOYSA-N 0 0 203.270 2.320 10 30 BEEERN C#CCN[C@@H](C#N)c1ccc(Br)cc1 ZINC000051962844 350829374 /nfs/dbraw/zinc/82/93/74/350829374.db2.gz IWGABXPVGFXHOG-NSHDSACASA-N 0 0 249.111 2.237 10 30 BEEERN C[C@@]1([C@]2(C=O)CCCS2)CCC[C@]1(C)O ZINC000306731586 350900674 /nfs/dbraw/zinc/90/06/74/350900674.db2.gz QUMCWPGSUSBJFO-GRYCIOLGSA-N 0 0 228.357 2.392 10 30 BEEERN C[Si](C)(C)C[C@@]1(C=O)CCCOC1 ZINC000306734313 350904498 /nfs/dbraw/zinc/90/44/98/350904498.db2.gz URTHMLYMGQSPAD-SNVBAGLBSA-N 0 0 200.354 2.320 10 30 BEEERN COc1ccc(Br)cc1C=NO ZINC000252364431 350909948 /nfs/dbraw/zinc/90/99/48/350909948.db2.gz FOPPMJDZHLMQIP-UHFFFAOYSA-N 0 0 230.061 2.266 10 30 BEEERN CC(=O)N1CCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616620028 350924852 /nfs/dbraw/zinc/92/48/52/350924852.db2.gz DQKCZGQLQOATFJ-AWEZNQCLSA-N 0 0 228.295 2.284 10 30 BEEERN C#CCN(C)c1cc(Br)ccc1N ZINC000306718912 350877651 /nfs/dbraw/zinc/87/76/51/350877651.db2.gz JFTDJVURNRLTNW-UHFFFAOYSA-N 0 0 239.116 2.101 10 30 BEEERN C=CC(=O)c1ccc(N)c(Br)c1 ZINC000159673088 350971770 /nfs/dbraw/zinc/97/17/70/350971770.db2.gz KSPSHWOXLQSHET-UHFFFAOYSA-N 0 0 226.073 2.400 10 30 BEEERN C=C(Cl)CNc1ncc(Cl)cn1 ZINC000129087506 350979782 /nfs/dbraw/zinc/97/97/82/350979782.db2.gz HJQJDAYSCGVHSY-UHFFFAOYSA-N 0 0 204.060 2.294 10 30 BEEERN Cc1cnn(C)c1C1=CC(=O)C[C@@H](C)C1 ZINC000306806711 351059357 /nfs/dbraw/zinc/05/93/57/351059357.db2.gz KQKGADLNXIHZAG-QMMMGPOBSA-N 0 0 204.273 2.111 10 30 BEEERN CC1(C)CCN(C/C=C/CS)C(=O)C1 ZINC000306815764 351083720 /nfs/dbraw/zinc/08/37/20/351083720.db2.gz DDRVYYDWPYVDNX-ONEGZZNKSA-N 0 0 213.346 2.121 10 30 BEEERN N#CCc1nccc(C(F)(F)F)c1F ZINC000306837773 351148687 /nfs/dbraw/zinc/14/86/87/351148687.db2.gz WMTCQTFSWFRXAS-UHFFFAOYSA-N 0 0 204.126 2.306 10 30 BEEERN N#CCc1ccc(Br)c(F)c1O ZINC000306823408 351130763 /nfs/dbraw/zinc/13/07/63/351130763.db2.gz PXBKWCFHGZRHCR-UHFFFAOYSA-N 0 0 230.036 2.360 10 30 BEEERN S[C@H]1CCOC2(CCSCC2)C1 ZINC000306861813 351244562 /nfs/dbraw/zinc/24/45/62/351244562.db2.gz GPZJHYHOSRUFRT-QMMMGPOBSA-N 0 0 204.360 2.361 10 30 BEEERN CC#CCNc1cc(Cl)nnc1Cl ZINC000167994639 351224884 /nfs/dbraw/zinc/22/48/84/351224884.db2.gz YLVLDDJUAFLHTA-UHFFFAOYSA-N 0 0 216.071 2.219 10 30 BEEERN COc1cccc(C(=O)C2=CCCO2)c1 ZINC000168080285 351287230 /nfs/dbraw/zinc/28/72/30/351287230.db2.gz SDBJXWQKOAMMJU-UHFFFAOYSA-N 0 0 204.225 2.182 10 30 BEEERN Cc1cc(Br)nc(C)c1C#N ZINC000306913467 351324901 /nfs/dbraw/zinc/32/49/01/351324901.db2.gz TYPFSYDLKDXZMA-UHFFFAOYSA-N 0 0 211.062 2.333 10 30 BEEERN COC(=O)c1cc(C#N)c(Cl)cc1C ZINC000306916053 351328475 /nfs/dbraw/zinc/32/84/75/351328475.db2.gz WDQBDZAFSJBWOZ-UHFFFAOYSA-N 0 0 209.632 2.307 10 30 BEEERN CC(=O)Nc1cccc(NC2=NCCCS2)c1 ZINC000034971988 351369804 /nfs/dbraw/zinc/36/98/04/351369804.db2.gz DOLFAJYRENOWDW-UHFFFAOYSA-N 0 0 249.339 2.359 10 30 BEEERN Cc1ccc(CC#N)nc1Br ZINC000306947275 351373324 /nfs/dbraw/zinc/37/33/24/351373324.db2.gz PBDLXMMFTFRGHA-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN C#CCSc1ccccc1OC(C)=O ZINC000013782087 187480687 /nfs/dbraw/zinc/48/06/87/187480687.db2.gz YTBLECXKSMVWCS-UHFFFAOYSA-N 0 0 206.266 2.337 10 30 BEEERN COC(=O)c1c(Cl)cc(F)cc1C#N ZINC000306988157 351405468 /nfs/dbraw/zinc/40/54/68/351405468.db2.gz ASPAPZCNCPBIHD-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN C#CC(C)(C)OCc1ccnc(Cl)n1 ZINC000306979241 351397231 /nfs/dbraw/zinc/39/72/31/351397231.db2.gz FMCNPZYQUGHAOA-UHFFFAOYSA-N 0 0 210.664 2.058 10 30 BEEERN N#Cc1c(N)ccc(F)c1C(F)(F)F ZINC000306935610 351360114 /nfs/dbraw/zinc/36/01/14/351360114.db2.gz INCGNZBAOVGHQP-UHFFFAOYSA-N 0 0 204.126 2.298 10 30 BEEERN C#CC[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000307031219 351432937 /nfs/dbraw/zinc/43/29/37/351432937.db2.gz OSXNBUFSJCXMES-SSDOTTSWSA-N 0 0 210.258 2.480 10 30 BEEERN O=C1CCC=C1c1cccc([N+](=O)[O-])c1 ZINC000307038235 351436279 /nfs/dbraw/zinc/43/62/79/351436279.db2.gz FSPRCSOOQGUXJA-UHFFFAOYSA-N 0 0 203.197 2.341 10 30 BEEERN C[C@](O)(C=O)Cc1cccc(Cl)c1Cl ZINC000228839267 351420051 /nfs/dbraw/zinc/42/00/51/351420051.db2.gz TZTGJGWPUCXWRP-SNVBAGLBSA-N 0 0 233.094 2.486 10 30 BEEERN C[C@@](O)(C=O)Cc1cccc(Cl)c1Cl ZINC000228839255 351420089 /nfs/dbraw/zinc/42/00/89/351420089.db2.gz TZTGJGWPUCXWRP-JTQLQIEISA-N 0 0 233.094 2.486 10 30 BEEERN O=C[C@@]1(C[C@H]2CCCO2)CCCS1 ZINC000307145852 351499442 /nfs/dbraw/zinc/49/94/42/351499442.db2.gz JTUNQAXHGZISGF-ZJUUUORDSA-N 0 0 200.303 2.020 10 30 BEEERN C#CCCC(=O)COCc1ccccc1 ZINC000307161720 351520338 /nfs/dbraw/zinc/52/03/38/351520338.db2.gz XHRVGHKSRVBWPN-UHFFFAOYSA-N 0 0 202.253 2.186 10 30 BEEERN C#C[C@@H](C)N(C)Cc1cc(Br)co1 ZINC000307167566 351540298 /nfs/dbraw/zinc/54/02/98/351540298.db2.gz RZOAZEXELNGUIT-MRVPVSSYSA-N 0 0 242.116 2.496 10 30 BEEERN O=CCc1c(F)ccc(F)c1Br ZINC000403995894 363052445 /nfs/dbraw/zinc/05/24/45/363052445.db2.gz LCEXMKUZFJQOTE-UHFFFAOYSA-N 0 0 235.027 2.469 10 30 BEEERN C=CCC(=O)Nc1ccsc1C(=O)OC ZINC000054401123 187491618 /nfs/dbraw/zinc/49/16/18/187491618.db2.gz XIDDSIZGZWFRBQ-UHFFFAOYSA-N 0 0 225.269 2.049 10 30 BEEERN N#CC1(CO)CC(OCc2ccc(F)cc2)C1 ZINC000606302243 351554573 /nfs/dbraw/zinc/55/45/73/351554573.db2.gz JINBGMIJAVNDAK-UHFFFAOYSA-N 0 0 235.258 2.007 10 30 BEEERN O=CC1CC(OCc2cccc(F)c2)C1 ZINC000606302204 351554695 /nfs/dbraw/zinc/55/46/95/351554695.db2.gz IERMOWWAQASRMG-UHFFFAOYSA-N 0 0 208.232 2.320 10 30 BEEERN C#Cc1ccc(OC[C@H]2CC[C@@H]2C)nc1 ZINC000606302365 351555735 /nfs/dbraw/zinc/55/57/35/351555735.db2.gz MAWCMUYYVFPWHI-CMPLNLGQSA-N 0 0 201.269 2.488 10 30 BEEERN Cc1ccccc1COC1CC(C=O)C1 ZINC000606302174 351555883 /nfs/dbraw/zinc/55/58/83/351555883.db2.gz FZHIACYWHXDUDZ-UHFFFAOYSA-N 0 0 204.269 2.489 10 30 BEEERN O=CC1CC(OCc2ccccc2F)C1 ZINC000606302790 351556763 /nfs/dbraw/zinc/55/67/63/351556763.db2.gz WPADWPZPYYIBLB-UHFFFAOYSA-N 0 0 208.232 2.320 10 30 BEEERN C/C(=N/N)c1cc(Cl)c(N)c(Cl)c1 ZINC000307245844 351751594 /nfs/dbraw/zinc/75/15/94/351751594.db2.gz WPEXPBRDEUNAKB-PQMHYQBVSA-N 0 0 218.087 2.258 10 30 BEEERN N#C[C@]1(CC2CC(F)(F)C2)CCCN1 ZINC000307254622 351789149 /nfs/dbraw/zinc/78/91/49/351789149.db2.gz YDQGFGIELKTCGC-SECBINFHSA-N 0 0 200.232 2.068 10 30 BEEERN C=C(Cl)CNc1cnc(Cl)cn1 ZINC000307264200 351813218 /nfs/dbraw/zinc/81/32/18/351813218.db2.gz BGJCIUDXVBCFGN-UHFFFAOYSA-N 0 0 204.060 2.294 10 30 BEEERN COc1c(F)c(F)cc(F)c1CC#N ZINC000307267276 351814146 /nfs/dbraw/zinc/81/41/46/351814146.db2.gz IEPCDIZCMLXSIW-UHFFFAOYSA-N 0 0 201.147 2.179 10 30 BEEERN C[C@@]1(O)CC(=O)C=C(c2ccccc2F)C1 ZINC000040174882 351930942 /nfs/dbraw/zinc/93/09/42/351930942.db2.gz BYBFLAOZRHXOPL-ZDUSSCGKSA-N 0 0 220.243 2.323 10 30 BEEERN C=CCN[C@H](C(=O)OC)c1ccc(C)cc1C ZINC000051961082 187532198 /nfs/dbraw/zinc/53/21/98/187532198.db2.gz MUAPRBUDNNLECF-ZDUSSCGKSA-N 0 0 233.311 2.293 10 30 BEEERN Cn1cc([C@@H](C#N)Nc2cccc(F)c2)cn1 ZINC000037937117 180664313 /nfs/dbraw/zinc/66/43/13/180664313.db2.gz PRJYIWWSHCPINH-GFCCVEGCSA-N 0 0 230.246 2.236 10 30 BEEERN CN[C@](C)(C#N)c1c(F)cccc1Cl ZINC000307333883 352046293 /nfs/dbraw/zinc/04/62/93/352046293.db2.gz LPZDJKJLTJZSGZ-SNVBAGLBSA-N 0 0 212.655 2.437 10 30 BEEERN CC[C@@H](C#N)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000044825341 352442472 /nfs/dbraw/zinc/44/24/72/352442472.db2.gz KATAWVIAWJPSQU-ZJUUUORDSA-N 0 0 220.272 2.315 10 30 BEEERN CC[C@H](C#N)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044828194 352443896 /nfs/dbraw/zinc/44/38/96/352443896.db2.gz JKRFHZBDRZKGTC-RAIGVLPGSA-N 0 0 228.295 2.208 10 30 BEEERN N#C[C@H](Cn1cc(Cl)cn1)C(F)(F)F ZINC000300030317 352553240 /nfs/dbraw/zinc/55/32/40/352553240.db2.gz KGTFWLNDKSTALX-RXMQYKEDSA-N 0 0 223.585 2.239 10 30 BEEERN CO[C@H](CCC#N)c1cccc(C=O)c1 ZINC000498036545 352569968 /nfs/dbraw/zinc/56/99/68/352569968.db2.gz KNTZODZEYWMQGO-GFCCVEGCSA-N 0 0 203.241 2.490 10 30 BEEERN C[C@@H]1C[C@](C#N)(NCc2ccccc2)[C@H](C)O1 ZINC000307551698 352648860 /nfs/dbraw/zinc/64/88/60/352648860.db2.gz ZHKSXFZRNQWLGU-MBNYWOFBSA-N 0 0 230.311 2.236 10 30 BEEERN N#Cc1cccc(-c2cc(N)cc(Cl)n2)n1 ZINC000072204243 187770821 /nfs/dbraw/zinc/77/08/21/187770821.db2.gz IUXLBPGRDFXPME-UHFFFAOYSA-N 0 0 230.658 2.251 10 30 BEEERN COc1cc(F)c(F)c(F)c1CC#N ZINC000307607493 352668532 /nfs/dbraw/zinc/66/85/32/352668532.db2.gz BUVISIKNNGAMMY-UHFFFAOYSA-N 0 0 201.147 2.179 10 30 BEEERN N#Cc1cncc(Cl)c1Br ZINC000307528283 352635030 /nfs/dbraw/zinc/63/50/30/352635030.db2.gz MGRYUBFVNDALST-UHFFFAOYSA-N 0 0 217.453 2.369 10 30 BEEERN N#C[C@@H]1OC12CCC(C(F)(F)F)CC2 ZINC000307613810 352670760 /nfs/dbraw/zinc/67/07/60/352670760.db2.gz NBAFBFQSIRSBTN-WTIBDHCWSA-N 0 0 205.179 2.400 10 30 BEEERN C/C(=N\OCCO)c1ccc(Cl)cc1 ZINC000169332854 187815647 /nfs/dbraw/zinc/81/56/47/187815647.db2.gz BNLSURJYOBHLER-XYOKQWHBSA-N 0 0 213.664 2.073 10 30 BEEERN N#Cc1cncc(Br)c1OC(F)F ZINC000307660056 352744933 /nfs/dbraw/zinc/74/49/33/352744933.db2.gz UAUJIZGLAOIOAJ-UHFFFAOYSA-N 0 0 249.014 2.317 10 30 BEEERN C=C1C(=O)O[C@@H]2C[C@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]12 ZINC000000526742 187875636 /nfs/dbraw/zinc/87/56/36/187875636.db2.gz HQZRHGHRYBWKFN-HPYVJYLESA-N 0 0 248.322 2.453 10 30 BEEERN N/C(=N\O)Nc1cc(Cl)cc(Cl)c1 ZINC000052833537 353108937 /nfs/dbraw/zinc/10/89/37/353108937.db2.gz GEOVSMUNRNRGLP-UHFFFAOYSA-N 0 0 220.059 2.109 10 30 BEEERN C=C[C@@H](C)Nc1ncc(Br)cc1N ZINC000229315616 353109774 /nfs/dbraw/zinc/10/97/74/353109774.db2.gz GOVPKWBJMBHESI-ZCFIWIBFSA-N 0 0 242.120 2.413 10 30 BEEERN CSCCC(=O)C#Cc1ccccc1 ZINC000307724684 353112738 /nfs/dbraw/zinc/11/27/38/353112738.db2.gz ZDTJXPWIRDGWSF-UHFFFAOYSA-N 0 0 204.294 2.360 10 30 BEEERN C#C[C@@H](C)Nc1ncnc(Cl)c1CC ZINC000229335056 353126375 /nfs/dbraw/zinc/12/63/75/353126375.db2.gz NWDUDTUHUKDGBO-SSDOTTSWSA-N 0 0 209.680 2.126 10 30 BEEERN COc1ncc(C2=CC(=O)CCC2)s1 ZINC000307756028 353130081 /nfs/dbraw/zinc/13/00/81/353130081.db2.gz GLCUJSJLJRHLNF-UHFFFAOYSA-N 0 0 209.270 2.288 10 30 BEEERN CC#CCNc1cncc(Br)c1 ZINC000229322202 353120483 /nfs/dbraw/zinc/12/04/83/353120483.db2.gz MPGDDOITZQEJKI-UHFFFAOYSA-N 0 0 225.089 2.279 10 30 BEEERN C=C(C(=O)OCC)[C@@H](O)c1ccc(CC)cc1 ZINC000019835287 188059040 /nfs/dbraw/zinc/05/90/40/188059040.db2.gz RDCYBTPBGCMCIQ-CYBMUJFWSA-N 0 0 234.295 2.402 10 30 BEEERN O=C[C@@]1([C@@H]2CCSC2)CCCS1 ZINC000405272247 353156171 /nfs/dbraw/zinc/15/61/71/353156171.db2.gz VLGRWYPQOFUMQH-RKDXNWHRSA-N 0 0 202.344 2.204 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@]12CCOC2 ZINC000329721487 538109439 /nfs/dbraw/zinc/10/94/39/538109439.db2.gz DYEOHJTZPZEKEL-ZPFDUUQYSA-N 0 0 234.299 2.062 10 30 BEEERN Cc1cc(C)nc(N=NC(C)c2ccccn2)n1 ZINC000033391395 188098699 /nfs/dbraw/zinc/09/86/99/188098699.db2.gz BHIARNUWMUBMHJ-BOPFTXTBSA-N 0 0 241.298 2.325 10 30 BEEERN CC1(C)OCc2cc([C@@H]3CO3)ccc2O1 ZINC000039120156 188110400 /nfs/dbraw/zinc/11/04/00/188110400.db2.gz ZSJXKLGDRXIOAI-NSHDSACASA-N 0 0 206.241 2.403 10 30 BEEERN COc1ccc(C[C@@](C)(C#N)N(C)C)cc1 ZINC000041231504 188118830 /nfs/dbraw/zinc/11/88/30/188118830.db2.gz KRGSUTGHROAVCF-ZDUSSCGKSA-N 0 0 218.300 2.082 10 30 BEEERN CC(C)N(CC#N)C(=O)CCOc1ccccc1 ZINC000057535620 188127721 /nfs/dbraw/zinc/12/77/21/188127721.db2.gz GUUNOYQZXKIWPF-UHFFFAOYSA-N 0 0 246.310 2.216 10 30 BEEERN C[Si](C)(C)C#Cc1ccc([N+](=O)[O-])cn1 ZINC000196767260 188128536 /nfs/dbraw/zinc/12/85/36/188128536.db2.gz KIXKSCTUWUKANO-UHFFFAOYSA-N 0 0 220.304 2.219 10 30 BEEERN COc1ccc([C@H](C#N)NC2CC2)cc1F ZINC000077330059 188135886 /nfs/dbraw/zinc/13/58/86/188135886.db2.gz IFQUFFDZDWCXHD-NSHDSACASA-N 0 0 220.247 2.151 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCCC2(CC2)C1 ZINC000329944890 538110859 /nfs/dbraw/zinc/11/08/59/538110859.db2.gz WZTZBEZREIWGIZ-RYUDHWBXSA-N 0 0 247.342 2.469 10 30 BEEERN N#Cc1ccc(-c2nc3cc(N)ccc3o2)nc1 ZINC000104227531 188151354 /nfs/dbraw/zinc/15/13/54/188151354.db2.gz IJSFIUXHGSPIGN-UHFFFAOYSA-N 0 0 236.234 2.344 10 30 BEEERN C[C@@H](CC#N)C(=O)Nc1ccccc1C#N ZINC000049815322 188153723 /nfs/dbraw/zinc/15/37/23/188153723.db2.gz JQZUWCRWKOWDAP-VIFPVBQESA-N 0 0 213.240 2.047 10 30 BEEERN C/C(=N\O)c1ccccc1OC[C@H]1CCOC1 ZINC000103387642 188160674 /nfs/dbraw/zinc/16/06/74/188160674.db2.gz QZXLYUKFDQDTLV-IWQAVIMZSA-N 0 0 235.283 2.300 10 30 BEEERN CC(C)N(CC#N)C(=O)c1cccs1 ZINC000057495418 188179723 /nfs/dbraw/zinc/17/97/23/188179723.db2.gz BFKYYKAGKSUFLW-UHFFFAOYSA-N 0 0 208.286 2.122 10 30 BEEERN COc1ccc(Nc2nccnc2C#N)cc1C ZINC000054379342 188222403 /nfs/dbraw/zinc/22/24/03/188222403.db2.gz QGSQIZGAYQMYHR-UHFFFAOYSA-N 0 0 240.266 2.409 10 30 BEEERN C#CCOCc1nc2ccccc2s1 ZINC000045237015 188217011 /nfs/dbraw/zinc/21/70/11/188217011.db2.gz ULEZYACQOWMBQW-UHFFFAOYSA-N 0 0 203.266 2.446 10 30 BEEERN C#CCS(=O)(=O)c1cccc(Cl)c1Cl ZINC000075492016 188221468 /nfs/dbraw/zinc/22/14/68/188221468.db2.gz HDTSMXZYWKTBQS-UHFFFAOYSA-N 0 0 249.118 2.400 10 30 BEEERN Cc1noc(C)c1CN[C@H]1CCC[C@@H]1C#N ZINC000070797523 353262662 /nfs/dbraw/zinc/26/26/62/353262662.db2.gz RVQFOXOOAIDZPH-PWSUYJOCSA-N 0 0 219.288 2.073 10 30 BEEERN C[C@@H](O)c1ccc(OCC#N)c(Cl)c1 ZINC000127174968 353265527 /nfs/dbraw/zinc/26/55/27/353265527.db2.gz SAIKZVGVPGZWQU-SSDOTTSWSA-N 0 0 211.648 2.296 10 30 BEEERN C=C[C@H](C)NC(=O)NCCCCSC ZINC000128316820 353287304 /nfs/dbraw/zinc/28/73/04/353287304.db2.gz JIGGCDRUZHTGFY-VIFPVBQESA-N 0 0 216.350 2.003 10 30 BEEERN C=C1C(=O)O[C@H]2C=C(C)[C@@H]3CC[C@](C)(O)[C@@H]3C[C@H]12 ZINC000066100070 188224514 /nfs/dbraw/zinc/22/45/14/188224514.db2.gz APMKESKZWHNIDJ-PFFFPCNUSA-N 0 0 248.322 2.211 10 30 biogenic,in-vitro BEEERN C=CCCCN1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190781498 353416326 /nfs/dbraw/zinc/41/63/26/353416326.db2.gz ZRHQWIURSFGOQI-CQSZACIVSA-N 0 0 249.358 2.243 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1CCC(=O)CC1 ZINC000330093053 538116765 /nfs/dbraw/zinc/11/67/65/538116765.db2.gz ZIIRPMLBWJBQBN-CMPLNLGQSA-N 0 0 234.299 2.394 10 30 BEEERN C=CCCCN(C)C(=O)Cc1ccc(O)cc1 ZINC000133879984 353433998 /nfs/dbraw/zinc/43/39/98/353433998.db2.gz MUDTUQOVAPBMMA-UHFFFAOYSA-N 0 0 233.311 2.359 10 30 BEEERN C=CCCCN(C)C(=O)c1cc(C)[nH]c(=O)c1 ZINC000133854178 353434130 /nfs/dbraw/zinc/43/41/30/353434130.db2.gz WLXDEVJXFKNNOS-UHFFFAOYSA-N 0 0 234.299 2.134 10 30 BEEERN O=CCc1c(Cl)nc(Cl)nc1Cl ZINC000230539713 353506725 /nfs/dbraw/zinc/50/67/25/353506725.db2.gz MZYDTDQBKJFHGC-UHFFFAOYSA-N 0 0 225.462 2.178 10 30 BEEERN C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000134930116 353516734 /nfs/dbraw/zinc/51/67/34/353516734.db2.gz ZRRLYHVRMHZHLG-NTZNESFSSA-N 0 0 225.332 2.272 10 30 BEEERN C=CCCCN(C)C(=O)c1ccncc1 ZINC000135089349 353526180 /nfs/dbraw/zinc/52/61/80/353526180.db2.gz OGINPJKWEGXSFL-UHFFFAOYSA-N 0 0 204.273 2.120 10 30 BEEERN C=CCCCN(C)C(=O)Cc1c(C)nn(C)c1C ZINC000135087817 353527144 /nfs/dbraw/zinc/52/71/44/353527144.db2.gz RPLTZKGDHYQURG-UHFFFAOYSA-N 0 0 249.358 2.004 10 30 BEEERN C=C(C(=O)OCC)[C@H](O)c1c(F)cccc1F ZINC000019835295 188414283 /nfs/dbraw/zinc/41/42/83/188414283.db2.gz JNOJQGPPPHQIRK-NSHDSACASA-N 0 0 242.221 2.118 10 30 BEEERN C#CC[C@H](C)Nc1nnc(Br)s1 ZINC000231146729 353569131 /nfs/dbraw/zinc/56/91/31/353569131.db2.gz VDXRWGQCDYDEJZ-YFKPBYRVSA-N 0 0 246.133 2.124 10 30 BEEERN N#C[C@@]1(NCc2ccccc2)CCSC1 ZINC000037939351 188471611 /nfs/dbraw/zinc/47/16/11/188471611.db2.gz DXHMIXSLGBNMGI-LBPRGKRZSA-N 0 0 218.325 2.175 10 30 BEEERN N#Cc1cnc2c(F)c(F)cc(F)c2c1N ZINC000061122425 188484821 /nfs/dbraw/zinc/48/48/21/188484821.db2.gz STJQTMJXGCRPIC-UHFFFAOYSA-N 0 0 223.157 2.106 10 30 BEEERN CCOc1cc(C#N)ccc1O[C@H](C)C(C)=O ZINC000048402598 188481532 /nfs/dbraw/zinc/48/15/32/188481532.db2.gz ICPWFDHKXGDDOL-SNVBAGLBSA-N 0 0 233.267 2.313 10 30 BEEERN Cc1ccc(C#N)c(N(C)C2CCOCC2)c1 ZINC000051597778 188482824 /nfs/dbraw/zinc/48/28/24/188482824.db2.gz WPPGBOAGXZRNAX-UHFFFAOYSA-N 0 0 230.311 2.482 10 30 BEEERN CC(C)C(=O)C=C(N)C(Cl)(Cl)Cl ZINC000101446191 188503490 /nfs/dbraw/zinc/50/34/90/188503490.db2.gz KJJLUWQJVVLUHU-ZZXKWVIFSA-N 0 0 230.522 2.424 10 30 BEEERN N#CC1(S(=O)(=O)c2ccc(F)cc2)CCC1 ZINC000035676673 181030926 /nfs/dbraw/zinc/03/09/26/181030926.db2.gz GMLUJLBYWOIUAT-UHFFFAOYSA-N 0 0 239.271 2.046 10 30 BEEERN N#CC(C#N)=NN=c1[nH]c2ccccc2[nH]1 ZINC000098085517 181026230 /nfs/dbraw/zinc/02/62/30/181026230.db2.gz OYNCQVKWXVYKSI-FOCLMDBBSA-N 0 0 210.200 2.062 10 30 BEEERN N#CC1(NC(=O)Cc2cccs2)CCCC1 ZINC000040216300 181029687 /nfs/dbraw/zinc/02/96/87/181029687.db2.gz NQRUCEZOGJTWIB-UHFFFAOYSA-N 0 0 234.324 2.243 10 30 BEEERN N#CC1(NC(=O)C2CCCC2)CCCC1 ZINC000040215662 181029797 /nfs/dbraw/zinc/02/97/97/181029797.db2.gz WKMRLRGNXMBOCB-UHFFFAOYSA-N 0 0 206.289 2.129 10 30 BEEERN N#CCCN(Cc1ncccn1)c1ccccc1 ZINC000054459881 181037617 /nfs/dbraw/zinc/03/76/17/181037617.db2.gz BULGZNHVXMBQRZ-UHFFFAOYSA-N 0 0 238.294 2.397 10 30 BEEERN N#CCN1CCC(c2cccs2)CC1 ZINC000057494251 181041212 /nfs/dbraw/zinc/04/12/12/181041212.db2.gz BLKLEYWCSIRJGI-UHFFFAOYSA-N 0 0 206.314 2.451 10 30 BEEERN N#CCn1cc(N)n(-c2ccc(Cl)cc2)c1=O ZINC000000001815 181041230 /nfs/dbraw/zinc/04/12/30/181041230.db2.gz IDCAZKFFVIMCCS-UHFFFAOYSA-N 0 0 248.673 2.083 10 30 in-man BEEERN N#CC[C@@H](O)COc1ccc2ccccc2c1 ZINC000041248177 181044878 /nfs/dbraw/zinc/04/48/78/181044878.db2.gz OVDVBVLUAADJRQ-CYBMUJFWSA-N 0 0 227.263 2.493 10 30 BEEERN N#CC[C@H](O)Cc1cccc(Br)c1 ZINC000041283122 181045628 /nfs/dbraw/zinc/04/56/28/181045628.db2.gz PDNSYJYWPWRSNS-JTQLQIEISA-N 0 0 240.100 2.266 10 30 BEEERN N#CCc1noc(-c2cc(F)cc(F)c2)n1 ZINC000073641404 181050484 /nfs/dbraw/zinc/05/04/84/181050484.db2.gz OVGBZTOIPKSLDK-UHFFFAOYSA-N 0 0 221.166 2.081 10 30 BEEERN N#C[C@@H](Nc1cccc(F)c1)[C@H]1CCOC1 ZINC000037936986 181057566 /nfs/dbraw/zinc/05/75/66/181057566.db2.gz VCJOAPQGLADVRN-JOYOIKCWSA-N 0 0 220.247 2.166 10 30 BEEERN N#CCn1ccc2cc(Br)cnc21 ZINC000095937068 181052150 /nfs/dbraw/zinc/05/21/50/181052150.db2.gz UGCVNJNJRJXKFB-UHFFFAOYSA-N 0 0 236.072 2.322 10 30 BEEERN N#C[C@@H](Nc1ccccc1)C1CCOCC1 ZINC000052178709 181057294 /nfs/dbraw/zinc/05/72/94/181057294.db2.gz MCHWSMSWJONKRR-CYBMUJFWSA-N 0 0 216.284 2.417 10 30 BEEERN N#CCn1nnc2cc(Cl)c(Cl)cc21 ZINC000057834278 181053138 /nfs/dbraw/zinc/05/31/38/181053138.db2.gz HTDFCIRVHFQQBD-UHFFFAOYSA-N 0 0 227.054 2.262 10 30 BEEERN N#C[C@@H](Nc1ccccc1F)[C@H]1CCOC1 ZINC000037938890 181057335 /nfs/dbraw/zinc/05/73/35/181057335.db2.gz YTLJAEMAYYBCRE-JOYOIKCWSA-N 0 0 220.247 2.166 10 30 BEEERN N#C[C@@H](NC[C@@H]1CCCO1)c1ccsc1 ZINC000037939864 181057358 /nfs/dbraw/zinc/05/73/58/181057358.db2.gz VDQMVIQKVDSMSD-WDEREUQCSA-N 0 0 222.313 2.081 10 30 BEEERN N#C[C@@H](C(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000050963786 181054022 /nfs/dbraw/zinc/05/40/22/181054022.db2.gz UZOKIGHKBLLSTN-CHWSQXEVSA-N 0 0 229.279 2.432 10 30 BEEERN N#C[C@@H](C(=O)[C@H]1CCOC1)c1ccccc1F ZINC000049671724 181054408 /nfs/dbraw/zinc/05/44/08/181054408.db2.gz NZCZIOCNHPJGKT-GXSJLCMTSA-N 0 0 233.242 2.038 10 30 BEEERN N#C[C@@H](C=O)c1cccc(Br)c1 ZINC000037354664 181054605 /nfs/dbraw/zinc/05/46/05/181054605.db2.gz RNTQEVRODMFMOP-QMMMGPOBSA-N 0 0 224.057 2.255 10 30 BEEERN N#C[C@@H](C(=O)[C@H]1CCCOC1)c1ccc(F)cc1 ZINC000062235920 181054623 /nfs/dbraw/zinc/05/46/23/181054623.db2.gz BWSHQTOOQFLAGX-WCQYABFASA-N 0 0 247.269 2.429 10 30 BEEERN N#C[C@@H](Cc1ccccc1)N1CCCC1 ZINC000035229595 181055503 /nfs/dbraw/zinc/05/55/03/181055503.db2.gz RVMGPMJVOPROMO-CYBMUJFWSA-N 0 0 200.285 2.217 10 30 BEEERN N#C[C@@H](N)CCSc1cc(F)ccc1F ZINC000062456570 181055695 /nfs/dbraw/zinc/05/56/95/181055695.db2.gz XTEMTKASDXNXOJ-QMMMGPOBSA-N 0 0 228.267 2.298 10 30 BEEERN N#C[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000044808816 181055849 /nfs/dbraw/zinc/05/58/49/181055849.db2.gz YXGMXPOYBSLHRK-CYBMUJFWSA-N 0 0 242.322 2.428 10 30 BEEERN N#C[C@@H](N)c1ccc(Br)cc1F ZINC000036670330 181056362 /nfs/dbraw/zinc/05/63/62/181056362.db2.gz XAAKACFEZUYMQE-MRVPVSSYSA-N 0 0 229.052 2.112 10 30 BEEERN N#C[C@@H](N)c1ccc(Br)s1 ZINC000041637781 181056481 /nfs/dbraw/zinc/05/64/81/181056481.db2.gz VMBFYYMZZNUKSU-SCSAIBSYSA-N 0 0 217.091 2.034 10 30 BEEERN N#C[C@@H](NC[C@H]1CCCO1)c1cccc(F)c1 ZINC000037939848 181057497 /nfs/dbraw/zinc/05/74/97/181057497.db2.gz CSOJJQIEYLDIFX-CHWSQXEVSA-N 0 0 234.274 2.159 10 30 BEEERN N#C[C@@H](NC[C@@H]1CCCO1)C1CCCCC1 ZINC000037939914 181056888 /nfs/dbraw/zinc/05/68/88/181056888.db2.gz QOYXMSUKHOQTKA-QWHCGFSZSA-N 0 0 222.332 2.227 10 30 BEEERN N#CCc1ccc(NC[C@@H]2CCCO2)cc1 ZINC000049537676 181048322 /nfs/dbraw/zinc/04/83/22/181048322.db2.gz LYDDWNJVSSUATJ-ZDUSSCGKSA-N 0 0 216.284 2.344 10 30 BEEERN N#C[C@@H](NCc1ccccc1)c1ccccn1 ZINC000019985470 181057181 /nfs/dbraw/zinc/05/71/81/181057181.db2.gz IPLRMMODGVABHC-CQSZACIVSA-N 0 0 223.279 2.436 10 30 BEEERN N#C[C@H](NC1CC1)c1cc(F)ccc1F ZINC000037233666 181064821 /nfs/dbraw/zinc/06/48/21/181064821.db2.gz BYHWHRXGXJBFLA-NSHDSACASA-N 0 0 208.211 2.281 10 30 BEEERN N#C[C@H](N)c1ccc(Br)s1 ZINC000041637784 181065022 /nfs/dbraw/zinc/06/50/22/181065022.db2.gz VMBFYYMZZNUKSU-BYPYZUCNSA-N 0 0 217.091 2.034 10 30 BEEERN N#C[C@H](NC1CCCCC1)C1CCOCC1 ZINC000052178928 181065644 /nfs/dbraw/zinc/06/56/44/181065644.db2.gz PUHOBPITKDHFOB-ZDUSSCGKSA-N 0 0 222.332 2.227 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1 ZINC000061888337 181059465 /nfs/dbraw/zinc/05/94/65/181059465.db2.gz AWVSUGIQUMUIQO-NWDGAFQWSA-N 0 0 214.268 2.109 10 30 BEEERN N#C[C@@H]1CCCN1C(=O)c1ccccc1Cl ZINC000057524701 181060192 /nfs/dbraw/zinc/06/01/92/181060192.db2.gz NJXVTEHQADDYFR-VIFPVBQESA-N 0 0 234.686 2.468 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NCc1ccccc1 ZINC000054822945 181061146 /nfs/dbraw/zinc/06/11/46/181061146.db2.gz PXMWIHRTUGGXMC-QWHCGFSZSA-N 0 0 200.285 2.468 10 30 BEEERN N#C[C@@]1(Nc2ccc(F)cc2)CN2CCC1CC2 ZINC000037935912 181062595 /nfs/dbraw/zinc/06/25/95/181062595.db2.gz SQTDLFZICHXMIV-CQSZACIVSA-N 0 0 245.301 2.226 10 30 BEEERN N#C[C@H](C(=O)[C@@H]1CCCOC1)c1ccc(F)cc1 ZINC000062235917 181063052 /nfs/dbraw/zinc/06/30/52/181063052.db2.gz BWSHQTOOQFLAGX-YPMHNXCESA-N 0 0 247.269 2.429 10 30 BEEERN C=C(C)C(=O)NCc1nc2ccccc2n1CC ZINC000040194160 188574231 /nfs/dbraw/zinc/57/42/31/188574231.db2.gz MHDNRSXKGNODHU-UHFFFAOYSA-N 0 0 243.310 2.249 10 30 BEEERN N#C[C@]1(NCc2cccs2)CCSC1 ZINC000037939552 181071942 /nfs/dbraw/zinc/07/19/42/181071942.db2.gz MZROZEBMNSZIJE-SNVBAGLBSA-N 0 0 224.354 2.237 10 30 BEEERN N#C[C@]1(Nc2ccc(F)cc2)CN2CCC1CC2 ZINC000037935913 181072156 /nfs/dbraw/zinc/07/21/56/181072156.db2.gz SQTDLFZICHXMIV-AWEZNQCLSA-N 0 0 245.301 2.226 10 30 BEEERN N#Cc1c(F)cccc1N1CCCC[C@@H](CO)C1 ZINC000371060593 181074539 /nfs/dbraw/zinc/07/45/39/181074539.db2.gz AZKKFBFTRUSUJI-LLVKDONJSA-N 0 0 248.301 2.296 10 30 BEEERN N#C[C@H]1CCCCC[C@H]1Sc1nc[nH]n1 ZINC000037154420 181067742 /nfs/dbraw/zinc/06/77/42/181067742.db2.gz ZCDPMOSOQPABFT-RKDXNWHRSA-N 0 0 222.317 2.369 10 30 BEEERN N#Cc1c(F)cccc1Cc1cnc(N)s1 ZINC000036158470 181074942 /nfs/dbraw/zinc/07/49/42/181074942.db2.gz YNRZBHXCBFEPBI-UHFFFAOYSA-N 0 0 233.271 2.327 10 30 BEEERN N#C[C@H]1CCC[C@@H]1N[C@@H]1COc2cc(O)ccc21 ZINC000061891443 181068803 /nfs/dbraw/zinc/06/88/03/181068803.db2.gz COYCQQZCAUBNQG-JIMOISOXSA-N 0 0 244.294 2.108 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1 ZINC000061888336 181068969 /nfs/dbraw/zinc/06/89/69/181068969.db2.gz AWVSUGIQUMUIQO-NEPJUHHUSA-N 0 0 214.268 2.109 10 30 BEEERN N#C[C@H]1CCCC[C@H]1NCc1cccnc1 ZINC000054824553 181069131 /nfs/dbraw/zinc/06/91/31/181069131.db2.gz JTRHAMTYEUIQSA-CHWSQXEVSA-N 0 0 215.300 2.254 10 30 BEEERN N#C[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000054825509 181070023 /nfs/dbraw/zinc/07/00/23/181070023.db2.gz XWGXFAJJTQKKQI-DGCLKSJQSA-N 0 0 245.282 2.377 10 30 BEEERN N#C[C@H]1C[C@H](F)CN1C(=O)OCc1ccccc1 ZINC000101466307 181070749 /nfs/dbraw/zinc/07/07/49/181070749.db2.gz KVYBNHDQRCKGOO-NWDGAFQWSA-N 0 0 248.257 2.259 10 30 BEEERN N#Cc1c(N)cn2cc(Br)ccc12 ZINC000040539533 181077164 /nfs/dbraw/zinc/07/71/64/181077164.db2.gz WZAKDWFWXJXUQI-UHFFFAOYSA-N 0 0 236.072 2.156 10 30 BEEERN N#Cc1cc(Br)ncc1OC1CC1 ZINC000095735061 181082781 /nfs/dbraw/zinc/08/27/81/181082781.db2.gz BIGZQLXWXHEDFG-UHFFFAOYSA-N 0 0 239.072 2.257 10 30 BEEERN N#Cc1c(F)cccc1Oc1ncccc1N ZINC000036306510 181077684 /nfs/dbraw/zinc/07/76/84/181077684.db2.gz YQOBOKUPKABPKY-UHFFFAOYSA-N 0 0 229.214 2.467 10 30 BEEERN N#Cc1ccc(-c2cccc(N)n2)s1 ZINC000050266910 181094738 /nfs/dbraw/zinc/09/47/38/181094738.db2.gz GCMGIVGHJHPAFV-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN N#Cc1ccc(-c2ccc(Cl)nn2)nc1 ZINC000072204331 181095528 /nfs/dbraw/zinc/09/55/28/181095528.db2.gz VJHGVOUVESNZQQ-UHFFFAOYSA-N 0 0 216.631 2.064 10 30 BEEERN N#Cc1cc(N)ccc1Oc1cccnc1 ZINC000041021576 181088944 /nfs/dbraw/zinc/08/89/44/181088944.db2.gz ICETWBTWRBHCLW-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ccc1F ZINC000061983943 181091277 /nfs/dbraw/zinc/09/12/77/181091277.db2.gz POOAPPSETBZGGP-LBPRGKRZSA-N 0 0 245.301 2.346 10 30 BEEERN N#Cc1cc(O)cc(-c2cccc(C(N)=O)c2)c1 ZINC000065341426 181091865 /nfs/dbraw/zinc/09/18/65/181091865.db2.gz CBGSSDHXLVBROC-UHFFFAOYSA-N 0 0 238.246 2.030 10 30 BEEERN N#Cc1cc2c(nc1N1C[C@H]3CC[C@@H]1C3)CCC2 ZINC000042265925 181092865 /nfs/dbraw/zinc/09/28/65/181092865.db2.gz QNSJQAVVACSSFQ-GXFFZTMASA-N 0 0 239.322 2.431 10 30 BEEERN N#Cc1ccc(COC[C@@H]2CCCO2)c(F)c1 ZINC000019427490 181110994 /nfs/dbraw/zinc/11/09/94/181110994.db2.gz RQMZWWGHHCNUON-LBPRGKRZSA-N 0 0 235.258 2.393 10 30 BEEERN N#Cc1ccc(F)c(COC[C@@H]2CCOC2)c1 ZINC000049690060 181113207 /nfs/dbraw/zinc/11/32/07/181113207.db2.gz JDLREMXSNZNLQW-LLVKDONJSA-N 0 0 235.258 2.250 10 30 BEEERN N#Cc1ccc(N2CCCC[C@H](CO)C2)c(F)c1 ZINC000371063682 181114903 /nfs/dbraw/zinc/11/49/03/181114903.db2.gz MPHKZNDQHBVASV-LBPRGKRZSA-N 0 0 248.301 2.296 10 30 BEEERN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2C[C@H]2C=O)C1 ZINC000306544387 259454946 /nfs/dbraw/zinc/45/49/46/259454946.db2.gz UXXJLVKSRXHBGN-DCAQKATOSA-N 0 0 239.315 2.078 10 30 BEEERN N#Cc1ccc(N2CCC[C@@H]2CCCO)cc1 ZINC000052761456 181115721 /nfs/dbraw/zinc/11/57/21/181115721.db2.gz DVBOUTZKFPLLQL-CYBMUJFWSA-N 0 0 230.311 2.300 10 30 BEEERN N#Cc1ccc(N2CC[C@H](O)C2)c2ccccc12 ZINC000038247214 181116688 /nfs/dbraw/zinc/11/66/88/181116688.db2.gz SKHCPFCIJAKNOX-LBPRGKRZSA-N 0 0 238.290 2.282 10 30 BEEERN N#Cc1ccc(N2C[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000357539537 181116816 /nfs/dbraw/zinc/11/68/16/181116816.db2.gz SJFNJFJUPSYXLM-JQWIXIFHSA-N 0 0 243.266 2.455 10 30 BEEERN N#Cc1ccc(NC(=O)c2ccccc2N)cc1 ZINC000019675405 181119126 /nfs/dbraw/zinc/11/91/26/181119126.db2.gz CXFWXRQIXZDLLC-UHFFFAOYSA-N 0 0 237.262 2.393 10 30 BEEERN N#Cc1ccc(NC(=O)c2ccc(C#N)nc2)cc1 ZINC000114998092 181119541 /nfs/dbraw/zinc/11/95/41/181119541.db2.gz PFROCQKDWNKWSH-UHFFFAOYSA-N 0 0 248.245 2.077 10 30 BEEERN N#Cc1ccc(NCc2c(F)cccc2F)nn1 ZINC000301973378 181123564 /nfs/dbraw/zinc/12/35/64/181123564.db2.gz UWJLODJGGIRPDO-UHFFFAOYSA-N 0 0 246.220 2.239 10 30 BEEERN N#Cc1ccc(NCc2ccccn2)cc1C#N ZINC000083360847 181123647 /nfs/dbraw/zinc/12/36/47/181123647.db2.gz DRTGMNACNYMOHS-UHFFFAOYSA-N 0 0 234.262 2.437 10 30 BEEERN N#Cc1ccc(NC[C@H]2CCCCO2)c(N)c1 ZINC000042813889 181123810 /nfs/dbraw/zinc/12/38/10/181123810.db2.gz YUROAAJMABRAIH-LLVKDONJSA-N 0 0 231.299 2.121 10 30 BEEERN N#Cc1ccc(OCC(=O)c2ccco2)cc1 ZINC000048102753 181127811 /nfs/dbraw/zinc/12/78/11/181127811.db2.gz HFGUGLYKTRCEGC-UHFFFAOYSA-N 0 0 227.219 2.413 10 30 BEEERN N#Cc1ccc(OCCCc2ccncc2)nc1 ZINC000034958543 181128051 /nfs/dbraw/zinc/12/80/51/181128051.db2.gz VXUVJDOQWUYJGD-UHFFFAOYSA-N 0 0 239.278 2.360 10 30 BEEERN N#Cc1cccc(-c2cn3ncccc3n2)c1 ZINC000071261183 181133641 /nfs/dbraw/zinc/13/36/41/181133641.db2.gz LIZGECYXCHZNJQ-UHFFFAOYSA-N 0 0 220.235 2.268 10 30 BEEERN N#Cc1ccc([C@@H](N)C(F)(F)F)cc1 ZINC000072191404 181130045 /nfs/dbraw/zinc/13/00/45/181130045.db2.gz IAHRECCKLMBEKX-MRVPVSSYSA-N 0 0 200.163 2.120 10 30 BEEERN N#Cc1ccccc1NC[C@@H]1CCCO1 ZINC000020077258 181147742 /nfs/dbraw/zinc/14/77/42/181147742.db2.gz AHCAHPPCIDPLNC-NSHDSACASA-N 0 0 202.257 2.149 10 30 BEEERN N#Cc1ccccc1NC[C@@H]1CCCOC1 ZINC000038046456 181148207 /nfs/dbraw/zinc/14/82/07/181148207.db2.gz JZYUOHRQISSQDG-NSHDSACASA-N 0 0 216.284 2.397 10 30 BEEERN N#Cc1ccccc1Nc1ncc(N)cc1C#N ZINC000037758989 181148700 /nfs/dbraw/zinc/14/87/00/181148700.db2.gz HVSVQQOLUIMHEE-UHFFFAOYSA-N 0 0 235.250 2.151 10 30 BEEERN N#Cc1ccccc1N[C@H]1CCCC[C@@H]1O ZINC000037691216 181149393 /nfs/dbraw/zinc/14/93/93/181149393.db2.gz SUKZTPCPZXDASQ-STQMWFEESA-N 0 0 216.284 2.274 10 30 BEEERN N#Cc1cccnc1-c1cccc(C=O)c1 ZINC000090669361 181150634 /nfs/dbraw/zinc/15/06/34/181150634.db2.gz SUFYQBNNXATHMB-UHFFFAOYSA-N 0 0 208.220 2.433 10 30 BEEERN N#Cc1cccnc1N(CCO)C1CCCCC1 ZINC000042525820 181150733 /nfs/dbraw/zinc/15/07/33/181150733.db2.gz AQXDIZDRQPNQPE-UHFFFAOYSA-N 0 0 245.326 2.085 10 30 BEEERN C=CCNCC(=O)c1ccc(C)cc1C ZINC000041612583 166398396 /nfs/dbraw/zinc/39/83/96/166398396.db2.gz QAYYPBDDJIWMPC-UHFFFAOYSA-N 0 0 203.285 2.262 10 30 BEEERN N#Cc1ccnc(Nc2ccc(N)cc2)c1 ZINC000019519370 181157990 /nfs/dbraw/zinc/15/79/90/181157990.db2.gz ARKFJARKRXJSHP-UHFFFAOYSA-N 0 0 210.240 2.279 10 30 BEEERN N#Cc1ccnc(Oc2cccc(N)c2)c1 ZINC000036667195 181158462 /nfs/dbraw/zinc/15/84/62/181158462.db2.gz VMWXNNSNJRRSQM-UHFFFAOYSA-N 0 0 211.224 2.328 10 30 BEEERN N#Cc1cnn(-c2ccccc2Cl)c1 ZINC000071508791 181164990 /nfs/dbraw/zinc/16/49/90/181164990.db2.gz XZSUSLWIIOYYGE-UHFFFAOYSA-N 0 0 203.632 2.397 10 30 BEEERN N#Cc1nc(Cl)n(Cc2ccccc2)c1N ZINC000090568360 181168897 /nfs/dbraw/zinc/16/88/97/181168897.db2.gz AMHKVSAHSPMEOH-UHFFFAOYSA-N 0 0 232.674 2.039 10 30 BEEERN N#Cc1nc2cc(Br)ccc2o1 ZINC000083320094 181169025 /nfs/dbraw/zinc/16/90/25/181169025.db2.gz WTANBQWLQYOULE-UHFFFAOYSA-N 0 0 223.029 2.462 10 30 BEEERN N#Cc1ncc(Br)c2cc[nH]c21 ZINC000044713281 181170916 /nfs/dbraw/zinc/17/09/16/181170916.db2.gz FKXSLLRMPKFCPZ-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN N#Cc1nccn1Cc1ccc(Cl)cc1 ZINC000059955457 181172899 /nfs/dbraw/zinc/17/28/99/181172899.db2.gz XMSBQGQCWSKHDM-UHFFFAOYSA-N 0 0 217.659 2.456 10 30 BEEERN N/C(=N\O)Nc1ccc(-c2ccccc2)cc1 ZINC000052833874 181180806 /nfs/dbraw/zinc/18/08/06/181180806.db2.gz IWXDKXKGJFKZFM-UHFFFAOYSA-N 0 0 227.267 2.469 10 30 BEEERN N/C(=N\O)c1ccc2c(c1)ncn2C1CCCC1 ZINC000065335556 181181660 /nfs/dbraw/zinc/18/16/60/181181660.db2.gz SIBTYKLRDQKKNI-UHFFFAOYSA-N 0 0 244.298 2.246 10 30 BEEERN N/C(=N\O)c1ccc(Sc2ccccn2)cc1 ZINC000019866437 181181802 /nfs/dbraw/zinc/18/18/02/181181802.db2.gz IMWQBYCLDKEDNO-UHFFFAOYSA-N 0 0 245.307 2.327 10 30 BEEERN N=C(Nc1cccc(F)c1)c1ccncc1 ZINC000005785105 181182549 /nfs/dbraw/zinc/18/25/49/181182549.db2.gz PSASAOMEXWAJEI-UHFFFAOYSA-N 0 0 215.231 2.258 10 30 BEEERN O=C1C=C(N2CC[C@@H]3CCCC[C@H]32)CC1 ZINC000160262750 355771974 /nfs/dbraw/zinc/77/19/74/355771974.db2.gz XNOCCOBPTGKNGY-GXFFZTMASA-N 0 0 205.301 2.498 10 30 BEEERN Fc1cccc(NC2=NCCS2)c1F ZINC000040230934 355818708 /nfs/dbraw/zinc/81/87/08/355818708.db2.gz YKTHBIKRTRMUAI-UHFFFAOYSA-N 0 0 214.240 2.289 10 30 BEEERN Cc1ccc(CN(C)c2ncccc2C#N)o1 ZINC000035122217 355835328 /nfs/dbraw/zinc/83/53/28/355835328.db2.gz MHLQYTCGMTZTHX-UHFFFAOYSA-N 0 0 227.267 2.491 10 30 BEEERN COC(=O)CCCNc1cccc(F)c1C#N ZINC000035134964 355842325 /nfs/dbraw/zinc/84/23/25/355842325.db2.gz RICSMAIRCHEUGS-UHFFFAOYSA-N 0 0 236.246 2.062 10 30 BEEERN C/[N+]([O-])=C/c1ccc2ccc3cccnc3c2n1 ZINC000617913085 355847200 /nfs/dbraw/zinc/84/72/00/355847200.db2.gz JZXYMXKCVFPKSW-UHFFFAOYSA-N 0 0 238.270 2.233 10 30 BEEERN C[C@H]1OCC[C@H]1NC(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000329186660 355902107 /nfs/dbraw/zinc/90/21/07/355902107.db2.gz AWXJJNGMTQSJAV-CHWFTXMASA-N 0 0 239.315 2.126 10 30 BEEERN Cc1noc(C)c1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000329931637 356145912 /nfs/dbraw/zinc/14/59/12/356145912.db2.gz PCFOGSSZWDNOJK-NXEZZACHSA-N 0 0 235.287 2.321 10 30 BEEERN C[C@@H]1CC[C@H](CC(=O)N[C@@H](C#N)C2CC2)C1 ZINC000129285117 324934358 /nfs/dbraw/zinc/93/43/58/324934358.db2.gz ZPBTUDSHKHCYCS-SCVCMEIPSA-N 0 0 220.316 2.231 10 30 BEEERN C[C@H](N[C@H]1CCC[C@H]1C#N)c1ccncc1 ZINC000088169975 356573438 /nfs/dbraw/zinc/57/34/38/356573438.db2.gz UMIQZBPBIXHREY-DRZSPHRISA-N 0 0 215.300 2.424 10 30 BEEERN N#CC1(C(=O)N2CCCC[C@H]2C(F)F)CCC1 ZINC000336382785 134145621 /nfs/dbraw/zinc/14/56/21/134145621.db2.gz WXMNJARABUCGKH-VIFPVBQESA-N 0 0 242.269 2.326 10 30 BEEERN Cn1ncc(N)c1-c1ccc(C2CC2)c(C#N)c1 ZINC000675069895 538498921 /nfs/dbraw/zinc/49/89/21/538498921.db2.gz JDLALMASUDOMMM-UHFFFAOYSA-N 0 0 238.294 2.418 10 30 BEEERN CC(C)(C)OC(=O)C#Cc1cc(F)ccc1N ZINC000675079259 538517248 /nfs/dbraw/zinc/51/72/48/538517248.db2.gz SJPWMEWQCGPEQV-UHFFFAOYSA-N 0 0 235.258 2.101 10 30 BEEERN CCCC[C@]1(CC)O[C@@H]1C(=O)OCC ZINC000084324850 538532658 /nfs/dbraw/zinc/53/26/58/538532658.db2.gz USLDFLOUSTUMTB-KOLCDFICSA-N 0 0 200.278 2.287 10 30 BEEERN COC(=O)[C@]1(C)O[C@@]1(C)CCC(C)C ZINC000085657890 538543956 /nfs/dbraw/zinc/54/39/56/538543956.db2.gz VRHDZROVRQMPIJ-QWRGUYRKSA-N 0 0 200.278 2.143 10 30 BEEERN C=CCNC(=O)N[C@H](CC)c1nccs1 ZINC000121624704 356836467 /nfs/dbraw/zinc/83/64/67/356836467.db2.gz JDFHUMXVNPWWED-MRVPVSSYSA-N 0 0 225.317 2.079 10 30 BEEERN C[C@H]1CCN(C[C@H](C#N)C(F)(F)F)C1 ZINC000300027331 357172401 /nfs/dbraw/zinc/17/24/01/357172401.db2.gz BVLUCDRHTWJQRY-YUMQZZPRSA-N 0 0 206.211 2.030 10 30 BEEERN CCc1nn(C)cc1CN[C@H]1CCCC[C@@H]1C#N ZINC000168709797 357192285 /nfs/dbraw/zinc/19/22/85/357192285.db2.gz TYBTUNSVDRBGAN-RISCZKNCSA-N 0 0 246.358 2.154 10 30 BEEERN C#CC(=O)c1cccc(F)c1Br ZINC000168750302 357211359 /nfs/dbraw/zinc/21/13/59/357211359.db2.gz AQKAXXCPKBNWDX-UHFFFAOYSA-N 0 0 227.032 2.404 10 30 BEEERN C#CC(=O)c1ccc(OC)c(Br)c1 ZINC000168768682 357226347 /nfs/dbraw/zinc/22/63/47/357226347.db2.gz OBJDVBHXZLCMCW-UHFFFAOYSA-N 0 0 239.068 2.274 10 30 BEEERN C[C@@H](CC#N)n1cc(Br)cn1 ZINC000026547504 357175123 /nfs/dbraw/zinc/17/51/23/357175123.db2.gz ZXJCEGCEWIBDAM-LURJTMIESA-N 0 0 214.066 2.120 10 30 BEEERN N#Cc1ccccc1CN[C@H]1CCC[C@@H]1C#N ZINC000230686530 357549637 /nfs/dbraw/zinc/54/96/37/357549637.db2.gz LCXXBRZRPWSQNX-OCCSQVGLSA-N 0 0 225.295 2.340 10 30 BEEERN CCCn1cc(CN[C@@H]2CCC[C@H]2C#N)cn1 ZINC000230686631 357550255 /nfs/dbraw/zinc/55/02/55/357550255.db2.gz QPFGOZWQJWOQNF-QWHCGFSZSA-N 0 0 232.331 2.075 10 30 BEEERN CC#CCNC(=O)CCCc1ccc(C)cc1 ZINC000120864600 134230585 /nfs/dbraw/zinc/23/05/85/134230585.db2.gz QNIBLUGHLUJHIA-UHFFFAOYSA-N 0 0 229.323 2.457 10 30 BEEERN C#CC[C@@H](NN)c1ccc(F)cc1Cl ZINC000169018085 358009242 /nfs/dbraw/zinc/00/92/42/358009242.db2.gz XCFBVAPVUHFMEF-SNVBAGLBSA-N 0 0 212.655 2.007 10 30 BEEERN C=C(C)CNC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000123088064 134242540 /nfs/dbraw/zinc/24/25/40/134242540.db2.gz UFCBIGQDPZTSSW-LLVKDONJSA-N 0 0 249.310 2.155 10 30 BEEERN CCOC(=O)[C@@H](C=O)c1ccc(Cl)cc1 ZINC000038254477 358143449 /nfs/dbraw/zinc/14/34/49/358143449.db2.gz XAAPLYUHKZIFDM-JTQLQIEISA-N 0 0 226.659 2.186 10 30 BEEERN N#Cc1cc(-c2nc([C@H]3CC34CC4)no2)ccn1 ZINC000351272726 358169126 /nfs/dbraw/zinc/16/91/26/358169126.db2.gz CRBKLJXQJKJRST-SNVBAGLBSA-N 0 0 238.250 2.271 10 30 BEEERN C=CCCS(=O)(=O)Cc1ccccc1 ZINC000039204498 358219909 /nfs/dbraw/zinc/21/99/09/358219909.db2.gz ALTADVHDROODGK-UHFFFAOYSA-N 0 0 210.298 2.178 10 30 BEEERN C=C(COCc1ccccc1)C(=O)OCC ZINC000039040213 358217192 /nfs/dbraw/zinc/21/71/92/358217192.db2.gz JPXSJXMHQJYDAW-UHFFFAOYSA-N 0 0 220.268 2.323 10 30 BEEERN CC(=O)N/C=C\C(=O)c1ccc(Cl)cc1 ZINC000584611904 358275686 /nfs/dbraw/zinc/27/56/86/358275686.db2.gz WOEWAPMQTSQQBL-SREVYHEPSA-N 0 0 223.659 2.173 10 30 BEEERN N#CCc1nc(-c2ccc([N+](=O)[O-])cc2)co1 ZINC000584613162 358276833 /nfs/dbraw/zinc/27/68/33/358276833.db2.gz IQEINUBJKKCLQK-UHFFFAOYSA-N 0 0 229.195 2.316 10 30 BEEERN C=CC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(COC)cc1 ZINC000584595327 358252777 /nfs/dbraw/zinc/25/27/77/358252777.db2.gz PBKPAIYDRNPAQN-ZDUSSCGKSA-N 0 0 249.310 2.077 10 30 BEEERN COc1c[nH]c(=O)cc1-c1cc(F)ccc1C#N ZINC000584598647 358255956 /nfs/dbraw/zinc/25/59/56/358255956.db2.gz LYALCRRBPMNBIS-UHFFFAOYSA-N 0 0 244.225 2.474 10 30 BEEERN CC(=NC#N)NC(C)(C)C#Cc1ccccc1 ZINC000584601617 358258621 /nfs/dbraw/zinc/25/86/21/358258621.db2.gz DMGHFYKQQPLMRE-UHFFFAOYSA-N 0 0 225.295 2.306 10 30 BEEERN CCOP(=O)(CC(=O)C1=C(C)C1)OCC ZINC000584601897 358259448 /nfs/dbraw/zinc/25/94/48/358259448.db2.gz GAHQVNBCVRJILK-SECBINFHSA-N 0 0 232.216 2.398 10 30 BEEERN Cc1ccc(OC[C@@H](C)NC=NC#N)cc1C ZINC000584605486 358264803 /nfs/dbraw/zinc/26/48/03/358264803.db2.gz SEOZFTVDWVJJQT-GFCCVEGCSA-N 0 0 231.299 2.170 10 30 BEEERN CC/N=C(/C(=O)OCC)c1ccccc1 ZINC000584610186 358272404 /nfs/dbraw/zinc/27/24/04/358272404.db2.gz YCWJWIGWPHWKRT-ACCUITESSA-N 0 0 205.257 2.059 10 30 BEEERN O=CC[C@@H](CCc1ccccc1)C[N+](=O)[O-] ZINC000584610559 358273914 /nfs/dbraw/zinc/27/39/14/358273914.db2.gz QIHJPCNVECTGRH-GFCCVEGCSA-N 0 0 221.256 2.101 10 30 BEEERN O=CC[C@H](C[N+](=O)[O-])c1cccc(Cl)c1 ZINC000584610802 358274579 /nfs/dbraw/zinc/27/45/79/358274579.db2.gz NHCBLZZEQUAJHL-SECBINFHSA-N 0 0 227.647 2.289 10 30 BEEERN CO/N=C1\CCc2c(ccc(OC)c2OC)C1 ZINC000584621903 358290215 /nfs/dbraw/zinc/29/02/15/358290215.db2.gz VFRFOVYUKFPBHE-GXDHUFHOSA-N 0 0 235.283 2.195 10 30 BEEERN C=C(CC#C[Si](C)(C)C)COC(C)=O ZINC000584625959 358295219 /nfs/dbraw/zinc/29/52/19/358295219.db2.gz RVTZOAQCRWMWRI-UHFFFAOYSA-N 0 0 210.349 2.377 10 30 BEEERN C=C(COCc1ccccc1)c1cnc(N)cn1 ZINC000584628644 358297913 /nfs/dbraw/zinc/29/79/13/358297913.db2.gz RHZPGWGROIZHAG-UHFFFAOYSA-N 0 0 241.294 2.289 10 30 BEEERN Cc1cnc(CO)cc1C#CCC1CC1 ZINC000584629266 358298293 /nfs/dbraw/zinc/29/82/93/358298293.db2.gz COSDYAGZXSZTRK-UHFFFAOYSA-N 0 0 201.269 2.034 10 30 BEEERN C=CCOc1ccc(OC)cc1OC[C@H]1CO1 ZINC000584651043 358305885 /nfs/dbraw/zinc/30/58/85/358305885.db2.gz RGQYNJNVQRVYKH-LLVKDONJSA-N 0 0 236.267 2.038 10 30 BEEERN C=C[C@H]1CC(=O)O[C@@H]1CC#C[Si](C)(C)C ZINC000584658304 358310114 /nfs/dbraw/zinc/31/01/14/358310114.db2.gz VWRZWXITNACEJL-WDEREUQCSA-N 0 0 222.360 2.375 10 30 BEEERN C#C[C@@]1(O)C[C@H]2c3ccc(OC)cc3CC[C@H]2C1 ZINC000584616989 358281372 /nfs/dbraw/zinc/28/13/72/358281372.db2.gz FFILOGKGEMCWCM-MAZHCROVSA-N 0 0 242.318 2.499 10 30 BEEERN Cc1nc(C#CC2CCCC2)c([N+](=O)[O-])n1C ZINC000584634674 358318981 /nfs/dbraw/zinc/31/89/81/358318981.db2.gz YBWQVAXOPADAHP-UHFFFAOYSA-N 0 0 233.271 2.178 10 30 BEEERN COc1cc2c(Cl)ncnc2cc1C#N ZINC000584640401 358326275 /nfs/dbraw/zinc/32/62/75/358326275.db2.gz BTRBYMHBNYRNBK-UHFFFAOYSA-N 0 0 219.631 2.163 10 30 BEEERN C=CCNc1cccc(Br)n1 ZINC000229299091 358376321 /nfs/dbraw/zinc/37/63/21/358376321.db2.gz DASMEEYGJVGEPE-UHFFFAOYSA-N 0 0 213.078 2.442 10 30 BEEERN CC[C@](C)(C#N)NC(=O)[C@H]1CCC[C@@H]1C ZINC000230062057 358391797 /nfs/dbraw/zinc/39/17/97/358391797.db2.gz DOXICWSXJISOSC-JBLDHEPKSA-N 0 0 208.305 2.231 10 30 BEEERN CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000044410559 358549017 /nfs/dbraw/zinc/54/90/17/358549017.db2.gz PUYQRMALXVGCRS-VXGBXAGGSA-N 0 0 228.295 2.208 10 30 BEEERN CC(C)(C#N)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000044410562 358549123 /nfs/dbraw/zinc/54/91/23/358549123.db2.gz PUYQRMALXVGCRS-NEPJUHHUSA-N 0 0 228.295 2.208 10 30 BEEERN N#CCCCN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000127586356 358564526 /nfs/dbraw/zinc/56/45/26/358564526.db2.gz PGLPNBJKNSAVPX-CQSZACIVSA-N 0 0 246.310 2.069 10 30 BEEERN C=CCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128095019 358570131 /nfs/dbraw/zinc/57/01/31/358570131.db2.gz XFCNNWHFYWSGPZ-OCCSQVGLSA-N 0 0 237.343 2.106 10 30 BEEERN C=CCCC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000133371943 358752506 /nfs/dbraw/zinc/75/25/06/358752506.db2.gz XXNLJNCIKOQNRT-ZDUSSCGKSA-N 0 0 249.310 2.454 10 30 BEEERN CCCn1cc(CN(C)[C@@H](C)CC#N)cn1 ZINC000132283423 358714696 /nfs/dbraw/zinc/71/46/96/358714696.db2.gz ZHNBZMZNXFPZLB-NSHDSACASA-N 0 0 220.320 2.027 10 30 BEEERN C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCCO1 ZINC000135009060 358815977 /nfs/dbraw/zinc/81/59/77/358815977.db2.gz RHSYOSOUCANDSW-DGCLKSJQSA-N 0 0 225.332 2.226 10 30 BEEERN CSCCCC(=O)N(C)C1(C#N)CCC1 ZINC000134674665 358801529 /nfs/dbraw/zinc/80/15/29/358801529.db2.gz HZZWHUKJLGYMGE-UHFFFAOYSA-N 0 0 226.345 2.034 10 30 BEEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccccn1 ZINC000054825137 358876422 /nfs/dbraw/zinc/87/64/22/358876422.db2.gz HPRZIHAHZARWJJ-DMDPSCGWSA-N 0 0 215.300 2.424 10 30 BEEERN CC[C@H](S)C(=O)Nc1cccnc1C ZINC000306153536 358921388 /nfs/dbraw/zinc/92/13/88/358921388.db2.gz AXNGOALUMRMMFA-VIFPVBQESA-N 0 0 210.302 2.037 10 30 BEEERN C[C@H](C#N)CNC(=O)c1cccc2ncccc21 ZINC000061415176 358934190 /nfs/dbraw/zinc/93/41/90/358934190.db2.gz GGTZVZPKWTYTDE-SNVBAGLBSA-N 0 0 239.278 2.124 10 30 BEEERN C=CC(=O)c1coc(Br)c1 ZINC000306231663 359381527 /nfs/dbraw/zinc/38/15/27/359381527.db2.gz CCSVBWUQCXZVGQ-UHFFFAOYSA-N 0 0 201.019 2.411 10 30 BEEERN C[C@H](CS)CN1CC(F)(F)C(F)(F)C1 ZINC000306246397 359435246 /nfs/dbraw/zinc/43/52/46/359435246.db2.gz RPHDURQTVAIFHR-LURJTMIESA-N 0 0 231.258 2.139 10 30 BEEERN CO[C@@H](C=O)c1cccc(Cl)c1F ZINC000306249392 359448099 /nfs/dbraw/zinc/44/80/99/359448099.db2.gz WEQDFNFXOQBUOF-QMMMGPOBSA-N 0 0 202.612 2.366 10 30 BEEERN CO[C@H](C=O)c1cccc(F)c1Br ZINC000306250639 359455367 /nfs/dbraw/zinc/45/53/67/359455367.db2.gz YFSFDIYXASSNIA-MRVPVSSYSA-N 0 0 247.063 2.475 10 30 BEEERN C[C@H]1C[C@](C#N)(N(C)C)CN1Cc1ccccc1 ZINC000306254132 359465623 /nfs/dbraw/zinc/46/56/23/359465623.db2.gz UCAAAVBXTDLRPO-DZGCQCFKSA-N 0 0 243.354 2.105 10 30 BEEERN C=C(c1n[nH]c(=S)s1)C(F)(F)F ZINC000306247366 359438850 /nfs/dbraw/zinc/43/88/50/359438850.db2.gz SMSQEOMVLNKRIU-UHFFFAOYSA-N 0 0 212.221 2.402 10 30 BEEERN CN(C(=O)C#CBr)c1ccccc1 ZINC000306370190 359699837 /nfs/dbraw/zinc/69/98/37/359699837.db2.gz KYUZLXYEBJLZOW-UHFFFAOYSA-N 0 0 238.084 2.005 10 30 BEEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)c1ccccn1 ZINC000088169814 359939772 /nfs/dbraw/zinc/93/97/72/359939772.db2.gz HPRZIHAHZARWJJ-GMXVVIOVSA-N 0 0 215.300 2.424 10 30 BEEERN CO[C@@H](C=O)c1c(F)cccc1Br ZINC000306474029 360096967 /nfs/dbraw/zinc/09/69/67/360096967.db2.gz VJDDBCPVHZJMRX-QMMMGPOBSA-N 0 0 247.063 2.475 10 30 BEEERN C[C@@H](CC#N)N(C)C[C@@H]1Cc2ccccc2O1 ZINC000090874884 360091647 /nfs/dbraw/zinc/09/16/47/360091647.db2.gz NIIUARUVBAQQBR-AAEUAGOBSA-N 0 0 230.311 2.224 10 30 BEEERN CC1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000091973406 360139016 /nfs/dbraw/zinc/13/90/16/360139016.db2.gz WJEJUGUMIWCMTR-NWDGAFQWSA-N 0 0 235.331 2.120 10 30 BEEERN C[C@@H]1CSC[C@@]1(C#N)NCc1ccccc1 ZINC000306485954 360162364 /nfs/dbraw/zinc/16/23/64/360162364.db2.gz ODXNXAMMJPOQFQ-DGCLKSJQSA-N 0 0 232.352 2.421 10 30 BEEERN CC1(C(=O)N[C@H]2CCC[C@H]2C#N)CCCC1 ZINC000093695678 360272562 /nfs/dbraw/zinc/27/25/62/360272562.db2.gz VFILGAVAZOLMGX-QWRGUYRKSA-N 0 0 220.316 2.375 10 30 BEEERN CCOC(=O)CCCCCCCC=O ZINC000002026740 360293216 /nfs/dbraw/zinc/29/32/16/360293216.db2.gz RVICDIQCDUVBFK-UHFFFAOYSA-N 0 0 200.278 2.479 10 30 BEEERN C[C@@]1(C=O)CC[C@H](Cc2ccccc2)O1 ZINC000306519833 360344429 /nfs/dbraw/zinc/34/44/29/360344429.db2.gz JIZDPBSACPKUMZ-OLZOCXBDSA-N 0 0 204.269 2.366 10 30 BEEERN CSC1([C@H](O)C2(C#N)CCCC2)CC1 ZINC000306535961 360399671 /nfs/dbraw/zinc/39/96/71/360399671.db2.gz KDKLJFOQAYDLOU-SECBINFHSA-N 0 0 211.330 2.327 10 30 BEEERN CCN(C[C@H](C)C#N)c1ccc(F)cc1CO ZINC000042447623 169889181 /nfs/dbraw/zinc/88/91/81/169889181.db2.gz NVJOCVCVHZEALN-SNVBAGLBSA-N 0 0 236.290 2.304 10 30 BEEERN C=C[C@@H](C)n1cc(Cl)c([N+](=O)[O-])n1 ZINC000069760059 360406527 /nfs/dbraw/zinc/40/65/27/360406527.db2.gz VYUHVWOIYGNEFJ-RXMQYKEDSA-N 0 0 201.613 2.192 10 30 BEEERN C[C@@H]1CCCC[C@@]1(C#N)CC[S@@](C)=O ZINC000306572661 360461125 /nfs/dbraw/zinc/46/11/25/360461125.db2.gz HRIVGHMRMQKNNF-UHIISALHSA-N 0 0 213.346 2.475 10 30 BEEERN C[Si](C)(C)C#Cc1cccc([N+](=O)[O-])n1 ZINC000299890437 219823187 /nfs/dbraw/zinc/82/31/87/219823187.db2.gz ZQIIDXLWEIRDNO-UHFFFAOYSA-N 0 0 220.304 2.219 10 30 BEEERN COC(=O)c1cc(Cl)c(C#N)cc1OC ZINC000238357138 360933378 /nfs/dbraw/zinc/93/33/78/360933378.db2.gz PMUFJKRHVVBYQT-UHFFFAOYSA-N 0 0 225.631 2.007 10 30 BEEERN COC(=O)c1ccc(C#N)c(Cl)c1F ZINC000238381226 360987965 /nfs/dbraw/zinc/98/79/65/360987965.db2.gz SJKCVQXOHURODK-UHFFFAOYSA-N 0 0 213.595 2.137 10 30 BEEERN Cc1nc(CC#N)ccc1OC(F)(F)F ZINC000238519109 361133777 /nfs/dbraw/zinc/13/37/77/361133777.db2.gz JYFTYEZWISXTJW-UHFFFAOYSA-N 0 0 216.162 2.355 10 30 BEEERN N#CCc1cc(O)cc(OC(F)(F)F)c1 ZINC000238684435 361178625 /nfs/dbraw/zinc/17/86/25/361178625.db2.gz ZXGKSIVGZLFAJZ-UHFFFAOYSA-N 0 0 217.146 2.357 10 30 BEEERN N#Cc1ccnc(CF)c1OC(F)(F)F ZINC000238697587 361180409 /nfs/dbraw/zinc/18/04/09/361180409.db2.gz VCBYJIQDVZBFFA-UHFFFAOYSA-N 0 0 220.125 2.321 10 30 BEEERN N#Cc1cc(O)cc(OC(F)(F)F)c1 ZINC000238707315 361364524 /nfs/dbraw/zinc/36/45/24/361364524.db2.gz VZCHPGSWUYFWCK-UHFFFAOYSA-N 0 0 203.119 2.162 10 30 BEEERN NC1=C2C(=CC(=O)C[C@@H]2c2ccccc2)N=N1 ZINC000072416502 181337867 /nfs/dbraw/zinc/33/78/67/181337867.db2.gz UAHCRQSACFQIGQ-SNVBAGLBSA-N 0 0 225.251 2.263 10 30 BEEERN C#CCNC(=S)Nc1ccsc1Cl ZINC000306639790 361593231 /nfs/dbraw/zinc/59/32/31/361593231.db2.gz OKLDNHZOESZXDO-UHFFFAOYSA-N 0 0 230.745 2.321 10 30 BEEERN N#Cc1cccc(OCC[N@@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000435203765 201256068 /nfs/dbraw/zinc/25/60/68/201256068.db2.gz YXPPYCVEYGPXTF-HIFRSBDPSA-N 0 0 242.322 2.421 10 30 BEEERN C[C@H]1Cc2c(C#N)c(N)sc2[C@H](C)O1 ZINC000133436879 361693194 /nfs/dbraw/zinc/69/31/94/361693194.db2.gz CXOINVBFOKKWPK-WDSKDSINSA-N 0 0 208.286 2.224 10 30 BEEERN C[C@@H]1C[C@H](C)Cc2nc(N)c(C#N)cc21 ZINC000082831377 541435357 /nfs/dbraw/zinc/43/53/57/541435357.db2.gz RVELBHTWMMPHKQ-JGVFFNPUSA-N 0 0 201.273 2.221 10 30 BEEERN C=C(C)CN(CC)Cc1ncccc1C(=O)OC ZINC000340276284 365484089 /nfs/dbraw/zinc/48/40/89/365484089.db2.gz FZYIFDWNFKMALG-UHFFFAOYSA-N 0 0 248.326 2.266 10 30 BEEERN N#Cc1cc2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000011956460 541480760 /nfs/dbraw/zinc/48/07/60/541480760.db2.gz WCXMNBNMECZGEG-UHFFFAOYSA-N 0 0 238.168 2.419 10 30 BEEERN N#CCc1c(O)cccc1C(F)(F)F ZINC000215041917 368141276 /nfs/dbraw/zinc/14/12/76/368141276.db2.gz HILBSUMHAGDGPU-UHFFFAOYSA-N 0 0 201.147 2.477 10 30 BEEERN Cc1ccc(C)c(-c2nc[nH]c(=O)c2C#N)c1 ZINC000038417589 368326602 /nfs/dbraw/zinc/32/66/02/368326602.db2.gz NIFNJIPZIPVYRJ-UHFFFAOYSA-N 0 0 225.251 2.338 10 30 BEEERN C=CCNC(=O)N1CCc2ccc(F)cc21 ZINC000060529706 368545339 /nfs/dbraw/zinc/54/53/39/368545339.db2.gz ZHLWRAPVBVRTID-UHFFFAOYSA-N 0 0 220.247 2.084 10 30 BEEERN C#C[C@H](O)Cc1cc2ccccc2s1 ZINC000114339328 368935182 /nfs/dbraw/zinc/93/51/82/368935182.db2.gz XBCJAWGRSLBIAZ-JTQLQIEISA-N 0 0 202.278 2.438 10 30 BEEERN C#C[C@@H](O)Cc1cc2ccccc2s1 ZINC000114339326 368935221 /nfs/dbraw/zinc/93/52/21/368935221.db2.gz XBCJAWGRSLBIAZ-SNVBAGLBSA-N 0 0 202.278 2.438 10 30 BEEERN N#Cc1cccc(COc2ccc(N)c(N)c2)c1 ZINC000616213200 369063275 /nfs/dbraw/zinc/06/32/75/369063275.db2.gz QEGNZUPNEWSQKP-UHFFFAOYSA-N 0 0 239.278 2.302 10 30 BEEERN CCN(CCC#N)c1ccc([N+](=O)[O-])cc1C=O ZINC000042450811 169817012 /nfs/dbraw/zinc/81/70/12/169817012.db2.gz SXXRDRUEMYJWNL-UHFFFAOYSA-N 0 0 247.254 2.147 10 30 BEEERN Cc1cc(C(=O)N[C@H](C#N)C2CC2)sc1C ZINC000108842565 369411648 /nfs/dbraw/zinc/41/16/48/369411648.db2.gz KWIGJPKXBMVGQS-SNVBAGLBSA-N 0 0 234.324 2.397 10 30 BEEERN CC[C@H]1C[C@@H]1Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000230184824 369432070 /nfs/dbraw/zinc/43/20/70/369432070.db2.gz BOGQZNXFDHXPNT-CBAPKCEASA-N 0 0 232.243 2.072 10 30 BEEERN C[C@H](C#N)NC(=O)c1csc(C(F)(F)F)c1 ZINC000259896146 370952704 /nfs/dbraw/zinc/95/27/04/370952704.db2.gz IOKJHUASBBJNPM-RXMQYKEDSA-N 0 0 248.229 2.409 10 30 BEEERN C[C@@H]1C[C@H](O)CCN1c1cccc(F)c1C#N ZINC000601213738 369607373 /nfs/dbraw/zinc/60/73/73/369607373.db2.gz KDTXXUNEGXZMCJ-NXEZZACHSA-N 0 0 234.274 2.047 10 30 BEEERN N#Cc1cn(CC2CC2)nc1-c1ccncc1 ZINC000409436873 369977051 /nfs/dbraw/zinc/97/70/51/369977051.db2.gz BTXMXYCIKKOZHN-UHFFFAOYSA-N 0 0 224.267 2.227 10 30 BEEERN Cc1cc(C)c(C#N)c(N[C@@H]2CCC[C@H](O)C2)n1 ZINC000603865239 369996520 /nfs/dbraw/zinc/99/65/20/369996520.db2.gz GNEOLFQRWPHYDL-NEPJUHHUSA-N 0 0 245.326 2.286 10 30 BEEERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)C(C)(C)O ZINC000111254226 370118234 /nfs/dbraw/zinc/11/82/34/370118234.db2.gz QIBWMODGHTYADN-MRVPVSSYSA-N 0 0 249.270 2.038 10 30 BEEERN C[C@@H](NC(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC000112249665 370264952 /nfs/dbraw/zinc/26/49/52/370264952.db2.gz TVCZSMXCTBUBCN-SECBINFHSA-N 0 0 231.299 2.118 10 30 BEEERN Cc1cc(C#N)c(F)c(Br)n1 ZINC000215335785 370601979 /nfs/dbraw/zinc/60/19/79/370601979.db2.gz QEAYEOBOACPBHG-UHFFFAOYSA-N 0 0 215.025 2.163 10 30 BEEERN N#Cc1nc2cc(F)c([O-])c(F)c2s1 ZINC000114874336 370605557 /nfs/dbraw/zinc/60/55/57/370605557.db2.gz IFPFEXSXBQTQBX-UHFFFAOYSA-N 0 0 212.180 2.152 10 30 BEEERN N#Cc1cc2[nH]cc(Br)c2cn1 ZINC000260836574 371014793 /nfs/dbraw/zinc/01/47/93/371014793.db2.gz XXRMMLOKJYNDFM-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN CC(C)n1nc(-c2ccccn2)cc1C#N ZINC000261061990 371030224 /nfs/dbraw/zinc/03/02/24/371030224.db2.gz SJBATIUHMVJSPP-UHFFFAOYSA-N 0 0 212.256 2.398 10 30 BEEERN Cc1nn(C)c(C)c1CN[C@@H]1CCCC[C@H]1C#N ZINC000092330817 371092677 /nfs/dbraw/zinc/09/26/77/371092677.db2.gz GGQXZONRFRUMPH-GXTWGEPZSA-N 0 0 246.358 2.209 10 30 BEEERN N#Cc1c[nH]c2c1nccc2Br ZINC000095920079 371357565 /nfs/dbraw/zinc/35/75/65/371357565.db2.gz LYXYFXQOBQPQIJ-UHFFFAOYSA-N 0 0 222.045 2.197 10 30 BEEERN C[C@H](C#N)NC(=O)CCc1cccc(Cl)c1 ZINC000125558357 371358936 /nfs/dbraw/zinc/35/89/36/371358936.db2.gz OGXYUIYWHYQHSG-SECBINFHSA-N 0 0 236.702 2.301 10 30 BEEERN Cc1ccn(-c2cc(C#N)cc(Cl)n2)n1 ZINC000215564948 371581760 /nfs/dbraw/zinc/58/17/60/371581760.db2.gz CYQHANNXNSVRDM-UHFFFAOYSA-N 0 0 218.647 2.101 10 30 BEEERN C[C@H](CO)Sc1ccc(F)cc1C#N ZINC000162415619 371674913 /nfs/dbraw/zinc/67/49/13/371674913.db2.gz FWQCLJVFQORJTF-SSDOTTSWSA-N 0 0 211.261 2.170 10 30 BEEERN C[C@@H](CO)Sc1ccc(C#N)cc1F ZINC000162414893 371675084 /nfs/dbraw/zinc/67/50/84/371675084.db2.gz UDDYHKGDPJLKTM-ZETCQYMHSA-N 0 0 211.261 2.170 10 30 BEEERN O=CCc1cccc(F)c1Br ZINC000162339957 371660712 /nfs/dbraw/zinc/66/07/12/371660712.db2.gz ZWVWQXJKOHHZQJ-UHFFFAOYSA-N 0 0 217.037 2.330 10 30 BEEERN N#Cc1cc(F)cc(OCC2CC2)c1N ZINC000131867694 371699590 /nfs/dbraw/zinc/69/95/90/371699590.db2.gz FBPIXYBIGVIHEM-UHFFFAOYSA-N 0 0 206.220 2.068 10 30 BEEERN C#CCNc1cccc(Cl)c1[N+](=O)[O-] ZINC000163134913 371938561 /nfs/dbraw/zinc/93/85/61/371938561.db2.gz BLDKTZPEFPTDFR-UHFFFAOYSA-N 0 0 210.620 2.293 10 30 BEEERN C=C(Br)CN1[C@@H](C)CCC[C@H]1CO ZINC000305201407 371898117 /nfs/dbraw/zinc/89/81/17/371898117.db2.gz FMEJLWTZGGVPQF-UWVGGRQHSA-N 0 0 248.164 2.130 10 30 BEEERN N#C[C@]1(c2cccc(Cl)c2)C[C@@H]1CO ZINC000132779506 371922034 /nfs/dbraw/zinc/92/20/34/371922034.db2.gz KBVXJBGNIHRAAH-KOLCDFICSA-N 0 0 207.660 2.114 10 30 BEEERN CC=C=CC(=O)c1ccc(Br)cn1 ZINC000133032959 371974854 /nfs/dbraw/zinc/97/48/54/371974854.db2.gz ITQIYUQQFWCEHE-UHFFFAOYSA-N 0 0 238.084 2.440 10 30 BEEERN CC[C@@H](C)c1noc(-c2cc(C#N)cn2C)n1 ZINC000230995764 371983657 /nfs/dbraw/zinc/98/36/57/371983657.db2.gz RAXXFSIXCDLVHW-MRVPVSSYSA-N 0 0 230.271 2.460 10 30 BEEERN CC#CC[C@H](O)c1ccc(Br)cn1 ZINC000133083392 371984560 /nfs/dbraw/zinc/98/45/60/371984560.db2.gz CRMZYQCLRUYZBI-JTQLQIEISA-N 0 0 240.100 2.291 10 30 BEEERN C=C(C)C(=O)[C@@H]1SCCS[C@@H]1C ZINC000228079818 371985897 /nfs/dbraw/zinc/98/58/97/371985897.db2.gz NKNQRYNQQOCBFS-VXNVDRBHSA-N 0 0 202.344 2.369 10 30 BEEERN C#CC[C@@H](N)C(=O)c1cc(C)ccc1Cl ZINC000306165895 371995359 /nfs/dbraw/zinc/99/53/59/371995359.db2.gz IOZOTLLNSAELAN-LLVKDONJSA-N 0 0 221.687 2.182 10 30 BEEERN COC(=O)C#Cc1cc(C)ccc1Cl ZINC000306165804 371995506 /nfs/dbraw/zinc/99/55/06/371995506.db2.gz ILIWJINFZPIVHV-UHFFFAOYSA-N 0 0 208.644 2.173 10 30 BEEERN C=C(C(=O)[C@H]1CC[C@@H](C)O1)C(F)(F)F ZINC000306499190 372026624 /nfs/dbraw/zinc/02/66/24/372026624.db2.gz IFFFAESWVSMBRG-IYSWYEEDSA-N 0 0 208.179 2.242 10 30 BEEERN C[C@H](C#N)Oc1c(N)cccc1Br ZINC000133448498 372052444 /nfs/dbraw/zinc/05/24/44/372052444.db2.gz PWDKIWIZNSVFSJ-ZCFIWIBFSA-N 0 0 241.088 2.322 10 30 BEEERN N#C[C@@H](CO)Cc1ccc(Cl)cc1F ZINC000163529158 372007420 /nfs/dbraw/zinc/00/74/20/372007420.db2.gz OXPYPCJVLLTLFB-ZETCQYMHSA-N 0 0 213.639 2.154 10 30 BEEERN CC[C@H](S)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000307243148 372102260 /nfs/dbraw/zinc/10/22/60/372102260.db2.gz JWLKQLHCTLAMTB-GUBZILKMSA-N 0 0 215.362 2.390 10 30 BEEERN C=CCNc1cncc(Br)c1 ZINC000229298676 372137782 /nfs/dbraw/zinc/13/77/82/372137782.db2.gz MKFHXMUZHQFANS-UHFFFAOYSA-N 0 0 213.078 2.442 10 30 BEEERN C=C[C@@H](C)Nc1ncc(N)cc1Br ZINC000229316108 372141268 /nfs/dbraw/zinc/14/12/68/372141268.db2.gz VXKWWBFBTCFTDW-ZCFIWIBFSA-N 0 0 242.120 2.413 10 30 BEEERN C=C[C@H](C)Nc1ncc(N)cc1Br ZINC000229316116 372141384 /nfs/dbraw/zinc/14/13/84/372141384.db2.gz VXKWWBFBTCFTDW-LURJTMIESA-N 0 0 242.120 2.413 10 30 BEEERN CC#CCCNc1nnc(Br)s1 ZINC000229331730 372144039 /nfs/dbraw/zinc/14/40/39/372144039.db2.gz ZDYWYKRAGIUDKU-UHFFFAOYSA-N 0 0 246.133 2.126 10 30 BEEERN C#C[C@@H](C)Nc1cncc(Br)c1 ZINC000229335518 372144446 /nfs/dbraw/zinc/14/44/46/372144446.db2.gz VCKRKPMTKRBIGK-SSDOTTSWSA-N 0 0 225.089 2.278 10 30 BEEERN C=C(C)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000218846223 372159721 /nfs/dbraw/zinc/15/97/21/372159721.db2.gz LBUVGYVEJBYFJT-SNVBAGLBSA-N 0 0 239.315 2.389 10 30 BEEERN CSc1c(N)c(C#N)sc1NCCF ZINC000307571907 372129097 /nfs/dbraw/zinc/12/90/97/372129097.db2.gz DKLYSWOICCJSGZ-UHFFFAOYSA-N 0 0 231.321 2.305 10 30 BEEERN N#Cc1ccnc(Br)c1Cl ZINC000218594462 372130095 /nfs/dbraw/zinc/13/00/95/372130095.db2.gz GVUVKWUZXMTPMU-UHFFFAOYSA-N 0 0 217.453 2.369 10 30 BEEERN O=C1C=CO[C@@H](c2ccc([N+](=O)[O-])s2)C1 ZINC000141139638 372877003 /nfs/dbraw/zinc/87/70/03/372877003.db2.gz PCTVWZBJWRLJLY-SSDOTTSWSA-N 0 0 225.225 2.201 10 30 BEEERN N#Cc1cnc2oc3ccccc3c(=O)c2c1 ZINC000039268935 372922983 /nfs/dbraw/zinc/92/29/83/372922983.db2.gz QHAKWUSBZDUCFE-UHFFFAOYSA-N 0 0 222.203 2.213 10 30 BEEERN Cc1cc(C)c(C#N)c(N(C)C2CCOCC2)n1 ZINC000040508985 373354620 /nfs/dbraw/zinc/35/46/20/373354620.db2.gz IJNWHFQPDXDOGX-UHFFFAOYSA-N 0 0 245.326 2.185 10 30 BEEERN C=CCCC[C@H](C)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000182580751 205676090 /nfs/dbraw/zinc/67/60/90/205676090.db2.gz SLNNRLRHQNDZAZ-SRVKXCTJSA-N 0 0 225.332 2.415 10 30 BEEERN C=C[C@H](C)n1cc(I)cn1 ZINC000070679604 374175449 /nfs/dbraw/zinc/17/54/49/374175449.db2.gz ZDEAZXBSGYSXTO-LURJTMIESA-N 0 0 248.067 2.235 10 30 BEEERN C#CCN(C)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000191099355 259571515 /nfs/dbraw/zinc/57/15/15/259571515.db2.gz OZBMKFPXVQWGCY-STQMWFEESA-N 0 0 219.328 2.294 10 30 BEEERN O=C(c1ccccc1)N(O)[C@H]1CCCC/C1=N/O ZINC000103558399 182675744 /nfs/dbraw/zinc/67/57/44/182675744.db2.gz ZYMSOZIFOGODMD-PBBNAPBQSA-N 0 0 248.282 2.291 10 30 BEEERN SCc1nc(Br)cs1 ZINC000015442514 183315942 /nfs/dbraw/zinc/31/59/42/183315942.db2.gz XICWNNPMWNXACV-UHFFFAOYSA-N 0 0 210.121 2.335 10 30 BEEERN CCCN[C@H](C#N)c1ccc(N(C)C)cc1 ZINC000020174582 169284247 /nfs/dbraw/zinc/28/42/47/169284247.db2.gz RPSCYLQSLNLSFY-CYBMUJFWSA-N 0 0 217.316 2.317 10 30 BEEERN CCCN[C@H](C#N)c1ccc2c(c1)CCN2C ZINC000050287419 169284589 /nfs/dbraw/zinc/28/45/89/169284589.db2.gz HOCMPRMJTJNXEJ-CYBMUJFWSA-N 0 0 229.327 2.243 10 30 BEEERN CCCOCCOc1nc2c(cc1C#N)CCC2 ZINC000104234995 169310220 /nfs/dbraw/zinc/31/02/20/169310220.db2.gz AUPJFZCUBUPISJ-UHFFFAOYSA-N 0 0 246.310 2.247 10 30 BEEERN CCC[C@@H](C#N)C(=O)NCc1ccccc1 ZINC000034079281 169342674 /nfs/dbraw/zinc/34/26/74/169342674.db2.gz ONKJVNVDCMXMTB-LBPRGKRZSA-N 0 0 216.284 2.243 10 30 BEEERN CCCOc1ccc([C@H](C#N)NC)cc1 ZINC000020176376 169321949 /nfs/dbraw/zinc/32/19/49/169321949.db2.gz IZUNRWGVTKPZMJ-LBPRGKRZSA-N 0 0 204.273 2.259 10 30 BEEERN CCC[C@H](O)C#Cc1ccccc1OC ZINC000095938888 169514650 /nfs/dbraw/zinc/51/46/50/169514650.db2.gz DZCMHFQWBKKIIK-LBPRGKRZSA-N 0 0 204.269 2.208 10 30 BEEERN Cn1cncc1CNc1ccc(F)cc1C#N ZINC000126259286 383847883 /nfs/dbraw/zinc/84/78/83/383847883.db2.gz JADGVFLEKFTMOC-UHFFFAOYSA-N 0 0 230.246 2.043 10 30 BEEERN CC[C@H](CCO)CNc1cc(C)nc(C)c1C#N ZINC000127356527 383878304 /nfs/dbraw/zinc/87/83/04/383878304.db2.gz VMFOJSQOCBYLAE-GFCCVEGCSA-N 0 0 247.342 2.391 10 30 BEEERN N#CCc1cnc2ccc(C(F)(F)F)cn12 ZINC000036291681 383894091 /nfs/dbraw/zinc/89/40/91/383894091.db2.gz QIIJITOKHNPMPQ-UHFFFAOYSA-N 0 0 225.173 2.419 10 30 BEEERN C=CC[C@H](C)NC(=O)N[C@H]1COc2ccccc21 ZINC000116951539 383945688 /nfs/dbraw/zinc/94/56/88/383945688.db2.gz HRXHZFTUPROGSQ-JQWIXIFHSA-N 0 0 246.310 2.384 10 30 BEEERN Cc1ccccc1CC(=O)NC1(C#N)CCCC1 ZINC000040216355 384129698 /nfs/dbraw/zinc/12/96/98/384129698.db2.gz ORKLKBQYKLYIHV-UHFFFAOYSA-N 0 0 242.322 2.490 10 30 BEEERN CN(C[C@@H]1CCCCO1)[C@@H]1CCC[C@@H]1C#N ZINC000042464131 384151059 /nfs/dbraw/zinc/15/10/59/384151059.db2.gz JJMVIPKPQRSPAP-FRRDWIJNSA-N 0 0 222.332 2.180 10 30 BEEERN CC[C@@H](C)CSc1cnc(C#N)cn1 ZINC000126887801 384203899 /nfs/dbraw/zinc/20/38/99/384203899.db2.gz APPHSUDRJRHAPB-MRVPVSSYSA-N 0 0 207.302 2.486 10 30 BEEERN CC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000234132043 384230204 /nfs/dbraw/zinc/23/02/04/384230204.db2.gz FWCIGMVIHHIEQU-JGVFFNPUSA-N 0 0 232.243 2.072 10 30 BEEERN C=C1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]2C(=C)CC[C@@H]1O ZINC000014452050 384239171 /nfs/dbraw/zinc/23/91/71/384239171.db2.gz FKBUODICGDOIGB-NLRWUALESA-N 0 0 248.322 2.211 10 30 biogenic BEEERN C[C@@H]1OCC[C@H]1Nc1ccc(F)cc1C#N ZINC000134402656 384259427 /nfs/dbraw/zinc/25/94/27/384259427.db2.gz FXWQSVKPFITMBW-GZMMTYOYSA-N 0 0 220.247 2.287 10 30 BEEERN CC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000234140459 384264689 /nfs/dbraw/zinc/26/46/89/384264689.db2.gz FWCIGMVIHHIEQU-YUMQZZPRSA-N 0 0 232.243 2.072 10 30 BEEERN CCC1(C#N)CN(Cc2ccccc2)C1 ZINC000097757736 384278131 /nfs/dbraw/zinc/27/81/31/384278131.db2.gz MXHKYOHRTXSREU-UHFFFAOYSA-N 0 0 200.285 2.422 10 30 BEEERN C/C(=N/NC(N)=S)c1ccc(CC(C)C)cc1 ZINC000012368712 384313659 /nfs/dbraw/zinc/31/36/59/384313659.db2.gz RFYYONHGWYGIPG-GDNBJRDFSA-N 0 0 249.383 2.442 10 30 BEEERN Cc1cc(NCC2(CCO)CC2)c(C#N)c(C)n1 ZINC000157235752 384285310 /nfs/dbraw/zinc/28/53/10/384285310.db2.gz YNKZMJYVXIYJJB-UHFFFAOYSA-N 0 0 245.326 2.145 10 30 BEEERN CN(Cc1cscn1)Cc1ccc(C#N)o1 ZINC000120222760 384339889 /nfs/dbraw/zinc/33/98/89/384339889.db2.gz OZVMFUJTEIOCMK-UHFFFAOYSA-N 0 0 233.296 2.240 10 30 BEEERN C[C@@H]1OCC[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235348738 384348208 /nfs/dbraw/zinc/34/82/08/384348208.db2.gz UQJXSILASPSPAL-NTSWFWBYSA-N 0 0 243.719 2.257 10 30 BEEERN C#CCOc1ccccc1NC(=O)N[C@H]1C[C@H]1C ZINC000188066224 384359540 /nfs/dbraw/zinc/35/95/40/384359540.db2.gz FTWWOHAYBHEOSU-PWSUYJOCSA-N 0 0 244.294 2.229 10 30 BEEERN CC(C)(C)OC(=O)N1CCC[C@@]2(CO2)CC1 ZINC000117662749 384366358 /nfs/dbraw/zinc/36/63/58/384366358.db2.gz FSFSGVISPUOWAO-LBPRGKRZSA-N 0 0 227.304 2.176 10 30 BEEERN Cc1nc(N)sc1/C(=N/O)c1ccccc1 ZINC000095863266 384403417 /nfs/dbraw/zinc/40/34/17/384403417.db2.gz CLUORPRBQKIGOM-NTEUORMPSA-N 0 0 233.296 2.260 10 30 BEEERN CCO[C@@H]1OC2=C(C(=O)C[C@@H](C)C2)[C@@H]1C ZINC000095932526 384410450 /nfs/dbraw/zinc/41/04/50/384410450.db2.gz LYFNTKRVFODIME-RGNHYFCHSA-N 0 0 210.273 2.268 10 30 BEEERN CC(=O)/C=C/C1=C(C)[C@@H]2CC[C@@H](C)[C@H]2[C@@H](O)O1 ZINC000015266087 384426786 /nfs/dbraw/zinc/42/67/86/384426786.db2.gz SSFLZIBVARYADM-SHFOYJSVSA-N 0 0 236.311 2.417 10 30 BEEERN COc1cc(CC#N)cc(O)c1OC(F)F ZINC000575663440 384424528 /nfs/dbraw/zinc/42/45/28/384424528.db2.gz ZXTWYASFCUBSFY-UHFFFAOYSA-N 0 0 229.182 2.068 10 30 BEEERN CC(=O)Nc1ccc2sc(C#N)nc2c1 ZINC000045235876 384382499 /nfs/dbraw/zinc/38/24/99/384382499.db2.gz QLKITAZQRNPYTP-UHFFFAOYSA-N 0 0 217.253 2.126 10 30 BEEERN Cc1cc(C#N)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575669097 384452363 /nfs/dbraw/zinc/45/23/63/384452363.db2.gz YJAGDXZCOOIXAW-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN CCOc1cc(F)cc(C#N)c1[N+](=O)[O-] ZINC000575671040 384463696 /nfs/dbraw/zinc/46/36/96/384463696.db2.gz SHFIYHDSIOBBAN-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN CCOc1cc([N+](=O)[O-])c(C#N)cc1F ZINC000575670568 384458611 /nfs/dbraw/zinc/45/86/11/384458611.db2.gz MGTVMWMLICFIBZ-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN COc1cc(/C=C/C(C)=O)cc(OC)c1O ZINC000014817804 384500246 /nfs/dbraw/zinc/50/02/46/384500246.db2.gz OOFWCWCUKUVTKD-SNAWJCMRSA-N 0 0 222.240 2.012 10 30 BEEERN CC(=O)c1cc(C(=O)C=CN(C)C)c(C)nc1C ZINC000049474024 384536059 /nfs/dbraw/zinc/53/60/59/384536059.db2.gz HVZYFIODCSJJCY-VOTSOKGWSA-N 0 0 246.310 2.159 10 30 BEEERN N#Cc1cnc(NCCC2=CCCC2)cn1 ZINC000128232365 384543809 /nfs/dbraw/zinc/54/38/09/384543809.db2.gz CUWQZNWUXHCGCF-UHFFFAOYSA-N 0 0 214.272 2.261 10 30 BEEERN Fc1c(F)c(F)c(C[C@@H]2CO2)c(F)c1F ZINC000080440557 384557388 /nfs/dbraw/zinc/55/73/88/384557388.db2.gz XHYZQFHWNNSAMZ-GSVOUGTGSA-N 0 0 224.128 2.323 10 30 BEEERN N#Cc1ccccc1[C@@]1(O)CCCSC1 ZINC000261350100 384621673 /nfs/dbraw/zinc/62/16/73/384621673.db2.gz LIIBSPYSDJEZPQ-GFCCVEGCSA-N 0 0 219.309 2.273 10 30 BEEERN N#Cc1ccccc1C1(O)CCSCC1 ZINC000261351528 384623061 /nfs/dbraw/zinc/62/30/61/384623061.db2.gz NFFSTTWLABHBKF-UHFFFAOYSA-N 0 0 219.309 2.273 10 30 BEEERN N#Cc1ccccc1[C@]1(O)CCCSC1 ZINC000261350101 384623434 /nfs/dbraw/zinc/62/34/34/384623434.db2.gz LIIBSPYSDJEZPQ-LBPRGKRZSA-N 0 0 219.309 2.273 10 30 BEEERN C[C@@H]1CSC[C@@]1(O)c1ccccc1C#N ZINC000521401036 384628239 /nfs/dbraw/zinc/62/82/39/384628239.db2.gz FAHGZSSLVMXUKO-SKDRFNHKSA-N 0 0 219.309 2.129 10 30 BEEERN O=C1C=C(CCc2ccccc2)OCC1 ZINC000098178176 384598820 /nfs/dbraw/zinc/59/88/20/384598820.db2.gz SNYRMLHYMVXMQN-UHFFFAOYSA-N 0 0 202.253 2.493 10 30 BEEERN CCN(CC#N)C(=O)CCc1ccc(C)cc1 ZINC000050164699 384600788 /nfs/dbraw/zinc/60/07/88/384600788.db2.gz SJNLIFNXGAIRNQ-UHFFFAOYSA-N 0 0 230.311 2.300 10 30 BEEERN COc1cc(O)cc(CC#N)c1Br ZINC000575692719 384649047 /nfs/dbraw/zinc/64/90/47/384649047.db2.gz LBYHUOBIWDKHFM-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN C[N@H+](Cc1ccccc1)CC(C)(C)C=O ZINC000051175728 384657835 /nfs/dbraw/zinc/65/78/35/384657835.db2.gz MIXVFNSHXRSKAF-UHFFFAOYSA-N 0 0 205.301 2.344 10 30 BEEERN CCOc1cc(F)c([N+](=O)[O-])c(CC#N)c1 ZINC000575697944 384685524 /nfs/dbraw/zinc/68/55/24/384685524.db2.gz TVNGOWZYUOYDQE-UHFFFAOYSA-N 0 0 224.191 2.199 10 30 BEEERN CCOc1cc(OC)c(C)cc1CC#N ZINC000575698558 384710777 /nfs/dbraw/zinc/71/07/77/384710777.db2.gz XNGYCVNTXKAYCE-UHFFFAOYSA-N 0 0 205.257 2.468 10 30 BEEERN C[C@@H]1C[C@@H]1Nc1nc2c(cc1C#N)CCC2 ZINC000052290798 384729501 /nfs/dbraw/zinc/72/95/01/384729501.db2.gz UTJFNPYYYBHBDM-PELKAZGASA-N 0 0 213.284 2.262 10 30 BEEERN CCOc1cc(C)cc(CC#N)c1[N+](=O)[O-] ZINC000575700011 384736650 /nfs/dbraw/zinc/73/66/50/384736650.db2.gz ZJALLEVUYVFCFW-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN CN(CC#N)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000101514954 384781642 /nfs/dbraw/zinc/78/16/42/384781642.db2.gz HYKWLNDRGQNURI-OAHLLOKOSA-N 0 0 242.322 2.263 10 30 BEEERN N#CCc1ccc(OC(F)(F)F)c(F)c1O ZINC000575704295 384781812 /nfs/dbraw/zinc/78/18/12/384781812.db2.gz OMKNGSQHWVXLRM-UHFFFAOYSA-N 0 0 235.136 2.496 10 30 BEEERN N#CCc1cc(OC(F)(F)F)cc(F)c1CO ZINC000575705583 384793188 /nfs/dbraw/zinc/79/31/88/384793188.db2.gz KQDDVDQQLMZBEZ-UHFFFAOYSA-N 0 0 249.163 2.283 10 30 BEEERN CCOc1cc(N)c(CC#N)c(OC(F)F)c1 ZINC000575716100 384876869 /nfs/dbraw/zinc/87/68/69/384876869.db2.gz JNHZITWZSXYWSQ-UHFFFAOYSA-N 0 0 242.225 2.335 10 30 BEEERN N#CCc1c([N+](=O)[O-])cc(N)cc1C(F)(F)F ZINC000575720185 384894434 /nfs/dbraw/zinc/89/44/34/384894434.db2.gz SDLNOZUSXUSFNY-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN CCOc1cc2c(cc1/C=N/O)O[C@H](C)C2 ZINC000057324191 384940220 /nfs/dbraw/zinc/94/02/20/384940220.db2.gz IVJSJHXRGCWOBV-OREIZAMCSA-N 0 0 221.256 2.217 10 30 BEEERN C=CC[C@H](CO)Nc1c(C)cccc1[N+](=O)[O-] ZINC000302157711 384974293 /nfs/dbraw/zinc/97/42/93/384974293.db2.gz WXMSMFAPZGNCRB-SNVBAGLBSA-N 0 0 236.271 2.252 10 30 BEEERN C[C@H](C#N)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302787579 385019508 /nfs/dbraw/zinc/01/95/08/385019508.db2.gz AWUSJEDVEBXLIP-SSDOTTSWSA-N 0 0 223.207 2.305 10 30 BEEERN COC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000113293792 385131303 /nfs/dbraw/zinc/13/13/03/385131303.db2.gz VGKCPHYFIBFXMN-UHFFFAOYSA-N 0 0 201.225 2.028 10 30 BEEERN C=CCN(CCO)c1cc(C(F)(F)F)ccn1 ZINC000157707187 385256305 /nfs/dbraw/zinc/25/63/05/385256305.db2.gz PMIBZNLGYFNFQC-UHFFFAOYSA-N 0 0 246.232 2.085 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1Nc1ncncc1Cl ZINC000308867889 385224287 /nfs/dbraw/zinc/22/42/87/385224287.db2.gz GZEKMHZHJGZRNO-CBAPKCEASA-N 0 0 222.679 2.234 10 30 BEEERN N#C[C@H]1CCC[C@H]1Nc1ncncc1Cl ZINC000308867891 385224809 /nfs/dbraw/zinc/22/48/09/385224809.db2.gz GZEKMHZHJGZRNO-VXNVDRBHSA-N 0 0 222.679 2.234 10 30 BEEERN C[C@@H]1CC[C@H](C(=O)N(C)c2ccc(C#N)cc2)O1 ZINC000158195132 385251762 /nfs/dbraw/zinc/25/17/62/385251762.db2.gz AIZPSBHYFQRIFR-ZWNOBZJWSA-N 0 0 244.294 2.089 10 30 BEEERN CSCC(C)(C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000407967289 385202727 /nfs/dbraw/zinc/20/27/27/385202727.db2.gz PQXSWXVSRRFAAK-UWVGGRQHSA-N 0 0 240.372 2.184 10 30 BEEERN Cc1cc(C)nc(C#Cc2ccccc2)n1 ZINC000059200552 385318743 /nfs/dbraw/zinc/31/87/43/385318743.db2.gz GJBSSFHMFGUBAD-UHFFFAOYSA-N 0 0 208.264 2.493 10 30 BEEERN CN(c1ccc(C#N)cc1)C1CCC(O)CC1 ZINC000097912421 385264183 /nfs/dbraw/zinc/26/41/83/385264183.db2.gz UCCSSGYRTOZWHY-UHFFFAOYSA-N 0 0 230.311 2.298 10 30 BEEERN COC(=O)c1cc(OC)c(C#N)cc1Cl ZINC000167062577 385295548 /nfs/dbraw/zinc/29/55/48/385295548.db2.gz KFUOVBLSDLQJMD-UHFFFAOYSA-N 0 0 225.631 2.007 10 30 BEEERN CCn1nc(C)c(CN[C@H]2CCC[C@H]2C#N)c1C ZINC000307970604 385368792 /nfs/dbraw/zinc/36/87/92/385368792.db2.gz HCYJAFJQKLMPOH-JSGCOSHPSA-N 0 0 246.358 2.302 10 30 BEEERN N#Cc1c(N)scc1-c1ccccn1 ZINC000259921590 385602555 /nfs/dbraw/zinc/60/25/55/385602555.db2.gz RFYZFVNLHLAIND-UHFFFAOYSA-N 0 0 201.254 2.264 10 30 BEEERN CC[C@H]1COC(c2ccccc2C#N)=N1 ZINC000584623390 385624180 /nfs/dbraw/zinc/62/41/80/385624180.db2.gz LUCRBSMPNFQRKK-JTQLQIEISA-N 0 0 200.241 2.114 10 30 BEEERN N#Cc1cnc(N2CC[C@@H]3CCCC[C@H]32)cn1 ZINC000227977547 385676883 /nfs/dbraw/zinc/67/68/83/385676883.db2.gz PUQQHTIDADTODI-CMPLNLGQSA-N 0 0 228.299 2.117 10 30 BEEERN COC(=O)c1cc(C(F)(F)F)ccc1C#N ZINC000260121660 385688452 /nfs/dbraw/zinc/68/84/52/385688452.db2.gz IOJZDJQLGXWWMM-UHFFFAOYSA-N 0 0 229.157 2.364 10 30 BEEERN Cc1ccc(CN[C@H]2CCC[C@H]2C#N)o1 ZINC000054829798 385666514 /nfs/dbraw/zinc/66/65/14/385666514.db2.gz HZMNCQWJJZXZOV-JQWIXIFHSA-N 0 0 204.273 2.370 10 30 BEEERN CNc1c(C)cc([N+](=O)[O-])cc1Br ZINC000306967599 385728764 /nfs/dbraw/zinc/72/87/64/385728764.db2.gz GTDQOGFCDOSBLK-YGSNDTLISA-N 0 0 245.076 2.146 10 30 BEEERN Cc1sc(N)c(C#N)c1[C@@H]1CCOC1 ZINC000306964019 385731424 /nfs/dbraw/zinc/73/14/24/385731424.db2.gz IMNXVDGGGCVKEJ-SSDOTTSWSA-N 0 0 208.286 2.014 10 30 BEEERN COC(=O)c1c(C#N)cccc1C(F)(F)F ZINC000260200863 385750182 /nfs/dbraw/zinc/75/01/82/385750182.db2.gz NGHONYBVGIOWOY-UHFFFAOYSA-N 0 0 229.157 2.364 10 30 BEEERN COc1c(Br)ccc(O)c1CC#N ZINC000260989694 386000611 /nfs/dbraw/zinc/00/06/11/386000611.db2.gz YTFFAPPVXSHWBE-UHFFFAOYSA-N 0 0 242.072 2.229 10 30 BEEERN C[C@H]1CCC[C@@H]1C(=O)N1CCC(C#N)CC1 ZINC000230170977 134486125 /nfs/dbraw/zinc/48/61/25/134486125.db2.gz MZRRKMJYXDQGBK-JQWIXIFHSA-N 0 0 220.316 2.185 10 30 BEEERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(C#N)o1 ZINC000309342565 386145026 /nfs/dbraw/zinc/14/50/26/386145026.db2.gz LLTUQQGUVOIUKV-WPRPVWTQSA-N 0 0 218.256 2.070 10 30 BEEERN O=C(CS)Nc1cccc(F)c1Cl ZINC000575577076 386193242 /nfs/dbraw/zinc/19/32/42/386193242.db2.gz DTTNGPKDRIBLGX-UHFFFAOYSA-N 0 0 219.668 2.347 10 30 BEEERN CN[C@@](C)(C#N)c1ccccc1Br ZINC000040176504 386270465 /nfs/dbraw/zinc/27/04/65/386270465.db2.gz MFJJTEZPMUOMIN-JTQLQIEISA-N 0 0 239.116 2.407 10 30 BEEERN C#CCN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000191119713 386377618 /nfs/dbraw/zinc/37/76/18/386377618.db2.gz ZJGVUBGPBRYCBX-GHMZBOCLSA-N 0 0 249.260 2.160 10 30 BEEERN C=CCc1c(C)nc(NC2CCCC2)[nH]c1=O ZINC000058824178 386338838 /nfs/dbraw/zinc/33/88/38/386338838.db2.gz IXGINSBJQOPJLZ-UHFFFAOYSA-N 0 0 233.315 2.161 10 30 BEEERN CCc1ncc(NC(=O)N2C[C@H]3CCC[C@H]32)cn1 ZINC000328606464 386600341 /nfs/dbraw/zinc/60/03/41/386600341.db2.gz KLIJFVKKRBWPNN-MWLCHTKSSA-N 0 0 246.314 2.069 10 30 BEEERN CCc1ncc(NC(=O)N2C[C@@H]3CCC[C@H]32)cn1 ZINC000328606462 386600469 /nfs/dbraw/zinc/60/04/69/386600469.db2.gz KLIJFVKKRBWPNN-GXSJLCMTSA-N 0 0 246.314 2.069 10 30 BEEERN CCc1ncc(NC(=O)N2C[C@@H]3CCC[C@@H]32)cn1 ZINC000328606465 386600932 /nfs/dbraw/zinc/60/09/32/386600932.db2.gz KLIJFVKKRBWPNN-ONGXEEELSA-N 0 0 246.314 2.069 10 30 BEEERN CC(C)c1csc(NC(=O)CC#N)n1 ZINC000049237357 386603633 /nfs/dbraw/zinc/60/36/33/386603633.db2.gz LPVAJGDNMASRPP-UHFFFAOYSA-N 0 0 209.274 2.119 10 30 BEEERN CSC(C)(C)C(=O)C1=CCCCO1 ZINC000306680992 386662745 /nfs/dbraw/zinc/66/27/45/386662745.db2.gz MQZAJWIYCJWUOA-UHFFFAOYSA-N 0 0 200.303 2.391 10 30 BEEERN COC(=O)c1cccc(C#N)c1OC(F)(F)F ZINC000575345150 386709667 /nfs/dbraw/zinc/70/96/67/386709667.db2.gz YNWWOKVWWMVJJI-UHFFFAOYSA-N 0 0 245.156 2.243 10 30 BEEERN CCOC(=O)Cc1cc(C#N)c(CC)cc1F ZINC000575344426 386691007 /nfs/dbraw/zinc/69/10/07/386691007.db2.gz CUZHLGZNHCXKBC-UHFFFAOYSA-N 0 0 235.258 2.365 10 30 BEEERN COC(=O)c1cc(C#N)cc(C(F)F)c1OC ZINC000575343596 386691415 /nfs/dbraw/zinc/69/14/15/386691415.db2.gz NKATTWLPZHMPQS-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)c1cc(OC)cc(C(F)F)c1C#N ZINC000575343632 386691492 /nfs/dbraw/zinc/69/14/92/386691492.db2.gz UAZPFWQBIMTIGI-UHFFFAOYSA-N 0 0 241.193 2.291 10 30 BEEERN COC(=O)Cc1ccc(C#N)c(C(F)(F)F)c1 ZINC000575345365 386711816 /nfs/dbraw/zinc/71/18/16/386711816.db2.gz XCBFTPNIMSDLQA-UHFFFAOYSA-N 0 0 243.184 2.293 10 30 BEEERN COC(=O)c1ccc(OC(F)(F)F)cc1C#N ZINC000575345098 386712155 /nfs/dbraw/zinc/71/21/55/386712155.db2.gz XEVZGWIRBBSAED-UHFFFAOYSA-N 0 0 245.156 2.243 10 30 BEEERN CC(=O)OC(C)(C)C(=O)c1ccc(C#N)c(F)c1 ZINC000575361747 386763665 /nfs/dbraw/zinc/76/36/65/386763665.db2.gz CKAAYZZGRYNAOY-UHFFFAOYSA-N 0 0 249.241 2.222 10 30 BEEERN CCOC(=O)c1cc(O)c(C#N)cc1C(F)F ZINC000575387720 386946670 /nfs/dbraw/zinc/94/66/70/386946670.db2.gz MHNPFXOJNWWJIY-UHFFFAOYSA-N 0 0 241.193 2.378 10 30 BEEERN COC(=O)c1ccc(F)c(C#N)c1OC(F)F ZINC000575385743 386946681 /nfs/dbraw/zinc/94/66/81/386946681.db2.gz ICNBZEJDXJZGBA-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)c1cc(OC(F)F)cc(F)c1C#N ZINC000575385704 386948149 /nfs/dbraw/zinc/94/81/49/386948149.db2.gz FQQWPQJOSBIIOV-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN COC(=O)c1cc(C#N)c(C(F)F)cc1C=O ZINC000575389751 386929623 /nfs/dbraw/zinc/92/96/23/386929623.db2.gz OZPRQWTUJYNCEW-UHFFFAOYSA-N 0 0 239.177 2.095 10 30 BEEERN COC(=O)c1ccc(OC(F)F)c(F)c1C#N ZINC000575385736 386947984 /nfs/dbraw/zinc/94/79/84/386947984.db2.gz HPVVSFOEOFDWEN-UHFFFAOYSA-N 0 0 245.156 2.085 10 30 BEEERN CCOC(=O)c1cc([N+](=O)[O-])cc(C#N)c1CC ZINC000575388999 386952720 /nfs/dbraw/zinc/95/27/20/386952720.db2.gz PRNVXQQWCYCGLO-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOC(=O)c1ccc(CC)c([N+](=O)[O-])c1C#N ZINC000575388897 386953006 /nfs/dbraw/zinc/95/30/06/386953006.db2.gz IYDDFFRMXJMNFV-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOC(=O)c1ccc(C#N)c([N+](=O)[O-])c1CC ZINC000575388923 386953368 /nfs/dbraw/zinc/95/33/68/386953368.db2.gz LKIKVTQGZRENBN-UHFFFAOYSA-N 0 0 248.238 2.206 10 30 BEEERN CCOC(=O)c1ccc(C#N)c(OC)c1CC ZINC000575388029 386958039 /nfs/dbraw/zinc/95/80/39/386958039.db2.gz MWXSZJXEJBXVFG-UHFFFAOYSA-N 0 0 233.267 2.306 10 30 BEEERN CCOC(=O)c1cc(C(F)F)cc(C#N)c1O ZINC000575388063 386958202 /nfs/dbraw/zinc/95/82/02/386958202.db2.gz UDOVPQLIUSPDNS-UHFFFAOYSA-N 0 0 241.193 2.378 10 30 BEEERN SCCc1ccc(Br)cn1 ZINC000575574993 386975742 /nfs/dbraw/zinc/97/57/42/386975742.db2.gz NUIHYNLYVDAVMK-UHFFFAOYSA-N 0 0 218.119 2.316 10 30 BEEERN Cc1cc(N[C@H]2CCC[C@H]2C#N)nc(C)n1 ZINC000393762794 386983103 /nfs/dbraw/zinc/98/31/03/386983103.db2.gz NGUJZEYZGSBGED-QWRGUYRKSA-N 0 0 216.288 2.198 10 30 BEEERN COC(=O)c1cc(C)c(C#N)c(OC(F)F)c1 ZINC000575388461 386950888 /nfs/dbraw/zinc/95/08/88/386950888.db2.gz JLNUESDVOCWPQO-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN COC(=O)c1c(C)cc(OC(F)F)cc1C#N ZINC000575388637 386951440 /nfs/dbraw/zinc/95/14/40/386951440.db2.gz OZZOGOJLZKCKBG-UHFFFAOYSA-N 0 0 241.193 2.255 10 30 BEEERN CCOc1cc(O)c(OC(F)F)c(C#N)c1 ZINC000575655411 387039551 /nfs/dbraw/zinc/03/95/51/387039551.db2.gz DZULBOWZEYGSLH-UHFFFAOYSA-N 0 0 229.182 2.264 10 30 BEEERN CCOc1cc(C#N)c(O)c(OC(F)F)c1 ZINC000575655689 387039648 /nfs/dbraw/zinc/03/96/48/387039648.db2.gz HAVPFQVGRRHTDY-UHFFFAOYSA-N 0 0 229.182 2.264 10 30 BEEERN CCOc1c(O)c(C#N)ccc1OC(F)F ZINC000575657862 387044144 /nfs/dbraw/zinc/04/41/44/387044144.db2.gz WQZPRNGVECSCPJ-UHFFFAOYSA-N 0 0 229.182 2.264 10 30 BEEERN N#CCc1cc(O)c(OC(F)F)c(F)c1 ZINC000575659860 387052358 /nfs/dbraw/zinc/05/23/58/387052358.db2.gz SIAILEZOOHZFCD-UHFFFAOYSA-N 0 0 217.146 2.199 10 30 BEEERN COc1cc(CC#N)c(OC(F)F)cc1C=O ZINC000575660993 387052861 /nfs/dbraw/zinc/05/28/61/387052861.db2.gz CYBOJUAJWWZXAF-UHFFFAOYSA-N 0 0 241.193 2.175 10 30 BEEERN C[C@H](CC#N)C(=O)Nc1cccc(F)c1 ZINC000049813342 387062151 /nfs/dbraw/zinc/06/21/51/387062151.db2.gz DMQRPDKBBCZNCW-MRVPVSSYSA-N 0 0 206.220 2.314 10 30 BEEERN COc1cc(OC(F)F)c(CC#N)cc1C=O ZINC000575661500 387109091 /nfs/dbraw/zinc/10/90/91/387109091.db2.gz LRDVABHYEFDKPG-UHFFFAOYSA-N 0 0 241.193 2.175 10 30 BEEERN COc1cc(CC#N)c(C=O)cc1OC(F)F ZINC000575661791 387114406 /nfs/dbraw/zinc/11/44/06/387114406.db2.gz QIJGXEWZGRMMHI-UHFFFAOYSA-N 0 0 241.193 2.175 10 30 BEEERN C#C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000186019525 387067627 /nfs/dbraw/zinc/06/76/27/387067627.db2.gz COFYXUZKYCEBCJ-GHMZBOCLSA-N 0 0 232.283 2.148 10 30 BEEERN C=C(C)C(=O)Nc1cccc2[nH]cnc21 ZINC000089195196 387150084 /nfs/dbraw/zinc/15/00/84/387150084.db2.gz AKSZTBLROYUYLN-UHFFFAOYSA-N 0 0 201.229 2.078 10 30 BEEERN CC(F)(F)CNC1=NC(C)(C)CS1 ZINC000575478953 387164095 /nfs/dbraw/zinc/16/40/95/387164095.db2.gz DJNDUQRXCNEKNJ-UHFFFAOYSA-N 0 0 208.277 2.113 10 30 BEEERN CC[C@]1(C#N)COc2cc(F)c(F)cc2O1 ZINC000536952522 387165953 /nfs/dbraw/zinc/16/59/53/387165953.db2.gz CSBFDRBFWQCSGN-NSHDSACASA-N 0 0 225.194 2.408 10 30 BEEERN C=CCCCN(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000187831858 387214695 /nfs/dbraw/zinc/21/46/95/387214695.db2.gz NKKPVDKKWBNJQI-NWDGAFQWSA-N 0 0 225.332 2.226 10 30 BEEERN C[C@@H]1SCC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495841 387311366 /nfs/dbraw/zinc/31/13/66/387311366.db2.gz CNFIHQRHBSTLBW-KWQFWETISA-N 0 0 242.344 2.299 10 30 BEEERN Cc1cc([N+](=O)[O-])cc(C#N)c1OC(F)F ZINC000575665416 387313102 /nfs/dbraw/zinc/31/31/02/387313102.db2.gz DEUOUHUXWDSZCL-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN Cc1cc([N+](=O)[O-])c(OC(F)F)cc1C#N ZINC000575665466 387314099 /nfs/dbraw/zinc/31/40/99/387314099.db2.gz DZDKROQUSYELSX-UHFFFAOYSA-N 0 0 228.154 2.376 10 30 BEEERN CC(C#N)=C([O-])c1ncsc1Br ZINC000575488425 387259475 /nfs/dbraw/zinc/25/94/75/387259475.db2.gz ZRMRAUGEZQTMMM-SCSAIBSYSA-N 0 0 245.101 2.248 10 30 BEEERN CCOc1ccc([N+](=O)[O-])c(C#N)c1CC ZINC000575670334 387330508 /nfs/dbraw/zinc/33/05/08/387330508.db2.gz JTKDZKIMFKOMHL-UHFFFAOYSA-N 0 0 220.228 2.428 10 30 BEEERN CCOc1cc(C#N)c(F)cc1[N+](=O)[O-] ZINC000575671546 387333745 /nfs/dbraw/zinc/33/37/45/387333745.db2.gz YQTIJWGIFISHQR-UHFFFAOYSA-N 0 0 210.164 2.004 10 30 BEEERN CCOc1c(C#N)c(C)ccc1[N+](=O)[O-] ZINC000575671530 387335042 /nfs/dbraw/zinc/33/50/42/387335042.db2.gz UEXWCFZJTVUANO-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN CCOc1c(C#N)ccc(C)c1[N+](=O)[O-] ZINC000575670794 387336132 /nfs/dbraw/zinc/33/61/32/387336132.db2.gz MCZPLMZVERXDPX-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN COc1cc(OC(F)(F)F)cc(OC)c1C#N ZINC000575671128 387337985 /nfs/dbraw/zinc/33/79/85/387337985.db2.gz HJCVGPRTJBHTRR-UHFFFAOYSA-N 0 0 247.172 2.474 10 30 BEEERN CCOc1ccc([N+](=O)[O-])c(C#N)c1C ZINC000575671293 387338173 /nfs/dbraw/zinc/33/81/73/387338173.db2.gz QCOAPRDIDZNEBR-UHFFFAOYSA-N 0 0 206.201 2.174 10 30 BEEERN C=C1CN(c2ccc(N)cc2Br)C1 ZINC000575501099 387350110 /nfs/dbraw/zinc/35/01/10/387350110.db2.gz IRBYTGLGIHSPAW-UHFFFAOYSA-N 0 0 239.116 2.408 10 30 BEEERN N#CCc1cc(C(F)(F)F)c(N)cc1[N+](=O)[O-] ZINC000575719329 387427174 /nfs/dbraw/zinc/42/71/74/387427174.db2.gz ASEOTCREYQLFIO-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN Cc1ccc(N)c(Br)c1CC#N ZINC000575714937 387428586 /nfs/dbraw/zinc/42/85/86/387428586.db2.gz QCKURAJCGLGEQF-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN Cc1c(N)cc(CC#N)cc1Br ZINC000575715245 387430560 /nfs/dbraw/zinc/43/05/60/387430560.db2.gz YHCQBZXGDYIVHI-UHFFFAOYSA-N 0 0 225.089 2.406 10 30 BEEERN COc1cc(Br)c(N)c(CC#N)c1 ZINC000575715255 387430651 /nfs/dbraw/zinc/43/06/51/387430651.db2.gz YRYDEIYJEQUWPO-UHFFFAOYSA-N 0 0 241.088 2.106 10 30 BEEERN COc1c(C(F)(F)F)ccc(N)c1CC#N ZINC000575716214 387431904 /nfs/dbraw/zinc/43/19/04/387431904.db2.gz BWRWABFMPLLBAO-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN CCc1cc(OC(F)F)c(CC#N)cc1N ZINC000575716674 387433237 /nfs/dbraw/zinc/43/32/37/387433237.db2.gz VAAMSTWNLJLDAF-UHFFFAOYSA-N 0 0 226.226 2.499 10 30 BEEERN N#CCc1ccc(F)c(N)c1OC(F)F ZINC000575716595 387433301 /nfs/dbraw/zinc/43/33/01/387433301.db2.gz TUHIOUNNOKFVMM-UHFFFAOYSA-N 0 0 216.162 2.075 10 30 BEEERN COc1ccc(N)c(C(F)(F)F)c1CC#N ZINC000575716773 387433502 /nfs/dbraw/zinc/43/35/02/387433502.db2.gz MQKQRJIOFDXOEJ-UHFFFAOYSA-N 0 0 230.189 2.362 10 30 BEEERN N#CCc1ccc(N)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575720481 387441479 /nfs/dbraw/zinc/44/14/79/387441479.db2.gz XOEGMMRNSBXUHZ-UHFFFAOYSA-N 0 0 245.160 2.262 10 30 BEEERN Cn1c(Cl)ncc1C(=O)/C=C/Cl ZINC000575521516 387453079 /nfs/dbraw/zinc/45/30/79/387453079.db2.gz XXVYLLZAJYEIGL-NSCUHMNNSA-N 0 0 205.044 2.009 10 30 BEEERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000191370540 387386722 /nfs/dbraw/zinc/38/67/22/387386722.db2.gz QUPURVVCVAWAIG-GXFFZTMASA-N 0 0 244.294 2.312 10 30 BEEERN CCOc1cc(CC#N)c(C)c([N+](=O)[O-])c1 ZINC000575698715 387390922 /nfs/dbraw/zinc/39/09/22/387390922.db2.gz GMKFDQPYLBHNQS-UHFFFAOYSA-N 0 0 220.228 2.368 10 30 BEEERN CCOc1c(CC#N)cc(C)cc1OC ZINC000575698157 387392920 /nfs/dbraw/zinc/39/29/20/387392920.db2.gz 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2.043 10 30 BEEERN C=CCNc1ncccc1Br ZINC000042376517 388092680 /nfs/dbraw/zinc/09/26/80/388092680.db2.gz VOMGCWMRABQSIU-UHFFFAOYSA-N 0 0 213.078 2.442 10 30 BEEERN CCC[C@H](C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000251364880 388344502 /nfs/dbraw/zinc/34/45/02/388344502.db2.gz SVMBKAPQTHHEBX-DCAQKATOSA-N 0 0 208.305 2.231 10 30 BEEERN Cn1ncc(Br)c1C(=O)/C=C/Cl ZINC000575521550 388358056 /nfs/dbraw/zinc/35/80/56/388358056.db2.gz YSSTXXGCGHAXGG-NSCUHMNNSA-N 0 0 249.495 2.118 10 30 BEEERN C[C@H]1OCC[C@@H]1Nc1ccc(C#N)cc1 ZINC000134059231 388392415 /nfs/dbraw/zinc/39/24/15/388392415.db2.gz YJOVYUDCYPWZRJ-SKDRFNHKSA-N 0 0 202.257 2.148 10 30 BEEERN CN(C=O)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000299805203 388617332 /nfs/dbraw/zinc/61/73/32/388617332.db2.gz CPGXCOHEQRHTAR-UHFFFAOYSA-N 0 0 243.291 2.274 10 30 BEEERN C[C@@H](Nc1ccc(C#N)nn1)c1ccco1 ZINC000301917727 388616224 /nfs/dbraw/zinc/61/62/24/388616224.db2.gz JMXCDGSCHVXFAZ-MRVPVSSYSA-N 0 0 214.228 2.114 10 30 BEEERN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000184646309 388580929 /nfs/dbraw/zinc/58/09/29/388580929.db2.gz VSQPMAXLNZPDTP-YNEHKIRRSA-N 0 0 239.359 2.256 10 30 BEEERN CN(C[C@@H]1CCCO1)c1ccc(F)cc1C#N ZINC000111036175 388652464 /nfs/dbraw/zinc/65/24/64/388652464.db2.gz AQPUNVZPUBNQJC-LBPRGKRZSA-N 0 0 234.274 2.313 10 30 BEEERN N#Cc1ccc(-c2nc([C@H]3CC34CC4)no2)nc1 ZINC000516556082 388659327 /nfs/dbraw/zinc/65/93/27/388659327.db2.gz BLHLSEWDLKEPLK-SECBINFHSA-N 0 0 238.250 2.271 10 30 BEEERN Cc1cc(N)c(C#N)cc1N1CCCCC1 ZINC000075625590 388660680 /nfs/dbraw/zinc/66/06/80/388660680.db2.gz VVLVGJQDSBJSHI-UHFFFAOYSA-N 0 0 215.300 2.439 10 30 BEEERN C=C[C@H](NC)c1ncsc1Br ZINC000575453709 388751814 /nfs/dbraw/zinc/75/18/14/388751814.db2.gz CRNZNNHHMODVNZ-YFKPBYRVSA-N 0 0 233.134 2.352 10 30 BEEERN CC(C)[C@H](C#N)NC(=O)[C@H]1CCC[C@@H]1C ZINC000230063980 388810940 /nfs/dbraw/zinc/81/09/40/388810940.db2.gz HJJFORYXEFHOHV-DCAQKATOSA-N 0 0 208.305 2.087 10 30 BEEERN C[C@@H]1CCC[C@@H]1C(=O)NCCCCC#N ZINC000230057719 388811806 /nfs/dbraw/zinc/81/18/06/388811806.db2.gz NZSONDLFYWJUAW-MNOVXSKESA-N 0 0 208.305 2.233 10 30 BEEERN N#Cc1cc([N+](=O)[O-])c(Br)cc1F ZINC000022199687 388828585 /nfs/dbraw/zinc/82/85/85/388828585.db2.gz AKDJYVCDRJPTJU-UHFFFAOYSA-N 0 0 245.007 2.368 10 30 BEEERN NC(=O)c1ccccc1N=Cc1ccco1 ZINC000254606797 388847701 /nfs/dbraw/zinc/84/77/01/388847701.db2.gz DQMPFHBUCPAVHP-UHFFFAOYSA-N 0 0 214.224 2.129 10 30 BEEERN C#Cc1cccc(N(CC)C(=O)[C@H](C)COC)c1 ZINC000103394620 533347554 /nfs/dbraw/zinc/34/75/54/533347554.db2.gz LGLLYMNBVYDGHT-GFCCVEGCSA-N 0 0 245.322 2.303 10 30 BEEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000184900522 533535782 /nfs/dbraw/zinc/53/57/82/533535782.db2.gz IUYVQEGIFMOGHD-QJPTWQEYSA-N 0 0 225.332 2.225 10 30 BEEERN N#Cc1cc(F)ccc1N1CC[C@H]2OCC[C@H]2C1 ZINC000375720294 132288591 /nfs/dbraw/zinc/28/85/91/132288591.db2.gz QTMKULSGZWUPEQ-IINYFYTJSA-N 0 0 246.285 2.313 10 30 BEEERN N#Cc1cccc(N2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000081618760 132310063 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JSJRZUGESOJDAJ-UHFFFAOYSA-N 0 0 237.100 2.288 10 30 BEEERN C[C@@H](CC(=O)N[C@H](C#N)C1CC1)C(C)(C)C ZINC000070976665 133643391 /nfs/dbraw/zinc/64/33/91/133643391.db2.gz HEYCKGHZOOQIEA-GXSJLCMTSA-N 0 0 222.332 2.477 10 30 BEEERN C[C@H](C[C@H]1CCCO1)NC(=O)[C@H]1CCC(=O)N1 ZINC000329133224 133961658 /nfs/dbraw/zinc/96/16/58/133961658.db2.gz YWXNLOADHUBFSC-OPRDCNLKSA-N 0 0 240.303 2.019 10 30 BEEERN CCC[C@@H]1C[C@@H]1NC(=O)c1cc2n(n1)CCCO2 ZINC000330292751 134000079 /nfs/dbraw/zinc/00/00/79/134000079.db2.gz HJEBGQCBOHVWLZ-ZJUUUORDSA-N 0 0 249.314 2.159 10 30 BEEERN CC1(C)CCCN1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000336033230 134059216 /nfs/dbraw/zinc/05/92/16/134059216.db2.gz WBXRPHFXSALVKI-GHMZBOCLSA-N 0 0 235.331 2.263 10 30 BEEERN C[C@H]1C[C@@H](C(=O)N(C)CC#N)CC(C)(C)C1 ZINC000336162958 134111885 /nfs/dbraw/zinc/11/18/85/134111885.db2.gz NVOMEOIZLUBZAC-WDEREUQCSA-N 0 0 222.332 2.431 10 30 BEEERN C=C[C@@H](C)c1noc([C@@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 ZINC000333648031 134120168 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/nfs/dbraw/zinc/54/38/19/134543819.db2.gz YWKWLAFVNPSYFT-BXKDBHETSA-N 0 0 235.287 2.100 10 30 BEEERN C[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)C(C)(F)F ZINC000328337224 134602090 /nfs/dbraw/zinc/60/20/90/134602090.db2.gz JPQCHWBILMNOIS-HRDYMLBCSA-N 0 0 230.258 2.086 10 30 BEEERN C#CCCCCC(=O)N[C@@H]1COc2ccccc21 ZINC000119757610 134602822 /nfs/dbraw/zinc/60/28/22/134602822.db2.gz XSDUFAKWYXFARA-CYBMUJFWSA-N 0 0 243.306 2.430 10 30 BEEERN Cc1ccc2c(c1)C(=O)[C@@](C)(CC#N)CO2 ZINC000045929619 134611001 /nfs/dbraw/zinc/61/10/01/134611001.db2.gz XJCKSFUQYYEDSW-ZDUSSCGKSA-N 0 0 215.252 2.490 10 30 BEEERN Cc1cc([C@H]2CN(CC#N)CCO2)ccc1F ZINC000128880683 134611641 /nfs/dbraw/zinc/61/16/41/134611641.db2.gz MMEGOBNOVKYGJG-CYBMUJFWSA-N 0 0 234.274 2.031 10 30 BEEERN N#CCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052035033 134694346 /nfs/dbraw/zinc/69/43/46/134694346.db2.gz FBDIOCVZGJPUTE-CYBMUJFWSA-N 0 0 218.275 2.356 10 30 BEEERN Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1O ZINC000061888722 134803189 /nfs/dbraw/zinc/80/31/89/134803189.db2.gz XTNGYYRKMKULCE-JQWIXIFHSA-N 0 0 244.294 2.123 10 30 BEEERN COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061889255 134804326 /nfs/dbraw/zinc/80/43/26/134804326.db2.gz LKVVRULCOZSMOV-DGCLKSJQSA-N 0 0 244.294 2.117 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CC1CCCC1 ZINC000061889158 134804846 /nfs/dbraw/zinc/80/48/46/134804846.db2.gz OBJXLDMOURCOCM-RYUDHWBXSA-N 0 0 220.316 2.375 10 30 BEEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC(F)(F)C1 ZINC000302196892 134856616 /nfs/dbraw/zinc/85/66/16/134856616.db2.gz OXTQSEZUOQTEJU-LPEHRKFASA-N 0 0 242.269 2.230 10 30 BEEERN C[C@@H](C#N)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302787580 134860321 /nfs/dbraw/zinc/86/03/21/134860321.db2.gz AWUSJEDVEBXLIP-ZETCQYMHSA-N 0 0 223.207 2.305 10 30 BEEERN CCOc1cccc(C(=O)N[C@@H](C#N)C2CC2)c1 ZINC000108834408 134931852 /nfs/dbraw/zinc/93/18/52/134931852.db2.gz TXWHYZMCXBVRSW-ZDUSSCGKSA-N 0 0 244.294 2.117 10 30 BEEERN CC[C@@H](N[C@H](C)CC#N)c1nccs1 ZINC000070634248 135000713 /nfs/dbraw/zinc/00/07/13/135000713.db2.gz XYSLRFUJXPQOGB-RKDXNWHRSA-N 0 0 209.318 2.486 10 30 BEEERN Cc1cc([C@H]2CN([C@H](C)C#N)CCO2)ccc1F ZINC000248439542 135008973 /nfs/dbraw/zinc/00/89/73/135008973.db2.gz CNHRNTDXOGUJBH-BXUZGUMPSA-N 0 0 248.301 2.420 10 30 BEEERN C[C@@H](C#N)N1CC[C@@H](Nc2ccccc2)C1 ZINC000248451214 135010361 /nfs/dbraw/zinc/01/03/61/135010361.db2.gz IZERWNCBOGZRRI-WCQYABFASA-N 0 0 215.300 2.085 10 30 BEEERN C[C@@H](C#N)N1CCO[C@@H](c2ccsc2)C1 ZINC000248446342 135011538 /nfs/dbraw/zinc/01/15/38/135011538.db2.gz GXBMFWRRBQVPTM-GXSJLCMTSA-N 0 0 222.313 2.033 10 30 BEEERN C[C@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C1CC1 ZINC000112047875 135026586 /nfs/dbraw/zinc/02/65/86/135026586.db2.gz BQLZKSYCQNEQOR-RISCZKNCSA-N 0 0 242.322 2.284 10 30 BEEERN Cc1ncsc1CN[C@@H]1CCC[C@H]1C#N ZINC000084149406 135188160 /nfs/dbraw/zinc/18/81/60/135188160.db2.gz KZDZBNVLPFWMDW-VHSXEESVSA-N 0 0 221.329 2.233 10 30 BEEERN CSCCCCC(=O)NC1(C#N)CCCC1 ZINC000121367499 135224167 /nfs/dbraw/zinc/22/41/67/135224167.db2.gz XVMNZFPJJLUVDI-UHFFFAOYSA-N 0 0 240.372 2.472 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cn1 ZINC000079729466 135355845 /nfs/dbraw/zinc/35/58/45/135355845.db2.gz ZKZOYGFBSBQBDE-SCZZXKLOSA-N 0 0 249.701 2.157 10 30 BEEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cn1 ZINC000079729472 135356396 /nfs/dbraw/zinc/35/63/96/135356396.db2.gz ZKZOYGFBSBQBDE-WPRPVWTQSA-N 0 0 249.701 2.157 10 30 BEEERN C=CCCCN(C)C(=O)c1ccnc(F)c1 ZINC000125089946 135478096 /nfs/dbraw/zinc/47/80/96/135478096.db2.gz SNVLMGQFXXAQJT-UHFFFAOYSA-N 0 0 222.263 2.259 10 30 BEEERN C=CCCCN(C)C(=O)c1c(C)noc1C ZINC000135104038 135551780 /nfs/dbraw/zinc/55/17/80/135551780.db2.gz URCLNTDBRCXJKO-UHFFFAOYSA-N 0 0 222.288 2.330 10 30 BEEERN C=CCCCN(C)C(=O)C(C)(C)C(=O)OCC ZINC000135128040 135553686 /nfs/dbraw/zinc/55/36/86/135553686.db2.gz JQDTUDZBFVXVFR-UHFFFAOYSA-N 0 0 241.331 2.000 10 30 BEEERN COc1cccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000061889188 135563808 /nfs/dbraw/zinc/56/38/08/135563808.db2.gz GBUZCZRQUZAGHU-YPMHNXCESA-N 0 0 244.294 2.117 10 30 BEEERN C#C[C@@H](NN)c1cc2cscc2s1 ZINC000575594170 397993387 /nfs/dbraw/zinc/99/33/87/397993387.db2.gz XLOFDVZYBNLYIS-SSDOTTSWSA-N 0 0 208.311 2.100 10 30 BEEERN COc1c(CC#N)ccc(C#N)c1OC(F)F ZINC000575639926 398038267 /nfs/dbraw/zinc/03/82/67/398038267.db2.gz CTRZRIITPRJGHA-UHFFFAOYSA-N 0 0 238.193 2.234 10 30 BEEERN N#Cc1cc([N+](=O)[O-])c(Br)s1 ZINC000259627762 397974340 /nfs/dbraw/zinc/97/43/40/397974340.db2.gz BVTHSWQRTDMFAI-UHFFFAOYSA-N 0 0 233.046 2.290 10 30 BEEERN N#C[C@@H](N)c1csc(C(F)(F)F)c1 ZINC000259677616 397981972 /nfs/dbraw/zinc/98/19/72/397981972.db2.gz RWUGVSZRKSDDGG-RXMQYKEDSA-N 0 0 206.192 2.290 10 30 BEEERN CCCC/C(CC)=N/N=C1NC(=O)CS1 ZINC000584614069 398078089 /nfs/dbraw/zinc/07/80/89/398078089.db2.gz ZVHWXBUILCBSOS-XYOKQWHBSA-N 0 0 227.333 2.162 10 30 BEEERN C#C[C@@H](C)Nc1cnn(Cc2ccccc2)c1 ZINC000307491512 398103175 /nfs/dbraw/zinc/10/31/75/398103175.db2.gz PRGJKIVRCGUUDM-GFCCVEGCSA-N 0 0 225.295 2.365 10 30 BEEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)ccn1 ZINC000061890283 398107843 /nfs/dbraw/zinc/10/78/43/398107843.db2.gz XZALBHHBYKLUMN-SCZZXKLOSA-N 0 0 249.701 2.157 10 30 BEEERN Cc1c(Br)cncc1CC#N ZINC000259946043 398131438 /nfs/dbraw/zinc/13/14/38/398131438.db2.gz VLJNLJXDAXLYHF-UHFFFAOYSA-N 0 0 211.062 2.219 10 30 BEEERN CC(C)OC(=O)[C@H](C)/N=C\c1ccccc1 ZINC000000116599 167167235 /nfs/dbraw/zinc/16/72/35/167167235.db2.gz CIPXTHFLBCICPJ-HOXUKUGESA-N 0 0 219.284 2.446 10 30 BEEERN C[Si](C)(C)C#Cc1ncccc1[N+](=O)[O-] ZINC000196167329 322898802 /nfs/dbraw/zinc/89/88/02/322898802.db2.gz NKCKXDIVVFKCSH-UHFFFAOYSA-N 0 0 220.304 2.219 10 30 BEEERN Cc1ccccc1SCC(=O)NC1(C#N)CC1 ZINC000115152559 322907997 /nfs/dbraw/zinc/90/79/97/322907997.db2.gz ASIBYRGRNFXMPK-UHFFFAOYSA-N 0 0 246.335 2.260 10 30 BEEERN Cc1ccc(CCCC(=O)NC2(C#N)CC2)cc1 ZINC000115151416 322907947 /nfs/dbraw/zinc/90/79/47/322907947.db2.gz PLGMFXCYPHQTBK-UHFFFAOYSA-N 0 0 242.322 2.490 10 30 BEEERN O=Cc1cncc(C#Cc2ccc(F)cc2)c1 ZINC000116292989 409668885 /nfs/dbraw/zinc/66/88/85/409668885.db2.gz ITVISUBKQGIRMG-UHFFFAOYSA-N 0 0 225.222 2.433 10 30 BEEERN N#Cc1ccc([C@H]2CCCN(C(N)=O)CC2)cc1 ZINC000616627094 409875916 /nfs/dbraw/zinc/87/59/16/409875916.db2.gz COCCQKUUFDOTED-LBPRGKRZSA-N 0 0 243.310 2.206 10 30 BEEERN N#Cc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1F ZINC000335284120 410331399 /nfs/dbraw/zinc/33/13/99/410331399.db2.gz COALGNNEGCBXGU-JSGCOSHPSA-N 0 0 243.285 2.479 10 30 BEEERN C#CCN[C@@](CC)(C[C@H](C)CC)C(=O)OCC ZINC000051965304 166189933 /nfs/dbraw/zinc/18/99/33/166189933.db2.gz VVHMRMBLDPVXSE-OCCSQVGLSA-N 0 0 239.359 2.357 10 30 BEEERN C#CCN[C@H](C#N)c1ccccc1C(F)(F)F ZINC000051962952 166191925 /nfs/dbraw/zinc/19/19/25/166191925.db2.gz OVTSRKGZDSIXPA-LLVKDONJSA-N 0 0 238.212 2.493 10 30 BEEERN C#CCN[C@](CC)(C[C@H](C)CC)C(=O)OCC ZINC000051965307 166192715 /nfs/dbraw/zinc/19/27/15/166192715.db2.gz VVHMRMBLDPVXSE-TZMCWYRMSA-N 0 0 239.359 2.357 10 30 BEEERN C#C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000095931191 166213907 /nfs/dbraw/zinc/21/39/07/166213907.db2.gz VYOSIBSXGYDILG-NXEZZACHSA-N 0 0 209.289 2.313 10 30 BEEERN C#Cc1cccc(N[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000020369409 166223550 /nfs/dbraw/zinc/22/35/50/166223550.db2.gz KJQKGYADPLKKLG-NSHDSACASA-N 0 0 244.338 2.383 10 30 BEEERN C=CCCc1ncncc1Br ZINC000091366378 166307816 /nfs/dbraw/zinc/30/78/16/166307816.db2.gz HKIWBFYKJXBMOD-UHFFFAOYSA-N 0 0 213.078 2.358 10 30 BEEERN C=CCN(C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000153840054 166319325 /nfs/dbraw/zinc/31/93/25/166319325.db2.gz QESBSPJALXWWJK-SNVBAGLBSA-N 0 0 222.288 2.476 10 30 BEEERN C=CCN(CC=C)C(=O)C(C)(C)Br ZINC000041691995 166325453 /nfs/dbraw/zinc/32/54/53/166325453.db2.gz KBYFONCCLPOTOU-UHFFFAOYSA-N 0 0 246.148 2.361 10 30 BEEERN C=CCN(CC=C)c1nc2sccn2c1CO ZINC000035428977 166339995 /nfs/dbraw/zinc/33/99/95/166339995.db2.gz AWFITXVJYWELGZ-UHFFFAOYSA-N 0 0 249.339 2.067 10 30 BEEERN C=CCNC(=O)N[C@H](C)COCc1ccccc1 ZINC000173983690 166380118 /nfs/dbraw/zinc/38/01/18/166380118.db2.gz USMBLDLKKUBZGD-GFCCVEGCSA-N 0 0 248.326 2.077 10 30 BEEERN C=CCNC(=O)c1sc2nc(C)ccc2c1N ZINC000088638813 166394644 /nfs/dbraw/zinc/39/46/44/166394644.db2.gz JOWFSZJSRMRXKV-UHFFFAOYSA-N 0 0 247.323 2.103 10 30 BEEERN CC(C)(C)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000003255360 166608165 /nfs/dbraw/zinc/60/81/65/166608165.db2.gz WNKZKWSUTDWFRZ-XYOKQWHBSA-N 0 0 221.260 2.317 10 30 BEEERN CC(C)(C)NC(=O)C1(C#N)CCCCC1 ZINC000044764517 166610844 /nfs/dbraw/zinc/61/08/44/166610844.db2.gz JPVRTAKYHQPFBC-UHFFFAOYSA-N 0 0 208.305 2.375 10 30 BEEERN CC(C)OCc1ccc(C#CCCO)cc1F ZINC000049620987 167272525 /nfs/dbraw/zinc/27/25/25/167272525.db2.gz DVVBFIJRHBMGAZ-UHFFFAOYSA-N 0 0 236.286 2.485 10 30 BEEERN CC(C)Oc1cc(OC2CC2)cnc1C#N ZINC000095722154 167289030 /nfs/dbraw/zinc/28/90/30/167289030.db2.gz LSAKIQCCXUTXRS-UHFFFAOYSA-N 0 0 218.256 2.282 10 30 BEEERN CC(C)Oc1cccc(C(=O)N[C@H](C)C#N)c1 ZINC000061666404 167304231 /nfs/dbraw/zinc/30/42/31/167304231.db2.gz KCHYMYIZSVFRHK-SNVBAGLBSA-N 0 0 232.283 2.116 10 30 BEEERN CC(C)[C@@H](C#N)NC(=O)NC1CCCCC1 ZINC000071531383 167341142 /nfs/dbraw/zinc/34/11/42/167341142.db2.gz XPQXSNGUIIIEBH-LLVKDONJSA-N 0 0 223.320 2.166 10 30 BEEERN CC1(Nc2ncc(N)cc2C#N)CCCC1 ZINC000042176514 168064996 /nfs/dbraw/zinc/06/49/96/168064996.db2.gz BTDDHHJAQGJWDD-UHFFFAOYSA-N 0 0 216.288 2.280 10 30 BEEERN CC1=C(C)C(=O)c2c(O)cccc2C1=O ZINC000014448051 168080760 /nfs/dbraw/zinc/08/07/60/168080760.db2.gz WBPHCLSNRLPSPK-UHFFFAOYSA-N 0 0 202.209 2.108 10 30 endogenous,in-man BEEERN CC1=C2OC(C)(C)O[C@@H]2CC(C)(C)C1=O ZINC000040435199 168091403 /nfs/dbraw/zinc/09/14/03/168091403.db2.gz XNMQNTGJBBMQIX-MRVPVSSYSA-N 0 0 210.273 2.411 10 30 BEEERN CC1=CC(=O)C2=C(C)CC[C@H]3[C@@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000004081837 168091633 /nfs/dbraw/zinc/09/16/33/168091633.db2.gz BJPSSVHNEGMBDQ-OAACRXHESA-N 0 0 246.306 2.420 10 30 biogenic,in-vitro BEEERN CC1CCC(Oc2ccc(/C(N)=N/O)cn2)CC1 ZINC000019514101 168168310 /nfs/dbraw/zinc/16/83/10/168168310.db2.gz WFMGMAATYLQJCN-UHFFFAOYSA-N 0 0 249.314 2.134 10 30 BEEERN CCC(C#N)(CC)C(=O)N[C@@H]1CCC[C@H]1OC ZINC000050374308 168260806 /nfs/dbraw/zinc/26/08/06/168260806.db2.gz XPJAGEDASMJDIN-GHMZBOCLSA-N 0 0 238.331 2.000 10 30 BEEERN CCC(C#N)(CC)NC(=O)Cc1cccs1 ZINC000040358701 168260896 /nfs/dbraw/zinc/26/08/96/168260896.db2.gz PNOWCSQREMJRBS-UHFFFAOYSA-N 0 0 236.340 2.489 10 30 BEEERN CCC(C#N)(CC)C(=O)N(C)C[C@@H]1C[C@H]1C ZINC000104415332 168261035 /nfs/dbraw/zinc/26/10/35/168261035.db2.gz ARYARGUCERNWNF-MNOVXSKESA-N 0 0 222.332 2.431 10 30 BEEERN CCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000061888472 168268074 /nfs/dbraw/zinc/26/80/74/168268074.db2.gz YDZDHMNWRFQQDH-ZJUUUORDSA-N 0 0 208.305 2.231 10 30 BEEERN CCC(C)(C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000061888474 168268135 /nfs/dbraw/zinc/26/81/35/168268135.db2.gz YDZDHMNWRFQQDH-UWVGGRQHSA-N 0 0 208.305 2.231 10 30 BEEERN CCC(C)(C)Oc1ncc(N)cc1C#N ZINC000037759348 168303851 /nfs/dbraw/zinc/30/38/51/168303851.db2.gz JISIJWPTJRZGAE-UHFFFAOYSA-N 0 0 205.261 2.103 10 30 BEEERN CCN(C[C@@H](C)C#N)c1cccc(N)c1 ZINC000042447992 169878975 /nfs/dbraw/zinc/87/89/75/169878975.db2.gz XBPUESTZTMXULF-JTQLQIEISA-N 0 0 203.289 2.255 10 30 BEEERN CCN[C@]1(C#N)CCCc2ccccc21 ZINC000020378853 170170431 /nfs/dbraw/zinc/17/04/31/170170431.db2.gz XHYSWJGHMOORMW-ZDUSSCGKSA-N 0 0 200.285 2.351 10 30 BEEERN CCNc1ncccc1CN(C)C[C@@H](C)C#N ZINC000052725096 170178501 /nfs/dbraw/zinc/17/85/01/170178501.db2.gz AMFAZQKJDXMSMW-NSHDSACASA-N 0 0 232.331 2.105 10 30 BEEERN CCOC(N)=C1Sc2ccccc2C1=O ZINC000136838573 170179136 /nfs/dbraw/zinc/17/91/36/170179136.db2.gz QBZUBOFCEAXLAX-KHPPLWFESA-N 0 0 221.281 2.139 10 30 BEEERN CCOC(O)=C1CC(=O)Nc2ccccc2C1=O ZINC000100328385 170179299 /nfs/dbraw/zinc/17/92/99/170179299.db2.gz MGUIAQXPRHEMQG-UKTHLTGXSA-N 0 0 247.250 2.018 10 30 BEEERN CCOC(=O)[C@@H](C#N)Cc1ccc(F)c(F)c1 ZINC000074468144 170244498 /nfs/dbraw/zinc/24/44/98/170244498.db2.gz BDEZEEZLBFQQFR-SECBINFHSA-N 0 0 239.221 2.210 10 30 BEEERN CCOC(=O)[C@@](C)(C#N)Cc1ccc(F)cc1 ZINC000057525101 170260701 /nfs/dbraw/zinc/26/07/01/170260701.db2.gz NGIQSPRDWXQVLK-CYBMUJFWSA-N 0 0 235.258 2.461 10 30 BEEERN CCOC(=O)[C@H](C#N)Cc1ccc(CC)cc1 ZINC000074467739 170263542 /nfs/dbraw/zinc/26/35/42/170263542.db2.gz BDCBZYDGNFSMLI-ZDUSSCGKSA-N 0 0 231.295 2.494 10 30 BEEERN CCOC(=O)[C@H](C#N)c1ccccc1C ZINC000034619275 170264237 /nfs/dbraw/zinc/26/42/37/170264237.db2.gz CLVFCYRZVOKCDP-LLVKDONJSA-N 0 0 203.241 2.165 10 30 BEEERN CCOC(=O)c1ccc(C#N)c(OCC)c1 ZINC000039100548 170294869 /nfs/dbraw/zinc/29/48/69/170294869.db2.gz OIKYKLZSKBWTCC-UHFFFAOYSA-N 0 0 219.240 2.134 10 30 BEEERN CCOC(=O)c1oc2cc(C#N)ccc2c1N ZINC000096029067 170309483 /nfs/dbraw/zinc/30/94/83/170309483.db2.gz JDCTYFVPOYYOAG-UHFFFAOYSA-N 0 0 230.223 2.063 10 30 BEEERN CCO[C@@H]1OC2=C(C(=O)C[C@H](C)C2)[C@@H]1C ZINC000095932527 170495693 /nfs/dbraw/zinc/49/56/93/170495693.db2.gz LYFNTKRVFODIME-YVZVNANGSA-N 0 0 210.273 2.268 10 30 BEEERN CCOc1ccc([C@@H](C#N)C(C)=O)cc1 ZINC000036931414 170557889 /nfs/dbraw/zinc/55/78/89/170557889.db2.gz CILOLIAJHWXIDH-LBPRGKRZSA-N 0 0 203.241 2.281 10 30 BEEERN CCOc1nc(N(CCC#N)C(C)C)ccc1N ZINC000042528829 170603168 /nfs/dbraw/zinc/60/31/68/170603168.db2.gz ZWQVURGFGTYASN-UHFFFAOYSA-N 0 0 248.330 2.191 10 30 BEEERN CC[C@@H](C)NC(=O)CNc1cccc(F)c1C#N ZINC000036157872 170740357 /nfs/dbraw/zinc/74/03/57/170740357.db2.gz KSIMLHINWKUNLJ-SECBINFHSA-N 0 0 249.289 2.024 10 30 BEEERN C=CCOCCCNc1nccnc1CCC ZINC000664384695 411936996 /nfs/dbraw/zinc/93/69/96/411936996.db2.gz MBJUEHTUWFKIBZ-UHFFFAOYSA-N 0 0 235.331 2.434 10 30 BEEERN CC[C@@H](Nc1nccnc1C#N)C(C)C ZINC000054377920 170917556 /nfs/dbraw/zinc/91/75/56/170917556.db2.gz AOSRIEMTKGPQFB-SECBINFHSA-N 0 0 204.277 2.195 10 30 BEEERN CC[C@@H]1C[C@H]1Nc1ccc(C)c(C#N)n1 ZINC000302650006 171142507 /nfs/dbraw/zinc/14/25/07/171142507.db2.gz MXWYJFRGUUFCKC-NXEZZACHSA-N 0 0 201.273 2.472 10 30 BEEERN CC[C@@](C)(CCO)Nc1nccc(C)c1C#N ZINC000230081695 171167506 /nfs/dbraw/zinc/16/75/06/171167506.db2.gz GPVKPRIUHLXTST-ZDUSSCGKSA-N 0 0 233.315 2.225 10 30 BEEERN CC[C@H](C#N)C(=O)N[C@H](C)Cc1ccc(F)cc1 ZINC000062034116 171218422 /nfs/dbraw/zinc/21/84/22/171218422.db2.gz GLCOHGAGGDAQBG-ZYHUDNBSSA-N 0 0 248.301 2.423 10 30 BEEERN CC[C@H](C#N)N(CC)Cc1ccncc1 ZINC000043556614 171219147 /nfs/dbraw/zinc/21/91/47/171219147.db2.gz CFMHQWUXWVZSJJ-GFCCVEGCSA-N 0 0 203.289 2.206 10 30 BEEERN CC[C@H](C#N)Oc1cc(C=O)ccc1[N+](=O)[O-] ZINC000050517362 171219596 /nfs/dbraw/zinc/21/95/96/171219596.db2.gz UUPHPSHSHYIDON-SECBINFHSA-N 0 0 234.211 2.088 10 30 BEEERN CC[C@H](C)C(=O)Nc1ccc(N)cc1C#N ZINC000036737814 171255157 /nfs/dbraw/zinc/25/51/57/171255157.db2.gz RDARRTCPWBVZKW-QMMMGPOBSA-N 0 0 217.272 2.125 10 30 BEEERN CC[C@H](C)CN(C)c1cccc(/C(N)=N/O)c1 ZINC000061950647 171275480 /nfs/dbraw/zinc/27/54/80/171275480.db2.gz ZAYXNBAODKQGRY-JTQLQIEISA-N 0 0 235.331 2.263 10 30 BEEERN CC[C@H](C)N(C)c1ccc(N)cc1C#N ZINC000041020733 171309666 /nfs/dbraw/zinc/30/96/66/171309666.db2.gz YJQXEKNWHCASNQ-VIFPVBQESA-N 0 0 203.289 2.375 10 30 BEEERN CC[C@H](C)OCCOc1ccc(C#CCO)cc1 ZINC000049622010 171355321 /nfs/dbraw/zinc/35/53/21/171355321.db2.gz PDVFXEYKARCUBM-ZDUSSCGKSA-N 0 0 248.322 2.224 10 30 BEEERN CC[C@H]1CCCN1C(=O)[C@H](C#N)C(C)C ZINC000044823894 171618656 /nfs/dbraw/zinc/61/86/56/171618656.db2.gz YBPCXZYRPOWICK-WDEREUQCSA-N 0 0 208.305 2.183 10 30 BEEERN CC[C@H]1C[C@H]1Nc1ccc(C)c(C#N)n1 ZINC000302650008 171679856 /nfs/dbraw/zinc/67/98/56/171679856.db2.gz MXWYJFRGUUFCKC-VHSXEESVSA-N 0 0 201.273 2.472 10 30 BEEERN CCc1ncc(CN[C@@H]2CCC[C@@H]2C#N)s1 ZINC000061892674 172018927 /nfs/dbraw/zinc/01/89/27/172018927.db2.gz BAIUZJDIQRJWEI-MWLCHTKSSA-N 0 0 235.356 2.487 10 30 BEEERN CCn1ccnc1/C=N/c1cccnc1 ZINC000039100627 172213449 /nfs/dbraw/zinc/21/34/49/172213449.db2.gz BSQABHWDMYJRIG-NTEUORMPSA-N 0 0 200.245 2.049 10 30 BEEERN CCn1cnc(-c2cccc(C#N)c2)c1N ZINC000104900879 172230652 /nfs/dbraw/zinc/23/06/52/172230652.db2.gz GISYSJNHQCEIML-UHFFFAOYSA-N 0 0 212.256 2.024 10 30 BEEERN CNC(=O)O/N=C(\CSC)C(C)(C)C ZINC000005439184 173293243 /nfs/dbraw/zinc/29/32/43/173293243.db2.gz FZSVSABTBYGOQH-YRNVUSSQSA-N 0 0 218.322 2.108 10 30 in-vitro BEEERN CN[C@@H](C#N)c1cc(Br)cs1 ZINC000041677455 173410397 /nfs/dbraw/zinc/41/03/97/173410397.db2.gz MMAUAYWYFDZSMJ-LURJTMIESA-N 0 0 231.118 2.295 10 30 BEEERN COC1=C(Cl)[C@@H](c2ccccc2)C1=O ZINC000039118458 174013147 /nfs/dbraw/zinc/01/31/47/174013147.db2.gz BMDBNOZLVQMALG-MRVPVSSYSA-N 0 0 208.644 2.450 10 30 BEEERN COCCCN(C)c1ccccc1C#N ZINC000059462212 174220562 /nfs/dbraw/zinc/22/05/62/174220562.db2.gz YKCPIZDIZUQTSF-UHFFFAOYSA-N 0 0 204.273 2.031 10 30 BEEERN COCCCN(CCOC)c1ccc(C#N)cc1 ZINC000042255697 174227266 /nfs/dbraw/zinc/22/72/66/174227266.db2.gz CCBWQYNLAKCKCP-UHFFFAOYSA-N 0 0 248.326 2.048 10 30 BEEERN COCCCN[C@H](C#N)c1ccccc1F ZINC000019988477 174250645 /nfs/dbraw/zinc/25/06/45/174250645.db2.gz QHPYOKFAHREPQX-GFCCVEGCSA-N 0 0 222.263 2.016 10 30 BEEERN COCCCOCCCOc1ccc(C#N)cc1 ZINC000037747305 174253980 /nfs/dbraw/zinc/25/39/80/174253980.db2.gz ZHVQKDJZWOXKHM-UHFFFAOYSA-N 0 0 249.310 2.380 10 30 BEEERN COCCN(CC(C)C)c1ccc(C#N)cc1N ZINC000042370090 174288338 /nfs/dbraw/zinc/28/83/38/174288338.db2.gz BWSHLXCVNCSXBK-UHFFFAOYSA-N 0 0 247.342 2.249 10 30 BEEERN COCCN(CCC#N)c1ccccc1C(C)=O ZINC000071225744 174289134 /nfs/dbraw/zinc/28/91/34/174289134.db2.gz SDXSAVBWGBUXNB-UHFFFAOYSA-N 0 0 246.310 2.256 10 30 BEEERN COCCN(CCC#N)c1ccccc1[C@@H](C)O ZINC000071226706 174289254 /nfs/dbraw/zinc/28/92/54/174289254.db2.gz PERIXLUTPQRUTA-GFCCVEGCSA-N 0 0 248.326 2.106 10 30 BEEERN COCCN(c1ccc(C#N)cc1F)C1CC1 ZINC000042519427 174303132 /nfs/dbraw/zinc/30/31/32/174303132.db2.gz CTOQDVKENKZIIZ-UHFFFAOYSA-N 0 0 234.274 2.313 10 30 BEEERN COCCN[C@@H](C#N)c1ccccc1Cl ZINC000020173676 174337275 /nfs/dbraw/zinc/33/72/75/174337275.db2.gz NSHOTDLDYKGSPC-NSHDSACASA-N 0 0 224.691 2.141 10 30 BEEERN COCCOc1ccc(CC/C(C)=N/O)cc1 ZINC000019442150 174368508 /nfs/dbraw/zinc/36/85/08/174368508.db2.gz QXBQDTFBICRREA-SDNWHVSQSA-N 0 0 237.299 2.495 10 30 BEEERN COc1cc(N(C)[C@H](C)CC#N)c(N)cc1F ZINC000104142014 174995794 /nfs/dbraw/zinc/99/57/94/174995794.db2.gz KVFSUEKKSUASNK-MRVPVSSYSA-N 0 0 237.278 2.155 10 30 BEEERN COc1cc(N[C@H](C)C#N)cc(OC)c1OC ZINC000043514110 175004359 /nfs/dbraw/zinc/00/43/59/175004359.db2.gz BJKORDDHRXRHEQ-MRVPVSSYSA-N 0 0 236.271 2.036 10 30 BEEERN COc1cc([C@@H](C)O)ccc1OCCCC#N ZINC000035626634 175014757 /nfs/dbraw/zinc/01/47/57/175014757.db2.gz AGMNKZMIAPZLCF-SNVBAGLBSA-N 0 0 235.283 2.431 10 30 BEEERN COc1cc([C@H](C#N)NCC(C)C)ccc1O ZINC000037939220 175015079 /nfs/dbraw/zinc/01/50/79/175015079.db2.gz WGQCEJRHSIZVQP-NSHDSACASA-N 0 0 234.299 2.211 10 30 BEEERN COc1cc([C@H](C)O)ccc1OCCCC#N ZINC000035626633 175016069 /nfs/dbraw/zinc/01/60/69/175016069.db2.gz AGMNKZMIAPZLCF-JTQLQIEISA-N 0 0 235.283 2.431 10 30 BEEERN COc1ccc(C#CCO)cc1COCC(C)C ZINC000049620939 175050829 /nfs/dbraw/zinc/05/08/29/175050829.db2.gz LTFMNJCMNSOJSW-UHFFFAOYSA-N 0 0 248.322 2.212 10 30 BEEERN COc1ccc(C#CCCO)cc1COC(C)C ZINC000049620985 175051389 /nfs/dbraw/zinc/05/13/89/175051389.db2.gz XVUAWQAIAZYWDE-UHFFFAOYSA-N 0 0 248.322 2.354 10 30 BEEERN COc1ccc(C#N)c(Br)c1F ZINC000075927332 175051497 /nfs/dbraw/zinc/05/14/97/175051497.db2.gz VUOWACPOXOFPQI-UHFFFAOYSA-N 0 0 230.036 2.468 10 30 BEEERN COc1ccc(CN(CCC#N)C(C)C)cc1N ZINC000042528560 175097087 /nfs/dbraw/zinc/09/70/87/175097087.db2.gz VAKKBLOJCGCUDX-UHFFFAOYSA-N 0 0 247.342 2.401 10 30 BEEERN COc1ccc(Cl)cc1[C@](C)(N)C#N ZINC000057496399 175122934 /nfs/dbraw/zinc/12/29/34/175122934.db2.gz DHSCIWTXBBSFCC-SNVBAGLBSA-N 0 0 210.664 2.046 10 30 BEEERN COc1ccc(N[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000054822767 175154349 /nfs/dbraw/zinc/15/43/49/175154349.db2.gz UFRQOVQTJSFYAB-MWLCHTKSSA-N 0 0 217.272 2.194 10 30 BEEERN COc1ccc(OC)c([C@H](C#N)NC(C)C)c1 ZINC000020175850 175168751 /nfs/dbraw/zinc/16/87/51/175168751.db2.gz GJMITVHTXKVYJE-LBPRGKRZSA-N 0 0 234.299 2.266 10 30 BEEERN COc1ccc(OC)c([C@H](C#N)NC2CC2)c1 ZINC000020175854 175168884 /nfs/dbraw/zinc/16/88/84/175168884.db2.gz HRHPKEUOEKNDBV-LBPRGKRZSA-N 0 0 232.283 2.020 10 30 BEEERN COc1ccc([C@@H]2CC(=O)CC(=O)[C@@H]2C#N)cc1 ZINC000100905387 175181894 /nfs/dbraw/zinc/18/18/94/175181894.db2.gz RKTYGMKBIVSGQB-QWHCGFSZSA-N 0 0 243.262 2.333 10 30 BEEERN COc1ccc2cc([C@@H](N)C#N)ccc2c1 ZINC000022171293 175224852 /nfs/dbraw/zinc/22/48/52/175224852.db2.gz FSLRFHSQYBCIIS-ZDUSSCGKSA-N 0 0 212.252 2.372 10 30 BEEERN COc1ccc2ccc(=O)oc2c1/C=C/C(C)=O ZINC000014618683 175226121 /nfs/dbraw/zinc/22/61/21/175226121.db2.gz FNFVAKUIMOKUQL-ZZXKWVIFSA-N 0 0 244.246 2.404 10 30 biogenic,in-vitro BEEERN COc1ccc2[nH]c(CCS)nc2c1 ZINC000071743311 175228357 /nfs/dbraw/zinc/22/83/57/175228357.db2.gz LOAPMRMERJZRNN-UHFFFAOYSA-N 0 0 208.286 2.044 10 30 BEEERN COc1cccc(/C=C\C(=O)/C=C/N(C)C)c1 ZINC000077024851 175241105 /nfs/dbraw/zinc/24/11/05/175241105.db2.gz NHZXROTVMVZZBR-UQGDGPGGSA-N 0 0 231.295 2.353 10 30 BEEERN COc1cccc(C(=O)[C@H](C)CC#N)c1 ZINC000033426638 175247427 /nfs/dbraw/zinc/24/74/27/175247427.db2.gz SPWNTRMUKDFXLL-SECBINFHSA-N 0 0 203.241 2.428 10 30 BEEERN COc1cccc([C@H](C#N)NC[C@@H]2CCCO2)c1 ZINC000037940079 175291736 /nfs/dbraw/zinc/29/17/36/175291736.db2.gz DSJPAIUKAUGPPV-KBPBESRZSA-N 0 0 246.310 2.028 10 30 BEEERN COc1ccccc1C(=O)C[C@@H](C)C#N ZINC000033426693 175316911 /nfs/dbraw/zinc/31/69/11/175316911.db2.gz UHEWLJXSOAQYFH-SECBINFHSA-N 0 0 203.241 2.428 10 30 BEEERN COc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000061889241 175318719 /nfs/dbraw/zinc/31/87/19/175318719.db2.gz OJRWQEAAIRHHER-CMPLNLGQSA-N 0 0 244.294 2.117 10 30 BEEERN COc1ccccc1CCN(C)[C@H](C)CC#N ZINC000049822545 175322485 /nfs/dbraw/zinc/32/24/85/175322485.db2.gz MIQDAGVYNNCBGY-GFCCVEGCSA-N 0 0 232.327 2.472 10 30 BEEERN COc1ccccc1Oc1nccnc1C#N ZINC000044549093 175342450 /nfs/dbraw/zinc/34/24/50/175342450.db2.gz QFDZWEMAOLFQAC-UHFFFAOYSA-N 0 0 227.223 2.149 10 30 BEEERN COc1ccccc1[C@@H](C#N)NCC(F)(F)F ZINC000037971000 175343642 /nfs/dbraw/zinc/34/36/42/175343642.db2.gz RJVMFETVAKEIQY-SECBINFHSA-N 0 0 244.216 2.412 10 30 BEEERN COc1nc(Nc2cccc(C#N)c2)ccc1N ZINC000037067528 175395587 /nfs/dbraw/zinc/39/55/87/175395587.db2.gz UGAGDAXRGXJPTG-UHFFFAOYSA-N 0 0 240.266 2.288 10 30 BEEERN CSc1nc2scc(C)n2c1C#N ZINC000075422694 175589739 /nfs/dbraw/zinc/58/97/39/175589739.db2.gz NAVPIQTWQIWXQX-UHFFFAOYSA-N 0 0 209.299 2.298 10 30 BEEERN C[C@@H](C#N)CN(C)c1ccc(N)c2cccnc21 ZINC000042455193 175596329 /nfs/dbraw/zinc/59/63/29/175596329.db2.gz BUFWDLRTVFFBMQ-JTQLQIEISA-N 0 0 240.310 2.413 10 30 BEEERN C[C@@H](C#N)CSc1nnnn1C1CCCC1 ZINC000036668459 175597131 /nfs/dbraw/zinc/59/71/31/175597131.db2.gz QNXYHLPHOHNUEC-QMMMGPOBSA-N 0 0 237.332 2.040 10 30 BEEERN C[C@@H](c1cccc(N)c1)N(C)CCC#N ZINC000040908088 176017706 /nfs/dbraw/zinc/01/77/06/176017706.db2.gz MEEWSNSOPLOWLX-JTQLQIEISA-N 0 0 203.289 2.175 10 30 BEEERN C[C@@H](c1ccccc1)[C@@H](C#N)NC1CC1 ZINC000041046396 176021608 /nfs/dbraw/zinc/02/16/08/176021608.db2.gz PNPOCFZHPJDMMM-GXFFZTMASA-N 0 0 200.285 2.434 10 30 BEEERN C[C@@H](c1ccccc1)[C@@H](C#N)N1CCOCC1 ZINC000041086169 176022267 /nfs/dbraw/zinc/02/22/67/176022267.db2.gz ZEOABPCZEHVKPR-GXTWGEPZSA-N 0 0 230.311 2.014 10 30 BEEERN C[C@@H]1CC(C)(C)C[C@](C#N)(NCCCO)C1 ZINC000053708785 176052507 /nfs/dbraw/zinc/05/25/07/176052507.db2.gz KXLCVYGJLKIMRG-DGCLKSJQSA-N 0 0 224.348 2.067 10 30 BEEERN C[C@@H]1CCCN(Cc2cccnc2C#N)C1 ZINC000061664202 176101998 /nfs/dbraw/zinc/10/19/98/176101998.db2.gz ZPCHIDHEJXZPSJ-LLVKDONJSA-N 0 0 215.300 2.185 10 30 BEEERN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C=O ZINC000224534303 176253373 /nfs/dbraw/zinc/25/33/73/176253373.db2.gz PLVBIBPBUCVLHC-ZJUUUORDSA-N 0 0 227.304 2.078 10 30 BEEERN C[C@H](C#N)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000020223327 176553629 /nfs/dbraw/zinc/55/36/29/176553629.db2.gz BHEIMWGLEUEEKT-MRVPVSSYSA-N 0 0 243.715 2.273 10 30 BEEERN C[C@@H](Oc1cc(Cl)ccc1C#N)[C@H](C)O ZINC000129036673 177005824 /nfs/dbraw/zinc/00/58/24/177005824.db2.gz GGWVHHCNPSXDLG-JGVFFNPUSA-N 0 0 225.675 2.360 10 30 BEEERN C[C@H](Oc1ccccc1C#N)C(=O)NC(C)(C)C ZINC000015800972 177024302 /nfs/dbraw/zinc/02/43/02/177024302.db2.gz HMUXBCMAMYBDQM-JTQLQIEISA-N 0 0 246.310 2.240 10 30 BEEERN C[C@H](Oc1ccccc1)c1nc(CC#N)no1 ZINC000073641455 177024332 /nfs/dbraw/zinc/02/43/32/177024332.db2.gz FOMOUCABWXETFA-VIFPVBQESA-N 0 0 229.239 2.276 10 30 BEEERN C[C@H]1CC(C)(C)C[C@@](C#N)(NCCCO)C1 ZINC000053708782 177063801 /nfs/dbraw/zinc/06/38/01/177063801.db2.gz KXLCVYGJLKIMRG-AAEUAGOBSA-N 0 0 224.348 2.067 10 30 BEEERN C[C@H]1CCCC[C@H]1N(C)c1nccnc1C#N ZINC000054379398 177087107 /nfs/dbraw/zinc/08/71/07/177087107.db2.gz KDYDRCLGGZXOBT-CMPLNLGQSA-N 0 0 230.315 2.363 10 30 BEEERN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)nc1 ZINC000115001193 177088269 /nfs/dbraw/zinc/08/82/69/177088269.db2.gz HLAGAYBNLWBINW-GXFFZTMASA-N 0 0 243.310 2.262 10 30 BEEERN C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)n2)C1 ZINC000235647717 177205212 /nfs/dbraw/zinc/20/52/12/177205212.db2.gz NCOLIDNBURROEH-IUCAKERBSA-N 0 0 246.270 2.462 10 30 BEEERN C[C@H]1C[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000052291310 177350989 /nfs/dbraw/zinc/35/09/89/177350989.db2.gz FINOBUIHPPDDDL-XVKPBYJWSA-N 0 0 217.228 2.287 10 30 BEEERN C[C@@H]1CCN(C(=O)C(C)(C)C#N)[C@@H](C)C1 ZINC000051733799 177355124 /nfs/dbraw/zinc/35/51/24/177355124.db2.gz UNRVPMBQTQECQT-ZJUUUORDSA-N 0 0 208.305 2.183 10 30 BEEERN Cc1c(C)n(Cc2nccs2)c(N)c1C#N ZINC000042339844 177556839 /nfs/dbraw/zinc/55/68/39/177556839.db2.gz RTHZJSXPRGFKPK-UHFFFAOYSA-N 0 0 232.312 2.064 10 30 BEEERN C[C@H](CC[C@@H]1OC1(C)C)[C@@H]1C=CC(=O)[C@H](O)C1 ZINC000504014470 226337972 /nfs/dbraw/zinc/33/79/72/226337972.db2.gz DLJDPQQYQRPMKG-WFFHOREQSA-N 0 0 238.327 2.086 10 30 BEEERN CC(=O)c1ccc(NC(=O)[C@@H](C)CC#N)cc1 ZINC000049821618 487921948 /nfs/dbraw/zinc/92/19/48/487921948.db2.gz UDENLCVEACQHQR-VIFPVBQESA-N 0 0 230.267 2.377 10 30 BEEERN Cc1conc1NC(=O)c1ccc(C#N)cc1C ZINC000133977704 323021129 /nfs/dbraw/zinc/02/11/29/323021129.db2.gz JBPZFTFMYWPWNU-UHFFFAOYSA-N 0 0 241.250 2.415 10 30 BEEERN CC1CC(C(=O)N(CC#N)C2CCCC2)C1 ZINC000531238067 323086367 /nfs/dbraw/zinc/08/63/67/323086367.db2.gz DVSPWIGHGMKSNM-UHFFFAOYSA-N 0 0 220.316 2.327 10 30 BEEERN CC(C)[C@]1(C#N)COc2ccccc2O1 ZINC000536951772 323957370 /nfs/dbraw/zinc/95/73/70/323957370.db2.gz WGJWXJFROAVUHH-LBPRGKRZSA-N 0 0 203.241 2.376 10 30 BEEERN CC(C)[C@@]1(C#N)COc2ccccc2O1 ZINC000536951771 323957449 /nfs/dbraw/zinc/95/74/49/323957449.db2.gz WGJWXJFROAVUHH-GFCCVEGCSA-N 0 0 203.241 2.376 10 30 BEEERN Cc1ccc(CN(C)C(=O)C2(C#N)CC(C)C2)o1 ZINC000125728185 324650144 /nfs/dbraw/zinc/65/01/44/324650144.db2.gz UBYBTTNNNOLCGH-UHFFFAOYSA-N 0 0 246.310 2.486 10 30 BEEERN Cc1cc(F)ccc1C(=O)N[C@H](C#N)C1CC1 ZINC000130449736 325053356 /nfs/dbraw/zinc/05/33/56/325053356.db2.gz HYHMRPAFYJBGKG-GFCCVEGCSA-N 0 0 232.258 2.166 10 30 BEEERN C=CCCC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000134514869 325362785 /nfs/dbraw/zinc/36/27/85/325362785.db2.gz MTCFLXNSPYKGBN-QWHCGFSZSA-N 0 0 239.359 2.400 10 30 BEEERN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000269700293 326210014 /nfs/dbraw/zinc/21/00/14/326210014.db2.gz MFHJDSKSNPJRJW-JFGNBEQYSA-N 0 0 245.326 2.441 10 30 BEEERN CS(=O)(=O)OC1CCC2(CCC2)CC1 ZINC000147937806 488073290 /nfs/dbraw/zinc/07/32/90/488073290.db2.gz BQWLIDMUPDQMGU-UHFFFAOYSA-N 0 0 218.318 2.076 10 30 BEEERN CS(=O)(=O)OC1CCC2(CCCC2)CC1 ZINC000147953412 488074214 /nfs/dbraw/zinc/07/42/14/488074214.db2.gz KEBNOFFMZALFNP-UHFFFAOYSA-N 0 0 232.345 2.466 10 30 BEEERN C=C(C)C[N@@H+](CC)Cc1ncccc1C(=O)[O-] ZINC000382472256 487543201 /nfs/dbraw/zinc/54/32/01/487543201.db2.gz CVULRKKOCLSJRL-UHFFFAOYSA-N 0 0 234.299 2.178 10 30 BEEERN CO[C@@H]1CCCN(c2cc(C)nc(C)c2C#N)C1 ZINC000227593560 487481434 /nfs/dbraw/zinc/48/14/34/487481434.db2.gz WECWYBXHTZIXPV-GFCCVEGCSA-N 0 0 245.326 2.185 10 30 BEEERN C#Cc1cnn(CCOCc2ccccc2)c1 ZINC000585142776 491126364 /nfs/dbraw/zinc/12/63/64/491126364.db2.gz BMARRWDZKJAAKU-UHFFFAOYSA-N 0 0 226.279 2.081 10 30 BEEERN C=C[C@H](C)NC(=S)NCc1ccccc1F ZINC000757135553 582514463 /nfs/dbraw/zinc/51/44/63/582514463.db2.gz UYEQNSZLFGXLGQ-VIFPVBQESA-N 0 0 238.331 2.364 10 30 BEEERN C=C[C@@H](C)NC(=S)NCCC(C)C ZINC000757135549 582514467 /nfs/dbraw/zinc/51/44/67/582514467.db2.gz UOLCMSCOPYRNSA-SECBINFHSA-N 0 0 200.351 2.071 10 30 BEEERN C[C@H](SCc1ccc(Cl)o1)[C@@H](N)C#N ZINC000757165633 582547131 /nfs/dbraw/zinc/54/71/31/582547131.db2.gz MLBJRMUULFMRCZ-XPUUQOCRSA-N 0 0 230.720 2.406 10 30 BEEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](S)C1 ZINC000757166377 582547368 /nfs/dbraw/zinc/54/73/68/582547368.db2.gz UCGLJWKNMUFGAH-HTQZYQBOSA-N 0 0 217.334 2.362 10 30 BEEERN Cc1ccoc1CSCC[C@@H](N)C#N ZINC000757166921 582546884 /nfs/dbraw/zinc/54/68/84/582546884.db2.gz SYPQQVGONILZJL-SECBINFHSA-N 0 0 210.302 2.062 10 30 BEEERN CC(C)(C)OC(=O)N1CCC[C@](F)(C#N)C1 ZINC000107271917 518808701 /nfs/dbraw/zinc/80/87/01/518808701.db2.gz MJBOBUBUUWDLTB-NSHDSACASA-N 0 0 228.267 2.249 10 30 BEEERN CC(=O)N(C)[C@@H](C#N)c1cc(F)ccc1F ZINC000095532452 519449135 /nfs/dbraw/zinc/44/91/35/519449135.db2.gz KCZBSESORXWCJQ-NSHDSACASA-N 0 0 224.210 2.008 10 30 BEEERN CC(=O)N(Cc1ccccc1)[C@@H](C#N)C1CC1 ZINC000095532483 519468131 /nfs/dbraw/zinc/46/81/31/519468131.db2.gz FAEHFPGKWSDXEJ-AWEZNQCLSA-N 0 0 228.295 2.337 10 30 BEEERN C=CCCCN(C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000076946557 534703694 /nfs/dbraw/zinc/70/36/94/534703694.db2.gz KSWRSUVRJNXNCE-NEPJUHHUSA-N 0 0 240.347 2.162 10 30 BEEERN CC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)CO1 ZINC000072207793 523628747 /nfs/dbraw/zinc/62/87/47/523628747.db2.gz BADMUOAKNHPPGE-LDYMZIIASA-N 0 0 215.293 2.079 10 30 BEEERN CN[C@H](C#N)CCN1c2ccccc2CC[C@H]1C ZINC000062367726 536378715 /nfs/dbraw/zinc/37/87/15/536378715.db2.gz KZKKTURRJOWEQG-OCCSQVGLSA-N 0 0 243.354 2.329 10 30 BEEERN C[C@H]1C[C@@H](C=O)CCN1C(=O)OC(C)(C)C ZINC000138412425 524774743 /nfs/dbraw/zinc/77/47/43/524774743.db2.gz LTVKOAXXMXYLCK-UWVGGRQHSA-N 0 0 227.304 2.221 10 30 BEEERN C=CCN(C(=O)[C@H](C)COC)c1ccccc1 ZINC000103364510 534815023 /nfs/dbraw/zinc/81/50/23/534815023.db2.gz KMVYAIBMJBLJOL-GFCCVEGCSA-N 0 0 233.311 2.488 10 30 BEEERN C=CCN(CC=C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000190311377 534823755 /nfs/dbraw/zinc/82/37/55/534823755.db2.gz HDPXJEQOWYSCPT-NWDGAFQWSA-N 0 0 223.316 2.002 10 30 BEEERN C[Si](C)(C)c1cc2ncc(C=NO)cc2o1 ZINC000301054623 525398414 /nfs/dbraw/zinc/39/84/14/525398414.db2.gz CQNPYIXCRNPAEL-UHFFFAOYSA-N 0 0 234.331 2.181 10 30 BEEERN C#C[C@H](NC(=O)[C@H]1CCC[C@@H]1C)C(C)C ZINC000300847007 527405177 /nfs/dbraw/zinc/40/51/77/527405177.db2.gz DVZMOZJTSROCNP-SRVKXCTJSA-N 0 0 207.317 2.197 10 30 BEEERN CC[C@@H](Nc1cncc(C#N)n1)C(C)C ZINC000401328971 529212499 /nfs/dbraw/zinc/21/24/99/529212499.db2.gz MITLSOGPPNLMOX-SNVBAGLBSA-N 0 0 204.277 2.195 10 30 BEEERN CC1(C)C[C@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333078252 534929201 /nfs/dbraw/zinc/92/92/01/534929201.db2.gz FALFEQJLEXBFJP-YGRLFVJLSA-N 0 0 232.327 2.375 10 30 BEEERN CC(C)(C#N)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000336005883 534999093 /nfs/dbraw/zinc/99/90/93/534999093.db2.gz KRHFVBPVJOPWTP-RYUDHWBXSA-N 0 0 234.343 2.322 10 30 BEEERN CC(C)[C@H]1CCO[C@H]1C(=O)NC1(C#N)CCC1 ZINC000329657524 535201772 /nfs/dbraw/zinc/20/17/72/535201772.db2.gz NFZUINWNORFWIM-GHMZBOCLSA-N 0 0 236.315 2.450 10 30 BEEERN CCC(C)(C)NC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000336620901 535358301 /nfs/dbraw/zinc/35/83/01/535358301.db2.gz QGRQKKLVVPYQBX-VHSXEESVSA-N 0 0 223.320 2.166 10 30 BEEERN CC[C@@H]1CO[C@@H](C)CN1c1ccc(C#N)cc1N ZINC000036131921 535843782 /nfs/dbraw/zinc/84/37/82/535843782.db2.gz MQLYKBJPDLAOJR-CMPLNLGQSA-N 0 0 245.326 2.144 10 30 BEEERN CN(C(=O)N[C@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000335476695 536053634 /nfs/dbraw/zinc/05/36/34/536053634.db2.gz YQXGCRXYEQLOKW-PWSUYJOCSA-N 0 0 235.331 2.263 10 30 BEEERN CCO/C=C1/CCc2ncccc2C1=O ZINC000725257266 538065346 /nfs/dbraw/zinc/06/53/46/538065346.db2.gz MUUSGGLBFOADFL-HJWRWDBZSA-N 0 0 203.241 2.131 10 30 BEEERN C[C@@H]1c2ccccc2C(=O)/C1=C/N(C)C ZINC000308986395 538109947 /nfs/dbraw/zinc/10/99/47/538109947.db2.gz GVCJGTLQUXTLTA-YXYQAXARSA-N 0 0 201.269 2.432 10 30 BEEERN CC(=O)OC/C=C/C#CC#C/C=C/c1ccco1 ZINC000033829982 560089001 /nfs/dbraw/zinc/08/90/01/560089001.db2.gz KQELYEKOTPXIHM-NBANWCDVSA-N 0 0 240.258 2.419 10 30 biogenic,in-vitro BEEERN COC(=O)CC1([C@@H]2CO2)CCCCCC1 ZINC000675052192 583300954 /nfs/dbraw/zinc/30/09/54/583300954.db2.gz AJXREHQAPIFUAU-JTQLQIEISA-N 0 0 212.289 2.289 10 30 BEEERN C=CCCCn1cc(Br)c(N)n1 ZINC000711324618 582457504 /nfs/dbraw/zinc/45/75/04/582457504.db2.gz CABLOAOXQKCSNO-UHFFFAOYSA-N 0 0 230.109 2.194 10 30 BEEERN COC(=O)[C@]1(Cl)O[C@@]1(C)CC1CCC1 ZINC000234590917 582461215 /nfs/dbraw/zinc/46/12/15/582461215.db2.gz VFGYJOBMINYDDE-UWVGGRQHSA-N 0 0 218.680 2.074 10 30 BEEERN C#C[C@]1(O)CCc2ccc(Br)cc21 ZINC000757123955 582498750 /nfs/dbraw/zinc/49/87/50/582498750.db2.gz WLQQQJOWARNLSQ-NSHDSACASA-N 0 0 237.096 2.216 10 30 BEEERN C=C[C@@H](C)NC(=S)NCCCCC ZINC000757132591 582508001 /nfs/dbraw/zinc/50/80/01/582508001.db2.gz COKREAQTHHLTJH-SECBINFHSA-N 0 0 200.351 2.215 10 30 BEEERN C=C[C@H](C)NC(=S)N[C@@H](C)C1CCC1 ZINC000757133172 582509248 /nfs/dbraw/zinc/50/92/48/582509248.db2.gz HCUBXNYTGYWAPJ-IUCAKERBSA-N 0 0 212.362 2.214 10 30 BEEERN C=C[C@H](C)N1C(=S)N=NC1[C@H]1C[C@H]1C ZINC000757134568 582511358 /nfs/dbraw/zinc/51/13/58/582511358.db2.gz XZCZFKGNMLEPTG-CSMHCCOUSA-N 0 0 209.318 2.437 10 30 BEEERN C=C[C@@H](C)N1C(=S)N=NC1C1(C)CC1 ZINC000757134841 582513369 /nfs/dbraw/zinc/51/33/69/582513369.db2.gz ZJQRAFJQPFHUSX-SSDOTTSWSA-N 0 0 209.318 2.365 10 30 BEEERN CCc1ccc(CS[C@@H](C)[C@H](N)C#N)o1 ZINC000757163953 582546103 /nfs/dbraw/zinc/54/61/03/582546103.db2.gz FYSOKNMDDOIWQK-GZMMTYOYSA-N 0 0 224.329 2.315 10 30 BEEERN C[C@@H](SCc1ccc(Cl)o1)[C@H](N)C#N ZINC000757165604 582547034 /nfs/dbraw/zinc/54/70/34/582547034.db2.gz MLBJRMUULFMRCZ-HTRCEHHLSA-N 0 0 230.720 2.406 10 30 BEEERN C[C@H]1C[C@@H]1c1c(Br)[nH]c(N)c1C#N ZINC000757171684 582551497 /nfs/dbraw/zinc/55/14/97/582551497.db2.gz VDRNAJQQXXCLPJ-WHFBIAKZSA-N 0 0 240.104 2.354 10 30 BEEERN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)S ZINC000757163430 586432810 /nfs/dbraw/zinc/43/28/10/586432810.db2.gz PNXJWXFJUFWWAI-RQJHMYQMSA-N 0 0 205.323 2.218 10 30 BEEERN N#Cc1c(N)[nH]c(Br)c1C1CC1 ZINC000757170898 586433015 /nfs/dbraw/zinc/43/30/15/586433015.db2.gz LMSUWEKLRRKRID-UHFFFAOYSA-N 0 0 226.077 2.108 10 30 BEEERN C#C[C@@H](OC(=O)NC1CC1)c1ccccc1 ZINC000757193206 586436230 /nfs/dbraw/zinc/43/62/30/586436230.db2.gz ZHZXIDXZZQEKCI-GFCCVEGCSA-N 0 0 215.252 2.250 10 30 BEEERN C[C@@H]1CC[C@@H](C(=O)Oc2ccc(C#N)cc2)O1 ZINC000121368475 587413538 /nfs/dbraw/zinc/41/35/38/587413538.db2.gz HZMZECXLSYMPPA-SKDRFNHKSA-N 0 0 231.251 2.031 10 30 BEEERN C=CCCC(=O)Oc1cccc(C(=O)N(C)C)c1 ZINC000102229101 587818525 /nfs/dbraw/zinc/81/85/25/587818525.db2.gz ORVWHLODYRZDSS-UHFFFAOYSA-N 0 0 247.294 2.260 10 30 BEEERN O=C(OCC#Cc1ccccc1)[C@H]1CCCOC1 ZINC000102708231 587854076 /nfs/dbraw/zinc/85/40/76/587854076.db2.gz MGJKTRLBLORTIK-AWEZNQCLSA-N 0 0 244.290 2.008 10 30 BEEERN C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1ccccn1 ZINC000105549464 588199870 /nfs/dbraw/zinc/19/98/70/588199870.db2.gz HJETZLNWMGGWBX-LOWVWBTDSA-N 0 0 229.279 2.345 10 30 BEEERN C/C(=C/C(=O)O[C@H](C#N)C(C)C)C1CC1 ZINC000121587456 588245694 /nfs/dbraw/zinc/24/56/94/588245694.db2.gz YMJIQFZLZLLDCA-DHHDDZJSSA-N 0 0 207.273 2.434 10 30 BEEERN CCCCCCCCSC[C@H](O)CO ZINC000118874340 589200552 /nfs/dbraw/zinc/20/05/52/589200552.db2.gz BYEWWAPPFCCOKH-LLVKDONJSA-N 0 0 220.378 2.433 10 30 BEEERN C=CCCC(=O)O[C@H](CC(C)C)C(=O)OC ZINC000118911399 589204121 /nfs/dbraw/zinc/20/41/21/589204121.db2.gz LOCLLTVNXBVETE-SNVBAGLBSA-N 0 0 228.288 2.084 10 30 BEEERN C#CCOCCC(=O)O[C@@H](CC)CCC ZINC000119015730 589231188 /nfs/dbraw/zinc/23/11/88/589231188.db2.gz BEOXUDBRGGCHHX-NSHDSACASA-N 0 0 212.289 2.148 10 30 BEEERN C#CCN(CC#C)C(=O)CCCCCCC(C)=O ZINC000120752484 589461426 /nfs/dbraw/zinc/46/14/26/589461426.db2.gz RTWQRIBTSJYOKW-UHFFFAOYSA-N 0 0 247.338 2.011 10 30 BEEERN C#CC[C@H](OC(=O)C=C1CCC1)C1CC1 ZINC000122092457 589554048 /nfs/dbraw/zinc/55/40/48/589554048.db2.gz RFYHQELRKUJTLW-LBPRGKRZSA-N 0 0 204.269 2.442 10 30 BEEERN C#CC[C@@H](OC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC000122093989 589554145 /nfs/dbraw/zinc/55/41/45/589554145.db2.gz SDTGGWGFAYOJQY-QWHCGFSZSA-N 0 0 236.311 2.291 10 30 BEEERN CC(C)[C@H](C#N)OC(=O)/C=C/c1cccnc1 ZINC000122329559 589581519 /nfs/dbraw/zinc/58/15/19/589581519.db2.gz FWFKAOYCRFTLSK-FYJFLYSWSA-N 0 0 230.267 2.186 10 30 BEEERN N#CC1(NC(=O)c2ccc(Cl)nc2)CCCC1 ZINC000124938195 590102636 /nfs/dbraw/zinc/10/26/36/590102636.db2.gz VALPDJIRVHPBRY-UHFFFAOYSA-N 0 0 249.701 2.301 10 30 BEEERN C[C@H](C#N)NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000125650553 590176732 /nfs/dbraw/zinc/17/67/32/590176732.db2.gz LLWYARABPBRIGS-RXMQYKEDSA-N 0 0 244.081 2.030 10 30 BEEERN C#Cc1cccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000126197655 590247132 /nfs/dbraw/zinc/24/71/32/590247132.db2.gz MTCOUFKPWKEOTA-MFKMUULPSA-N 0 0 229.279 2.174 10 30 BEEERN C=CCCO[C@@H](C)C(=O)OC1(C)CCC1 ZINC000126922805 590507137 /nfs/dbraw/zinc/50/71/37/590507137.db2.gz JLRXAVLBGFPNOM-JTQLQIEISA-N 0 0 212.289 2.453 10 30 BEEERN C=C[C@H](CC)OC(=O)c1ccnc(N(C)C)c1 ZINC000127470006 590678540 /nfs/dbraw/zinc/67/85/40/590678540.db2.gz BNHRQTKXEHJTBM-LLVKDONJSA-N 0 0 234.299 2.269 10 30 BEEERN Cc1nc(Cl)ccc1C(=O)N[C@@H](C#N)C1CC1 ZINC000129161828 591266971 /nfs/dbraw/zinc/26/69/71/591266971.db2.gz GRTRBHHFJQVVNJ-JTQLQIEISA-N 0 0 249.701 2.075 10 30 BEEERN C#CCCCOC(=O)c1ccc(C#N)cc1C ZINC000129543010 591321981 /nfs/dbraw/zinc/32/19/81/591321981.db2.gz PVPMEKGEEBNOIS-UHFFFAOYSA-N 0 0 227.263 2.437 10 30 BEEERN CO[C@H](C)CCOC(=O)c1ccc(C#N)cc1C ZINC000130439873 591467906 /nfs/dbraw/zinc/46/79/06/591467906.db2.gz MGCLBONSDPYSDV-LLVKDONJSA-N 0 0 247.294 2.449 10 30 BEEERN CCCCOCC(=O)O[C@@H](C)C(C)(C)C#N ZINC000130579164 591483722 /nfs/dbraw/zinc/48/37/22/591483722.db2.gz SBHAHNIHBRCTBK-JTQLQIEISA-N 0 0 227.304 2.285 10 30 BEEERN CC(C)OCCC(=O)O[C@@H](C)C(C)(C)C#N ZINC000131339652 591597831 /nfs/dbraw/zinc/59/78/31/591597831.db2.gz QIBIWYIZQJVHGO-JTQLQIEISA-N 0 0 227.304 2.283 10 30 BEEERN CSCCC(=O)O[C@@H](C)C(C)(C)C#N ZINC000131544803 591618158 /nfs/dbraw/zinc/61/81/58/591618158.db2.gz XKTGGULLJUTEHJ-QMMMGPOBSA-N 0 0 215.318 2.221 10 30 BEEERN C#C[C@@H](OC(=O)CC[C@H]1CCCCO1)C1CC1 ZINC000133954956 591870572 /nfs/dbraw/zinc/87/05/72/591870572.db2.gz QWDCQJYVWMPFSC-CHWSQXEVSA-N 0 0 236.311 2.291 10 30 BEEERN C#C[C@H](OC(=O)CC[C@@H]1CC[C@H](C)O1)C1CC1 ZINC000133937780 591870861 /nfs/dbraw/zinc/87/08/61/591870861.db2.gz CGFBYTMZLQTMLH-DRZSPHRISA-N 0 0 236.311 2.289 10 30 BEEERN C#C[C@H](OC(=O)CCc1ccoc1)C1CC1 ZINC000133942502 591870994 /nfs/dbraw/zinc/87/09/94/591870994.db2.gz CWYSMXIPHMOKBD-LBPRGKRZSA-N 0 0 218.252 2.167 10 30 BEEERN C#C[C@H](OC(=O)/C=C/c1ccco1)C1CC1 ZINC000134096502 591887351 /nfs/dbraw/zinc/88/73/51/591887351.db2.gz FKTOAXGTHHMTHT-GUOLPTJISA-N 0 0 216.236 2.248 10 30 BEEERN C#C[C@H](OC(=O)c1noc2c1CCCC2)C1CC1 ZINC000134165964 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