smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#C[C@@](C)(CC)NC[C@H](O)c1ccccc1F ZINC000384124005 710616849 /nfs/dbraw/zinc/61/68/49/710616849.db2.gz APBWDTRPDSKGIA-KBPBESRZSA-N 0 3 235.302 2.251 20 30 BEEDHN CCN(Cc1cncc(C#N)c1)C1CCC1 ZINC000721571827 710682964 /nfs/dbraw/zinc/68/29/64/710682964.db2.gz KOZUQGVFIACWDJ-UHFFFAOYSA-N 0 3 215.300 2.328 20 30 BEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001039326800 710725350 /nfs/dbraw/zinc/72/53/50/710725350.db2.gz NMBVBKIQDANTTF-KGLIPLIRSA-N 0 3 248.370 2.204 20 30 BEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001039354931 710726198 /nfs/dbraw/zinc/72/61/98/710726198.db2.gz UZVFQTPJSCUCJL-YCYRZOEZSA-N 0 3 248.370 2.204 20 30 BEEDHN CC[C@H](C[C@H](C)O)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903085079 710889796 /nfs/dbraw/zinc/88/97/96/710889796.db2.gz PPKDNSKXCIFENL-GMXVVIOVSA-N 0 3 247.342 2.153 20 30 BEEDHN C=CC(C)(C)CCCN[C@@H](C)c1cn(C)nn1 ZINC000903084886 710890025 /nfs/dbraw/zinc/89/00/25/710890025.db2.gz LTUWDQGVDANEGC-NSHDSACASA-N 0 3 236.363 2.458 20 30 BEEDHN N#CC1(CN[C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000903108973 710892331 /nfs/dbraw/zinc/89/23/31/710892331.db2.gz JKHQBUYUYALZGI-CHWSQXEVSA-N 0 3 234.343 2.227 20 30 BEEDHN C=C(C)CN(CC)C/C=C/C(=O)OCC ZINC000382523306 710945919 /nfs/dbraw/zinc/94/59/19/710945919.db2.gz CIFDQRALRIFWDJ-BQYQJAHWSA-N 0 3 211.305 2.004 20 30 BEEDHN C=CCN(C/C=C(/C)C(=O)OC)C(C)C ZINC000383886730 710986093 /nfs/dbraw/zinc/98/60/93/710986093.db2.gz HDAIDZMMCCAGKQ-XFFZJAGNSA-N 0 3 211.305 2.002 20 30 BEEDHN COc1cccc(CN(C)CCO[C@H](C)C#N)c1 ZINC000385473427 711012685 /nfs/dbraw/zinc/01/26/85/711012685.db2.gz HEHGRZKXEMKWMK-GFCCVEGCSA-N 0 3 248.326 2.056 20 30 BEEDHN C=CCN1C[C@@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001071415605 711191345 /nfs/dbraw/zinc/19/13/45/711191345.db2.gz BYVGPLIILJVPQP-OCCSQVGLSA-N 0 3 248.370 2.252 20 30 BEEDHN C=C(Cl)CNC[C@H](OC)[C@@H](C)CC ZINC000394425440 711191759 /nfs/dbraw/zinc/19/17/59/711191759.db2.gz BNBUPIRQVQCHSW-WPRPVWTQSA-N 0 3 205.729 2.390 20 30 BEEDHN C=C[C@H](CO)N[C@@H]1CCc2cc(C)ccc21 ZINC000381420585 710635314 /nfs/dbraw/zinc/63/53/14/710635314.db2.gz XGJGZACJJNLZJC-TZMCWYRMSA-N 0 3 217.312 2.119 20 30 BEEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C ZINC001039354930 710725899 /nfs/dbraw/zinc/72/58/99/710725899.db2.gz UZVFQTPJSCUCJL-KYYFYTAESA-N 0 3 248.370 2.204 20 30 BEEDHN C=CCNN=C(CC)c1cccc(N)c1 ZINC000382111863 710787555 /nfs/dbraw/zinc/78/75/55/710787555.db2.gz KSSHUAXWXMFSPI-UHFFFAOYSA-N 0 3 203.289 2.159 20 30 BEEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCCCC ZINC000384222876 710835476 /nfs/dbraw/zinc/83/54/76/710835476.db2.gz TVMYNDNVQLZXFS-OCCSQVGLSA-N 0 3 238.375 2.073 20 30 BEEDHN CC(C)(C#N)CN[C@H]1CCC12CCOCC2 ZINC000903102399 710890680 /nfs/dbraw/zinc/89/06/80/710890680.db2.gz YAZMEZTVMWLDIT-NSHDSACASA-N 0 3 222.332 2.085 20 30 BEEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CC1 ZINC001049488919 710900464 /nfs/dbraw/zinc/90/04/64/710900464.db2.gz CURIBHVIVCRVGV-STQMWFEESA-N 0 3 248.370 2.038 20 30 BEEDHN C=CCN1C[C@@H]2CCCN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001050012246 710950224 /nfs/dbraw/zinc/95/02/24/710950224.db2.gz BWIYSVVXIOSINI-ODYZYYDOSA-N 0 3 248.370 2.061 20 30 BEEDHN CO[C@H]1CC[C@H]1N(C)Cc1ccc(C#N)cc1 ZINC000724160458 711565131 /nfs/dbraw/zinc/56/51/31/711565131.db2.gz RYAHABWWOFLIMQ-KGLIPLIRSA-N 0 3 230.311 2.167 20 30 BEEDHN CO[C@H]1CC[C@@H]1N(C)Cc1ccc(C#N)cc1 ZINC000724160457 711565495 /nfs/dbraw/zinc/56/54/95/711565495.db2.gz RYAHABWWOFLIMQ-KBPBESRZSA-N 0 3 230.311 2.167 20 30 BEEDHN C#C[C@H]1CCCCN1C[C@H]1CC2(CCC2)CO1 ZINC000934518526 711591158 /nfs/dbraw/zinc/59/11/58/711591158.db2.gz JMPMAMUHQHLJSL-UONOGXRCSA-N 0 3 233.355 2.433 20 30 BEEDHN C=C1CCC(CNCc2cn(CC)nn2)CC1 ZINC000724585537 711595851 /nfs/dbraw/zinc/59/58/51/711595851.db2.gz GKRZRBWHBODOBC-UHFFFAOYSA-N 0 3 234.347 2.134 20 30 BEEDHN CCC[C@]1(NCc2cncc(C#N)c2)CCOC1 ZINC000721544123 711621008 /nfs/dbraw/zinc/62/10/08/711621008.db2.gz JSIVYNYPBPSOLT-AWEZNQCLSA-N 0 3 245.326 2.002 20 30 BEEDHN Cc1cc(N(C)C)ccc1C=NNC[C@H](C)C#N ZINC000841634248 711623623 /nfs/dbraw/zinc/62/36/23/711623623.db2.gz WSDQVNCPRXCYQY-LLVKDONJSA-N 0 3 244.342 2.144 20 30 BEEDHN C[C@H]1CCN(Cc2cncc(C#N)c2)[C@H]1C ZINC000721597281 711656741 /nfs/dbraw/zinc/65/67/41/711656741.db2.gz JZNMFQSRVNZIHT-QWRGUYRKSA-N 0 3 215.300 2.184 20 30 BEEDHN C#CCCCN1CCOc2ccccc2C1 ZINC000161103444 711810694 /nfs/dbraw/zinc/81/06/94/711810694.db2.gz ZSEYKMHNEFPIKP-UHFFFAOYSA-N 0 3 215.296 2.294 20 30 BEEDHN C[C@H](CC#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000596782976 711833324 /nfs/dbraw/zinc/83/33/24/711833324.db2.gz KNKKRIHCAVHPOM-LLVKDONJSA-N 0 3 245.326 2.236 20 30 BEEDHN CO[C@@H]([C@H](C)NCC#Cc1ccccc1)C1CC1 ZINC000388288778 711861814 /nfs/dbraw/zinc/86/18/14/711861814.db2.gz TZFRIPAAEMWPLZ-BBRMVZONSA-N 0 3 243.350 2.441 20 30 BEEDHN Cc1ccc(CN2CCOC[C@@H](C)C2)cc1C#N ZINC000700705250 712003728 /nfs/dbraw/zinc/00/37/28/712003728.db2.gz UABUAAKEFQMOIW-LBPRGKRZSA-N 0 3 244.338 2.335 20 30 BEEDHN C=C(Br)CN[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000701023967 712012407 /nfs/dbraw/zinc/01/24/07/712012407.db2.gz FQUNIRVCXJDINW-JXUBOQSCSA-N 0 3 248.164 2.297 20 30 BEEDHN C=C(Br)CN[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000701023969 712012447 /nfs/dbraw/zinc/01/24/47/712012447.db2.gz FQUNIRVCXJDINW-KATARQTJSA-N 0 3 248.164 2.297 20 30 BEEDHN C=C(Cl)CN[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000701044464 712012849 /nfs/dbraw/zinc/01/28/49/712012849.db2.gz WJCFLEMTYLOCJF-IMSYWVGJSA-N 0 3 203.713 2.140 20 30 BEEDHN C=CCN1CCCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001034139678 712041516 /nfs/dbraw/zinc/04/15/16/712041516.db2.gz ALOMEWMIGNATKY-AWEZNQCLSA-N 0 3 248.370 2.109 20 30 BEEDHN C=CC[C@@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000703698620 712084307 /nfs/dbraw/zinc/08/43/07/712084307.db2.gz PJPVMOCDFJKOIR-GFCCVEGCSA-N 0 3 232.327 2.366 20 30 BEEDHN C=CC[C@H](C)NCc1nc(Br)c[nH]1 ZINC000379344416 712375219 /nfs/dbraw/zinc/37/52/19/712375219.db2.gz QHKSRIQVOYHUPW-ZETCQYMHSA-N 0 3 244.136 2.226 20 30 BEEDHN N#CC1CCN(C[C@H]2CCC3(CCC3)O2)CC1 ZINC000712382685 712428705 /nfs/dbraw/zinc/42/87/05/712428705.db2.gz DSSJAMZBEUTSTN-CYBMUJFWSA-N 0 3 234.343 2.324 20 30 BEEDHN CCCCCCCN[C@H](C)c1cn(C)nn1 ZINC000715836402 712534712 /nfs/dbraw/zinc/53/47/12/712534712.db2.gz NNMBJKQBDWWEJF-LLVKDONJSA-N 0 3 224.352 2.436 20 30 BEEDHN N#CCCNCC1C[C@H]2CC[C@@H](C1)S2 ZINC000716039457 712547691 /nfs/dbraw/zinc/54/76/91/712547691.db2.gz NYPUVIZGSRVIBT-FGWVZKOKSA-N 0 3 210.346 2.164 20 30 BEEDHN CC1(C)CO[C@@H](CCNCc2ccc(C#N)o2)C1 ZINC000717301992 712645729 /nfs/dbraw/zinc/64/57/29/712645729.db2.gz VNERPNZPOXZVNU-NSHDSACASA-N 0 3 248.326 2.446 20 30 BEEDHN C=CCC1(O)CCN(Cc2cccc(O)c2)CC1 ZINC000717422837 712657951 /nfs/dbraw/zinc/65/79/51/712657951.db2.gz GZHAEUYHORFXIL-UHFFFAOYSA-N 0 3 247.338 2.295 20 30 BEEDHN C=CCC1(O)CCN(Cc2ccc(C)o2)CC1 ZINC000717424948 712658341 /nfs/dbraw/zinc/65/83/41/712658341.db2.gz QLJPRCASBNILMC-UHFFFAOYSA-N 0 3 235.327 2.491 20 30 BEEDHN CC#CC[C@H](CO)NCc1coc2ccccc12 ZINC000717759186 712673935 /nfs/dbraw/zinc/67/39/35/712673935.db2.gz GYXIUCUVKYPJOM-CYBMUJFWSA-N 0 3 243.306 2.297 20 30 BEEDHN C[C@@H]1C[C@@H](NCC#Cc2ccccc2)[C@@H](C)O1 ZINC000384845819 712701373 /nfs/dbraw/zinc/70/13/73/712701373.db2.gz DZABYSKKMXAZHD-UMVBOHGHSA-N 0 3 229.323 2.194 20 30 BEEDHN C=CCN(C)CCNC(=O)CC(C)(C)C1CC1 ZINC001480861446 956893037 /nfs/dbraw/zinc/89/30/37/956893037.db2.gz GJXKSCDXRXPRKU-UHFFFAOYSA-N 0 3 238.375 2.047 20 30 BEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001282449310 957245013 /nfs/dbraw/zinc/24/50/13/957245013.db2.gz JQKCNAOMEMQIKU-VXGBXAGGSA-N 0 3 238.375 2.045 20 30 BEEDHN C#C[C@](C)(CC)Nc1cc(N(C)C)nc(C)n1 ZINC001158737363 963911138 /nfs/dbraw/zinc/91/11/38/963911138.db2.gz SHLKMPJJAURUHT-CYBMUJFWSA-N 0 3 232.331 2.065 20 30 BEEDHN C#C[C@H](C)NCc1cncc2ccccc21 ZINC000166528596 965198475 /nfs/dbraw/zinc/19/84/75/965198475.db2.gz NTHSRXUGGXEKRR-NSHDSACASA-N 0 3 210.280 2.346 20 30 BEEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001206687397 968434949 /nfs/dbraw/zinc/43/49/49/968434949.db2.gz WQPVDPSZNUPYBU-YNEHKIRRSA-N 0 3 238.375 2.045 20 30 BEEDHN CC#CCCNCc1csc(C#N)c1 ZINC001659288071 1165997764 /nfs/dbraw/zinc/99/77/64/1165997764.db2.gz ABPKWLFBPFBRLV-UHFFFAOYSA-N 0 3 204.298 2.123 20 30 BEEDHN C=CCC[C@@H](O)CNCc1cc(Cl)ccn1 ZINC001252589237 968845539 /nfs/dbraw/zinc/84/55/39/968845539.db2.gz LPRHEVOASVDROE-GFCCVEGCSA-N 0 3 240.734 2.152 20 30 BEEDHN C=CCC[C@@H](O)CNCc1ccccc1OC ZINC001252587942 968842267 /nfs/dbraw/zinc/84/22/67/968842267.db2.gz YPGYQVPVXBQCST-CYBMUJFWSA-N 0 3 235.327 2.112 20 30 BEEDHN C=CCC[C@@H](O)CNc1cc(OC)c(C)cn1 ZINC001252593217 968850799 /nfs/dbraw/zinc/85/07/99/968850799.db2.gz DHYJSRWKEXTYTH-LLVKDONJSA-N 0 3 236.315 2.138 20 30 BEEDHN C=C[C@H](O)CN(CC)Cc1ccccc1F ZINC001253584605 969259459 /nfs/dbraw/zinc/25/94/59/969259459.db2.gz OEDXRVSSSBMLDC-LBPRGKRZSA-N 0 3 223.291 2.195 20 30 BEEDHN CCCN(CCC#N)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036661 969355209 /nfs/dbraw/zinc/35/52/09/969355209.db2.gz PNVRXDPKZDYMAY-NEPJUHHUSA-N 0 3 239.319 2.057 20 30 BEEDHN CC(C)(C)[C@H](O)CNC1(CC#N)CCCC1 ZINC001253748211 969363562 /nfs/dbraw/zinc/36/35/62/969363562.db2.gz CMRSWEHZUYRBFW-LLVKDONJSA-N 0 3 224.348 2.209 20 30 BEEDHN C=CCN(c1cccc(N)n1)C(C)(C)C ZINC000168384711 1166401766 /nfs/dbraw/zinc/40/17/66/1166401766.db2.gz NMOVKSHSKWTCAC-UHFFFAOYSA-N 0 3 205.305 2.455 20 30 BEEDHN C=CCCCCCN1C[C@@H](F)C[C@H](CO)C1 ZINC001209423194 969493677 /nfs/dbraw/zinc/49/36/77/969493677.db2.gz JCVJTAFUTCSWJV-STQMWFEESA-N 0 3 229.339 2.385 20 30 BEEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(C)=O ZINC001752130400 1166507567 /nfs/dbraw/zinc/50/75/67/1166507567.db2.gz GGBHHFARDSCPNJ-ZYHUDNBSSA-N 0 3 244.766 2.118 20 30 BEEDHN CCN(CCC#N)CC1C[C@@H](C)O[C@H](C)C1 ZINC000724861637 1166536739 /nfs/dbraw/zinc/53/67/39/1166536739.db2.gz CTARBPVOVSBVOQ-VXGBXAGGSA-N 0 3 224.348 2.426 20 30 BEEDHN COc1cc(CNCCCC#N)ccc1F ZINC000309915076 1166664486 /nfs/dbraw/zinc/66/44/86/1166664486.db2.gz OVCKGKZQKOIIEM-UHFFFAOYSA-N 0 3 222.263 2.228 20 30 BEEDHN C[C@H](CC(F)(F)F)NCc1ccc(C#N)nc1 ZINC001255645081 970422401 /nfs/dbraw/zinc/42/24/01/970422401.db2.gz ZYWDGOFYSONDOO-MRVPVSSYSA-N 0 3 243.232 2.384 20 30 BEEDHN C=C(C)CCC(=O)NC[C@H](C)NC[C@@H](F)CC ZINC001752876892 1166947253 /nfs/dbraw/zinc/94/72/53/1166947253.db2.gz IPDZFZQRLVLHDJ-RYUDHWBXSA-N 0 3 244.354 2.185 20 30 BEEDHN CCSC[C@@H](C)NCc1cc(C#N)co1 ZINC001173302122 975201521 /nfs/dbraw/zinc/20/15/21/975201521.db2.gz OTDLUYFKNPHVRS-SECBINFHSA-N 0 3 224.329 2.382 20 30 BEEDHN C=C(C)CN(CC)Cc1cccc(N)n1 ZINC000308839213 1167205121 /nfs/dbraw/zinc/20/51/21/1167205121.db2.gz MQZHITMMOWOMMV-UHFFFAOYSA-N 0 3 205.305 2.062 20 30 BEEDHN C=C[C@@H](COC)NC/C=C\c1ccccc1 ZINC000309421584 1167303779 /nfs/dbraw/zinc/30/37/79/1167303779.db2.gz DQSQLRBNGYMTFS-YHAOYDPOSA-N 0 3 217.312 2.490 20 30 BEEDHN C[C@H](CC#N)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000309448446 1167307694 /nfs/dbraw/zinc/30/76/94/1167307694.db2.gz LXYNPTSQLXWZIT-WOPDTQHZSA-N 0 3 224.348 2.472 20 30 BEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230812682 977334552 /nfs/dbraw/zinc/33/45/52/977334552.db2.gz YJUCUZMJZGIKAT-QWHCGFSZSA-N 0 3 238.375 2.141 20 30 BEEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795458 977335409 /nfs/dbraw/zinc/33/54/09/977335409.db2.gz MWHFISSADNIYOT-CYBMUJFWSA-N 0 3 238.375 2.285 20 30 BEEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCC=C ZINC001231179998 977522827 /nfs/dbraw/zinc/52/28/27/977522827.db2.gz YQPMWGKSZDLLJX-CYBMUJFWSA-N 0 3 236.359 2.061 20 30 BEEDHN CN(Cc1cc(C#N)ccn1)C[C@@H]1CC1(C)C ZINC001232478192 978127481 /nfs/dbraw/zinc/12/74/81/978127481.db2.gz HSNGVHFOAMAZLO-LBPRGKRZSA-N 0 3 229.327 2.431 20 30 BEEDHN C#CC[C@H](C)Oc1cccc2c1CCN(C)C2 ZINC001234424482 1167762779 /nfs/dbraw/zinc/76/27/79/1167762779.db2.gz QUHMEUQTFHHORO-LBPRGKRZSA-N 0 3 229.323 2.465 20 30 BEEDHN C=CCN(C)Cc1ccccc1CC#N ZINC001235530323 979070963 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SJFASXHLZKDGMC-UHFFFAOYSA-N 0 3 209.333 2.289 20 30 BEEDHN C=C(C)CCNCc1ccn(C(F)F)n1 ZINC000449470176 388212445 /nfs/dbraw/zinc/21/24/45/388212445.db2.gz AFHQSMUKUCIWLU-UHFFFAOYSA-N 0 3 215.247 2.334 20 30 BEEDHN C=C[C@H]1CCCCN1C[C@H](O)CC(F)(F)F ZINC000489473925 388217738 /nfs/dbraw/zinc/21/77/38/388217738.db2.gz JKTQILVOGFBIFX-VHSXEESVSA-N 0 3 237.265 2.340 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(C)c1 ZINC000449517304 388222354 /nfs/dbraw/zinc/22/23/54/388222354.db2.gz FDWOOQXTTFTLAR-KGLIPLIRSA-N 0 3 217.312 2.428 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1sc(C)nc1C ZINC000449518416 388222579 /nfs/dbraw/zinc/22/25/79/388222579.db2.gz JOWOIDBXURJJCO-MNOVXSKESA-N 0 3 238.356 2.193 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccn1 ZINC000449520812 388223195 /nfs/dbraw/zinc/22/31/95/388223195.db2.gz QKCVCLUATDQIML-RTXFEEFZSA-N 0 3 218.300 2.076 20 30 BEEDHN C=C(CC)CNC(=O)[C@@H](CC)N(CC)CC ZINC000456809801 388223434 /nfs/dbraw/zinc/22/34/34/388223434.db2.gz CKPWHTYWOWRUGQ-GFCCVEGCSA-N 0 3 226.364 2.189 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2cccnc2o1 ZINC000449521950 388223405 /nfs/dbraw/zinc/22/34/05/388223405.db2.gz UFBISKHQRWNCIX-OLZOCXBDSA-N 0 3 244.294 2.261 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)cn1 ZINC000449547581 388228822 /nfs/dbraw/zinc/22/88/22/388228822.db2.gz IWEUDPXPMSNIQJ-KGLIPLIRSA-N 0 3 232.327 2.213 20 30 BEEDHN C[C@H](NC[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000037215337 388237821 /nfs/dbraw/zinc/23/78/21/388237821.db2.gz NOXOMBXNGUGPBN-SMDDNHRTSA-N 0 3 230.311 2.388 20 30 BEEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCOC1 ZINC000490689059 388247361 /nfs/dbraw/zinc/24/73/61/388247361.db2.gz MRFBSUODYZYKEU-CQSZACIVSA-N 0 3 247.313 2.297 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000451611078 388283932 /nfs/dbraw/zinc/28/39/32/388283932.db2.gz WEMCBCGSVOWQNV-CABCVRRESA-N 0 3 245.297 2.110 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NC[C@H](OC)c1ccccc1 ZINC000451614700 388284341 /nfs/dbraw/zinc/28/43/41/388284341.db2.gz RZQYWYZDHHUKBI-ILXRZTDVSA-N 0 3 247.338 2.307 20 30 BEEDHN C#CCN(CCCOCC(F)(F)F)C1CC1 ZINC000491350620 388287305 /nfs/dbraw/zinc/28/73/05/388287305.db2.gz OQAMVYXEUMXXJS-UHFFFAOYSA-N 0 3 235.249 2.053 20 30 BEEDHN C#CC[N@@H+](Cc1ncccc1[O-])C1CCCC1 ZINC000491351380 388287648 /nfs/dbraw/zinc/28/76/48/388287648.db2.gz TVEXJBBTQAKJIH-UHFFFAOYSA-N 0 3 230.311 2.165 20 30 BEEDHN C#CC[N@H+](Cc1ncccc1[O-])C1CCCC1 ZINC000491351380 388287650 /nfs/dbraw/zinc/28/76/50/388287650.db2.gz TVEXJBBTQAKJIH-UHFFFAOYSA-N 0 3 230.311 2.165 20 30 BEEDHN C#CCN(CCCC1CCOCC1)C1CC1 ZINC000491349555 388287760 /nfs/dbraw/zinc/28/77/60/388287760.db2.gz IWWLACZUKFYKFH-UHFFFAOYSA-N 0 3 221.344 2.291 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCC#Cc1ccccc1 ZINC000451682707 388289721 /nfs/dbraw/zinc/28/97/21/388289721.db2.gz PSCINAFZYRFPLI-CVEARBPZSA-N 0 3 241.334 2.361 20 30 BEEDHN N#CC1(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CCC1 ZINC000451696174 388290255 /nfs/dbraw/zinc/29/02/55/388290255.db2.gz FWHZUAWPXBYWMY-RDBSUJKOSA-N 0 3 248.370 2.163 20 30 BEEDHN N#CC1(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CCC1 ZINC000451696171 388290519 /nfs/dbraw/zinc/29/05/19/388290519.db2.gz FWHZUAWPXBYWMY-HZSPNIEDSA-N 0 3 248.370 2.163 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1cc2ccccc2[nH]c1=O ZINC000491425518 388293767 /nfs/dbraw/zinc/29/37/67/388293767.db2.gz ACOQRRJGZXQTKD-LLVKDONJSA-N 0 3 240.306 2.394 20 30 BEEDHN C#C[C@H](CC)NCc1ccc(N2CCCC2)nc1 ZINC000491439209 388294962 /nfs/dbraw/zinc/29/49/62/388294962.db2.gz IIOKTCNSQDUUMT-CQSZACIVSA-N 0 3 243.354 2.183 20 30 BEEDHN C=C(CC)CN1CCN([C@@H](C)CC)CC1 ZINC000451846872 388300414 /nfs/dbraw/zinc/30/04/14/388300414.db2.gz RVQLGRHRQQVDLL-ZDUSSCGKSA-N 0 3 210.365 2.369 20 30 BEEDHN C#CCN[C@H]1CCCN(C)c2ccccc21 ZINC000491537077 388302143 /nfs/dbraw/zinc/30/21/43/388302143.db2.gz OCEVYEWNJZHFSO-ZDUSSCGKSA-N 0 3 214.312 2.181 20 30 BEEDHN C#C[C@H](C)N(C)Cc1ccc(NC(C)=O)cc1 ZINC000491536398 388302232 /nfs/dbraw/zinc/30/22/32/388302232.db2.gz JLLUOHUBDMNPJM-NSHDSACASA-N 0 3 230.311 2.099 20 30 BEEDHN C#CCN(Cc1ccc2[nH]cnc2c1)C1CC1 ZINC000491543217 388302573 /nfs/dbraw/zinc/30/25/73/388302573.db2.gz FEYOINBQKJJECK-UHFFFAOYSA-N 0 3 225.295 2.161 20 30 BEEDHN C#CCN(Cc1ccc2nc[nH]c2c1)C1CC1 ZINC000491543217 388302574 /nfs/dbraw/zinc/30/25/74/388302574.db2.gz FEYOINBQKJJECK-UHFFFAOYSA-N 0 3 225.295 2.161 20 30 BEEDHN C#CCN(CCCC1(C#N)CCOCC1)C1CC1 ZINC000491555847 388303568 /nfs/dbraw/zinc/30/35/68/388303568.db2.gz UKILZFONDIXQIN-UHFFFAOYSA-N 0 3 246.354 2.185 20 30 BEEDHN C#CCN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000491689599 388311053 /nfs/dbraw/zinc/31/10/53/388311053.db2.gz JBVCNEOQJJNFJK-LBPRGKRZSA-N 0 3 235.352 2.175 20 30 BEEDHN C#C[C@H](CC)N[C@@H](COC)Cc1ccccc1 ZINC000491701116 388312493 /nfs/dbraw/zinc/31/24/93/388312493.db2.gz DZBLDEPPWGNVQF-HUUCEWRRSA-N 0 3 231.339 2.246 20 30 BEEDHN C#C[C@H](CC)NCC1=Cc2ccccc2OC1 ZINC000491701044 388312657 /nfs/dbraw/zinc/31/26/57/388312657.db2.gz GWFUQIBVXXGEQZ-CQSZACIVSA-N 0 3 227.307 2.464 20 30 BEEDHN C#C[C@H](C)N(C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000491710594 388313752 /nfs/dbraw/zinc/31/37/52/388313752.db2.gz UQKXSSCVIPXGRM-GUTXKFCHSA-N 0 3 231.339 2.105 20 30 BEEDHN C#CCN(C)C[C@H]1CCCCC1(F)F ZINC000491785482 388321077 /nfs/dbraw/zinc/32/10/77/388321077.db2.gz SIOVMFDMEHBXJX-SNVBAGLBSA-N 0 3 201.260 2.377 20 30 BEEDHN C#C[C@H](C)N(C)CCC(=O)Nc1cccc(F)c1 ZINC000491812848 388322995 /nfs/dbraw/zinc/32/29/95/388322995.db2.gz ORKAXIMVONVAGZ-NSHDSACASA-N 0 3 248.301 2.108 20 30 BEEDHN C[C@@]12CN(CC3(C#N)CC3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451379056 388267741 /nfs/dbraw/zinc/26/77/41/388267741.db2.gz YTCLPAPEVVWOER-RFGFWPKPSA-N 0 3 228.339 2.434 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1ccc(COC)cc1 ZINC000491069629 388268051 /nfs/dbraw/zinc/26/80/51/388268051.db2.gz XPIMPVBFHWGJMC-GFCCVEGCSA-N 0 3 217.312 2.287 20 30 BEEDHN CC(C)(C#N)CCCN1CC[C@](O)(C(F)F)C1 ZINC000451435362 388273356 /nfs/dbraw/zinc/27/33/56/388273356.db2.gz RAURFJZDIDWBOS-GFCCVEGCSA-N 0 3 246.301 2.018 20 30 BEEDHN C#CCN(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000491192474 388275462 /nfs/dbraw/zinc/27/54/62/388275462.db2.gz OTKMDYRXSYXTSX-KGLIPLIRSA-N 0 3 231.339 2.106 20 30 BEEDHN C#CCN(C[C@H]1CCC(C)(C)O1)C1CC1 ZINC000491240767 388279147 /nfs/dbraw/zinc/27/91/47/388279147.db2.gz CPCRYBRQEMGVSX-GFCCVEGCSA-N 0 3 207.317 2.042 20 30 BEEDHN C#CCN(C[C@@H]1CCC(C)(C)O1)C1CC1 ZINC000491240768 388279364 /nfs/dbraw/zinc/27/93/64/388279364.db2.gz CPCRYBRQEMGVSX-LBPRGKRZSA-N 0 3 207.317 2.042 20 30 BEEDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccc(C#N)cc1 ZINC000226595358 388353537 /nfs/dbraw/zinc/35/35/37/388353537.db2.gz VUIYXXQKTZNXES-LEWSCRJBSA-N 0 3 244.338 2.368 20 30 BEEDHN C=CCOc1ccc(CN2CC[C@@H](O)[C@H]2C)cc1 ZINC000648799609 388370957 /nfs/dbraw/zinc/37/09/57/388370957.db2.gz DNXKUZGXSVDYPA-IUODEOHRSA-N 0 3 247.338 2.207 20 30 BEEDHN CC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000171648135 388405622 /nfs/dbraw/zinc/40/56/22/388405622.db2.gz HNJKJVAQFSEDJO-HNNXBMFYSA-N 0 3 244.338 2.294 20 30 BEEDHN C=CCCO[C@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646579814 388388295 /nfs/dbraw/zinc/38/82/95/388388295.db2.gz QEUXWMUUBAEYQU-LLVKDONJSA-N 0 3 248.326 2.065 20 30 BEEDHN CCN(C)CCNc1c(F)cc(C#N)cc1F ZINC000133613441 388388481 /nfs/dbraw/zinc/38/84/81/388388481.db2.gz FGKRRPFWTXLPPQ-UHFFFAOYSA-N 0 3 239.269 2.200 20 30 BEEDHN C[C@@H]1C[C@H](CNCc2ccc(C#N)o2)CCO1 ZINC000271504377 388391805 /nfs/dbraw/zinc/39/18/05/388391805.db2.gz OJWRBPJXEXNWOD-GHMZBOCLSA-N 0 3 234.299 2.056 20 30 BEEDHN CC[C@](C)(CNCc1cccc(C#N)c1)OC ZINC000322784206 388446890 /nfs/dbraw/zinc/44/68/90/388446890.db2.gz LVQBCFHFHAVERU-CQSZACIVSA-N 0 3 232.327 2.463 20 30 BEEDHN CC[C@@](C)(CNCc1cccc(C#N)c1)OC ZINC000322784205 388446988 /nfs/dbraw/zinc/44/69/88/388446988.db2.gz LVQBCFHFHAVERU-AWEZNQCLSA-N 0 3 232.327 2.463 20 30 BEEDHN CC1(O)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000335990266 388454872 /nfs/dbraw/zinc/45/48/72/388454872.db2.gz YXCMJDRTPPGQOW-UHFFFAOYSA-N 0 3 244.338 2.099 20 30 BEEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000335827449 388455747 /nfs/dbraw/zinc/45/57/47/388455747.db2.gz KLWFIBMWUZAMIW-WDEREUQCSA-N 0 3 216.284 2.366 20 30 BEEDHN C=C(C)[C@@H](CO)N(C)Cc1cccs1 ZINC000649237544 388465309 /nfs/dbraw/zinc/46/53/09/388465309.db2.gz VDFKZSFKSBFSSL-LLVKDONJSA-N 0 3 211.330 2.117 20 30 BEEDHN CO[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000170819665 388468816 /nfs/dbraw/zinc/46/88/16/388468816.db2.gz VIDRNZZBWVYDSM-AWEZNQCLSA-N 0 3 230.311 2.169 20 30 BEEDHN C#C[C@H](NC[C@H](O)c1ccc(F)cc1)C(C)C ZINC000309996127 388471825 /nfs/dbraw/zinc/47/18/25/388471825.db2.gz ZBOSUPVTJMVDLD-KBPBESRZSA-N 0 3 235.302 2.107 20 30 BEEDHN C#C[C@@H](NC[C@H](O)c1ccc(F)cc1)C(C)C ZINC000309996129 388472173 /nfs/dbraw/zinc/47/21/73/388472173.db2.gz ZBOSUPVTJMVDLD-KGLIPLIRSA-N 0 3 235.302 2.107 20 30 BEEDHN C[C@H](CCO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271986368 388417359 /nfs/dbraw/zinc/41/73/59/388417359.db2.gz YFBYHLVSAWDYDW-NXEZZACHSA-N 0 3 236.290 2.119 20 30 BEEDHN CN(Cc1ccc(C#N)o1)C[C@@H]1CCCC[C@H]1O ZINC000245972474 388435774 /nfs/dbraw/zinc/43/57/74/388435774.db2.gz OFAGDCHHROVBSK-SMDDNHRTSA-N 0 3 248.326 2.134 20 30 BEEDHN C=CCCC(=O)N(CC)C[C@H]1CCCN1CC ZINC000548453997 388539891 /nfs/dbraw/zinc/53/98/91/388539891.db2.gz HRINKFIMCNWDQG-CYBMUJFWSA-N 0 3 238.375 2.285 20 30 BEEDHN C=CCCCC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000177767731 388490946 /nfs/dbraw/zinc/49/09/46/388490946.db2.gz KESZXJFZMJBQKO-ZDUSSCGKSA-N 0 3 240.391 2.435 20 30 BEEDHN COCCN(Cc1ccc(CC#N)cc1)C1CC1 ZINC000342694604 388499434 /nfs/dbraw/zinc/49/94/34/388499434.db2.gz OGZUBCSOCXJUEN-UHFFFAOYSA-N 0 3 244.338 2.363 20 30 BEEDHN C=CCN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591121 388549994 /nfs/dbraw/zinc/54/99/94/388549994.db2.gz DBVJOPAXNLYDRG-UHFFFAOYSA-N 0 3 231.343 2.318 20 30 BEEDHN C[C@H](O)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000136314892 388530496 /nfs/dbraw/zinc/53/04/96/388530496.db2.gz DJGGYXNIZBMASU-WFASDCNBSA-N 0 3 244.338 2.151 20 30 BEEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000185667765 388590355 /nfs/dbraw/zinc/59/03/55/388590355.db2.gz GQFOOKXLENYVOO-CHWSQXEVSA-N 0 3 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233.315 2.045 20 30 BEEDHN CCN1CCC(=NO[C@H]2CCCCO2)[C@@H](C)C1 ZINC000755820715 585307971 /nfs/dbraw/zinc/30/79/71/585307971.db2.gz DYORICJFSINOPI-AAEUAGOBSA-N 0 3 240.347 2.247 20 30 BEEDHN Cc1ccnc(N=NC2CN(C3CC3)C[C@H]2C)c1 ZINC000755902445 585309736 /nfs/dbraw/zinc/30/97/36/585309736.db2.gz MEEMJVMNSPGGJS-LLVKDONJSA-N 0 3 244.342 2.272 20 30 BEEDHN C=C(Cl)CN1CCC2(CCOC2)CC1 ZINC000839533364 585328979 /nfs/dbraw/zinc/32/89/79/585328979.db2.gz IKJBZVOYSGXKET-UHFFFAOYSA-N 0 3 215.724 2.241 20 30 BEEDHN N#CC1(CCN2C[C@@H]3C[C@]3(CO)C2)CCCCC1 ZINC000839574749 585330511 /nfs/dbraw/zinc/33/05/11/585330511.db2.gz OTYOHCYYDASXRQ-DZGCQCFKSA-N 0 3 248.370 2.165 20 30 BEEDHN C=C(Cl)CN1CCC[C@]1(CO)CCC ZINC000839584484 585331037 /nfs/dbraw/zinc/33/10/37/585331037.db2.gz UPWUHSWPURTQNZ-NSHDSACASA-N 0 3 217.740 2.366 20 30 BEEDHN C=C(Cl)CN1CCC[C@@H]2COCC[C@H]21 ZINC000757406409 585334924 /nfs/dbraw/zinc/33/49/24/585334924.db2.gz VOEYMBXOQWBTIS-GHMZBOCLSA-N 0 3 215.724 2.240 20 30 BEEDHN C#CC[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000757613178 585342934 /nfs/dbraw/zinc/34/29/34/585342934.db2.gz CRDURHRUYUWSFS-YPMHNXCESA-N 0 3 226.279 2.027 20 30 BEEDHN C[C@@H]1C[C@H]1C=Nn1cnnc1-c1ccccc1 ZINC000758374249 585355353 /nfs/dbraw/zinc/35/53/53/585355353.db2.gz PRTMONRNGHKGBH-PWSUYJOCSA-N 0 3 226.283 2.435 20 30 BEEDHN CC(C)[C@H]1CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000759073430 585363897 /nfs/dbraw/zinc/36/38/97/585363897.db2.gz YMDQLVKMRPZOTQ-HUUCEWRRSA-N 0 3 244.338 2.322 20 30 BEEDHN C#CCCCC(=O)Nc1ccccc1CN(C)C ZINC000760115916 585385788 /nfs/dbraw/zinc/38/57/88/585385788.db2.gz ZZRIMWKQYIVGCS-UHFFFAOYSA-N 0 3 244.338 2.490 20 30 BEEDHN C#CCCN(CCOC)Cc1ccc(F)cc1 ZINC000760818007 585397077 /nfs/dbraw/zinc/39/70/77/585397077.db2.gz DOWGNMCSJMMSHJ-UHFFFAOYSA-N 0 3 235.302 2.297 20 30 BEEDHN C#CCCN1CCN(C2CCC(C)CC2)CC1 ZINC000760841658 585398945 /nfs/dbraw/zinc/39/89/45/585398945.db2.gz XXFAKIIBNJMSMS-UHFFFAOYSA-N 0 3 234.387 2.206 20 30 BEEDHN C#CCCN[C@H](Cn1cccn1)c1ccccc1 ZINC000760864307 585400229 /nfs/dbraw/zinc/40/02/29/585400229.db2.gz ZOZJLSVCFSHVRR-OAHLLOKOSA-N 0 3 239.322 2.237 20 30 BEEDHN CC(C)CC1CCN(C(=O)C(C)C#N)CC1 ZINC000760940282 585402198 /nfs/dbraw/zinc/40/21/98/585402198.db2.gz OOOXQVRSRVAECX-LLVKDONJSA-N 0 3 222.332 2.431 20 30 BEEDHN Cc1ccc(N=NC2C[C@@H](C)N(C)C2)cc1 ZINC000761795360 585418758 /nfs/dbraw/zinc/41/87/58/585418758.db2.gz ZICJSHXNZALNBF-LLVKDONJSA-N 0 3 217.316 2.487 20 30 BEEDHN C[C@H]1CC(N=Nc2cccc(C#N)c2)CN1C ZINC000761803379 585419039 /nfs/dbraw/zinc/41/90/39/585419039.db2.gz AKXVKELWMUKPCD-JTQLQIEISA-N 0 3 228.299 2.050 20 30 BEEDHN CCC(=NNC(=N)N)c1cccc(Cl)c1F ZINC000763408192 585447947 /nfs/dbraw/zinc/44/79/47/585447947.db2.gz OAEXAFYOKRDPNU-UHFFFAOYSA-N 0 3 242.685 2.076 20 30 BEEDHN C=C(CN(C)C)C(=O)N[C@H](C)CCC(C)C ZINC000764074865 585459348 /nfs/dbraw/zinc/45/93/48/585459348.db2.gz KCXUKIFVWPGMAG-GFCCVEGCSA-N 0 3 226.364 2.045 20 30 BEEDHN C=C(CN(C)C)C(=O)NCc1ccc(C)cc1C ZINC000764149259 585461085 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QUUCVWSGPAISPI-LBPRGKRZSA-N 0 3 244.329 2.061 20 30 BEEDHN C#CCCCN1CCN(CC(F)F)[C@H](CC)C1 ZINC000766941764 585512274 /nfs/dbraw/zinc/51/22/74/585512274.db2.gz QUUCVWSGPAISPI-GFCCVEGCSA-N 0 3 244.329 2.061 20 30 BEEDHN CC1(C)C(N=NC(=N)N)C[C@@H]1c1ccccc1 ZINC000768486770 585539327 /nfs/dbraw/zinc/53/93/27/585539327.db2.gz RGCSOPWDZMSQIG-SNVBAGLBSA-N 0 3 230.315 2.039 20 30 BEEDHN C=CCN(Cc1cn(C)nc1C)C(C)C ZINC000768548150 585540265 /nfs/dbraw/zinc/54/02/65/585540265.db2.gz XAQGMTKDZAPIOH-UHFFFAOYSA-N 0 3 207.321 2.125 20 30 BEEDHN C#C[C@@H](C)N(C)CCOCc1ccc(OC)cc1 ZINC000769961609 585567571 /nfs/dbraw/zinc/56/75/71/585567571.db2.gz RXENQNJKDCLDQV-CYBMUJFWSA-N 0 3 247.338 2.165 20 30 BEEDHN C#C[C@H](C)N(C)C[C@@H](O)CCCCCC ZINC000769978269 585568359 /nfs/dbraw/zinc/56/83/59/585568359.db2.gz VAAWRKBYMOWRGY-STQMWFEESA-N 0 3 211.349 2.271 20 30 BEEDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000770672565 585579381 /nfs/dbraw/zinc/57/93/81/585579381.db2.gz AIQQTIWULXCXSO-JQWIXIFHSA-N 0 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ZINC000286066072 353556435 /nfs/dbraw/zinc/55/64/35/353556435.db2.gz JHFFOXDUZKHHSC-HOTGVXAUSA-N 0 3 243.350 2.179 20 30 BEEDHN C=C(C)CCN(CCOC)Cc1ccccn1 ZINC000287221696 353573874 /nfs/dbraw/zinc/57/38/74/353573874.db2.gz FNPBDTISGNKCAA-UHFFFAOYSA-N 0 3 234.343 2.496 20 30 BEEDHN C=C[C@@H](CO)N[C@H](CC)c1ccc(OC)cc1 ZINC000289625851 353623006 /nfs/dbraw/zinc/62/30/06/353623006.db2.gz DYVXIKXXTMQEOO-GXTWGEPZSA-N 0 3 235.327 2.283 20 30 BEEDHN C#C[C@@H](NCc1cnn(C(C)C)c1)C(C)C ZINC000289657953 353624281 /nfs/dbraw/zinc/62/42/81/353624281.db2.gz YKPRDHGFJBDPQK-CYBMUJFWSA-N 0 3 219.332 2.211 20 30 BEEDHN C#C[C@@H](C)NCc1ccc(OC)c(COCC)c1 ZINC000289370616 353627161 /nfs/dbraw/zinc/62/71/61/353627161.db2.gz LLEPEUVBWDSQOQ-GFCCVEGCSA-N 0 3 247.338 2.343 20 30 BEEDHN COC1CCC(N(C)CC2(C#N)CC2)CC1 ZINC000343313415 353627832 /nfs/dbraw/zinc/62/78/32/353627832.db2.gz HRKMEOINCZLPDO-UHFFFAOYSA-N 0 3 222.332 2.180 20 30 BEEDHN C=CCOc1cccc(CN(C)[C@H](C)CO)c1 ZINC000289499352 353629687 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RNWVHINAYRFPBK-UHFFFAOYSA-N 0 3 232.327 2.439 20 30 BEEDHN C=CCN(CC=C)C[C@H](O)Cc1ccc(F)cc1 ZINC000293666967 353760617 /nfs/dbraw/zinc/76/06/17/353760617.db2.gz ZCHSBPBNYJBGOR-OAHLLOKOSA-N 0 3 249.329 2.403 20 30 BEEDHN CC(C#N)C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000343634892 353949456 /nfs/dbraw/zinc/94/94/56/353949456.db2.gz GARLGRJLLXORIJ-YTWAJWBKSA-N 0 3 208.305 2.087 20 30 BEEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)CCC)C1=O ZINC000343616404 353946314 /nfs/dbraw/zinc/94/63/14/353946314.db2.gz SYNJGRQGPGEIMQ-CHWSQXEVSA-N 0 3 238.375 2.141 20 30 BEEDHN CC(C#N)C(=O)N1CCc2cccc(Cl)c2C1 ZINC000334565338 354085315 /nfs/dbraw/zinc/08/53/15/354085315.db2.gz OHFUGHGQFFCGAD-SECBINFHSA-N 0 3 248.713 2.384 20 30 BEEDHN CC(C#N)C(=O)N1CCCC2(CCCC2)C1 ZINC000334573969 354103733 /nfs/dbraw/zinc/10/37/33/354103733.db2.gz RHMOCNKGYMXZFZ-NSHDSACASA-N 0 3 220.316 2.329 20 30 BEEDHN C=C(CC)CNCc1ccc([S@@](C)=O)cc1 ZINC000449729894 202011265 /nfs/dbraw/zinc/01/12/65/202011265.db2.gz CETLYKZJMCDLLG-MRXNPFEDSA-N 0 3 237.368 2.480 20 30 BEEDHN C=CCCCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000344525386 354278228 /nfs/dbraw/zinc/27/82/28/354278228.db2.gz UKBRZJYIXJBNGY-CYBMUJFWSA-N 0 3 238.375 2.333 20 30 BEEDHN N#Cc1ccc(CNCCCc2nccs2)o1 ZINC000266128209 181107790 /nfs/dbraw/zinc/10/77/90/181107790.db2.gz CBKFRWCWZWTMNJ-UHFFFAOYSA-N 0 3 247.323 2.330 20 30 BEEDHN C=CCCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000344606832 354325025 /nfs/dbraw/zinc/32/50/25/354325025.db2.gz ULWBPLYBTMTZCM-NXEZZACHSA-N 0 3 237.265 2.340 20 30 BEEDHN N#Cc1ccc(CNC[C@H]2CCCSC2)o1 ZINC000288490570 181109237 /nfs/dbraw/zinc/10/92/37/181109237.db2.gz QUVVDSPNQVJKIC-SNVBAGLBSA-N 0 3 236.340 2.384 20 30 BEEDHN N#Cc1ccc(CN[C@@H]2CCCOCC2)c(F)c1 ZINC000271275683 181109340 /nfs/dbraw/zinc/10/93/40/181109340.db2.gz BIZJOHZJAURPLK-CYBMUJFWSA-N 0 3 248.301 2.356 20 30 BEEDHN N#Cc1ccc(CN[C@H](CO)CC2CCCC2)o1 ZINC000337795879 181110109 /nfs/dbraw/zinc/11/01/09/181110109.db2.gz FXRZYMOIVOXDEI-LBPRGKRZSA-N 0 3 248.326 2.182 20 30 BEEDHN N#Cc1ccc(CN[C@H]2CC=CCC2)o1 ZINC000135486725 181110182 /nfs/dbraw/zinc/11/01/82/181110182.db2.gz ZULXQYGCHDJFTP-JTQLQIEISA-N 0 3 202.257 2.350 20 30 BEEDHN N#Cc1ccc(CN2CC[C@H](O)C23CCCC3)o1 ZINC000294026538 181105459 /nfs/dbraw/zinc/10/54/59/181105459.db2.gz VICPBOPZAIFVSB-ZDUSSCGKSA-N 0 3 246.310 2.031 20 30 BEEDHN N#Cc1ccc(F)c(CNCC2CC2)c1 ZINC000020037532 181113195 /nfs/dbraw/zinc/11/31/95/181113195.db2.gz XDTZFMWKDYCLRW-UHFFFAOYSA-N 0 3 204.248 2.197 20 30 BEEDHN CC(C#N)C(=O)N1Cc2ccccc2C[C@H]1C ZINC000334625508 354365538 /nfs/dbraw/zinc/36/55/38/354365538.db2.gz RQPAWTLNIQMTFM-GHMZBOCLSA-N 0 3 228.295 2.119 20 30 BEEDHN CC(C#N)C(=O)N1Cc2ccccc2C[C@@H]1C ZINC000334625510 354365819 /nfs/dbraw/zinc/36/58/19/354365819.db2.gz RQPAWTLNIQMTFM-QWRGUYRKSA-N 0 3 228.295 2.119 20 30 BEEDHN N#Cc1cccc(CNCCc2cscn2)c1 ZINC000111626627 181138311 /nfs/dbraw/zinc/13/83/11/181138311.db2.gz PEFUFEODQOXOAI-UHFFFAOYSA-N 0 3 243.335 2.347 20 30 BEEDHN N#Cc1cccc(CCNCc2ccccn2)c1 ZINC000341462174 181136821 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ZINC000541900467 385866763 /nfs/dbraw/zinc/86/67/63/385866763.db2.gz BIFDTPYPLWEZIH-NSHDSACASA-N 0 3 242.326 2.016 20 30 BEEDHN C[C@@H](Nc1cccc(C#N)n1)C1=CCN(C)CC1 ZINC000541900466 385871419 /nfs/dbraw/zinc/87/14/19/385871419.db2.gz BIFDTPYPLWEZIH-LLVKDONJSA-N 0 3 242.326 2.016 20 30 BEEDHN COCCCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000397238073 385947806 /nfs/dbraw/zinc/94/78/06/385947806.db2.gz ZADXDRPETJBMGB-VXGBXAGGSA-N 0 3 210.321 2.037 20 30 BEEDHN COCCCCN(C)[C@H]1CCC[C@H]1C#N ZINC000397238071 385947857 /nfs/dbraw/zinc/94/78/57/385947857.db2.gz ZADXDRPETJBMGB-RYUDHWBXSA-N 0 3 210.321 2.037 20 30 BEEDHN Cn1ncc2c1CCC[C@H]2NCC(C)(C)CC#N ZINC000414161863 386046156 /nfs/dbraw/zinc/04/61/56/386046156.db2.gz GEXMAZZOAKVORE-GFCCVEGCSA-N 0 3 246.358 2.327 20 30 BEEDHN Cc1nn(C)cc1[C@@H](C)NCC(C)(C)CC#N ZINC000414164674 386048362 /nfs/dbraw/zinc/04/83/62/386048362.db2.gz KNLVEMKJGBCLPB-SNVBAGLBSA-N 0 3 234.347 2.319 20 30 BEEDHN CC(C#N)C(=O)N[C@H]1CCSc2ccccc21 ZINC000334434417 386055045 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RBLJFPJYMFLWDA-OAHLLOKOSA-N 0 3 244.338 2.407 20 30 BEEDHN C#C[C@@](C)(CC)NC[C@H](O)Cc1ccc(F)cc1 ZINC000852103620 588663651 /nfs/dbraw/zinc/66/36/51/588663651.db2.gz MVJJSICSPIUPIA-CABCVRRESA-N 0 3 249.329 2.121 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCC=C(Cl)Cl ZINC000852136214 588666207 /nfs/dbraw/zinc/66/62/07/588666207.db2.gz HSGVPIUMLCFGDP-SFYZADRCSA-N 0 3 222.115 2.239 20 30 BEEDHN C=C(Cl)CN1CCCN(CC)C[C@@H]1C ZINC000852165665 588669053 /nfs/dbraw/zinc/66/90/53/588669053.db2.gz HCTCTXBTKYXOKR-NSHDSACASA-N 0 3 216.756 2.155 20 30 BEEDHN C#CC[C@@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000852206756 588671779 /nfs/dbraw/zinc/67/17/79/588671779.db2.gz REXFHZNWTVSQGE-GFCCVEGCSA-N 0 3 232.302 2.456 20 30 BEEDHN C#CC[C@@H]1CCCN([C@@H](C)c2n[nH]c(CC)n2)C1 ZINC000852206593 588671792 /nfs/dbraw/zinc/67/17/92/588671792.db2.gz NHVCMSHMLRZMRI-NWDGAFQWSA-N 0 3 246.358 2.163 20 30 BEEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cnon1 ZINC000852302384 588677471 /nfs/dbraw/zinc/67/74/71/588677471.db2.gz AHEIVIXGYPPSRA-PWSUYJOCSA-N 0 3 221.304 2.294 20 30 BEEDHN C#CCN1CCc2ccccc2C(C)(C)C1 ZINC000852349750 588679345 /nfs/dbraw/zinc/67/93/45/588679345.db2.gz PVLMNWVALUDKML-UHFFFAOYSA-N 0 3 213.324 2.456 20 30 BEEDHN C#CCCCN[C@H](COC)c1cccc(OC)c1 ZINC000852444289 588682649 /nfs/dbraw/zinc/68/26/49/588682649.db2.gz UNGSYMUMAJEKOY-OAHLLOKOSA-N 0 3 247.338 2.386 20 30 BEEDHN C=CCN(C[C@@H](O)c1ccccn1)C(C)(C)C ZINC000852554059 588689472 /nfs/dbraw/zinc/68/94/72/588689472.db2.gz BEOJZKYWXNFGFD-CYBMUJFWSA-N 0 3 234.343 2.402 20 30 BEEDHN N#CCOc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000852634801 588693353 /nfs/dbraw/zinc/69/33/53/588693353.db2.gz IZPQGVPFXYRWIO-ZIAGYGMSSA-N 0 3 242.322 2.431 20 30 BEEDHN CCN(CC)CC#C[C@@H](C)OC(=O)C12CC(C1)C2 ZINC000860611357 589109694 /nfs/dbraw/zinc/10/96/94/589109694.db2.gz OCWSXACXKNNWKN-DNOWBOINSA-N 0 3 249.354 2.063 20 30 BEEDHN C=CCCC(=O)OCC12CCCN(CCC1)C2 ZINC000861359082 589161439 /nfs/dbraw/zinc/16/14/39/589161439.db2.gz URGBWWBPABKPLE-UHFFFAOYSA-N 0 3 237.343 2.372 20 30 BEEDHN CCCCCCCNC(=O)[C@H](CC)N(C)C ZINC000862358551 589203101 /nfs/dbraw/zinc/20/31/01/589203101.db2.gz MSQYUBQWJTXZBW-LBPRGKRZSA-N 0 3 228.380 2.413 20 30 BEEDHN CCCCCCCNC(=O)C1CCN(C)CC1 ZINC000862358530 589203219 /nfs/dbraw/zinc/20/32/19/589203219.db2.gz MDNSVYVOYLOSKU-UHFFFAOYSA-N 0 3 240.391 2.415 20 30 BEEDHN CCCCCCCNC(=O)CN(C)C(C)C ZINC000862359950 589203433 /nfs/dbraw/zinc/20/34/33/589203433.db2.gz UAJXGVZTSUQPLQ-UHFFFAOYSA-N 0 3 228.380 2.413 20 30 BEEDHN C#CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000862442818 589213215 /nfs/dbraw/zinc/21/32/15/589213215.db2.gz ILCFPVVUXCVDOA-GFCCVEGCSA-N 0 3 244.294 2.440 20 30 BEEDHN C#CC[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000862442954 589213336 /nfs/dbraw/zinc/21/33/36/589213336.db2.gz JDKSGYSFDFLMRM-ZDUSSCGKSA-N 0 3 239.322 2.180 20 30 BEEDHN C#CC[C@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000862444820 589214495 /nfs/dbraw/zinc/21/44/95/589214495.db2.gz HISVWXKVENMYGU-LBPRGKRZSA-N 0 3 245.322 2.246 20 30 BEEDHN C#CC[C@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000862444820 589214496 /nfs/dbraw/zinc/21/44/96/589214496.db2.gz HISVWXKVENMYGU-LBPRGKRZSA-N 0 3 245.322 2.246 20 30 BEEDHN C#CC[C@@H]1CCN(Cc2ccc3c(n2)CCC3)C1 ZINC000862448100 589215466 /nfs/dbraw/zinc/21/54/66/589215466.db2.gz WWIBKMQFWHTMKA-CYBMUJFWSA-N 0 3 240.350 2.416 20 30 BEEDHN C#CC[C@H](CCOC)[NH2+]Cc1cccc(C)c1[O-] ZINC000862547653 589219952 /nfs/dbraw/zinc/21/99/52/589219952.db2.gz LLFGTMXVAGVOQH-CQSZACIVSA-N 0 3 247.338 2.219 20 30 BEEDHN CC(=NNC(=N)N)c1cccc(C(C)C)c1 ZINC000863078971 589254658 /nfs/dbraw/zinc/25/46/58/589254658.db2.gz COGOAPDIIGIIJN-UHFFFAOYSA-N 0 3 218.304 2.017 20 30 BEEDHN CC[C@@H](C)c1ccc(C(C)=NNC(=N)N)cc1 ZINC000863079236 589254801 /nfs/dbraw/zinc/25/48/01/589254801.db2.gz IGDWTSPEEIYCRH-SECBINFHSA-N 0 3 232.331 2.407 20 30 BEEDHN C=C[C@H](C)ON=C1CCN(C)C(C)(C)C1 ZINC000863122969 589260553 /nfs/dbraw/zinc/26/05/53/589260553.db2.gz AXRVLVUKFRBLGF-JTQLQIEISA-N 0 3 210.321 2.438 20 30 BEEDHN CC(=NNc1ccnc(C)c1)c1cnc(C)s1 ZINC000863159147 589264105 /nfs/dbraw/zinc/26/41/05/589264105.db2.gz FPXUSPFPDQMXJP-UHFFFAOYSA-N 0 3 246.339 2.413 20 30 BEEDHN Cc1nc(C)c(C=NNc2ccnc(C)c2)s1 ZINC000863159724 589264515 /nfs/dbraw/zinc/26/45/15/589264515.db2.gz ZFSJNRNRYMBYRN-UHFFFAOYSA-N 0 3 246.339 2.331 20 30 BEEDHN CN(C)c1ccc(C#N)cc1CN1CCCC1 ZINC000865405856 589433574 /nfs/dbraw/zinc/43/35/74/589433574.db2.gz ADRFDASZPMZLLS-UHFFFAOYSA-N 0 3 229.327 2.220 20 30 BEEDHN C#CCCCCNCc1cn(C2CC2)cn1 ZINC000865490773 589441085 /nfs/dbraw/zinc/44/10/85/589441085.db2.gz FVSHUUXEUBRCCW-UHFFFAOYSA-N 0 3 217.316 2.111 20 30 BEEDHN C[C@@H](F)CCNCc1cc(C#N)ccc1N(C)C ZINC000865579799 589448441 /nfs/dbraw/zinc/44/84/41/589448441.db2.gz FYZKUMZKJCRZET-LLVKDONJSA-N 0 3 249.333 2.462 20 30 BEEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccco1)C2 ZINC000865849462 589464932 /nfs/dbraw/zinc/46/49/32/589464932.db2.gz VCEWNRCKQLKOII-CQSZACIVSA-N 0 3 238.290 2.408 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1csc(C)c1 ZINC000871117757 589730218 /nfs/dbraw/zinc/73/02/18/589730218.db2.gz YYEXRXXPCHWZQH-UHFFFAOYSA-N 0 3 224.329 2.113 20 30 BEEDHN N#CCC[C@@H](C#N)CNCC[C@@H]1CCSC1 ZINC000871891157 589830757 /nfs/dbraw/zinc/83/07/57/589830757.db2.gz LRVKOBCFHLBZJV-NEPJUHHUSA-N 0 3 237.372 2.163 20 30 BEEDHN CC#CCN1CCC[C@@H](OC2CCC2)CC1 ZINC000872277882 589905294 /nfs/dbraw/zinc/90/52/94/589905294.db2.gz AGXMBBWYZXUXDR-CQSZACIVSA-N 0 3 221.344 2.433 20 30 BEEDHN CC(=NNC(=N)N)c1ccc(C2CCC2)cc1 ZINC000872341608 589915094 /nfs/dbraw/zinc/91/50/94/589915094.db2.gz VLTIFGDFDJIVJX-UHFFFAOYSA-N 0 3 230.315 2.161 20 30 BEEDHN CC(C)(C)C#CC(=O)Nc1cccc(CN)c1 ZINC000876503522 590203755 /nfs/dbraw/zinc/20/37/55/590203755.db2.gz MCMPYBXDBYYPKP-UHFFFAOYSA-N 0 3 230.311 2.133 20 30 BEEDHN C#CCCCCCCN1CCN(CC)CC1 ZINC000876524745 590208449 /nfs/dbraw/zinc/20/84/49/590208449.db2.gz XWTPACOARBJJEX-UHFFFAOYSA-N 0 3 222.376 2.208 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000876545118 590213042 /nfs/dbraw/zinc/21/30/42/590213042.db2.gz ALFDDVVXWGMEQV-MXWKQRLJSA-N 0 3 244.766 2.246 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000876545117 590213234 /nfs/dbraw/zinc/21/32/34/590213234.db2.gz ALFDDVVXWGMEQV-DCAQKATOSA-N 0 3 244.766 2.246 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1CCCCC1 ZINC000876546808 590213980 /nfs/dbraw/zinc/21/39/80/590213980.db2.gz WWQIYLVDQMGAPW-LLVKDONJSA-N 0 3 244.766 2.153 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)CC1CC1 ZINC000876550154 590214585 /nfs/dbraw/zinc/21/45/85/590214585.db2.gz QYAAETRKIRWFQL-LLVKDONJSA-N 0 3 244.766 2.105 20 30 BEEDHN C#CCCCCCCN1CCO[C@@H](C)C1 ZINC000876555688 590215060 /nfs/dbraw/zinc/21/50/60/590215060.db2.gz CZHZENZCJIGCSA-ZDUSSCGKSA-N 0 3 209.333 2.291 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000876587160 590218524 /nfs/dbraw/zinc/21/85/24/590218524.db2.gz OTROTKZLIWUPAX-GDPRMGEGSA-N 0 3 244.766 2.151 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)C(C)(C)C ZINC000876667255 590227834 /nfs/dbraw/zinc/22/78/34/590227834.db2.gz CDSCOWFCVYKEPI-SCZZXKLOSA-N 0 3 246.782 2.255 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)C(C)(C)C ZINC000876667257 590227947 /nfs/dbraw/zinc/22/79/47/590227947.db2.gz CDSCOWFCVYKEPI-WPRPVWTQSA-N 0 3 246.782 2.255 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C(C)C)C1CCC1 ZINC000876675912 590229009 /nfs/dbraw/zinc/22/90/09/590229009.db2.gz IKJIQTMXOOCSRN-LLVKDONJSA-N 0 3 244.766 2.246 20 30 BEEDHN CC(C)(C)C#CC(=O)Nc1ccc2c(c1)CNC2 ZINC000876866911 590251487 /nfs/dbraw/zinc/25/14/87/590251487.db2.gz NBPHGGYFSJRPDT-UHFFFAOYSA-N 0 3 242.322 2.278 20 30 BEEDHN C[C@@H]1C[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000876930856 590258097 /nfs/dbraw/zinc/25/80/97/590258097.db2.gz FAMJRGMMWQJIDA-SCZZXKLOSA-N 0 3 235.718 2.352 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C(C)(C)CC ZINC000876961289 590261286 /nfs/dbraw/zinc/26/12/86/590261286.db2.gz CZPYVVDRQGCRNV-ZJUUUORDSA-N 0 3 246.782 2.397 20 30 BEEDHN C#CCCCCCCN(C)[C@H](C)C[S@](C)=O ZINC000877326627 590306877 /nfs/dbraw/zinc/30/68/77/590306877.db2.gz ZWUGDQMQOZQAQQ-CJNGLKHVSA-N 0 3 243.416 2.269 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)CC(F)F ZINC000877303561 590310619 /nfs/dbraw/zinc/31/06/19/590310619.db2.gz KDFXAUGEPWWXAX-VIFPVBQESA-N 0 3 248.317 2.078 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@H]1NCC1(C)C ZINC000877303199 590310660 /nfs/dbraw/zinc/31/06/60/590310660.db2.gz DAFSYZPSSIACNC-LLVKDONJSA-N 0 3 238.375 2.093 20 30 BEEDHN C[C@@H](C#N)CN[C@H](C)CCc1cccnc1 ZINC000877321881 590316530 /nfs/dbraw/zinc/31/65/30/590316530.db2.gz VKOANMDDPHRTPX-NWDGAFQWSA-N 0 3 217.316 2.152 20 30 BEEDHN CO[C@H](CNCc1ccc(C#N)cn1)CC(C)C ZINC000877460804 590331214 /nfs/dbraw/zinc/33/12/14/590331214.db2.gz XWTKJJDOBGOUDK-AWEZNQCLSA-N 0 3 247.342 2.104 20 30 BEEDHN CCOP(=O)(CCCNCCC#N)OCC ZINC000877483937 590338104 /nfs/dbraw/zinc/33/81/04/590338104.db2.gz RWFCBDATKHXDGS-UHFFFAOYSA-N 0 3 248.263 2.146 20 30 BEEDHN C#C[C@H](C)N(C)Cc1ccc2nccnc2c1 ZINC000877479374 590337530 /nfs/dbraw/zinc/33/75/30/590337530.db2.gz BWNIKJYNTBMSNJ-NSHDSACASA-N 0 3 225.295 2.083 20 30 BEEDHN C[C@@H](CCC#N)CNCc1cccnc1F ZINC000877491082 590339958 /nfs/dbraw/zinc/33/99/58/590339958.db2.gz NQWIKRQYLHCYBO-JTQLQIEISA-N 0 3 221.279 2.250 20 30 BEEDHN C[C@H](CCc1cccnc1)NCC1(C#N)CC1 ZINC000877494868 590340737 /nfs/dbraw/zinc/34/07/37/590340737.db2.gz VHWCOEVSEKCHEE-GFCCVEGCSA-N 0 3 229.327 2.296 20 30 BEEDHN Cc1ccc(C[NH2+]CC2(CC#N)CC2)c([O-])c1 ZINC000877493939 590340898 /nfs/dbraw/zinc/34/08/98/590340898.db2.gz FLDAVGUORLVSCD-UHFFFAOYSA-N 0 3 230.311 2.484 20 30 BEEDHN C#C[C@@H](NCc1ccc2nccnc2c1)C(C)C ZINC000877512910 590343382 /nfs/dbraw/zinc/34/33/82/590343382.db2.gz FZRJSXDYUCHQQZ-CYBMUJFWSA-N 0 3 239.322 2.377 20 30 BEEDHN C#C[C@H](NCc1cncc(OC)c1C)C(C)C ZINC000877512990 590343478 /nfs/dbraw/zinc/34/34/78/590343478.db2.gz HUYXUFSQCJWPAW-ZDUSSCGKSA-N 0 3 232.327 2.146 20 30 BEEDHN C#C[C@@H](NC[C@H]1CC1(Cl)Cl)C(C)C ZINC000877513053 590343792 /nfs/dbraw/zinc/34/37/92/590343792.db2.gz KEFIGUWPAZEXGR-RKDXNWHRSA-N 0 3 220.143 2.428 20 30 BEEDHN C#C[C@H](NCc1cccc(F)c1N)C(C)C ZINC000877513409 590343880 /nfs/dbraw/zinc/34/38/80/590343880.db2.gz VGRNWENPCXTDFG-LBPRGKRZSA-N 0 3 220.291 2.155 20 30 BEEDHN C#C[C@H](NC[C@H]1CC1(Cl)Cl)C(C)C ZINC000877513050 590343900 /nfs/dbraw/zinc/34/39/00/590343900.db2.gz KEFIGUWPAZEXGR-BDAKNGLRSA-N 0 3 220.143 2.428 20 30 BEEDHN C#C[C@H](NC[C@@H](Cc1ccccc1)OC)C(C)C ZINC000877512917 590344109 /nfs/dbraw/zinc/34/41/09/590344109.db2.gz GBIGVYCQXUFURF-CVEARBPZSA-N 0 3 245.366 2.492 20 30 BEEDHN C#C[C@@H](CC)[NH2+]Cc1c(C)cccc1[O-] ZINC000877513798 590344357 /nfs/dbraw/zinc/34/43/57/590344357.db2.gz ZTFTURSVAWISNK-NSHDSACASA-N 0 3 203.285 2.202 20 30 BEEDHN C[C@@H](F)CCNCc1cc(C#N)cnc1Cl ZINC000877551650 590355271 /nfs/dbraw/zinc/35/52/71/590355271.db2.gz IUIHVTZMFRLZOK-MRVPVSSYSA-N 0 3 241.697 2.444 20 30 BEEDHN C#CCCCCCCNCc1nnc(CC)[nH]1 ZINC000877555175 590356553 /nfs/dbraw/zinc/35/65/53/590356553.db2.gz SYZMOUHSTDAXHJ-UHFFFAOYSA-N 0 3 234.347 2.040 20 30 BEEDHN C#CCCCCCC[NH2+]Cc1nnc(CC)[n-]1 ZINC000877555175 590356554 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C=CC[C@@H](C(=O)OC)N1CCC[C@H](CC=C)C1 ZINC000878915381 590649817 /nfs/dbraw/zinc/64/98/17/590649817.db2.gz SFCGNOCFAQQOCK-STQMWFEESA-N 0 3 237.343 2.392 20 30 BEEDHN C=CC(C)(C)CC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000878965148 590661509 /nfs/dbraw/zinc/66/15/09/590661509.db2.gz LIXUAGZROOOCKH-LBPRGKRZSA-N 0 3 238.375 2.141 20 30 BEEDHN C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000878965147 590661589 /nfs/dbraw/zinc/66/15/89/590661589.db2.gz LIXUAGZROOOCKH-GFCCVEGCSA-N 0 3 238.375 2.141 20 30 BEEDHN CC#CCN1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879240676 590719942 /nfs/dbraw/zinc/71/99/42/590719942.db2.gz HPFNZXGUDZUEPU-LSDHHAIUSA-N 0 3 229.323 2.208 20 30 BEEDHN Cc1ncc([C@H](C)NCCOCCC#N)s1 ZINC000879251756 590720876 /nfs/dbraw/zinc/72/08/76/590720876.db2.gz CGOLIQLUPXJARI-VIFPVBQESA-N 0 3 239.344 2.032 20 30 BEEDHN C=CCOCCN(C)CCc1cccc(C#N)c1 ZINC000879432434 590768343 /nfs/dbraw/zinc/76/83/43/590768343.db2.gz KLJYQVLTXCVPEQ-UHFFFAOYSA-N 0 3 244.338 2.235 20 30 BEEDHN C=C(Cl)CN1CC[C@@H]2CSC[C@H]2C1 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3 229.323 2.325 20 30 BEEDHN C=C[C@H](CO)NCc1ccccc1C(C)C ZINC000883181994 591564170 /nfs/dbraw/zinc/56/41/70/591564170.db2.gz PKSREGKGCPEGJA-CYBMUJFWSA-N 0 3 219.328 2.447 20 30 BEEDHN C=CCC[C@H](NCc1nccn1C)[C@@H]1CCCO1 ZINC000883184785 591565113 /nfs/dbraw/zinc/56/51/13/591565113.db2.gz FNJCDCKNQNEYKF-STQMWFEESA-N 0 3 249.358 2.024 20 30 BEEDHN C=CCC[C@@H](NCc1cc(C)n[nH]1)[C@H]1CCCO1 ZINC000883190626 591567667 /nfs/dbraw/zinc/56/76/67/591567667.db2.gz IVKVHYGRLHGEDD-ZIAGYGMSSA-N 0 3 249.358 2.322 20 30 BEEDHN C=CCC[C@@H](NCc1c[nH]nc1C)[C@H]1CCCO1 ZINC000883205533 591572404 /nfs/dbraw/zinc/57/24/04/591572404.db2.gz YQGROCVLFGBCPD-ZIAGYGMSSA-N 0 3 249.358 2.322 20 30 BEEDHN C=CCC[C@@H](NCCF)[C@@H]1CCCO1 ZINC000883221328 591576422 /nfs/dbraw/zinc/57/64/22/591576422.db2.gz YZQOEZAINMSBTI-MNOVXSKESA-N 0 3 201.285 2.059 20 30 BEEDHN C=CCn1cc(CN[C@H]2CCCC3(CC3)C2)nn1 ZINC000883230507 591579875 /nfs/dbraw/zinc/57/98/75/591579875.db2.gz INJFHKJKXKQITA-LBPRGKRZSA-N 0 3 246.358 2.277 20 30 BEEDHN C[C@H](N[C@@H]1CCOC1)c1ccc(OCC#N)cc1 ZINC000131307529 591588785 /nfs/dbraw/zinc/58/87/85/591588785.db2.gz PUQYTQFYGZRZQL-WCQYABFASA-N 0 3 246.310 2.028 20 30 BEEDHN C[C@@H](N[C@H]1CCOC1)c1ccc(OCC#N)cc1 ZINC000131308126 591590154 /nfs/dbraw/zinc/59/01/54/591590154.db2.gz PUQYTQFYGZRZQL-YPMHNXCESA-N 0 3 246.310 2.028 20 30 BEEDHN C#CC1([NH2+]Cc2cccc(OC)c2[O-])CCCC1 ZINC000883362972 591630685 /nfs/dbraw/zinc/63/06/85/591630685.db2.gz RZKGCAJBEQQZMX-UHFFFAOYSA-N 0 3 245.322 2.436 20 30 BEEDHN C#CC1(NCc2cccc(F)c2N)CCCC1 ZINC000883361889 591630830 /nfs/dbraw/zinc/63/08/30/591630830.db2.gz OCYBFZZPJCLYRI-UHFFFAOYSA-N 0 3 232.302 2.444 20 30 BEEDHN C#CC1(NCc2cnn3ccccc23)CCCC1 ZINC000883362529 591631257 /nfs/dbraw/zinc/63/12/57/591631257.db2.gz GEFJUTUGRVHFOY-UHFFFAOYSA-N 0 3 239.322 2.370 20 30 BEEDHN C#CC1(NCc2cnn(C(C)C)c2)CCCC1 ZINC000883363002 591632542 /nfs/dbraw/zinc/63/25/42/591632542.db2.gz SSVYEWNSAHPHIM-UHFFFAOYSA-N 0 3 231.343 2.500 20 30 BEEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(F)cn1 ZINC000883390587 591642437 /nfs/dbraw/zinc/64/24/37/591642437.db2.gz PLMZKVSXEOUIDW-ZYHUDNBSSA-N 0 3 238.306 2.198 20 30 BEEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cncs1 ZINC000883390870 591642587 /nfs/dbraw/zinc/64/25/87/591642587.db2.gz WTUKDWVBJYQXNA-VHSXEESVSA-N 0 3 226.345 2.121 20 30 BEEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cnc(C)s1 ZINC000883390422 591643085 /nfs/dbraw/zinc/64/30/85/591643085.db2.gz LQQMFNLOANYKJY-KOLCDFICSA-N 0 3 240.372 2.429 20 30 BEEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccoc1 ZINC000883390743 591643154 /nfs/dbraw/zinc/64/31/54/591643154.db2.gz SPGQBMIXFFTDFJ-CMPLNLGQSA-N 0 3 209.289 2.257 20 30 BEEDHN C=C(C)C[C@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000883392117 591643896 /nfs/dbraw/zinc/64/38/96/591643896.db2.gz APCHBBHOEXMFQV-CHWSQXEVSA-N 0 3 247.338 2.296 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1ccc(C#N)s1 ZINC000883400138 591647600 /nfs/dbraw/zinc/64/76/00/591647600.db2.gz FRXSGANBPJXXOO-SNVBAGLBSA-N 0 3 236.340 2.036 20 30 BEEDHN C=C(C)C[C@@H](CO)NCc1ccc(C#N)s1 ZINC000883400137 591647881 /nfs/dbraw/zinc/64/78/81/591647881.db2.gz FRXSGANBPJXXOO-JTQLQIEISA-N 0 3 236.340 2.036 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1cccc(OC)c1 ZINC000883401181 591648900 /nfs/dbraw/zinc/64/89/00/591648900.db2.gz FHUNZODHDUUYCM-CYBMUJFWSA-N 0 3 235.327 2.112 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1ccc(OC)cc1 ZINC000883401293 591649100 /nfs/dbraw/zinc/64/91/00/591649100.db2.gz JECTYVPDQPOJOA-CYBMUJFWSA-N 0 3 235.327 2.112 20 30 BEEDHN CN(Cc1ccco1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885933410 592110777 /nfs/dbraw/zinc/11/07/77/592110777.db2.gz SRLYFKKMSBJZAK-LBPRGKRZSA-N 0 3 248.326 2.156 20 30 BEEDHN C=CCN(CC=C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885954516 592114625 /nfs/dbraw/zinc/11/46/25/592114625.db2.gz ZWGXKYOXIPAFLV-ZDUSSCGKSA-N 0 3 234.343 2.105 20 30 BEEDHN CN(Cc1ccoc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885962607 592115995 /nfs/dbraw/zinc/11/59/95/592115995.db2.gz CYOBEZJGVQQHLJ-ZDUSSCGKSA-N 0 3 248.326 2.156 20 30 BEEDHN CC(C)CN(CCC#N)C[C@@H]1C[C@@]12CCOC2 ZINC000886017140 592132314 /nfs/dbraw/zinc/13/23/14/592132314.db2.gz SMEYYGFPYQJVFW-UONOGXRCSA-N 0 3 236.359 2.285 20 30 BEEDHN C#CC[C@@H](COC)NC/C=C\c1cccc(F)c1 ZINC000886173425 592169656 /nfs/dbraw/zinc/16/96/56/592169656.db2.gz OZTZUAZYHFGNTD-KKTNHOPESA-N 0 3 247.313 2.467 20 30 BEEDHN C#C[C@@H](C)N(C)C[C@H]1CCC2(CCC2)CO1 ZINC000886173055 592169766 /nfs/dbraw/zinc/16/97/66/592169766.db2.gz DXAVXCILIOOAOS-CHWSQXEVSA-N 0 3 221.344 2.289 20 30 BEEDHN C#C[C@@H]1CCCN(C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886271105 592192234 /nfs/dbraw/zinc/19/22/34/592192234.db2.gz XMXRMNSAXXWDJT-BPLDGKMQSA-N 0 3 233.355 2.289 20 30 BEEDHN CN(C[C@@H]1C[C@]12CCOC2)[C@H]1CCC[C@@H]1C#N ZINC000886307182 592204433 /nfs/dbraw/zinc/20/44/33/592204433.db2.gz LMBTWYZVMMJCRN-RFGFWPKPSA-N 0 3 234.343 2.037 20 30 BEEDHN C#CCC1(NCc2cccc(O)c2)CCOCC1 ZINC000886384448 592221342 /nfs/dbraw/zinc/22/13/42/592221342.db2.gz RSKRLMFMKCXKGN-UHFFFAOYSA-N 0 3 245.322 2.054 20 30 BEEDHN CC(C)[C@H](N[C@H]1CC[C@H](C#N)C1)c1cnn(C)c1 ZINC000886594294 592270679 /nfs/dbraw/zinc/27/06/79/592270679.db2.gz JLFMTLALEMOJIR-UBHSHLNASA-N 0 3 246.358 2.399 20 30 BEEDHN CC(C)[C@H](NCC1(CC#N)CC1)c1cnn(C)c1 ZINC000886604671 592272393 /nfs/dbraw/zinc/27/23/93/592272393.db2.gz AJYGNDPRQWKQHA-ZDUSSCGKSA-N 0 3 246.358 2.401 20 30 BEEDHN C=C(CC)CN[C@H](C)c1cncc(C(=O)OC)c1 ZINC000886621958 592279193 /nfs/dbraw/zinc/27/91/93/592279193.db2.gz HARWONIFJBPQRH-LLVKDONJSA-N 0 3 248.326 2.485 20 30 BEEDHN CC(C)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cnn(C)c1 ZINC000886629598 592283039 /nfs/dbraw/zinc/28/30/39/592283039.db2.gz JLFMTLALEMOJIR-IACUBPJLSA-N 0 3 246.358 2.399 20 30 BEEDHN C#CCN1CCC[C@@H](N[C@@H](C)c2ccco2)C1 ZINC000886659879 592292876 /nfs/dbraw/zinc/29/28/76/592292876.db2.gz XRXAWKSMTBFIOJ-QWHCGFSZSA-N 0 3 232.327 2.028 20 30 BEEDHN C[C@H](CCC#N)N1CCC[C@@H](c2ncccn2)C1 ZINC000886686330 592304298 /nfs/dbraw/zinc/30/42/98/592304298.db2.gz NRFXKJGPNCWNGP-CHWSQXEVSA-N 0 3 244.342 2.348 20 30 BEEDHN C=CCC1(O)CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000886778837 592320502 /nfs/dbraw/zinc/32/05/02/592320502.db2.gz XFJZMHFORRVDPN-STQMWFEESA-N 0 3 234.343 2.082 20 30 BEEDHN C#CCOCCN[C@@H]1CCc2c1cccc2F ZINC000886928514 592396685 /nfs/dbraw/zinc/39/66/85/592396685.db2.gz BGDZPRZDZFNQAB-CQSZACIVSA-N 0 3 233.286 2.052 20 30 BEEDHN C=C(C)CN1CCN(c2ccncc2)C[C@H]1C ZINC000887130241 592448770 /nfs/dbraw/zinc/44/87/70/592448770.db2.gz ABOFARWTAYBWKX-CYBMUJFWSA-N 0 3 231.343 2.168 20 30 BEEDHN COc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1C ZINC000887323551 592480635 /nfs/dbraw/zinc/48/06/35/592480635.db2.gz YZDVNKNFOQXIQD-GHMZBOCLSA-N 0 3 246.310 2.341 20 30 BEEDHN C#C[C@@H](C)NCc1cnc2ccccc2c1 ZINC000300868461 592523785 /nfs/dbraw/zinc/52/37/85/592523785.db2.gz HHTAQUCRLLXNSO-LLVKDONJSA-N 0 3 210.280 2.346 20 30 BEEDHN CC(C#N)C(=O)NC[C@@H]1CCC=CCCC1 ZINC000890051432 592671155 /nfs/dbraw/zinc/67/11/55/592671155.db2.gz MOEXDMQXTOEGGT-VXGBXAGGSA-N 0 3 220.316 2.399 20 30 BEEDHN C=C(C)C[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823877610 608493018 /nfs/dbraw/zinc/49/30/18/608493018.db2.gz BAMDAVDLFGIYNX-SNVBAGLBSA-N 0 3 243.314 2.093 20 30 BEEDHN C=C(C)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823877610 608493019 /nfs/dbraw/zinc/49/30/19/608493019.db2.gz BAMDAVDLFGIYNX-SNVBAGLBSA-N 0 3 243.314 2.093 20 30 BEEDHN C=C(C)CN1CCCN(C(=O)C=C(C)C)CC1 ZINC000980649374 635249563 /nfs/dbraw/zinc/24/95/63/635249563.db2.gz XQAQTWBUHPMPCU-UHFFFAOYSA-N 0 3 236.359 2.063 20 30 BEEDHN C=C(Cl)CN[C@@H]1C[C@@H](OC)C12CCC2 ZINC000308366402 631304118 /nfs/dbraw/zinc/30/41/18/631304118.db2.gz LSXXBJNGAZYNOH-NXEZZACHSA-N 0 3 215.724 2.286 20 30 BEEDHN CC[C@H](CC#N)N[C@@H]1C[C@H](OC)C12CCC2 ZINC000308382321 631306651 /nfs/dbraw/zinc/30/66/51/631306651.db2.gz XIJLNUDPVSVELT-UTUOFQBUSA-N 0 3 222.332 2.226 20 30 BEEDHN CO[C@@H]1C[C@H](NCC(C)(C)C#N)C12CCC2 ZINC000308376577 631313556 /nfs/dbraw/zinc/31/35/56/631313556.db2.gz TYOFFUNXFLAXMZ-WDEREUQCSA-N 0 3 222.332 2.083 20 30 BEEDHN C=C(C)CCN1CCOc2ccccc2[C@@H]1CO ZINC000933378608 631342372 /nfs/dbraw/zinc/34/23/72/631342372.db2.gz ABENDUXJWKGSEX-AWEZNQCLSA-N 0 3 247.338 2.381 20 30 BEEDHN C#CCCCN(C)Cc1cc(C#N)cs1 ZINC000933770964 631507412 /nfs/dbraw/zinc/50/74/12/631507412.db2.gz CGCNYCZPSRTGJA-UHFFFAOYSA-N 0 3 218.325 2.465 20 30 BEEDHN Cc1cc(N)nc(NCC(C)(C)CCC#N)n1 ZINC000893867689 635633616 /nfs/dbraw/zinc/63/36/16/635633616.db2.gz PNIDMOFBNGPSIU-UHFFFAOYSA-N 0 3 233.319 2.109 20 30 BEEDHN COc1ccc(CC[C@@H](C)NCCC#N)cc1O ZINC000425979586 635655463 /nfs/dbraw/zinc/65/54/63/635655463.db2.gz LIVGEOPGGCUAEA-LLVKDONJSA-N 0 3 248.326 2.225 20 30 BEEDHN C[C@H](CNCCC#N)Cc1ccccc1 ZINC000309007663 631799717 /nfs/dbraw/zinc/79/97/17/631799717.db2.gz QKUVJVGFXIHQML-LBPRGKRZSA-N 0 3 202.301 2.368 20 30 BEEDHN C=CC[C@H]1CCN1Cc1cc(C)nnc1C ZINC000934459250 631847941 /nfs/dbraw/zinc/84/79/41/631847941.db2.gz BHKMQFGMDUGRBG-ZDUSSCGKSA-N 0 3 217.316 2.244 20 30 BEEDHN C=CC[C@@H]1CCN1CCO[C@@H]1CC1(F)F ZINC000934460166 631852143 /nfs/dbraw/zinc/85/21/43/631852143.db2.gz OHGLGMGTXDXOIO-NXEZZACHSA-N 0 3 217.259 2.061 20 30 BEEDHN CC(=NNC(=N)N)c1cc2ccccc2s1 ZINC000309086750 631875319 /nfs/dbraw/zinc/87/53/19/631875319.db2.gz PZQRILUDXVYROK-UHFFFAOYSA-N 0 3 232.312 2.108 20 30 BEEDHN C#C[C@@H]1CCCCN1CCOC(C)(C)C ZINC000934511209 631893388 /nfs/dbraw/zinc/89/33/88/631893388.db2.gz JRTNYVCKXQVYFA-GFCCVEGCSA-N 0 3 209.333 2.289 20 30 BEEDHN C=CCN1CCCC[C@H]1CNC(=O)C1=CCCC1 ZINC001024390381 632734325 /nfs/dbraw/zinc/73/43/25/632734325.db2.gz HEOVCYGDVPUQNU-AWEZNQCLSA-N 0 3 248.370 2.253 20 30 BEEDHN C#C[C@@H](CC)NCc1ccc2c(c1)CCO2 ZINC000229891294 632999764 /nfs/dbraw/zinc/99/97/64/632999764.db2.gz GOGNUMCZLWVLAQ-ZDUSSCGKSA-N 0 3 215.296 2.123 20 30 BEEDHN C#C[C@H](NCCSC(C)(C)C)[C@H]1CCCO1 ZINC000309423099 633052069 /nfs/dbraw/zinc/05/20/69/633052069.db2.gz AFRXZQWEADQNJX-NWDGAFQWSA-N 0 3 241.400 2.289 20 30 BEEDHN C=C(Br)CN[C@]1(CC)CCOC1 ZINC000307974243 633141833 /nfs/dbraw/zinc/14/18/33/633141833.db2.gz JOMZEZMABYIBHN-SECBINFHSA-N 0 3 234.137 2.054 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)o1 ZINC000894738258 635919369 /nfs/dbraw/zinc/91/93/69/635919369.db2.gz LVCAGFGFGOYPIY-NEPJUHHUSA-N 0 3 237.299 2.111 20 30 BEEDHN C#C[C@H](C)NCc1ccc(OCC=C)cc1 ZINC000166450247 636128005 /nfs/dbraw/zinc/12/80/05/636128005.db2.gz QBDIHKYBAPNMCR-LBPRGKRZSA-N 0 3 215.296 2.363 20 30 BEEDHN CC[C@@H](C[C@](C)(O)CC)NCC1(C#N)CC1 ZINC000926873307 633758036 /nfs/dbraw/zinc/75/80/36/633758036.db2.gz FJGCRHAPMWMZBG-NWDGAFQWSA-N 0 3 224.348 2.209 20 30 BEEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1 ZINC001027728388 635128467 /nfs/dbraw/zinc/12/84/67/635128467.db2.gz ZGUCISWSWLAZCI-CQSZACIVSA-N 0 3 244.338 2.067 20 30 BEEDHN C#CCCCCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000840728687 636438804 /nfs/dbraw/zinc/43/88/04/636438804.db2.gz MQQXFGQUTWQHTP-LBPRGKRZSA-N 0 3 231.343 2.283 20 30 BEEDHN C=CCC[C@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000321075815 636557187 /nfs/dbraw/zinc/55/71/87/636557187.db2.gz AWKKXGGEOUJDSX-VXGBXAGGSA-N 0 3 235.327 2.370 20 30 BEEDHN C=C(Cl)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676081 636937498 /nfs/dbraw/zinc/93/74/98/636937498.db2.gz HESCAAKOEFDCHL-UHFFFAOYSA-N 0 3 240.690 2.479 20 30 BEEDHN Cc1cc(/C=C2/C(=O)c3ncnn3C2C)cs1 ZINC000905084126 637582992 /nfs/dbraw/zinc/58/29/92/637582992.db2.gz HNEUPVYBQMZFFF-JVVDXDAESA-N 0 3 245.307 2.489 20 30 BEEDHN C=CC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC000906726200 638239275 /nfs/dbraw/zinc/23/92/75/638239275.db2.gz YTJYQMXZRSPUMO-GFCCVEGCSA-N 0 3 238.375 2.332 20 30 BEEDHN CC(C)CN(CCC#N)CCCn1ccnc1 ZINC000043419729 638309754 /nfs/dbraw/zinc/30/97/54/638309754.db2.gz SNXFXEMINIDWAS-UHFFFAOYSA-N 0 3 234.347 2.145 20 30 BEEDHN C=C(C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC000908930020 639104255 /nfs/dbraw/zinc/10/42/55/639104255.db2.gz RAQOTBYBWDARDO-UHFFFAOYSA-N 0 3 238.375 2.333 20 30 BEEDHN C=CC(C)(C)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910269414 639397964 /nfs/dbraw/zinc/39/79/64/639397964.db2.gz GAXKLDNEQLGQOO-LBPRGKRZSA-N 0 3 238.375 2.141 20 30 BEEDHN N#CC[C@@H](O)CN[C@H](c1ccccc1)C1CC1 ZINC000930239659 639646738 /nfs/dbraw/zinc/64/67/38/639646738.db2.gz QSFRHFNCYCBMHM-ZIAGYGMSSA-N 0 3 230.311 2.002 20 30 BEEDHN C[C@H](NC[C@H](O)CC#N)c1cccc(C2CC2)c1 ZINC000930595395 639815797 /nfs/dbraw/zinc/81/57/97/639815797.db2.gz WZYCPXZVRZSBKR-XHDPSFHLSA-N 0 3 244.338 2.489 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N(CCC)CCC ZINC000911916609 639876052 /nfs/dbraw/zinc/87/60/52/639876052.db2.gz CJDIJROMBBSLDR-LBPRGKRZSA-N 0 3 226.364 2.319 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1C ZINC000911959184 639904224 /nfs/dbraw/zinc/90/42/24/639904224.db2.gz CWAMYKLVJHESOW-NWDGAFQWSA-N 0 3 224.348 2.071 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C ZINC000911962746 639906120 /nfs/dbraw/zinc/90/61/20/639906120.db2.gz WGFGKGHSZLMAPD-AGIUHOORSA-N 0 3 238.375 2.365 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(C)cc1 ZINC000911968898 639912614 /nfs/dbraw/zinc/91/26/14/639912614.db2.gz HTDIUCCZIKZSPL-CQSZACIVSA-N 0 3 246.354 2.295 20 30 BEEDHN C#CC[C@@H]1CCCN(Cc2cnc(CC)o2)C1 ZINC000930815020 639915304 /nfs/dbraw/zinc/91/53/04/639915304.db2.gz ATWSNMMCGFMBOG-GFCCVEGCSA-N 0 3 232.327 2.472 20 30 BEEDHN Cc1cccc(C2(NC[C@H](O)CC#N)CCC2)c1 ZINC000930819108 639921359 /nfs/dbraw/zinc/92/13/59/639921359.db2.gz RVEFTFGRUPHOQK-CQSZACIVSA-N 0 3 244.338 2.238 20 30 BEEDHN Cc1ccccc1C1(NC[C@H](O)CC#N)CCC1 ZINC000930843027 639940591 /nfs/dbraw/zinc/94/05/91/639940591.db2.gz ODHGOSRIUAQRBN-CYBMUJFWSA-N 0 3 244.338 2.238 20 30 BEEDHN C#C[C@@H]1CCCN(C[C@@](O)(CC)C(F)(F)F)C1 ZINC000930884815 639970271 /nfs/dbraw/zinc/97/02/71/639970271.db2.gz HIDUMOZXVPKXOS-MNOVXSKESA-N 0 3 249.276 2.035 20 30 BEEDHN C=CCCC[C@H](N)C(=O)NCC(CC)CC ZINC000912252510 640012665 /nfs/dbraw/zinc/01/26/65/640012665.db2.gz BTDMIXWNJQFLQK-LBPRGKRZSA-N 0 3 226.364 2.222 20 30 BEEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2)C[C@H]1C ZINC000947063086 640068272 /nfs/dbraw/zinc/06/82/72/640068272.db2.gz WDUZFCWOIUDHII-YPMHNXCESA-N 0 3 248.326 2.048 20 30 BEEDHN 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CMRSWEHZUYRBFW-NSHDSACASA-N 0 3 224.348 2.209 20 30 BEEDHN C=CCCCN1CCc2cnc(OC)cc2C1 ZINC001209165050 969365987 /nfs/dbraw/zinc/36/59/87/969365987.db2.gz NUPHYQJAECFYEI-UHFFFAOYSA-N 0 3 232.327 2.415 20 30 BEEDHN C=C(C)c1ccc(-n2ccc([C@@H](C)N)n2)nc1 ZINC001169230667 969501411 /nfs/dbraw/zinc/50/14/11/969501411.db2.gz VTRVWLMTGLUREZ-SNVBAGLBSA-N 0 3 228.299 2.320 20 30 BEEDHN C[C@H](N)c1ccn(-c2ccc(CCC#N)cc2)n1 ZINC001169231056 969505499 /nfs/dbraw/zinc/50/54/99/969505499.db2.gz DSTNKKWUOQAJFJ-NSHDSACASA-N 0 3 240.310 2.348 20 30 BEEDHN Cc1cc(C)c(CN[C@H]2CC[C@@H](C#N)C2)c(=O)[nH]1 ZINC001254635489 969753022 /nfs/dbraw/zinc/75/30/22/969753022.db2.gz QRVLVBKAZLSBTG-NEPJUHHUSA-N 0 3 245.326 2.186 20 30 BEEDHN Cc1cc(C)c(CN[C@H]2CC[C@H](C#N)C2)c(=O)[nH]1 ZINC001254635491 969754065 /nfs/dbraw/zinc/75/40/65/969754065.db2.gz QRVLVBKAZLSBTG-RYUDHWBXSA-N 0 3 245.326 2.186 20 30 BEEDHN N#C[C@H]1CC[C@H](NCc2cccc3ccnn32)C1 ZINC001254645498 969761470 /nfs/dbraw/zinc/76/14/70/969761470.db2.gz 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C=C(CN(C)C)C(=O)Nc1ccccc1C ZINC000763896204 585456471 /nfs/dbraw/zinc/45/64/71/585456471.db2.gz PGXUSKIPPNIIID-UHFFFAOYSA-N 0 3 218.300 2.051 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000763899712 585456604 /nfs/dbraw/zinc/45/66/04/585456604.db2.gz FAGJTEWHYGXBTL-UHFFFAOYSA-N 0 3 238.718 2.396 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1cc(C)cc(C)c1 ZINC000763901091 585456610 /nfs/dbraw/zinc/45/66/10/585456610.db2.gz QWKUKSYGLLDMQB-UHFFFAOYSA-N 0 3 232.327 2.360 20 30 BEEDHN C=C(CN(C)C)C(=O)NC1CCCCCCC1 ZINC000763899728 585456681 /nfs/dbraw/zinc/45/66/81/585456681.db2.gz HOKSWZYVUUFPDQ-UHFFFAOYSA-N 0 3 238.375 2.333 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1cccc(CC)c1 ZINC000763921821 585457190 /nfs/dbraw/zinc/45/71/90/585457190.db2.gz XEQSGLRDYVVVMN-UHFFFAOYSA-N 0 3 232.327 2.305 20 30 BEEDHN C#CCN(CCc1cccs1)C1CC1 ZINC000763951638 585457776 /nfs/dbraw/zinc/45/77/76/585457776.db2.gz ZMMIOLRYFZNHPP-UHFFFAOYSA-N 0 3 205.326 2.388 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1ccc(C)cc1F ZINC000763993099 585458490 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218.275 2.066 20 30 BEEDHN C#CC[C@H]1CCN(Cc2cncc(OCC)c2)C1 ZINC000862447985 589215304 /nfs/dbraw/zinc/21/53/04/589215304.db2.gz TZAGGDBTNKUSHQ-ZDUSSCGKSA-N 0 3 244.338 2.326 20 30 BEEDHN CC(NN=c1[nH]ccn1C)=C1CC(F)(F)C1 ZINC000863109472 589257327 /nfs/dbraw/zinc/25/73/27/589257327.db2.gz PROZYPKIZYEKAJ-UHFFFAOYSA-N 0 3 228.246 2.253 20 30 BEEDHN C=CCNN=C(CC)c1ccc(N)cc1 ZINC000863112827 589258114 /nfs/dbraw/zinc/25/81/14/589258114.db2.gz ZNPGZMGYBRUMJV-UHFFFAOYSA-N 0 3 203.289 2.159 20 30 BEEDHN Cc1cc(NN=Cc2cncn2C(C)C)ccn1 ZINC000863161184 589265117 /nfs/dbraw/zinc/26/51/17/589265117.db2.gz YLXVQVLMTCQAJO-UHFFFAOYSA-N 0 3 243.314 2.035 20 30 BEEDHN N#CC(C(=O)C=C1CCC1)c1ccccn1 ZINC000119955580 589350385 /nfs/dbraw/zinc/35/03/85/589350385.db2.gz BSGFZEQTMKASGM-NSHDSACASA-N 0 3 212.252 2.368 20 30 BEEDHN CSCCNCc1cc(C#N)ccc1N(C)C ZINC000865401564 589433144 /nfs/dbraw/zinc/43/31/44/589433144.db2.gz CMLZTYYWQKGOQS-UHFFFAOYSA-N 0 3 249.383 2.077 20 30 BEEDHN C#CC[C@@H](COC)NCc1csc(C)c1C 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KAMWBYZEDPBQHY-UHFFFAOYSA-N 0 3 204.277 2.249 20 30 BEEDHN COc1cccc(N=NC2CCN(C)[C@@H]2C)c1 ZINC000872338114 589914070 /nfs/dbraw/zinc/91/40/70/589914070.db2.gz BLOVYOZBZFASRB-SNVBAGLBSA-N 0 3 233.315 2.187 20 30 BEEDHN C[C@H]1C(N=Nc2cccc(F)c2)CCN1C ZINC000872345493 589915723 /nfs/dbraw/zinc/91/57/23/589915723.db2.gz QGAYJFCBQVJUPS-VIFPVBQESA-N 0 3 221.279 2.318 20 30 BEEDHN CCNc1ccccc1C=NN[C@@H]1CCCOC1 ZINC000872365845 589921074 /nfs/dbraw/zinc/92/10/74/589921074.db2.gz HPTKQEWLQITTNI-CYBMUJFWSA-N 0 3 247.342 2.221 20 30 BEEDHN C#C[C@H]1CC[C@H](NCc2cc3n(n2)CCC3)CC1 ZINC000873198175 589991894 /nfs/dbraw/zinc/99/18/94/589991894.db2.gz VZMSFCUIIVZJSN-JOCQHMNTSA-N 0 3 243.354 2.111 20 30 BEEDHN C#C[C@H]1CC[C@H](NCc2cscn2)CC1 ZINC000873198332 589992151 /nfs/dbraw/zinc/99/21/51/589992151.db2.gz FLTJACGBQYOKGA-XYPYZODXSA-N 0 3 220.341 2.425 20 30 BEEDHN C=C1CC(C)(C(=O)N2CC[C@H]3[C@H]2CCCN3C)C1 ZINC000874822670 590141621 /nfs/dbraw/zinc/14/16/21/590141621.db2.gz JVHDRZDHMBJTBD-QWHCGFSZSA-N 0 3 248.370 2.038 20 30 BEEDHN C=C(C)CN(CC)Cc1cnc2c(cnn2C)c1 ZINC000876527631 590208891 /nfs/dbraw/zinc/20/88/91/590208891.db2.gz CLIYMORZRKOBOG-UHFFFAOYSA-N 0 3 244.342 2.366 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1CC ZINC000876543795 590212549 /nfs/dbraw/zinc/21/25/49/590212549.db2.gz JHCALKJSEKBHKU-WDEREUQCSA-N 0 3 244.766 2.247 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1CC ZINC000876543794 590212613 /nfs/dbraw/zinc/21/26/13/590212613.db2.gz JHCALKJSEKBHKU-QWRGUYRKSA-N 0 3 244.766 2.247 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000876549791 590214380 /nfs/dbraw/zinc/21/43/80/590214380.db2.gz JCLMJVJOCVZPGC-DVVUODLYSA-N 0 3 244.766 2.151 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C ZINC000876549796 590214469 /nfs/dbraw/zinc/21/44/69/590214469.db2.gz JCLMJVJOCVZPGC-MIMYLULJSA-N 0 3 244.766 2.151 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC(C)C)C(C)C ZINC000876599941 590220569 /nfs/dbraw/zinc/22/05/69/590220569.db2.gz ARIUDXKXBZAOCQ-LLVKDONJSA-N 0 3 246.782 2.349 20 30 BEEDHN C=CCN(Cc1cnc2c(cnn2C)c1)C(C)C ZINC000876600419 590220813 /nfs/dbraw/zinc/22/08/13/590220813.db2.gz QSWXYBXBFCODHH-UHFFFAOYSA-N 0 3 244.342 2.365 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)CCC ZINC000876603265 590220942 /nfs/dbraw/zinc/22/09/42/590220942.db2.gz NSHQFIWERQETAW-UWVGGRQHSA-N 0 3 232.755 2.103 20 30 BEEDHN C#CCCCCCCN1CCOC[C@H]1C ZINC000876610583 590221836 /nfs/dbraw/zinc/22/18/36/590221836.db2.gz DQNQFHNQUQVXMZ-CYBMUJFWSA-N 0 3 209.333 2.291 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)CCC ZINC000876628123 590223613 /nfs/dbraw/zinc/22/36/13/590223613.db2.gz GEADRIAHFJVXFY-UWVGGRQHSA-N 0 3 232.755 2.151 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)CCC ZINC000876634476 590224462 /nfs/dbraw/zinc/22/44/62/590224462.db2.gz SEJSJUIGAKCMJT-SECBINFHSA-N 0 3 232.755 2.151 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)CCC ZINC000876634477 590224550 /nfs/dbraw/zinc/22/45/50/590224550.db2.gz SEJSJUIGAKCMJT-VIFPVBQESA-N 0 3 232.755 2.151 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(C)CCCC1 ZINC000876653549 590226078 /nfs/dbraw/zinc/22/60/78/590226078.db2.gz OBVGFCZUBZVSKB-JTQLQIEISA-N 0 3 244.766 2.153 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[C@H](C)CC ZINC000876668195 590227084 /nfs/dbraw/zinc/22/70/84/590227084.db2.gz SVAYHVBUEMCSEV-MIMYLULJSA-N 0 3 246.782 2.397 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1CC ZINC000876670150 590228564 /nfs/dbraw/zinc/22/85/64/590228564.db2.gz HLYLEILIUMHGSO-GDPRMGEGSA-N 0 3 244.766 2.103 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CCC1CC1 ZINC000876897815 590254907 /nfs/dbraw/zinc/25/49/07/590254907.db2.gz GHQJSDGTEWMHIV-GXSJLCMTSA-N 0 3 244.766 2.151 20 30 BEEDHN C#CCCCCCCNCc1cc[nH]n1 ZINC000876915384 590256491 /nfs/dbraw/zinc/25/64/91/590256491.db2.gz QXHSYYKSAQHNHF-UHFFFAOYSA-N 0 3 205.305 2.083 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C(C)(C)CC ZINC000876961086 590261469 /nfs/dbraw/zinc/26/14/69/590261469.db2.gz CZPYVVDRQGCRNV-NXEZZACHSA-N 0 3 246.782 2.397 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCC1CCC1 ZINC000876969343 590262477 /nfs/dbraw/zinc/26/24/77/590262477.db2.gz YVMYFAMZNOJSKL-NSHDSACASA-N 0 3 244.766 2.153 20 30 BEEDHN C=CCCC(C)(C)NC(=O)[C@@H](N)CC(=C)Cl ZINC000876978101 590263845 /nfs/dbraw/zinc/26/38/45/590263845.db2.gz GFRLSKPKWNRKLS-JTQLQIEISA-N 0 3 244.766 2.317 20 30 BEEDHN C=CC(C)(C)CCNC(=O)[C@H](N)CC(=C)Cl ZINC000876991420 590266225 /nfs/dbraw/zinc/26/62/25/590266225.db2.gz XRLKGNNMLMSNTI-SNVBAGLBSA-N 0 3 244.766 2.175 20 30 BEEDHN C=C(Br)CNC[C@H](C)CCC#N ZINC000877019602 590269863 /nfs/dbraw/zinc/26/98/63/590269863.db2.gz AQIYVAYNVAEQGN-MRVPVSSYSA-N 0 3 231.137 2.424 20 30 BEEDHN C=CC[C@H](C)NCc1ccc(Cl)nn1 ZINC000877035344 590272319 /nfs/dbraw/zinc/27/23/19/590272319.db2.gz FFKKKAFHXZOJTQ-QMMMGPOBSA-N 0 3 211.696 2.184 20 30 BEEDHN CSCC[C@@H](C)NCc1cccc(C#N)n1 ZINC000877055390 590275148 /nfs/dbraw/zinc/27/51/48/590275148.db2.gz MPLFQOSQAFXQHF-SNVBAGLBSA-N 0 3 235.356 2.184 20 30 BEEDHN CS[C@H]1CC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000877068898 590277108 /nfs/dbraw/zinc/27/71/08/590277108.db2.gz UWYHOSIYULQSBC-MFKMUULPSA-N 0 3 247.367 2.327 20 30 BEEDHN CC1CC(NCc2cc(C#N)cnc2Cl)C1 ZINC000877079277 590279647 /nfs/dbraw/zinc/27/96/47/590279647.db2.gz AHZFISRMLJWHMN-UHFFFAOYSA-N 0 3 235.718 2.495 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC(C)(C)CC ZINC000877148130 590292038 /nfs/dbraw/zinc/29/20/38/590292038.db2.gz TXZQLWIPBFRJPP-SNVBAGLBSA-N 0 3 246.782 2.399 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)CNC(C)C ZINC000877303152 590310283 /nfs/dbraw/zinc/31/02/83/590310283.db2.gz BPPGHSXONXLRDL-UHFFFAOYSA-N 0 3 226.364 2.093 20 30 BEEDHN Cc1ccc(C[NH2+]CCCC#N)c([O-])c1 ZINC000877303510 590310419 /nfs/dbraw/zinc/31/04/19/590310419.db2.gz JHWCZOXIBBYJSG-UHFFFAOYSA-N 0 3 204.273 2.094 20 30 BEEDHN C#CCCCCCCNCc1ccno1 ZINC000877321208 590313563 /nfs/dbraw/zinc/31/35/63/590313563.db2.gz FYAZTXMCCRDEKY-UHFFFAOYSA-N 0 3 206.289 2.348 20 30 BEEDHN C[C@@H](C#N)CN[C@H]1CCOC2(CCCC2)C1 ZINC000877321295 590316486 /nfs/dbraw/zinc/31/64/86/590316486.db2.gz HOEVFVLEMZTODW-RYUDHWBXSA-N 0 3 222.332 2.227 20 30 BEEDHN C[C@@H](C#N)CN[C@@H]1CCOC2(CCCC2)C1 ZINC000877321294 590316567 /nfs/dbraw/zinc/31/65/67/590316567.db2.gz HOEVFVLEMZTODW-NWDGAFQWSA-N 0 3 222.332 2.227 20 30 BEEDHN C#C[C@H](NCCC(C)(C)SC)[C@H]1CCCO1 ZINC000877413819 590324544 /nfs/dbraw/zinc/32/45/44/590324544.db2.gz RVEHFIIPQVVKQV-NWDGAFQWSA-N 0 3 241.400 2.289 20 30 BEEDHN C#C[C@@H](CC)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877512913 590343723 /nfs/dbraw/zinc/34/37/23/590343723.db2.gz FZVXRTSWEMOLLY-LBPRGKRZSA-N 0 3 203.285 2.202 20 30 BEEDHN C#C[C@@H](CC)NC[C@H]1CC1(Cl)Cl ZINC000877512893 590344197 /nfs/dbraw/zinc/34/41/97/590344197.db2.gz FHUZZMFSOGSLEI-SFYZADRCSA-N 0 3 206.116 2.182 20 30 BEEDHN N#Cc1cnc(Cl)c(CNCCCCF)c1 ZINC000877541591 590352088 /nfs/dbraw/zinc/35/20/88/590352088.db2.gz JOCGNKYKDFBXQC-UHFFFAOYSA-N 0 3 241.697 2.446 20 30 BEEDHN N#C[C@H]1CC[C@@H](NC[C@H]2CC2(Cl)Cl)C1 ZINC000877597155 590370980 /nfs/dbraw/zinc/37/09/80/590370980.db2.gz BNLRELIOAZTINV-DJLDLDEBSA-N 0 3 233.142 2.462 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877598581 590371382 /nfs/dbraw/zinc/37/13/82/590371382.db2.gz PLIYUHLXGGSLBR-WFASDCNBSA-N 0 3 247.338 2.381 20 30 BEEDHN N#Cc1cccc(CNCC[C@H]2CCSC2)n1 ZINC000877662207 590387520 /nfs/dbraw/zinc/38/75/20/590387520.db2.gz NPFKDRMLOWOIHJ-NSHDSACASA-N 0 3 247.367 2.186 20 30 BEEDHN CN1CCN(Cc2ccc(C#N)o2)CCC1(C)C ZINC000877701511 590394431 /nfs/dbraw/zinc/39/44/31/590394431.db2.gz YXHOYAJDTDHXPR-UHFFFAOYSA-N 0 3 247.342 2.067 20 30 BEEDHN C#C[C@H]1CC[C@H](NCc2ccc(Cl)nn2)CC1 ZINC000877833827 590429884 /nfs/dbraw/zinc/42/98/84/590429884.db2.gz KWMWOKDFZBXSBO-XYPYZODXSA-N 0 3 249.745 2.412 20 30 BEEDHN CC(C)[C@@H](O)CCN(C)Cc1ccc(C#N)cc1 ZINC000877917216 590446870 /nfs/dbraw/zinc/44/68/70/590446870.db2.gz RATJYDOXUVCFBG-HNNXBMFYSA-N 0 3 246.354 2.397 20 30 BEEDHN C=CC[C@H](C)N1CCN(Cc2ccco2)CC1 ZINC000877925140 590448712 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GFPRWRTWEKJMHM-UHFFFAOYSA-N 0 3 219.328 2.447 20 30 BEEDHN COC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC000042338041 388086973 /nfs/dbraw/zinc/08/69/73/388086973.db2.gz VPCFIIIGIHSFLP-NSHDSACASA-N 0 3 218.300 2.025 20 30 BEEDHN C=CCC[C@@H](O)CN1CCO[C@H](C(C)(C)C)C1 ZINC000447835996 388096290 /nfs/dbraw/zinc/09/62/90/388096290.db2.gz VUPBZODKCRBDQB-OLZOCXBDSA-N 0 3 241.375 2.060 20 30 BEEDHN C[C@H](NCCn1cccn1)c1ccc(C#N)cc1 ZINC000042538717 388096998 /nfs/dbraw/zinc/09/69/98/388096998.db2.gz FIHNRHOJXMEQPW-LBPRGKRZSA-N 0 3 240.310 2.106 20 30 BEEDHN C=CCCCN[C@@H](CO)c1cccc(F)c1 ZINC000336661546 388105545 /nfs/dbraw/zinc/10/55/45/388105545.db2.gz BXVAWGYWGRDLKY-ZDUSSCGKSA-N 0 3 223.291 2.415 20 30 BEEDHN CC(C#N)C(=O)NC1(C)CCC(F)(F)CC1 ZINC000612335055 388050828 /nfs/dbraw/zinc/05/08/28/388050828.db2.gz BWBVXIDKTPGPEZ-QMMMGPOBSA-N 0 3 230.258 2.230 20 30 BEEDHN C=CC[C@@H](CO)CNCc1cccc(C)c1F ZINC000449198892 388156650 /nfs/dbraw/zinc/15/66/50/388156650.db2.gz AIGBRKRTZJPBLE-GFCCVEGCSA-N 0 3 237.318 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C=C(CC)CN(CCOC)[C@@H]1CCO[C@H]1C ZINC000489470572 388217727 /nfs/dbraw/zinc/21/77/27/388217727.db2.gz GBSUHAWUZPFRKL-QWHCGFSZSA-N 0 3 227.348 2.078 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)cc(F)c1 ZINC000449516635 388222083 /nfs/dbraw/zinc/22/20/83/388222083.db2.gz BKWOYYNDXDVFAT-OLZOCXBDSA-N 0 3 239.265 2.398 20 30 BEEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)C)CCCC1 ZINC000449521450 388223259 /nfs/dbraw/zinc/22/32/59/388223259.db2.gz RQPNPNXXACBJAI-GFCCVEGCSA-N 0 3 238.375 2.189 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccsc1 ZINC000449522571 388223455 /nfs/dbraw/zinc/22/34/55/388223455.db2.gz VLLTZWGHCFVZAH-MNOVXSKESA-N 0 3 209.314 2.181 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccccn1 ZINC000449547626 388230015 /nfs/dbraw/zinc/23/00/15/388230015.db2.gz JDKYRXHHICIURJ-YUTCNCBUSA-N 0 3 232.327 2.466 20 30 BEEDHN C=CCC1(NCc2cn(C)nn2)CCCCC1 ZINC000449576294 388236591 /nfs/dbraw/zinc/23/65/91/388236591.db2.gz RJXSPILWPBIPPY-UHFFFAOYSA-N 0 3 234.347 2.184 20 30 BEEDHN C#CCN(CC#CC)CC(C)(C)CCC#N ZINC000490923715 388260273 /nfs/dbraw/zinc/26/02/73/388260273.db2.gz LYYVTOPJILHRKE-UHFFFAOYSA-N 0 3 216.328 2.275 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccncc1 ZINC000451608813 388284035 /nfs/dbraw/zinc/28/40/35/388284035.db2.gz UFEYLNFGJRCTMF-UHTWSYAYSA-N 0 3 218.300 2.076 20 30 BEEDHN C#CC(C)(C)N(C)CCC(=O)OC(C)(C)C ZINC000491339645 388286346 /nfs/dbraw/zinc/28/63/46/388286346.db2.gz RHNAKELGVNDPPN-UHFFFAOYSA-N 0 3 225.332 2.062 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1ccc(OC)cc1 ZINC000491374724 388289655 /nfs/dbraw/zinc/28/96/55/388289655.db2.gz SJPFHWJUJLMXQD-LLVKDONJSA-N 0 3 203.285 2.149 20 30 BEEDHN CC1(C)COC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000451810214 388297577 /nfs/dbraw/zinc/29/75/77/388297577.db2.gz KRDOZGFROZWZBE-CQSZACIVSA-N 0 3 247.313 2.192 20 30 BEEDHN C#CCN(C)CC[C@H]1CC1(Cl)Cl ZINC000491494183 388298622 /nfs/dbraw/zinc/29/86/22/388298622.db2.gz BAJXZANRZNFZMW-QMMMGPOBSA-N 0 3 206.116 2.135 20 30 BEEDHN C#C[C@H](CC)NCc1cnc2c(C)cccn12 ZINC000491665264 388309527 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ACUCOGAABHBYMA-JTQLQIEISA-N 0 3 223.266 2.461 20 30 BEEDHN C#CCN(C)[C@@H](CCOC)c1ccccc1 ZINC000491776516 388319894 /nfs/dbraw/zinc/31/98/94/388319894.db2.gz WDNRWILEQQXVRL-AWEZNQCLSA-N 0 3 217.312 2.329 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1ccc2c(c1)CCO2 ZINC000491814321 388323328 /nfs/dbraw/zinc/32/33/28/388323328.db2.gz JPTAJQBMSXUTDU-LLVKDONJSA-N 0 3 215.296 2.075 20 30 BEEDHN C#C[C@@H](CC)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000491818050 388323521 /nfs/dbraw/zinc/32/35/21/388323521.db2.gz WUQCDMHGGOXNEU-OCCSQVGLSA-N 0 3 242.322 2.479 20 30 BEEDHN C=C(CC)CNC1(C(=O)N(C)C)CCCCC1 ZINC000451409947 388269977 /nfs/dbraw/zinc/26/99/77/388269977.db2.gz IPJDUYFNJLABOE-UHFFFAOYSA-N 0 3 238.375 2.333 20 30 BEEDHN C[C@@H]1C[C@@H](C)N1CCOc1cccc(C#N)c1 ZINC000548753433 388367717 /nfs/dbraw/zinc/36/77/17/388367717.db2.gz WSJJOGSAALUFQH-VXGBXAGGSA-N 0 3 230.311 2.420 20 30 BEEDHN C[C@H](CNc1snc(Cl)c1C#N)N(C)C ZINC000271285243 388380665 /nfs/dbraw/zinc/38/06/65/388380665.db2.gz HENFQNUYVNACIY-ZCFIWIBFSA-N 0 3 244.751 2.030 20 30 BEEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)[C@H]1C ZINC000595506106 388387945 /nfs/dbraw/zinc/38/79/45/388387945.db2.gz ZKIBCBHGHRRQFQ-RYUDHWBXSA-N 0 3 214.312 2.441 20 30 BEEDHN CC(C)[C@H]1C[C@@H](NCC(C)(C)C#N)CCO1 ZINC000164688029 388397080 /nfs/dbraw/zinc/39/70/80/388397080.db2.gz JNKDIBVYZQREMR-NWDGAFQWSA-N 0 3 224.348 2.329 20 30 BEEDHN C#C[C@@H](CC)NCc1ccc2c[nH]nc2c1 ZINC000309629611 388459757 /nfs/dbraw/zinc/45/97/57/388459757.db2.gz GRRICEDSSKDYHH-LBPRGKRZSA-N 0 3 213.284 2.064 20 30 BEEDHN C=C(C)[C@@H](CO)N(C)Cc1cccc(OC)c1 ZINC000649236556 388465295 /nfs/dbraw/zinc/46/52/95/388465295.db2.gz XXGOYXGGYPOYPQ-CQSZACIVSA-N 0 3 235.327 2.064 20 30 BEEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000309886744 388467406 /nfs/dbraw/zinc/46/74/06/388467406.db2.gz YUNXWVVRZZZICL-NTZNESFSSA-N 0 3 215.300 2.424 20 30 BEEDHN C[C@H](N[C@@H]1CCC[C@H]1O)c1ccc(C#N)c(F)c1 ZINC000271943770 388414609 /nfs/dbraw/zinc/41/46/09/388414609.db2.gz MPJVLYAZPPJXDQ-CUOATXAZSA-N 0 3 248.301 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CC#CCNC1(c2ccccc2)CCOCC1 ZINC000548159392 388518745 /nfs/dbraw/zinc/51/87/45/388518745.db2.gz WMPYVGBQTJHUEE-UHFFFAOYSA-N 0 3 229.323 2.305 20 30 BEEDHN CCC[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000296196545 388601165 /nfs/dbraw/zinc/60/11/65/388601165.db2.gz BTKZHLMCFYPCCE-CQSZACIVSA-N 0 3 232.327 2.151 20 30 BEEDHN C=CCNC(=O)[C@@H](C)N(CC)C[C@@H](C)CC ZINC000245762710 388603616 /nfs/dbraw/zinc/60/36/16/388603616.db2.gz IWYOMTPDULXIQV-NWDGAFQWSA-N 0 3 226.364 2.045 20 30 BEEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000550453724 388608958 /nfs/dbraw/zinc/60/89/58/388608958.db2.gz GCFYFVGQTXCLLK-GFCCVEGCSA-N 0 3 238.375 2.047 20 30 BEEDHN C=CCCCN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528787836 388573546 /nfs/dbraw/zinc/57/35/46/388573546.db2.gz IBDUCASSFGWJGV-LBPRGKRZSA-N 0 3 233.315 2.285 20 30 BEEDHN N#CCCCCN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528787056 388573689 /nfs/dbraw/zinc/57/36/89/388573689.db2.gz FCCNFTNYBAWSEE-GFCCVEGCSA-N 0 3 246.314 2.013 20 30 BEEDHN CC#CCN[C@H](c1ccc(OC)nc1)C1CC1 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245.326 2.132 20 30 BEEDHN FC(F)(F)C1CCC(=Nn2cnnc2)CC1 ZINC000766009743 585495665 /nfs/dbraw/zinc/49/56/65/585495665.db2.gz NMZXGSNMLDWKOZ-UHFFFAOYSA-N 0 3 232.209 2.235 20 30 BEEDHN CC(C)[C@@H]1CC(=NNC(=N)N)c2ccccc21 ZINC000766435102 585502461 /nfs/dbraw/zinc/50/24/61/585502461.db2.gz YJAGLTNXKXXOLL-NSHDSACASA-N 0 3 230.315 2.017 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1cc(C)cc(OC)c1O ZINC000766666578 585505072 /nfs/dbraw/zinc/50/50/72/585505072.db2.gz WQEKUPCZWWNLAI-LLVKDONJSA-N 0 3 233.311 2.163 20 30 BEEDHN C#CCCCNC(C)(C)C(=O)Nc1ccccc1 ZINC000766919009 585511428 /nfs/dbraw/zinc/51/14/28/585511428.db2.gz ARUIZNLTZKOZBZ-UHFFFAOYSA-N 0 3 244.338 2.407 20 30 BEEDHN C#CCCCN(C)[C@@H]1CCCc2c1cnn2C ZINC000766930256 585512056 /nfs/dbraw/zinc/51/20/56/585512056.db2.gz DBFJKYZUEZUUHS-CYBMUJFWSA-N 0 3 231.343 2.143 20 30 BEEDHN C#CCN(CC)Cc1ccc2c(c1)COC2 ZINC000769111513 585549412 /nfs/dbraw/zinc/54/94/12/585549412.db2.gz QBFYSSFQHCTQIS-UHFFFAOYSA-N 0 3 215.296 2.172 20 30 BEEDHN C#CCN(C)CCc1ccccc1CC ZINC000769800069 585563848 /nfs/dbraw/zinc/56/38/48/585563848.db2.gz JHYHFJIZETZBPW-UHFFFAOYSA-N 0 3 201.313 2.357 20 30 BEEDHN N#C[C@@H]1CC[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000769945223 585566806 /nfs/dbraw/zinc/56/68/06/585566806.db2.gz RLIKTPYNNNOPEE-RISCZKNCSA-N 0 3 242.322 2.403 20 30 BEEDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000769945697 585566852 /nfs/dbraw/zinc/56/68/52/585566852.db2.gz SCPMFQXORSBNLI-WCQYABFASA-N 0 3 230.311 2.483 20 30 BEEDHN C#C[C@H](C)N(C)CCCOc1ccc(C#N)cc1 ZINC000769960641 585567445 /nfs/dbraw/zinc/56/74/45/585567445.db2.gz GADGRKWTIHBLBQ-ZDUSSCGKSA-N 0 3 242.322 2.281 20 30 BEEDHN C#CCC(C)(C)C(=O)OCCN1CCCCC1 ZINC000770416336 585574096 /nfs/dbraw/zinc/57/40/96/585574096.db2.gz BDTKGSFVAUURIO-UHFFFAOYSA-N 0 3 237.343 2.065 20 30 BEEDHN C#CCCNC(C)(C)c1nc2ccccc2n1C ZINC000770663445 585579412 /nfs/dbraw/zinc/57/94/12/585579412.db2.gz DQKSVVHQFJTNFZ-UHFFFAOYSA-N 0 3 241.338 2.421 20 30 BEEDHN CCN(CC)CC#C[C@@H](C)OC(=O)/C=C\C1CC1 ZINC000770803406 585581873 /nfs/dbraw/zinc/58/18/73/585581873.db2.gz KSSLZSXXKCIRQF-BSYHEUMXSA-N 0 3 249.354 2.230 20 30 BEEDHN CO[C@@H](C)[C@@H](C)NCc1cc(C#N)ccc1F ZINC000773030910 585629813 /nfs/dbraw/zinc/62/98/13/585629813.db2.gz YIJIOQJJEANBHD-ZJUUUORDSA-N 0 3 236.290 2.210 20 30 BEEDHN C=C(CN(C)C)C(=O)NC[C@H](C)c1ccccc1 ZINC000774087830 585650203 /nfs/dbraw/zinc/65/02/03/585650203.db2.gz CGGAGKWXOHYXIA-LBPRGKRZSA-N 0 3 246.354 2.024 20 30 BEEDHN C#CCCCN[C@H](C)c1cc(C(=O)OC)co1 ZINC000774212473 585654038 /nfs/dbraw/zinc/65/40/38/585654038.db2.gz KJBGPHADAAIDEB-SNVBAGLBSA-N 0 3 235.283 2.130 20 30 BEEDHN C[C@H]1CCOCCN1Cc1ccc(C#N)cc1 ZINC000775567384 585679793 /nfs/dbraw/zinc/67/97/93/585679793.db2.gz HCCPEDUZBXTJIM-LBPRGKRZSA-N 0 3 230.311 2.169 20 30 BEEDHN C[C@@H]1CCOCCN1Cc1ccc(C#N)cc1 ZINC000775567383 585679861 /nfs/dbraw/zinc/67/98/61/585679861.db2.gz HCCPEDUZBXTJIM-GFCCVEGCSA-N 0 3 230.311 2.169 20 30 BEEDHN C#C[C@H](N[C@H]1CCc2ccccc21)[C@@H]1CCCO1 ZINC000775572389 585680243 /nfs/dbraw/zinc/68/02/43/585680243.db2.gz ALQBMWKTAVARLQ-JYJNAYRXSA-N 0 3 241.334 2.444 20 30 BEEDHN C=C(C)CCN(C)Cc1cccc(C(N)=O)c1 ZINC000775578334 585680933 /nfs/dbraw/zinc/68/09/33/585680933.db2.gz VMHLXXHTWBTYEO-UHFFFAOYSA-N 0 3 232.327 2.184 20 30 BEEDHN C#CCCN1CCN(C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000776592518 585702188 /nfs/dbraw/zinc/70/21/88/585702188.db2.gz IMSFEAFSPXEKRU-HZPDHXFCSA-N 0 3 248.414 2.454 20 30 BEEDHN Cc1cc(C#N)ccc1CN1CCOCC[C@H]1C ZINC000776798701 585705595 /nfs/dbraw/zinc/70/55/95/585705595.db2.gz MQQNHGQFMJSINI-CYBMUJFWSA-N 0 3 244.338 2.478 20 30 BEEDHN C=C(C)CN(C)C[C@H](O)c1cccc(F)c1 ZINC000778230140 585728476 /nfs/dbraw/zinc/72/84/76/585728476.db2.gz DZXUBQNKUOWZKP-ZDUSSCGKSA-N 0 3 223.291 2.367 20 30 BEEDHN C=CC[N@@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000779188220 585746593 /nfs/dbraw/zinc/74/65/93/585746593.db2.gz ICZDAWZHUDJDGE-UHFFFAOYSA-N 0 3 221.300 2.409 20 30 BEEDHN C=CC[N@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000779188220 585746594 /nfs/dbraw/zinc/74/65/94/585746594.db2.gz ICZDAWZHUDJDGE-UHFFFAOYSA-N 0 3 221.300 2.409 20 30 BEEDHN C[C@H](CCO)N[C@@H](CCC#N)c1ccccc1 ZINC000779411030 585753804 /nfs/dbraw/zinc/75/38/04/585753804.db2.gz CMUVSNMJBKLMGG-OCCSQVGLSA-N 0 3 232.327 2.392 20 30 BEEDHN CC(=NNC1=N[C@@H](C)CN1)[C@H](C)c1ccccc1 ZINC000779792301 585763793 /nfs/dbraw/zinc/76/37/93/585763793.db2.gz KTABVFKPDPSTCZ-QWRGUYRKSA-N 0 3 244.342 2.103 20 30 BEEDHN CCCC[C@@H]1CCCC1=NNC1=N[C@H](C)CN1 ZINC000779792484 585763990 /nfs/dbraw/zinc/76/39/90/585763990.db2.gz SFJOKALVGOYQFL-GHMZBOCLSA-N 0 3 236.363 2.270 20 30 BEEDHN C[C@@H]1CNC(NN=CC2CCC(C)(C)CC2)=N1 ZINC000779793830 585764156 /nfs/dbraw/zinc/76/41/56/585764156.db2.gz APXYWAGXCINYOO-SNVBAGLBSA-N 0 3 236.363 2.126 20 30 BEEDHN CC(=NN[C@H]1CCCOC1)c1ccc(N)cc1C ZINC000780261743 585775759 /nfs/dbraw/zinc/77/57/59/585775759.db2.gz KWKWLCXYUBEXTD-ZDUSSCGKSA-N 0 3 247.342 2.070 20 30 BEEDHN Cc1nc2c(s1)[C@@H](NC(=O)C(C)C#N)CCC2 ZINC000780790587 585784810 /nfs/dbraw/zinc/78/48/10/585784810.db2.gz XQMWCAZLRJGHJZ-XVKPBYJWSA-N 0 3 249.339 2.105 20 30 BEEDHN C#CCCN1CCC[C@@H]1c1cccnc1 ZINC000805746679 585835715 /nfs/dbraw/zinc/83/57/15/585835715.db2.gz FQZAFOYFDNXFHL-CYBMUJFWSA-N 0 3 200.285 2.242 20 30 BEEDHN C#C[C@H](N[C@@H]1CCC12CCCC2)[C@H]1CCCO1 ZINC000788979425 585932790 /nfs/dbraw/zinc/93/27/90/585932790.db2.gz GHUZIPONCAGWKA-BFHYXJOUSA-N 0 3 233.355 2.480 20 30 BEEDHN CCCCOc1ccc(C(C)=NNC(=N)N)cc1 ZINC000788992412 585932975 /nfs/dbraw/zinc/93/29/75/585932975.db2.gz ZLCJFNAFDAMZDA-UHFFFAOYSA-N 0 3 248.330 2.073 20 30 BEEDHN C#CC(C)(C)N(C)C[C@@H](OCC)C1CC1 ZINC000859281367 589026788 /nfs/dbraw/zinc/02/67/88/589026788.db2.gz UHIBFPZPSODUGU-GFCCVEGCSA-N 0 3 209.333 2.145 20 30 BEEDHN CC1=C[C@@H](C)C[C@@H](C=Nn2cnnc2)C1 ZINC000789639142 585947546 /nfs/dbraw/zinc/94/75/46/585947546.db2.gz IEAYOSGRDUSFHD-MWLCHTKSSA-N 0 3 204.277 2.104 20 30 BEEDHN C=CCN(C(C)C)[C@@H]1CCCN(C(C)C)C1=O ZINC000790265845 585962107 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DPEKMCZBXATMJV-OAHLLOKOSA-N 0 3 229.323 2.279 20 30 BEEDHN C#C[C@H](N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000812835146 586587804 /nfs/dbraw/zinc/58/78/04/586587804.db2.gz NPIQQAOEGWTTMR-QXSJWSMHSA-N 0 3 241.334 2.313 20 30 BEEDHN CC#CCN(CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850118 586588062 /nfs/dbraw/zinc/58/80/62/586588062.db2.gz LLOULODFLOTVJG-UKRRQHHQSA-N 0 3 231.339 2.454 20 30 BEEDHN CCCNN=C(C)c1ccc(CN(C)C)cc1 ZINC000814804488 586635783 /nfs/dbraw/zinc/63/57/83/586635783.db2.gz RDEYZBVNKGYWOH-UHFFFAOYSA-N 0 3 233.359 2.472 20 30 BEEDHN C=CCC1(NCc2cnon2)CCCCC1 ZINC000859745032 589058205 /nfs/dbraw/zinc/05/82/05/589058205.db2.gz KYJKGFUWIRJWHW-UHFFFAOYSA-N 0 3 221.304 2.438 20 30 BEEDHN C=C(C)CNN=C1CCCc2ccc(N)cc21 ZINC000814932818 586653787 /nfs/dbraw/zinc/65/37/87/586653787.db2.gz UEFQULFIMYNPSS-UHFFFAOYSA-N 0 3 229.327 2.475 20 30 BEEDHN N#C[C@H]1CC[C@@H](N2CCC(n3cccn3)CC2)C1 ZINC000815044511 586664629 /nfs/dbraw/zinc/66/46/29/586664629.db2.gz CXGBDOSKMMQUHS-GXTWGEPZSA-N 0 3 244.342 2.212 20 30 BEEDHN N#CCCOCCNC1(c2ccc(F)cc2)CC1 ZINC000815069400 586665209 /nfs/dbraw/zinc/66/52/09/586665209.db2.gz UBMVCVIZCAPFDQ-UHFFFAOYSA-N 0 3 248.301 2.335 20 30 BEEDHN C=CC[C@H](C)[C@@H](C)NCc1nn(CC)nc1C ZINC000818345000 586887095 /nfs/dbraw/zinc/88/70/95/586887095.db2.gz RYOZJTIZMKXSLF-WDEREUQCSA-N 0 3 236.363 2.297 20 30 BEEDHN C=CCC[C@H](NCc1nn(CC)nc1C)C1CC1 ZINC000818345953 586887154 /nfs/dbraw/zinc/88/71/54/586887154.db2.gz YTBLGSFCYNXHAM-ZDUSSCGKSA-N 0 3 248.374 2.441 20 30 BEEDHN C=CCOCCNC[C@@H](O)c1cc(C)cc(C)c1 ZINC000819217860 586939649 /nfs/dbraw/zinc/93/96/49/586939649.db2.gz HDNGYDPGTMFVQN-OAHLLOKOSA-N 0 3 249.354 2.129 20 30 BEEDHN C#CCCCCN[C@H](C)c1cc(OC)no1 ZINC000820821179 587075129 /nfs/dbraw/zinc/07/51/29/587075129.db2.gz CWEBAJBTIRRDDR-SNVBAGLBSA-N 0 3 222.288 2.137 20 30 BEEDHN C=C[C@H](CC)CC(=O)N(C)C[C@H]1CCCN1C ZINC000823134183 587205013 /nfs/dbraw/zinc/20/50/13/587205013.db2.gz WERZQSKBQQFYAY-CHWSQXEVSA-N 0 3 238.375 2.141 20 30 BEEDHN C#CCCN(CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000823503824 587228083 /nfs/dbraw/zinc/22/80/83/587228083.db2.gz YRZXWDRBVSVZRI-AWEZNQCLSA-N 0 3 237.343 2.063 20 30 BEEDHN C=C(C)CCNCc1cnc([C@H](C)O)s1 ZINC000824750904 587285778 /nfs/dbraw/zinc/28/57/78/587285778.db2.gz POYBUQLMVDHEBY-VIFPVBQESA-N 0 3 226.345 2.252 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000824953847 587294578 /nfs/dbraw/zinc/29/45/78/587294578.db2.gz MGQPJVGBXYSNPY-OCCSQVGLSA-N 0 3 233.311 2.215 20 30 BEEDHN C=CCC[C@@H](CO)NCc1cccnc1Cl ZINC000825168796 587307194 /nfs/dbraw/zinc/30/71/94/587307194.db2.gz OUUMWHHECRDTBW-NSHDSACASA-N 0 3 240.734 2.152 20 30 BEEDHN C#C[C@@H](C)NCc1ccc(O[C@@H](C)COC)cc1 ZINC000825878343 587343399 /nfs/dbraw/zinc/34/33/99/587343399.db2.gz KBXCCLUJCCUJTP-OLZOCXBDSA-N 0 3 247.338 2.212 20 30 BEEDHN CC(C#N)C(=O)NCc1ccc(C(C)(C)C)o1 ZINC000826909121 587365231 /nfs/dbraw/zinc/36/52/31/587365231.db2.gz WTBBFZYOSPLWJF-SECBINFHSA-N 0 3 234.299 2.353 20 30 BEEDHN Cc1cc(O)c(CN2CC(CC#N)C2)cc1C 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FIUWUWBUMBGPCE-UHFFFAOYSA-N 0 3 219.284 2.230 20 30 BEEDHN C#Cc1cccc(CN[C@@H]2COC(C)(C)C2)c1 ZINC000841886394 587981389 /nfs/dbraw/zinc/98/13/89/587981389.db2.gz PQWAKVGPKPKULT-AWEZNQCLSA-N 0 3 229.323 2.325 20 30 BEEDHN CC[C@H]1CCCC[C@@H]1C=Nn1cnnc1 ZINC000842523142 588032613 /nfs/dbraw/zinc/03/26/13/588032613.db2.gz VELOWIQKTLLCGR-WDEREUQCSA-N 0 3 206.293 2.328 20 30 BEEDHN C#CCCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000842847298 588069478 /nfs/dbraw/zinc/06/94/78/588069478.db2.gz WRPLTBRSFWHZTD-GFCCVEGCSA-N 0 3 231.343 2.283 20 30 BEEDHN C#CC[C@@H]1CCCN(Cc2cnn(C=C)c2)C1 ZINC000843422917 588107649 /nfs/dbraw/zinc/10/76/49/588107649.db2.gz JFWYPTPAABCTLC-CYBMUJFWSA-N 0 3 229.327 2.219 20 30 BEEDHN C=C(C)CON=Cc1cnccc1N(C)C ZINC000844618595 588208490 /nfs/dbraw/zinc/20/84/90/588208490.db2.gz XPQOKLIGMXCOEX-UHFFFAOYSA-N 0 3 219.288 2.074 20 30 BEEDHN CC(C)(C)N1CC[C@@H]1COC(=O)CCCC#N ZINC000845727461 588242768 /nfs/dbraw/zinc/24/27/68/588242768.db2.gz BKGWNLNHHSEKAV-LLVKDONJSA-N 0 3 238.331 2.096 20 30 BEEDHN C[C@H](C[C@@H]1CCOC1)NCC1(C#N)CCCC1 ZINC000846011784 588253327 /nfs/dbraw/zinc/25/33/27/588253327.db2.gz ZEUKOBGAYDKOMD-OLZOCXBDSA-N 0 3 236.359 2.475 20 30 BEEDHN C[C@@H]1CN(C2CC2)C[C@H]1NCC1(C#N)CCCC1 ZINC000846010267 588253360 /nfs/dbraw/zinc/25/33/60/588253360.db2.gz HUVBDCKIJQXEME-TZMCWYRMSA-N 0 3 247.386 2.143 20 30 BEEDHN COc1cccc([C@H](C)[NH2+]CCCC#N)c1[O-] ZINC000846161982 588258912 /nfs/dbraw/zinc/25/89/12/588258912.db2.gz DMUXVFOHOHYQFU-JTQLQIEISA-N 0 3 234.299 2.355 20 30 BEEDHN CC(C#N)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000846588298 588278408 /nfs/dbraw/zinc/27/84/08/588278408.db2.gz QYUIJLFRYACQNY-YUMQZZPRSA-N 0 3 249.141 2.236 20 30 BEEDHN CCN1CCN(c2ccc(C#N)cc2C)[C@H](C)C1 ZINC000846755078 588286038 /nfs/dbraw/zinc/28/60/38/588286038.db2.gz FVKNOKVDFBHDJG-CYBMUJFWSA-N 0 3 243.354 2.397 20 30 BEEDHN C#C[C@H]1CCCN(CCc2csc(C)n2)C1 ZINC000847021059 588302796 /nfs/dbraw/zinc/30/27/96/588302796.db2.gz IDZCEZYBQYXZPH-LBPRGKRZSA-N 0 3 234.368 2.339 20 30 BEEDHN C#C[C@H]1CCCN(CCOCCC(C)C)C1 ZINC000847023008 588303100 /nfs/dbraw/zinc/30/31/00/588303100.db2.gz KMQNYBLEZSUKEM-AWEZNQCLSA-N 0 3 223.360 2.394 20 30 BEEDHN C#C[C@@H]1CCCN(C[C@@H](O)c2ccccc2F)C1 ZINC000847024709 588303675 /nfs/dbraw/zinc/30/36/75/588303675.db2.gz RRFFECDEFSXBJH-IUODEOHRSA-N 0 3 247.313 2.204 20 30 BEEDHN C#C[C@@H]1CCCN(C[C@H](O)c2ccccc2F)C1 ZINC000847024708 588303821 /nfs/dbraw/zinc/30/38/21/588303821.db2.gz RRFFECDEFSXBJH-DOMZBBRYSA-N 0 3 247.313 2.204 20 30 BEEDHN c1ccc(N=NC2CCCN3CCCC[C@@H]23)nc1 ZINC000848401052 588378300 /nfs/dbraw/zinc/37/83/00/588378300.db2.gz SMGPMGLNUPYIQU-ZDUSSCGKSA-N 0 3 244.342 2.498 20 30 BEEDHN FC(F)CON=C1CCCN2CCCC[C@@H]12 ZINC000848408435 588378872 /nfs/dbraw/zinc/37/88/72/588378872.db2.gz NLGVMNKRRMSTMU-JTQLQIEISA-N 0 3 232.274 2.272 20 30 BEEDHN FC(F)CON=C1CCCN2CCCC[C@H]12 ZINC000848408436 588379131 /nfs/dbraw/zinc/37/91/31/588379131.db2.gz NLGVMNKRRMSTMU-SNVBAGLBSA-N 0 3 232.274 2.272 20 30 BEEDHN 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BEEDHN C[C@H](CCCC#N)N1C[C@@H](C)O[C@@H](C)C1 ZINC001172491324 974836981 /nfs/dbraw/zinc/83/69/81/974836981.db2.gz MVLJCBZCIMHSQG-UTUOFQBUSA-N 0 3 210.321 2.178 20 30 BEEDHN C=CCN(C(=O)C1CCN(C2CC2)CC1)C1CC1 ZINC000338811029 386149937 /nfs/dbraw/zinc/14/99/37/386149937.db2.gz BZWYNGCMNHHLHR-UHFFFAOYSA-N 0 3 248.370 2.038 20 30 BEEDHN N#C[C@@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccco2)C1 ZINC000414351730 386155103 /nfs/dbraw/zinc/15/51/03/386155103.db2.gz SBRFHDMWRRNOOA-WRWGMCAJSA-N 0 3 216.284 2.417 20 30 BEEDHN C=CC[C@@H](C)NCc1cc(C(=O)OC)co1 ZINC000164657825 386156855 /nfs/dbraw/zinc/15/68/55/386156855.db2.gz WVFZIDQMJFSEHO-SECBINFHSA-N 0 3 223.272 2.120 20 30 BEEDHN C=C(CC)CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000416008332 386177593 /nfs/dbraw/zinc/17/75/93/386177593.db2.gz MHHVISGZKUSTMV-UHFFFAOYSA-N 0 3 245.326 2.378 20 30 BEEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1nnc(CC)[n-]1 ZINC000296069865 386132871 /nfs/dbraw/zinc/13/28/71/386132871.db2.gz PTVWMTZTHHMBEP-UWVGGRQHSA-N 0 3 222.336 2.057 20 30 BEEDHN 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ZINC000658104069 411246658 /nfs/dbraw/zinc/24/66/58/411246658.db2.gz YSTDCMUSFKTGOA-USZNOCQGSA-N 0 3 234.347 2.474 20 30 BEEDHN C=CCCn1cc(CNC2CCCCC2)nn1 ZINC000656452190 411273435 /nfs/dbraw/zinc/27/34/35/411273435.db2.gz BJLZQEUXMSBBKR-UHFFFAOYSA-N 0 3 234.347 2.277 20 30 BEEDHN C=C[C@@H](C)NCc1ccc2c(n1)CCC2 ZINC000656505218 411287723 /nfs/dbraw/zinc/28/77/23/411287723.db2.gz RZNRNIXDVORSNZ-SNVBAGLBSA-N 0 3 202.301 2.234 20 30 BEEDHN C=CCOCCCN[C@H](C)c1cncnc1C ZINC000658206606 411293647 /nfs/dbraw/zinc/29/36/47/411293647.db2.gz PAQSCQRNRAVFIQ-LLVKDONJSA-N 0 3 235.331 2.028 20 30 BEEDHN C=CCOCCCN[C@H](c1nccn1C)C1CC1 ZINC000658210330 411294505 /nfs/dbraw/zinc/29/45/05/411294505.db2.gz QIIXAWVWVSQNMO-ZDUSSCGKSA-N 0 3 249.358 2.054 20 30 BEEDHN C=CCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000658115932 411249049 /nfs/dbraw/zinc/24/90/49/411249049.db2.gz XTJPYGQQUHWKPB-LLVKDONJSA-N 0 3 219.332 2.446 20 30 BEEDHN C=C(C)CCN[C@@H]1CCCn2ccnc21 ZINC000655772907 411255694 /nfs/dbraw/zinc/25/56/94/411255694.db2.gz NLATWHZBDDQQIB-LLVKDONJSA-N 0 3 205.305 2.274 20 30 BEEDHN C=C[C@H](CO)NCCSc1ccccc1F ZINC000662166255 411370578 /nfs/dbraw/zinc/37/05/78/411370578.db2.gz XQXHXYMOLYOVMY-SNVBAGLBSA-N 0 3 241.331 2.054 20 30 BEEDHN CC1(C)[C@@H](NCc2ccc(C#N)o2)[C@@H]2CCO[C@@H]21 ZINC000174424971 167996245 /nfs/dbraw/zinc/99/62/45/167996245.db2.gz KPMNVPWVEWEGQQ-AVGNSLFASA-N 0 3 246.310 2.054 20 30 BEEDHN C=C[C@H](CO)N[C@H](C)c1cc2ccncc2s1 ZINC000658334534 411342665 /nfs/dbraw/zinc/34/26/65/411342665.db2.gz LVUGOHBVYWUWHL-MWLCHTKSSA-N 0 3 248.351 2.494 20 30 BEEDHN CC1(CNCc2ccc(C#N)o2)CCOCC1 ZINC000227834836 168042331 /nfs/dbraw/zinc/04/23/31/168042331.db2.gz BYUFVFYGFFTTOQ-UHFFFAOYSA-N 0 3 234.299 2.058 20 30 BEEDHN CC1=CCN(CCNc2ccc(C#N)cn2)CC1 ZINC000302147634 168113236 /nfs/dbraw/zinc/11/32/36/168113236.db2.gz KBEMXOAENJEGNB-UHFFFAOYSA-N 0 3 242.326 2.017 20 30 BEEDHN CC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000034673826 168182297 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YRBXEFJKOILOLN-WCQYABFASA-N 0 3 234.347 2.040 20 30 BEEDHN C=CCC1(NCc2nc(C)c(C)[nH]2)CCOCC1 ZINC000657634289 411567524 /nfs/dbraw/zinc/56/75/24/411567524.db2.gz GNATXYZDJRPNMB-UHFFFAOYSA-N 0 3 249.358 2.241 20 30 BEEDHN C=CCOCCCNCc1cn2ccccc2n1 ZINC000657658435 411572545 /nfs/dbraw/zinc/57/25/45/411572545.db2.gz XUZWLYMXWIBYGF-UHFFFAOYSA-N 0 3 245.326 2.017 20 30 BEEDHN C=CCOCCCNCc1cnc(C2CC2)nc1 ZINC000657659173 411572570 /nfs/dbraw/zinc/57/25/70/411572570.db2.gz PUIFZMAGJNVUHZ-UHFFFAOYSA-N 0 3 247.342 2.036 20 30 BEEDHN C=CCN(CCOC)C[C@H](OC)C1CCCC1 ZINC000660403099 411580034 /nfs/dbraw/zinc/58/00/34/411580034.db2.gz OAYPPWMQMVBWGL-AWEZNQCLSA-N 0 3 241.375 2.326 20 30 BEEDHN C=C[C@H](CO)NCc1cc2ccc(C)cc2[nH]1 ZINC000657794848 411599687 /nfs/dbraw/zinc/59/96/87/411599687.db2.gz XQVWUWBVPGVYIA-GFCCVEGCSA-N 0 3 230.311 2.113 20 30 BEEDHN C=CC[C@@H]1CCCN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC000661384338 411763926 /nfs/dbraw/zinc/76/39/26/411763926.db2.gz IFVQYYPYSUTKSB-CMPLNLGQSA-N 0 3 234.347 2.462 20 30 BEEDHN C=C(C)CCN1CCO[C@@](C)(C2CC2)C1 ZINC000661168134 411726423 /nfs/dbraw/zinc/72/64/23/411726423.db2.gz MMPNPHLQLDWGIY-CYBMUJFWSA-N 0 3 209.333 2.454 20 30 BEEDHN C=CCN(CCCCS(C)(=O)=O)C(C)(C)C ZINC000661756590 411865986 /nfs/dbraw/zinc/86/59/86/411865986.db2.gz RSKXZVZLGNXAMV-UHFFFAOYSA-N 0 3 247.404 2.098 20 30 BEEDHN C=C(C)CN1CCC2(CCCC2=O)CC1 ZINC000661952419 411918387 /nfs/dbraw/zinc/91/83/87/411918387.db2.gz XLVYUJSPSHHEMB-UHFFFAOYSA-N 0 3 207.317 2.398 20 30 BEEDHN C=CCN([C@@H]1CCN(CC=C)C1=O)C(C)(C)C ZINC000661759992 411871046 /nfs/dbraw/zinc/87/10/46/411871046.db2.gz NTMMIAVGVBDZNN-GFCCVEGCSA-N 0 3 236.359 2.060 20 30 BEEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cnn(C)c1 ZINC000662084938 411982308 /nfs/dbraw/zinc/98/23/08/411982308.db2.gz YEYJTZXGIGHHHW-BETUJISGSA-N 0 3 217.316 2.103 20 30 BEEDHN C=CCCN[C@@H](CO)c1ccc(F)cc1F ZINC000662166857 412016045 /nfs/dbraw/zinc/01/60/45/412016045.db2.gz VOUSSLGUEKRSOC-LBPRGKRZSA-N 0 3 227.254 2.164 20 30 BEEDHN COCC#CCN(C)C[C@@H]1CCc2ccccc21 ZINC000662196458 412023652 /nfs/dbraw/zinc/02/36/52/412023652.db2.gz BCGCLAYVRPUGLB-HNNXBMFYSA-N 0 3 243.350 2.298 20 30 BEEDHN C=C(C)CCN1CCc2c(cccc2C(N)=O)C1 ZINC000662298845 412085955 /nfs/dbraw/zinc/08/59/55/412085955.db2.gz QTBLUSFJPRETJO-UHFFFAOYSA-N 0 3 244.338 2.110 20 30 BEEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC2CC1(C)C2 ZINC000662380760 412133678 /nfs/dbraw/zinc/13/36/78/412133678.db2.gz KITKRJVKHBWODS-DNOWBOINSA-N 0 3 248.370 2.060 20 30 BEEDHN CN1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000061850790 173015899 /nfs/dbraw/zinc/01/58/99/173015899.db2.gz AXBVWJZIUGSRIQ-UHFFFAOYSA-N 0 3 249.745 2.354 20 30 BEEDHN CN1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000104137080 173086293 /nfs/dbraw/zinc/08/62/93/173086293.db2.gz OLEDMXIBYHMGOQ-UHFFFAOYSA-N 0 3 243.354 2.084 20 30 BEEDHN COCC1(NCc2cccc(C#N)c2)CCC1 ZINC000284047484 174110149 /nfs/dbraw/zinc/11/01/49/174110149.db2.gz PDPJXNVMYVZNPI-UHFFFAOYSA-N 0 3 230.311 2.217 20 30 BEEDHN COC[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000361828281 174506180 /nfs/dbraw/zinc/50/61/80/174506180.db2.gz KJKMVSKNKURREO-GFCCVEGCSA-N 0 3 248.301 2.166 20 30 BEEDHN CO[C@H](CNCc1cc(C#N)n(C)c1)C(C)(C)C ZINC000191256607 174866772 /nfs/dbraw/zinc/86/67/72/174866772.db2.gz NTEAHXXJOYWPFG-CYBMUJFWSA-N 0 3 249.358 2.047 20 30 BEEDHN C[C@@H](NCc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000020206848 175897327 /nfs/dbraw/zinc/89/73/27/175897327.db2.gz IQNHLAIQHBYZBC-RISCZKNCSA-N 0 3 230.311 2.215 20 30 BEEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](O)C2(CC2)C1 ZINC000336609820 176012864 /nfs/dbraw/zinc/01/28/64/176012864.db2.gz RYWJSMZZSMIVMW-SMDDNHRTSA-N 0 3 242.322 2.076 20 30 BEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CO)CC1 ZINC000265482609 176013030 /nfs/dbraw/zinc/01/30/30/176013030.db2.gz MARFHVUCVXWCTI-LBPRGKRZSA-N 0 3 244.338 2.324 20 30 BEEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](O)C(C)(C)C1 ZINC000279916718 176013505 /nfs/dbraw/zinc/01/35/05/176013505.db2.gz WBFWGFAOQZWJFY-SMDDNHRTSA-N 0 3 244.338 2.322 20 30 BEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(O)CC1 ZINC000189349047 176016907 /nfs/dbraw/zinc/01/69/07/176016907.db2.gz ICISZDALUYPCHF-NSHDSACASA-N 0 3 230.311 2.076 20 30 BEEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CO)C1 ZINC000189340903 176017065 /nfs/dbraw/zinc/01/70/65/176017065.db2.gz BYYLMYJQSYXPFP-JSGCOSHPSA-N 0 3 244.338 2.324 20 30 BEEDHN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(C#N)cc1 ZINC000191277184 176055126 /nfs/dbraw/zinc/05/51/26/176055126.db2.gz FPZHISSKVMTFDG-VXGBXAGGSA-N 0 3 244.338 2.292 20 30 BEEDHN C[C@@H]1CCC[C@@H](CO)N1Cc1cccc(C#N)c1 ZINC000136163020 176119657 /nfs/dbraw/zinc/11/96/57/176119657.db2.gz XMEWCVGOJVUPCQ-DOMZBBRYSA-N 0 3 244.338 2.294 20 30 BEEDHN C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)[C@@H]1C ZINC000191436535 176174335 /nfs/dbraw/zinc/17/43/35/176174335.db2.gz QXUZCZLQTNFFAU-GHMZBOCLSA-N 0 3 217.316 2.127 20 30 BEEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000271140811 176174892 /nfs/dbraw/zinc/17/48/92/176174892.db2.gz PCRVRGAUOYIBOG-SECBINFHSA-N 0 3 206.314 2.462 20 30 BEEDHN C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1 ZINC000061845589 176319380 /nfs/dbraw/zinc/31/93/80/176319380.db2.gz CZXKASDAWBCGAA-SECBINFHSA-N 0 3 235.718 2.010 20 30 BEEDHN C[C@@H]1COCC[C@@H]1NCC#Cc1ccccc1 ZINC000277628931 176340135 /nfs/dbraw/zinc/34/01/35/176340135.db2.gz YUJTXAAWHRKIGO-HIFRSBDPSA-N 0 3 229.323 2.053 20 30 BEEDHN C[C@@H]1COCC[C@H]1NCC#Cc1ccccc1 ZINC000277628933 176344413 /nfs/dbraw/zinc/34/44/13/176344413.db2.gz YUJTXAAWHRKIGO-UKRRQHHQSA-N 0 3 229.323 2.053 20 30 BEEDHN C[C@@H]1C[C@@H](CN2CCC(F)(C#N)CC2)CCO1 ZINC000352485571 176369018 /nfs/dbraw/zinc/36/90/18/176369018.db2.gz ZWGLSMUGOYVXRJ-NEPJUHHUSA-N 0 3 240.322 2.129 20 30 BEEDHN C[C@H]1CN(Cc2cc(C#N)n(C)c2)CC[C@@H]1C ZINC000191376198 177164196 /nfs/dbraw/zinc/16/41/96/177164196.db2.gz GBIRZGZCEOCYPL-RYUDHWBXSA-N 0 3 231.343 2.375 20 30 BEEDHN C[C@H]1CC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000309105640 177193594 /nfs/dbraw/zinc/19/35/94/177193594.db2.gz HTRMQEIMRIBWMJ-DTWKUNHWSA-N 0 3 221.329 2.293 20 30 BEEDHN C[C@H]1CC[C@H](CNCc2cccc(C#N)c2)O1 ZINC000128295453 177202907 /nfs/dbraw/zinc/20/29/07/177202907.db2.gz KUKRXMCVAPOYKY-SMDDNHRTSA-N 0 3 230.311 2.215 20 30 BEEDHN C[C@H]1COCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000277443450 177296538 /nfs/dbraw/zinc/29/65/38/177296538.db2.gz LLMGHTXSRQCYPA-SWLSCSKDSA-N 0 3 247.313 2.192 20 30 BEEDHN C[C@H]1COCC[C@H]1NCc1ccccc1C#N ZINC000277690325 177297422 /nfs/dbraw/zinc/29/74/22/177297422.db2.gz HIIUQMXHBMUZLN-SMDDNHRTSA-N 0 3 230.311 2.073 20 30 BEEDHN COCCN(CC1(C#N)CC1)[C@H]1CCC[C@H]1C ZINC000487984323 225335674 /nfs/dbraw/zinc/33/56/74/225335674.db2.gz BAFFNQLQFVDNAC-OLZOCXBDSA-N 0 3 236.359 2.427 20 30 BEEDHN CN(C)CCSCc1cccc(F)c1C#N ZINC000488284799 225360487 /nfs/dbraw/zinc/36/04/87/225360487.db2.gz WNAWDXBJHDYKRJ-UHFFFAOYSA-N 0 3 238.331 2.492 20 30 BEEDHN CO[C@@H](CN(C)Cc1cccc(C#N)c1)C1CC1 ZINC000400168902 226333000 /nfs/dbraw/zinc/33/30/00/226333000.db2.gz KMOIOQQVLGYEIL-HNNXBMFYSA-N 0 3 244.338 2.415 20 30 BEEDHN CC[C@H](CN1CCC(C)(C#N)CC1)OC ZINC000396998322 262831135 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585111094 /nfs/dbraw/zinc/11/10/94/585111094.db2.gz AEJMJTCOWMUZIM-LBPRGKRZSA-N 0 3 209.333 2.289 20 30 BEEDHN Cc1ccc(N=NC2CCN(C)[C@H](C)C2)nc1 ZINC000741463583 585114272 /nfs/dbraw/zinc/11/42/72/585114272.db2.gz HBGSKAIMYXTEHI-LLVKDONJSA-N 0 3 232.331 2.272 20 30 BEEDHN C#CCN1CCC[C@@H]1c1ccc(O)cc1 ZINC000744200586 585146105 /nfs/dbraw/zinc/14/61/05/585146105.db2.gz LHLGYRRUKWKHAQ-CYBMUJFWSA-N 0 3 201.269 2.162 20 30 BEEDHN CN(C)c1cccc(CN2CCC(C#N)CC2)c1 ZINC000744394597 585149920 /nfs/dbraw/zinc/14/99/20/585149920.db2.gz KQTAKUSYUDWTEG-UHFFFAOYSA-N 0 3 243.354 2.488 20 30 BEEDHN Cc1ccc(N(CCC#N)C(=O)C(C)C#N)cc1 ZINC000746174421 585164516 /nfs/dbraw/zinc/16/45/16/585164516.db2.gz OVDMQHIEFAMRIY-GFCCVEGCSA-N 0 3 241.294 2.401 20 30 BEEDHN Cc1ccc(N(CCC#N)C(=O)C(C)C#N)cc1 ZINC000746174422 585164519 /nfs/dbraw/zinc/16/45/19/585164519.db2.gz OVDMQHIEFAMRIY-LBPRGKRZSA-N 0 3 241.294 2.401 20 30 BEEDHN C#CCN(CC)CCOc1ccc(OCC)cc1 ZINC000746457867 585168402 /nfs/dbraw/zinc/16/84/02/585168402.db2.gz SEZHBGBTRGFUMA-UHFFFAOYSA-N 0 3 247.338 2.419 20 30 BEEDHN CCN1CCC(=NOCc2cccnc2)[C@@H](C)C1 ZINC000746585344 585170254 /nfs/dbraw/zinc/17/02/54/585170254.db2.gz CSMGFUPJQIRWRU-LBPRGKRZSA-N 0 3 247.342 2.316 20 30 BEEDHN CC(C)N1CC(=NOCc2cccnc2)[C@@H](C)C1 ZINC000746585525 585170323 /nfs/dbraw/zinc/17/03/23/585170323.db2.gz GVRXPCKURXNKHK-LBPRGKRZSA-N 0 3 247.342 2.314 20 30 BEEDHN CN(C)c1ccc(C=NOC[C@H]2CCOC2)cc1 ZINC000747827869 585184651 /nfs/dbraw/zinc/18/46/51/585184651.db2.gz OKPGXLOJJTZTOV-ZDUSSCGKSA-N 0 3 248.326 2.140 20 30 BEEDHN C[C@H]1CCCN1CCNCc1cc(C#N)cs1 ZINC000748099157 585187031 /nfs/dbraw/zinc/18/70/31/585187031.db2.gz FZWHDSKDDPFQQH-NSHDSACASA-N 0 3 249.383 2.194 20 30 BEEDHN CON=C1CCCC[C@@H]1N1CCCCC1 ZINC000748780850 585195936 /nfs/dbraw/zinc/19/59/36/585195936.db2.gz PKBBJUHMXGMORE-LBPRGKRZSA-N 0 3 210.321 2.417 20 30 BEEDHN C#CCN(CC)CCOc1ccccc1OCC ZINC000749154602 585200026 /nfs/dbraw/zinc/20/00/26/585200026.db2.gz DPXILGNXAHTUDD-UHFFFAOYSA-N 0 3 247.338 2.419 20 30 BEEDHN C[C@@H]1CC(N=NC(=N)N)C[C@@H](c2ccccc2)C1 ZINC000749853062 585207460 /nfs/dbraw/zinc/20/74/60/585207460.db2.gz BOTYBINNBFBHNG-JQWIXIFHSA-N 0 3 244.342 2.429 20 30 BEEDHN C#CCN(CC#C)CCCCOc1ccccc1 ZINC000752074986 585241403 /nfs/dbraw/zinc/24/14/03/585241403.db2.gz HVEPKUBORZJVDC-UHFFFAOYSA-N 0 3 241.334 2.414 20 30 BEEDHN C#CCOCCN[C@@H](C)c1cc(C)ccc1OC ZINC000753769702 585268390 /nfs/dbraw/zinc/26/83/90/585268390.db2.gz PUEWBPLGPVYSAY-ZDUSSCGKSA-N 0 3 247.338 2.304 20 30 BEEDHN C(CCCCOc1ccccc1)=Nn1cnnc1 ZINC000753965683 585274023 /nfs/dbraw/zinc/27/40/23/585274023.db2.gz FPDQNSBHBBKWTQ-UHFFFAOYSA-N 0 3 244.298 2.361 20 30 BEEDHN CC(C)N1CC(N=Nc2ccccn2)[C@H](C)C1 ZINC000754253329 585281155 /nfs/dbraw/zinc/28/11/55/585281155.db2.gz CXFAUPRSXUGRGL-LLVKDONJSA-N 0 3 232.331 2.210 20 30 BEEDHN C[C@@H](C#N)CN(C[Si](C)(C)C)C1CC1 ZINC000754372696 585283659 /nfs/dbraw/zinc/28/36/59/585283659.db2.gz PXCKDYNVPJCYLJ-JTQLQIEISA-N 0 3 210.397 2.488 20 30 BEEDHN N#CCCN(CCN1CCCC1)Cc1ccco1 ZINC000755859980 585308748 /nfs/dbraw/zinc/30/87/48/585308748.db2.gz LMJKSFLCZUKYCF-UHFFFAOYSA-N 0 3 247.342 2.091 20 30 BEEDHN C[C@H](CCC#N)N[C@H](CCO)c1cccs1 ZINC000839552255 585329610 /nfs/dbraw/zinc/32/96/10/585329610.db2.gz QCFYPGCGVINCSR-GHMZBOCLSA-N 0 3 238.356 2.453 20 30 BEEDHN CCCCCCCNC1(C(=O)N(C)C)CC1 ZINC000839633157 585332999 /nfs/dbraw/zinc/33/29/99/585332999.db2.gz MHTCDGHVLILJDY-UHFFFAOYSA-N 0 3 226.364 2.167 20 30 BEEDHN C[C@H]1C[C@H]1C=Nn1cnnc1-c1ccccc1 ZINC000758374248 585355180 /nfs/dbraw/zinc/35/51/80/585355180.db2.gz PRTMONRNGHKGBH-JQWIXIFHSA-N 0 3 226.283 2.435 20 30 BEEDHN COCCCON=Cc1ccc(N(C)C)cc1 ZINC000758763452 585359748 /nfs/dbraw/zinc/35/97/48/585359748.db2.gz JCBYWKANZRPAFE-UHFFFAOYSA-N 0 3 236.315 2.140 20 30 BEEDHN C#CCCN1CCN(CCCC(C)C)CC1 ZINC000759398856 585372201 /nfs/dbraw/zinc/37/22/01/585372201.db2.gz JFGKPQXRMDIYHQ-UHFFFAOYSA-N 0 3 222.376 2.064 20 30 BEEDHN CC(C)(C)SCC(=O)C(C#N)c1ccncn1 ZINC000760338739 585390558 /nfs/dbraw/zinc/39/05/58/585390558.db2.gz GFBZFHRLRRLABH-SECBINFHSA-N 0 3 249.339 2.185 20 30 BEEDHN C#CCOCCN(C)Cc1cc(C)cc(C)c1 ZINC000761109014 585409787 /nfs/dbraw/zinc/40/97/87/585409787.db2.gz NCLREOQBECPHLY-UHFFFAOYSA-N 0 3 231.339 2.385 20 30 BEEDHN Cc1ccc(N=NC2C[C@H](C)N(C)C2)cc1 ZINC000761795363 585418681 /nfs/dbraw/zinc/41/86/81/585418681.db2.gz ZICJSHXNZALNBF-NSHDSACASA-N 0 3 217.316 2.487 20 30 BEEDHN COCC#CCN(CCc1ccccc1)C1CC1 ZINC000762918893 585439425 /nfs/dbraw/zinc/43/94/25/585439425.db2.gz QHVBUBUCVJZDAX-UHFFFAOYSA-N 0 3 243.350 2.343 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1ccc(CC)cc1 ZINC000763899057 585456431 /nfs/dbraw/zinc/45/64/31/585456431.db2.gz AGFIFMDLZNQIHO-UHFFFAOYSA-N 0 3 232.327 2.305 20 30 BEEDHN C#CCN(Cc1cccc(N(C)C)c1)C1CC1 ZINC000763949250 585457659 /nfs/dbraw/zinc/45/76/59/585457659.db2.gz IFKNYLFQHSWYJE-UHFFFAOYSA-N 0 3 228.339 2.350 20 30 BEEDHN C=C(CN(C)C)C(=O)N(C)c1ccc(C)cc1 ZINC000764473212 585466191 /nfs/dbraw/zinc/46/61/91/585466191.db2.gz QTONVTAWNUNNJE-UHFFFAOYSA-N 0 3 232.327 2.076 20 30 BEEDHN CC(C)N1CC(=NOCC(F)(F)F)[C@H](C)C1 ZINC000764846749 585475806 /nfs/dbraw/zinc/47/58/06/585475806.db2.gz OYYWILJFVHZFFN-MRVPVSSYSA-N 0 3 238.253 2.281 20 30 BEEDHN Cc1ccnc(N=NC2CCN3CCC[C@H]23)c1 ZINC000765581888 585490249 /nfs/dbraw/zinc/49/02/49/585490249.db2.gz UGJGOEOZDRCGJJ-GFCCVEGCSA-N 0 3 230.315 2.026 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1cc2c(cc1O)CCC2 ZINC000766665922 585504652 /nfs/dbraw/zinc/50/46/52/585504652.db2.gz ZSQSXOLKVFKGNF-LLVKDONJSA-N 0 3 229.323 2.334 20 30 BEEDHN C#CCCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000766907287 585509070 /nfs/dbraw/zinc/50/90/70/585509070.db2.gz YPVDFGXPMJPFAT-LLVKDONJSA-N 0 3 249.276 2.035 20 30 BEEDHN C#CCCCN1CCOC[C@@H]1CC(C)C ZINC000766906854 585511108 /nfs/dbraw/zinc/51/11/08/585511108.db2.gz WMQWAADFLQFBOA-ZDUSSCGKSA-N 0 3 209.333 2.147 20 30 BEEDHN CCOC(CN1CCC(CC#N)CC1)OCC ZINC000767823861 585526519 /nfs/dbraw/zinc/52/65/19/585526519.db2.gz NWFRGHORNBMWOH-UHFFFAOYSA-N 0 3 240.347 2.011 20 30 BEEDHN C#CCN(CC#CC)C[C@@H]1CC=CCC1 ZINC000769449107 585557233 /nfs/dbraw/zinc/55/72/33/585557233.db2.gz XYHHRYAIFHSKDB-CQSZACIVSA-N 0 3 201.313 2.301 20 30 BEEDHN C#CCCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000769897285 585566268 /nfs/dbraw/zinc/56/62/68/585566268.db2.gz IIXJSGDVGVEYNP-WDEREUQCSA-N 0 3 249.276 2.035 20 30 BEEDHN N#C[C@@H]1CC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000769945212 585566937 /nfs/dbraw/zinc/56/69/37/585566937.db2.gz RLIKTPYNNNOPEE-BXUZGUMPSA-N 0 3 242.322 2.403 20 30 BEEDHN C#C[C@H](C)N(C)Cc1ccc2c(c1)COC2 ZINC000769954109 585567185 /nfs/dbraw/zinc/56/71/85/585567185.db2.gz RGOQIFFEVBLILW-NSHDSACASA-N 0 3 215.296 2.170 20 30 BEEDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000770672568 585579340 /nfs/dbraw/zinc/57/93/40/585579340.db2.gz AIQQTIWULXCXSO-ZYHUDNBSSA-N 0 3 246.310 2.183 20 30 BEEDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000770672567 585579407 /nfs/dbraw/zinc/57/94/07/585579407.db2.gz AIQQTIWULXCXSO-PWSUYJOCSA-N 0 3 246.310 2.183 20 30 BEEDHN OC[C@@H](NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000771809553 585600845 /nfs/dbraw/zinc/60/08/45/585600845.db2.gz UIJTXIWHJMOCPS-CQSZACIVSA-N 0 3 249.741 2.052 20 30 BEEDHN C=C(C)C[C@@H](C)C(=O)OCCN(CC)CC ZINC000772363069 585613485 /nfs/dbraw/zinc/61/34/85/585613485.db2.gz KKIUPFLNNQJJAD-GFCCVEGCSA-N 0 3 227.348 2.474 20 30 BEEDHN CO[C@H](C)[C@@H](C)NCc1cc(C#N)ccc1F ZINC000773030907 585629659 /nfs/dbraw/zinc/62/96/59/585629659.db2.gz YIJIOQJJEANBHD-NXEZZACHSA-N 0 3 236.290 2.210 20 30 BEEDHN C#CCCCCC(=O)NCCN(C)CCCC ZINC000773375154 585635428 /nfs/dbraw/zinc/63/54/28/585635428.db2.gz KVYYYABZMXYCQP-UHFFFAOYSA-N 0 3 238.375 2.028 20 30 BEEDHN C=C(CC)CN(C)Cc1cccc(C(N)=O)c1 ZINC000773420521 585636443 /nfs/dbraw/zinc/63/64/43/585636443.db2.gz LQIRDJDUNZMVAR-UHFFFAOYSA-N 0 3 232.327 2.184 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1ccc(OC)cc1C ZINC000773909936 585646415 /nfs/dbraw/zinc/64/64/15/585646415.db2.gz WDXFOBQXPHVYAY-UHFFFAOYSA-N 0 3 248.326 2.060 20 30 BEEDHN CCc1cc(CN[C@H]2CCC[C@@H](C#N)C2)n[nH]1 ZINC000774188884 585653039 /nfs/dbraw/zinc/65/30/39/585653039.db2.gz KFMYQLPCDQRCEO-PWSUYJOCSA-N 0 3 232.331 2.144 20 30 BEEDHN CCc1cc(CN[C@H]2CCC[C@@H](C#N)C2)[nH]n1 ZINC000774188884 585653040 /nfs/dbraw/zinc/65/30/40/585653040.db2.gz KFMYQLPCDQRCEO-PWSUYJOCSA-N 0 3 232.331 2.144 20 30 BEEDHN COC[C@@H](C)NN=C1CCCNc2ccccc21 ZINC000774400507 585657531 /nfs/dbraw/zinc/65/75/31/585657531.db2.gz VRGDIOCAPHWQEZ-LLVKDONJSA-N 0 3 247.342 2.221 20 30 BEEDHN CN(C)c1ccc(C=NOC2CCOCC2)cc1 ZINC000774443225 585659333 /nfs/dbraw/zinc/65/93/33/585659333.db2.gz XRCVZMJJZFILRW-UHFFFAOYSA-N 0 3 248.326 2.282 20 30 BEEDHN C1CCC(ON=C2CCN3CCC[C@@H]23)C1 ZINC000774596340 585661582 /nfs/dbraw/zinc/66/15/82/585661582.db2.gz CTGUKXWWHVBKDD-LBPRGKRZSA-N 0 3 208.305 2.170 20 30 BEEDHN C#C[C@H](C)N(C)Cc1cc(C)ccc1O ZINC000775184068 585672766 /nfs/dbraw/zinc/67/27/66/585672766.db2.gz UTHAPGIOQVPYMB-NSHDSACASA-N 0 3 203.285 2.154 20 30 BEEDHN C#C[C@H](C)[N@@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000775185189 585672775 /nfs/dbraw/zinc/67/27/75/585672775.db2.gz YUQHOKFYOTUTRY-NSHDSACASA-N 0 3 233.311 2.244 20 30 BEEDHN C#C[C@H](C)[N@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000775185189 585672776 /nfs/dbraw/zinc/67/27/76/585672776.db2.gz YUQHOKFYOTUTRY-NSHDSACASA-N 0 3 233.311 2.244 20 30 BEEDHN C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000775185122 585673056 /nfs/dbraw/zinc/67/30/56/585673056.db2.gz YUQHOKFYOTUTRY-LLVKDONJSA-N 0 3 233.311 2.244 20 30 BEEDHN C#C[C@@H](C)[N@H+](C)Cc1ccc(OCC)cc1[O-] ZINC000775185122 585673057 /nfs/dbraw/zinc/67/30/57/585673057.db2.gz YUQHOKFYOTUTRY-LLVKDONJSA-N 0 3 233.311 2.244 20 30 BEEDHN C#C[C@H](C)N(C)Cc1cccc(OCC)c1O ZINC000775182026 585673070 /nfs/dbraw/zinc/67/30/70/585673070.db2.gz AKKXCDCKVRQBDG-NSHDSACASA-N 0 3 233.311 2.244 20 30 BEEDHN C#CC[C@H](NCCN1CCCC1)c1ccccc1 ZINC000775398743 585677520 /nfs/dbraw/zinc/67/75/20/585677520.db2.gz ATUUSFYTCGIBNS-INIZCTEOSA-N 0 3 242.366 2.436 20 30 BEEDHN C#CCCNC1(c2ccc3c(c2)OCO3)CC1 ZINC000775552271 585679418 /nfs/dbraw/zinc/67/94/18/585679418.db2.gz HKDDPPRFQVTMDD-UHFFFAOYSA-N 0 3 229.279 2.017 20 30 BEEDHN C#C[C@H](N[C@H](C)Cc1cccs1)[C@@H]1CCCO1 ZINC000775571288 585680209 /nfs/dbraw/zinc/68/02/09/585680209.db2.gz DSVDOZOEMLYNBH-XBFCOCLRSA-N 0 3 249.379 2.450 20 30 BEEDHN C=C(C)CCN1CCCC[C@H]1C1OCCO1 ZINC000775590588 585681179 /nfs/dbraw/zinc/68/11/79/585681179.db2.gz BXIHDOSOMNBENU-LBPRGKRZSA-N 0 3 225.332 2.180 20 30 BEEDHN C#C[C@@H](NCCc1ccc(C)cc1)[C@H]1CCCO1 ZINC000775800471 585685601 /nfs/dbraw/zinc/68/56/01/585685601.db2.gz SGIGFYZDIMQVJI-HZPDHXFCSA-N 0 3 243.350 2.308 20 30 BEEDHN CN(C)c1ccncc1C=NO[C@H]1CCCCO1 ZINC000776188320 585692497 /nfs/dbraw/zinc/69/24/97/585692497.db2.gz ZJVJBZKVJWQWGZ-ZDUSSCGKSA-N 0 3 249.314 2.025 20 30 BEEDHN C[C@H]1CCOCCN1CCC(C)(C)C#N ZINC000776604665 585702509 /nfs/dbraw/zinc/70/25/09/585702509.db2.gz DLMKDHWQWUFTAO-NSHDSACASA-N 0 3 210.321 2.037 20 30 BEEDHN COC[C@H](C)NN=C(C)c1ccc(N(C)C)cc1 ZINC000777893679 585722514 /nfs/dbraw/zinc/72/25/14/585722514.db2.gz AWGNCTUHSFADFR-NSHDSACASA-N 0 3 249.358 2.101 20 30 BEEDHN CCCCCCCN[C@H](CO)c1cnn(C)c1 ZINC000778138025 585726150 /nfs/dbraw/zinc/72/61/50/585726150.db2.gz NXNSFYGNSZKXLJ-CYBMUJFWSA-N 0 3 239.363 2.014 20 30 BEEDHN CC(C)OCCNN=Cc1ccc(N(C)C)cc1 ZINC000778553284 585737206 /nfs/dbraw/zinc/73/72/06/585737206.db2.gz ASEVMIIYFGRIBA-UHFFFAOYSA-N 0 3 249.358 2.101 20 30 BEEDHN CC(=NNCCOC(C)C)c1ccc(N)cc1 ZINC000778550347 585737227 /nfs/dbraw/zinc/73/72/27/585737227.db2.gz BASFUYLSNBNMAI-UHFFFAOYSA-N 0 3 235.331 2.007 20 30 BEEDHN CCCC[C@H]1CCCC1=NNC1=N[C@@H](C)CN1 ZINC000779792487 585764087 /nfs/dbraw/zinc/76/40/87/585764087.db2.gz SFJOKALVGOYQFL-QWRGUYRKSA-N 0 3 236.363 2.270 20 30 BEEDHN CCC(N=Nc1ccncc1)c1ccc(O)cc1 ZINC000779812199 585766449 /nfs/dbraw/zinc/76/64/49/585766449.db2.gz OKISFHQOPPNGGJ-UHFFFAOYSA-N 0 3 241.294 2.435 20 30 BEEDHN Cc1nc2c(s1)[C@H](NC(=O)C(C)C#N)CCC2 ZINC000780790584 585784984 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/nfs/dbraw/zinc/86/12/61/585861261.db2.gz SCSLDEGMGMCZMN-MWLCHTKSSA-N 0 3 220.247 2.252 20 30 BEEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1ccccn1 ZINC000784491319 585861377 /nfs/dbraw/zinc/86/13/77/585861377.db2.gz SCSLDEGMGMCZMN-GXSJLCMTSA-N 0 3 220.247 2.252 20 30 BEEDHN C=C[C@H]1CCCCN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000785998635 585884822 /nfs/dbraw/zinc/88/48/22/585884822.db2.gz JKOLYXSLVZMWAE-RYUDHWBXSA-N 0 3 235.327 2.123 20 30 BEEDHN C[C@H]1CC(=NNC2CCCCC2)CCN1C ZINC000786041886 585886088 /nfs/dbraw/zinc/88/60/88/585886088.db2.gz DTTQZSOIWOYWHZ-NSHDSACASA-N 0 3 223.364 2.379 20 30 BEEDHN CC#CCCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000786878176 585898371 /nfs/dbraw/zinc/89/83/71/585898371.db2.gz DCLJQTAGXRVCKY-CQSZACIVSA-N 0 3 249.354 2.350 20 30 BEEDHN CC1=C[C@H](C)C[C@H](C=Nn2cnnc2)C1 ZINC000789639144 585947609 /nfs/dbraw/zinc/94/76/09/585947609.db2.gz IEAYOSGRDUSFHD-ONGXEEELSA-N 0 3 204.277 2.104 20 30 BEEDHN Cc1cccnc1N=NC1CN(C2CC2)C[C@@H]1C ZINC000790184782 585960122 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LYOMUHDLUIXFJL-UHFFFAOYSA-N 0 3 234.315 2.364 20 30 BEEDHN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)c1ccccn1 ZINC000796631446 586109090 /nfs/dbraw/zinc/10/90/90/586109090.db2.gz JTKXVQMPTNWKOP-MISXGVKJSA-N 0 3 246.310 2.319 20 30 BEEDHN Cc1cccc(C[NH2+]CC2(CC#N)CC2)c1[O-] ZINC000797604122 586129320 /nfs/dbraw/zinc/12/93/20/586129320.db2.gz KQODPRLNLUYJRC-UHFFFAOYSA-N 0 3 230.311 2.484 20 30 BEEDHN COc1ccc([O-])c(C[NH2+]CC2(CC#N)CC2)c1 ZINC000797604609 586129530 /nfs/dbraw/zinc/12/95/30/586129530.db2.gz ZDAJIQPHRYBYAD-UHFFFAOYSA-N 0 3 246.310 2.184 20 30 BEEDHN Cc1ccccc1[C@H](O)CN[C@@H]1CC[C@H](C#N)C1 ZINC000799717875 586194003 /nfs/dbraw/zinc/19/40/03/586194003.db2.gz VSSCWGQHPJXTAH-GZBFAFLISA-N 0 3 244.338 2.310 20 30 BEEDHN C[C@@H]1C[C@H](C)[C@H](C(=O)C(C#N)c2ccccn2)O1 ZINC000800384667 586214362 /nfs/dbraw/zinc/21/43/62/586214362.db2.gz HWMAQZVZZRQYSI-ICUOPCATSA-N 0 3 244.294 2.071 20 30 BEEDHN C#CCCN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000859413356 589035598 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/nfs/dbraw/zinc/27/95/85/586279585.db2.gz LMJABBFQANPEHS-ZFWWWQNUSA-N 0 3 242.322 2.269 20 30 BEEDHN C#CC[C@H](NCCO[C@H](C)C#N)c1ccccc1 ZINC000801937382 586279639 /nfs/dbraw/zinc/27/96/39/586279639.db2.gz LMJABBFQANPEHS-HIFRSBDPSA-N 0 3 242.322 2.269 20 30 BEEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]2C2CC2)nc1 ZINC000806161844 586406506 /nfs/dbraw/zinc/40/65/06/586406506.db2.gz UWRBOJQJOHFWRV-UONOGXRCSA-N 0 3 227.311 2.231 20 30 BEEDHN N#CC[C@@H](O)CN1CCC[C@@H]1c1ccccc1 ZINC000809570802 586507087 /nfs/dbraw/zinc/50/70/87/586507087.db2.gz URCIGSQGGXIBGM-ZIAGYGMSSA-N 0 3 230.311 2.098 20 30 BEEDHN Cc1cccc([C@H](C)NC[C@H](O)CC#N)c1C ZINC000809578019 586507739 /nfs/dbraw/zinc/50/77/39/586507739.db2.gz GZWMNOKSAAZCAT-QWHCGFSZSA-N 0 3 232.327 2.229 20 30 BEEDHN C#Cc1ccc(CNC[C@@H]2CCC=CO2)cc1 ZINC000809648974 586510531 /nfs/dbraw/zinc/51/05/31/586510531.db2.gz OQYNTUMIRKRBPN-HNNXBMFYSA-N 0 3 227.307 2.450 20 30 BEEDHN C#C[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000809684044 586512235 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/nfs/dbraw/zinc/66/51/18/586665118.db2.gz JGIMTQFNAVVUFI-UHFFFAOYSA-N 0 3 221.300 2.027 20 30 BEEDHN N#CCCOCCNC1(c2ccccc2)CC1 ZINC000815083026 586666079 /nfs/dbraw/zinc/66/60/79/586666079.db2.gz LQXSEUJTRIFWKP-UHFFFAOYSA-N 0 3 230.311 2.196 20 30 BEEDHN C[C@H](NCc1ccc(C#N)cn1)[C@]1(C)CCCO1 ZINC000815618831 586689094 /nfs/dbraw/zinc/68/90/94/586689094.db2.gz VQYTYZSRKHPXHU-FZMZJTMJSA-N 0 3 245.326 2.000 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000818224980 586880703 /nfs/dbraw/zinc/88/07/03/586880703.db2.gz VAOVSYPHMURTSU-JSGCOSHPSA-N 0 3 233.311 2.073 20 30 BEEDHN C=CC[C@H](NC[C@H](O)C1CC1)c1ccncc1 ZINC000819074577 586928765 /nfs/dbraw/zinc/92/87/65/586928765.db2.gz RLQPJFPIVPULAT-KBPBESRZSA-N 0 3 232.327 2.059 20 30 BEEDHN C[C@@]1(CCNCCC#N)CC1(Cl)Cl ZINC000819347510 586955276 /nfs/dbraw/zinc/95/52/76/586955276.db2.gz COLLIQIPJZCWBB-MRVPVSSYSA-N 0 3 221.131 2.464 20 30 BEEDHN N#C[C@H]1CC[C@@H](NC[C@H](O)c2ccccc2F)C1 ZINC000819383766 586959530 /nfs/dbraw/zinc/95/95/30/586959530.db2.gz OBBGPAYXDWCHMA-WDMOLILDSA-N 0 3 248.301 2.141 20 30 BEEDHN Cc1cc(NCCC#N)ccc1OCCN(C)C ZINC000819491406 586969930 /nfs/dbraw/zinc/96/99/30/586969930.db2.gz GGQMIVKOPBSLOJ-UHFFFAOYSA-N 0 3 247.342 2.261 20 30 BEEDHN C#CCCCOC(=O)c1cccc(CN(C)C)c1 ZINC000821621589 587132813 /nfs/dbraw/zinc/13/28/13/587132813.db2.gz YLPKKRPYMUZBHA-UHFFFAOYSA-N 0 3 245.322 2.318 20 30 BEEDHN C=C[C@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000821628103 587133628 /nfs/dbraw/zinc/13/36/28/587133628.db2.gz ZTUUOARYCSEGQW-NSHDSACASA-N 0 3 233.311 2.480 20 30 BEEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000822663806 587179756 /nfs/dbraw/zinc/17/97/56/587179756.db2.gz STZBUDNONVIMCE-GFCCVEGCSA-N 0 3 238.375 2.189 20 30 BEEDHN C#CCCN[C@@H](c1ccc(OC)nc1)C1CC1 ZINC000860208445 589089848 /nfs/dbraw/zinc/08/98/48/589089848.db2.gz XFKGEWCIAHZFSL-CQSZACIVSA-N 0 3 230.311 2.154 20 30 BEEDHN CCn1nc(C)c(CNCC(C)(C)CCC#N)n1 ZINC000824395129 587269029 /nfs/dbraw/zinc/26/90/29/587269029.db2.gz APGUFHDMYJMCOC-UHFFFAOYSA-N 0 3 249.362 2.026 20 30 BEEDHN C=CCC[C@@H](C)N[C@H]1CCn2ccnc21 ZINC000824525742 587273110 /nfs/dbraw/zinc/27/31/10/587273110.db2.gz DANPZGZLAVWZJQ-MNOVXSKESA-N 0 3 205.305 2.272 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)nc1 ZINC000824862434 587291006 /nfs/dbraw/zinc/29/10/06/587291006.db2.gz ZWEUOZMARCEOSI-MNOVXSKESA-N 0 3 238.718 2.168 20 30 BEEDHN C=CCC[C@@H](CO)NCc1cc(C)oc1C ZINC000825168425 587307289 /nfs/dbraw/zinc/30/72/89/587307289.db2.gz JPFQCLXPFWGCFQ-ZDUSSCGKSA-N 0 3 223.316 2.313 20 30 BEEDHN C=CCC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000825168585 587307422 /nfs/dbraw/zinc/30/74/22/587307422.db2.gz KCPGEVDDOXCDGJ-AWEZNQCLSA-N 0 3 249.354 2.426 20 30 BEEDHN C=C[C@H](CC)CC(=O)N1CCN[C@H](C(C)C)C1 ZINC000826765011 587361533 /nfs/dbraw/zinc/36/15/33/587361533.db2.gz YFMUOCXNSYJLHT-OLZOCXBDSA-N 0 3 238.375 2.045 20 30 BEEDHN C#C[C@H](NCc1ccccc1)C1CCOCC1 ZINC000827571288 587389392 /nfs/dbraw/zinc/38/93/92/587389392.db2.gz YLGGGLSXZCVFNM-HNNXBMFYSA-N 0 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C=C(Cl)C[C@@H](N)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000876545119 590213025 /nfs/dbraw/zinc/21/30/25/590213025.db2.gz ALFDDVVXWGMEQV-OUAUKWLOSA-N 0 3 244.766 2.246 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C)c1 ZINC000876545633 590213474 /nfs/dbraw/zinc/21/34/74/590213474.db2.gz RAKSOIKETISYPN-LLVKDONJSA-N 0 3 238.718 2.403 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CCCCC1 ZINC000876546809 590213999 /nfs/dbraw/zinc/21/39/99/590213999.db2.gz WWQIYLVDQMGAPW-NSHDSACASA-N 0 3 244.766 2.153 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000876549793 590214373 /nfs/dbraw/zinc/21/43/73/590214373.db2.gz JCLMJVJOCVZPGC-INTQDDNPSA-N 0 3 244.766 2.151 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCCCC1 ZINC000876549500 590214691 /nfs/dbraw/zinc/21/46/91/590214691.db2.gz FEKVLKJNPDIGQB-NSHDSACASA-N 0 3 244.766 2.249 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000876599512 590220417 /nfs/dbraw/zinc/22/04/17/590220417.db2.gz DAUGNKVTFHVLQJ-VHSXEESVSA-N 0 3 246.782 2.349 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NC1(C)CCCCC1 ZINC000876605690 590221486 /nfs/dbraw/zinc/22/14/86/590221486.db2.gz WOIOEXDECLDQTK-JTQLQIEISA-N 0 3 244.766 2.295 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)C(C)C ZINC000876623126 590222924 /nfs/dbraw/zinc/22/29/24/590222924.db2.gz VNIAZKMAXRYICG-VIFPVBQESA-N 0 3 232.755 2.007 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000876652054 590225970 /nfs/dbraw/zinc/22/59/70/590225970.db2.gz KLVVZYDZVVNRKO-LSJOCFKGSA-N 0 3 244.766 2.151 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(C)CCCC1 ZINC000876653550 590226272 /nfs/dbraw/zinc/22/62/72/590226272.db2.gz OBVGFCZUBZVSKB-SNVBAGLBSA-N 0 3 244.766 2.153 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000876652053 590226361 /nfs/dbraw/zinc/22/63/61/590226361.db2.gz KLVVZYDZVVNRKO-FBIMIBRVSA-N 0 3 244.766 2.151 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@H](C)CC1(C)C ZINC000876669438 590228593 /nfs/dbraw/zinc/22/85/93/590228593.db2.gz MJXCBKSZXFJECR-PSASIEDQSA-N 0 3 244.766 2.103 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000876701406 590231577 /nfs/dbraw/zinc/23/15/77/590231577.db2.gz AZOHWRATCJTXSH-VHSXEESVSA-N 0 3 244.766 2.103 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)C[C@H](C)CC ZINC000876698151 590231673 /nfs/dbraw/zinc/23/16/73/590231673.db2.gz MPEWIPCGRKORRX-MWLCHTKSSA-N 0 3 246.782 2.351 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CC(C)C ZINC000876882691 590253002 /nfs/dbraw/zinc/25/30/02/590253002.db2.gz OFQRMDREPYIDIW-ZJUUUORDSA-N 0 3 232.755 2.007 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H](C)C1 ZINC000876901877 590255431 /nfs/dbraw/zinc/25/54/31/590255431.db2.gz JNYDFQFDTAXOFC-GXSJLCMTSA-N 0 3 244.766 2.105 20 30 BEEDHN N#CCCCCNCc1cc(C#N)cnc1Cl ZINC000877019208 590269222 /nfs/dbraw/zinc/26/92/22/590269222.db2.gz WHTURLKTHWFDHJ-UHFFFAOYSA-N 0 3 248.717 2.390 20 30 BEEDHN C=C(Br)CNC[C@@H](C)CCC#N ZINC000877019603 590269800 /nfs/dbraw/zinc/26/98/00/590269800.db2.gz AQIYVAYNVAEQGN-QMMMGPOBSA-N 0 3 231.137 2.424 20 30 BEEDHN CSC(C)(C)CNCc1cccc(C#N)n1 ZINC000877065157 590276928 /nfs/dbraw/zinc/27/69/28/590276928.db2.gz HIPJXUYTBICEDW-UHFFFAOYSA-N 0 3 235.356 2.184 20 30 BEEDHN CC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877145381 590292011 /nfs/dbraw/zinc/29/20/11/590292011.db2.gz HKOIWJHINWBUID-UHFFFAOYSA-N 0 3 223.707 2.495 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NCCC(C)(C)CC ZINC000877148129 590292043 /nfs/dbraw/zinc/29/20/43/590292043.db2.gz TXZQLWIPBFRJPP-JTQLQIEISA-N 0 3 246.782 2.399 20 30 BEEDHN C=C(Cl)CNC[C@@H](CC(C)C)OC ZINC000877149304 590292488 /nfs/dbraw/zinc/29/24/88/590292488.db2.gz LAELPOBTXGXQSV-SNVBAGLBSA-N 0 3 205.729 2.390 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCCC1CC1 ZINC000877241976 590302382 /nfs/dbraw/zinc/30/23/82/590302382.db2.gz YTDOMTGEYQPKCS-NSHDSACASA-N 0 3 244.766 2.153 20 30 BEEDHN N#CCCCNCc1cccc(Cl)c1N ZINC000877303830 590310423 /nfs/dbraw/zinc/31/04/23/590310423.db2.gz NTTQOHFTEJDYTK-UHFFFAOYSA-N 0 3 223.707 2.316 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)[C@H](C)CC ZINC000877303368 590310475 /nfs/dbraw/zinc/31/04/75/590310475.db2.gz DRNZMMFIXOXSCU-NEPJUHHUSA-N 0 3 240.391 2.468 20 30 BEEDHN CC[C@H](C)[C@@H](CNCc1ccc(C#N)cn1)OC ZINC000877459853 590331677 /nfs/dbraw/zinc/33/16/77/590331677.db2.gz NOYGWISONSLWKD-SMDDNHRTSA-N 0 3 247.342 2.104 20 30 BEEDHN N#Cc1ccc(CNC[C@@H]2CC[C@H]3C[C@H]3C2)nc1 ZINC000877460983 590331824 /nfs/dbraw/zinc/33/18/24/590331824.db2.gz ZOCPLLGUVXJPBP-KWCYVHTRSA-N 0 3 241.338 2.479 20 30 BEEDHN Cc1cccc([O-])c1C[NH2+]CC1(CC#N)CC1 ZINC000877493432 590340708 /nfs/dbraw/zinc/34/07/08/590340708.db2.gz BFSUGMDXDCWANC-UHFFFAOYSA-N 0 3 230.311 2.484 20 30 BEEDHN N#CC1(CN[C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000877493858 590340890 /nfs/dbraw/zinc/34/08/90/590340890.db2.gz IUIDTGQAWBUEHH-GFCCVEGCSA-N 0 3 234.343 2.372 20 30 BEEDHN C#C[C@@H](CC)N[C@@H](C)CC1(C#N)CCOCC1 ZINC000877512801 590341251 /nfs/dbraw/zinc/34/12/51/590341251.db2.gz BWIXQAAQGHXSRK-STQMWFEESA-N 0 3 234.343 2.087 20 30 BEEDHN C#C[C@H](N[C@@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000877513404 590343429 /nfs/dbraw/zinc/34/34/29/590343429.db2.gz VAYLHNTWLCDMLJ-KBPBESRZSA-N 0 3 248.370 2.333 20 30 BEEDHN C#C[C@H](C)NCc1cc2ccccc2n1C ZINC000877514671 590346233 /nfs/dbraw/zinc/34/62/33/590346233.db2.gz SONJDHCCKDPHPV-NSHDSACASA-N 0 3 212.296 2.290 20 30 BEEDHN C#CCCN(CCOC)C[C@@H](OC)[C@H](C)CC ZINC000877641107 590382188 /nfs/dbraw/zinc/38/21/88/590382188.db2.gz LZXWLYOJDNITCO-ZIAGYGMSSA-N 0 3 241.375 2.019 20 30 BEEDHN CC1(C)C[C@H](O)CN(Cc2ccc(C#N)cc2)C1 ZINC000877752658 590415497 /nfs/dbraw/zinc/41/54/97/590415497.db2.gz HAIIRBRYPBYCFY-AWEZNQCLSA-N 0 3 244.338 2.151 20 30 BEEDHN C#C[C@H]1CC[C@H](NCc2snnc2C)CC1 ZINC000877834538 590430434 /nfs/dbraw/zinc/43/04/34/590430434.db2.gz UPVJJUAAFWHEBF-XYPYZODXSA-N 0 3 235.356 2.128 20 30 BEEDHN C=CC[C@H](C(=O)OC)N(CC)CC(C)C ZINC000877959220 590446688 /nfs/dbraw/zinc/44/66/88/590446688.db2.gz SMNBDLYWVBBSGI-LLVKDONJSA-N 0 3 213.321 2.082 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N1CCC[C@@H](CC)C1 ZINC000877927779 590449057 /nfs/dbraw/zinc/44/90/57/590449057.db2.gz DWARZSSVVQJAEM-NEPJUHHUSA-N 0 3 225.332 2.226 20 30 BEEDHN C=CC[C@H](C)N1CCN(Cc2ccccn2)CC1 ZINC000877925656 590449125 /nfs/dbraw/zinc/44/91/25/590449125.db2.gz CWFINIDXDSTNNP-AWEZNQCLSA-N 0 3 245.370 2.164 20 30 BEEDHN C=CC[C@H](C(=O)OC)N1CCC[C@H](CC)C1 ZINC000877927780 590449390 /nfs/dbraw/zinc/44/93/90/590449390.db2.gz DWARZSSVVQJAEM-NWDGAFQWSA-N 0 3 225.332 2.226 20 30 BEEDHN C=CC[C@H](C(=O)OC)N1CCC[C@@H](C)CC1 ZINC000878001987 590469955 /nfs/dbraw/zinc/46/99/55/590469955.db2.gz JUYNXQGMBMGVHA-VXGBXAGGSA-N 0 3 225.332 2.226 20 30 BEEDHN C=CC(C)(C)CC(=O)NC1CCN(CC)CC1 ZINC000878045789 590479793 /nfs/dbraw/zinc/47/97/93/590479793.db2.gz ZCXSIEVRQOQGQX-UHFFFAOYSA-N 0 3 238.375 2.189 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N1CC[C@@](C)(CC)C1 ZINC000878187565 590519346 /nfs/dbraw/zinc/51/93/46/590519346.db2.gz CPGATMZBIAXNOQ-WCQYABFASA-N 0 3 225.332 2.226 20 30 BEEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N1CCCC1 ZINC000878203454 590523830 /nfs/dbraw/zinc/52/38/30/590523830.db2.gz PXMOYYGACYXQLO-LBPRGKRZSA-N 0 3 238.375 2.189 20 30 BEEDHN C#CCCCCCN(C)Cc1cn[nH]c1 ZINC000878263356 590530436 /nfs/dbraw/zinc/53/04/36/590530436.db2.gz HUNQOFDYVXWBIO-UHFFFAOYSA-N 0 3 205.305 2.035 20 30 BEEDHN C=CC[C@@H](C)N1CCN(Cc2cccnc2)CC1 ZINC000878309488 590539331 /nfs/dbraw/zinc/53/93/31/590539331.db2.gz DQEOPXHSSGGGQW-CQSZACIVSA-N 0 3 245.370 2.164 20 30 BEEDHN C=CC[C@@H](C)N1CCN(Cc2ccncc2)CC1 ZINC000878309382 590539914 /nfs/dbraw/zinc/53/99/14/590539914.db2.gz MIVZOZXTPHEOAQ-CQSZACIVSA-N 0 3 245.370 2.164 20 30 BEEDHN C=CC[C@H](C(=O)OC)N1CC[C@H](C)[C@@H](C)C1 ZINC000878329288 590546674 /nfs/dbraw/zinc/54/66/74/590546674.db2.gz WUUKOFWTXLELSP-SDDRHHMPSA-N 0 3 225.332 2.082 20 30 BEEDHN C=CC[C@H](C(=O)OC)N1CC[C@@H](C)[C@H](C)C1 ZINC000878329285 590547254 /nfs/dbraw/zinc/54/72/54/590547254.db2.gz WUUKOFWTXLELSP-IJLUTSLNSA-N 0 3 225.332 2.082 20 30 BEEDHN C=CC[C@H](C)N[C@@H](CO)c1ccsc1 ZINC000878442296 590563391 /nfs/dbraw/zinc/56/33/91/590563391.db2.gz MARWESUUVGFWDB-ONGXEEELSA-N 0 3 211.330 2.336 20 30 BEEDHN C#CCN(C[C@@H]1CCCC(C)(C)O1)C1CC1 ZINC000878434018 590566978 /nfs/dbraw/zinc/56/69/78/590566978.db2.gz GGGFDYAUPUULRL-ZDUSSCGKSA-N 0 3 221.344 2.432 20 30 BEEDHN C=CCN(C)Cc1ccc(C)c(C(=O)OC)c1 ZINC000878462330 590571765 /nfs/dbraw/zinc/57/17/65/590571765.db2.gz UHIFRJUAPHMBRK-UHFFFAOYSA-N 0 3 233.311 2.399 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N(CC)CC1CCC1 ZINC000878542623 590589080 /nfs/dbraw/zinc/58/90/80/590589080.db2.gz OSMKXZYEZNUXQN-LBPRGKRZSA-N 0 3 225.332 2.226 20 30 BEEDHN C#CCCCCCN(C(C)C)C1COC1 ZINC000878657776 590600724 /nfs/dbraw/zinc/60/07/24/590600724.db2.gz JGDGEXOHJNGYSO-UHFFFAOYSA-N 0 3 209.333 2.289 20 30 BEEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)C1CCC1 ZINC000127306390 590617294 /nfs/dbraw/zinc/61/72/94/590617294.db2.gz JZVGALBTWCEEMU-CQSZACIVSA-N 0 3 230.311 2.076 20 30 BEEDHN C#CCCCCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878771850 590620627 /nfs/dbraw/zinc/62/06/27/590620627.db2.gz XMQOKYLTPQIOCD-GASCZTMLSA-N 0 3 247.386 2.098 20 30 BEEDHN CCCCCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878773905 590621214 /nfs/dbraw/zinc/62/12/14/590621214.db2.gz LNIBINOMKULMDF-KBPBESRZSA-N 0 3 237.391 2.485 20 30 BEEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCN(C)C1 ZINC000878780357 590621246 /nfs/dbraw/zinc/62/12/46/590621246.db2.gz SHOWCIJSJBYPLR-GFCCVEGCSA-N 0 3 238.375 2.047 20 30 BEEDHN C=CC(C)(C)CC(=O)NCCN(C)CCCC ZINC000878822758 590627922 /nfs/dbraw/zinc/62/79/22/590627922.db2.gz DCZZHLJRVLYDSN-UHFFFAOYSA-N 0 3 240.391 2.437 20 30 BEEDHN CC(C)[C@@H](O)CCN1CCC[C@@H](CC#N)C1 ZINC000878886229 590640356 /nfs/dbraw/zinc/64/03/56/590640356.db2.gz DBHURJYKGCJKSW-STQMWFEESA-N 0 3 224.348 2.019 20 30 BEEDHN C#CCN(CC/C=C\C=C)C1CSC1 ZINC000878909182 590645828 /nfs/dbraw/zinc/64/58/28/590645828.db2.gz NCYMKCDPFDDAJB-WAYWQWQTSA-N 0 3 207.342 2.169 20 30 BEEDHN C=CC[C@H](C)N1CCO[C@H](CCF)C1 ZINC000879054710 590689070 /nfs/dbraw/zinc/68/90/70/590689070.db2.gz TVLQXRNXQPQTEN-WDEREUQCSA-N 0 3 201.285 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C=CCC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648615 590841367 /nfs/dbraw/zinc/84/13/67/590841367.db2.gz WIJGAUPCLRKABM-NEPJUHHUSA-N 0 3 235.327 2.370 20 30 BEEDHN C=CC[C@@H](C)N1CCN(C)c2ncccc2C1 ZINC000879783437 590868324 /nfs/dbraw/zinc/86/83/24/590868324.db2.gz QJRONJWPQZZGMO-GFCCVEGCSA-N 0 3 231.343 2.298 20 30 BEEDHN C=CCCN1CCO[C@H](C(F)(F)F)CC1 ZINC000880047485 590915511 /nfs/dbraw/zinc/91/55/11/590915511.db2.gz SBKURPPEBRSHID-VIFPVBQESA-N 0 3 223.238 2.216 20 30 BEEDHN CC#CCCN1CCN(c2ccncc2)[C@H](C)C1 ZINC000880260073 590980051 /nfs/dbraw/zinc/98/00/51/590980051.db2.gz NBCCEVCXDMNXQS-CQSZACIVSA-N 0 3 243.354 2.006 20 30 BEEDHN COc1cc(C#N)ccc1CN1CC[C@H](CF)C1 ZINC000880298517 590992318 /nfs/dbraw/zinc/99/23/18/590992318.db2.gz CRDKJGPDXAAXHR-GFCCVEGCSA-N 0 3 248.301 2.358 20 30 BEEDHN C=CCCN1CCc2cc(C(=O)OC)ccc2C1 ZINC000880350183 591008971 /nfs/dbraw/zinc/00/89/71/591008971.db2.gz PLRAYDHXOXXBFD-UHFFFAOYSA-N 0 3 245.322 2.407 20 30 BEEDHN C#CCOCCN1CCc2ccsc2[C@@H]1C 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Cc1cccc(C#N)c1O[C@H]1CCCN(C)C1 ZINC001229180265 1167447994 /nfs/dbraw/zinc/44/79/94/1167447994.db2.gz UKQGTWNBLVVAGN-ZDUSSCGKSA-N 0 3 230.311 2.340 20 30 BEEDHN CCCCCCCN1CCCC[C@H]1C(N)=O ZINC000157330070 1167646841 /nfs/dbraw/zinc/64/68/41/1167646841.db2.gz JKWZMIKMZRJCDA-LBPRGKRZSA-N 0 3 226.364 2.297 20 30 BEEDHN C=CCN(C)Cc1ccc2ncoc2c1 ZINC001232942793 978353761 /nfs/dbraw/zinc/35/37/61/978353761.db2.gz KJIMXEIZLVTOSK-UHFFFAOYSA-N 0 3 202.257 2.446 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC)CCC ZINC001341397238 979373166 /nfs/dbraw/zinc/37/31/66/979373166.db2.gz CPIPNJRWOHZWIX-VXGBXAGGSA-N 0 3 226.364 2.365 20 30 BEEDHN C=CCN(C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001485352797 1168241462 /nfs/dbraw/zinc/24/14/62/1168241462.db2.gz ZMCRZVZKSGWKCQ-JHJVBQTASA-N 0 3 238.375 2.045 20 30 BEEDHN C=CCN(C)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001485375555 1168242859 /nfs/dbraw/zinc/24/28/59/1168242859.db2.gz XNOYIVMBDGHXEA-CYBMUJFWSA-N 0 3 246.354 2.231 20 30 BEEDHN Cc1cccnc1CNCC(C)(C)CC#N 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/nfs/dbraw/zinc/10/88/40/1169108840.db2.gz VDGJLEQAYFMLDS-CYBMUJFWSA-N 0 3 209.333 2.291 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(C)(C)CC1 ZINC001357242627 983680707 /nfs/dbraw/zinc/68/07/07/983680707.db2.gz KSAZISBJLQSHIQ-GFCCVEGCSA-N 0 3 238.375 2.319 20 30 BEEDHN C=CCN(CC)CCNC(=O)C(C)(C)C(=C)C ZINC001493001668 983703482 /nfs/dbraw/zinc/70/34/82/983703482.db2.gz OHSQQMNPVBMJKC-UHFFFAOYSA-N 0 3 238.375 2.213 20 30 BEEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(F)c2)C1 ZINC001254648203 1169237518 /nfs/dbraw/zinc/23/75/18/1169237518.db2.gz YRRDVZFOWBGUQA-MWLCHTKSSA-N 0 3 219.263 2.003 20 30 BEEDHN C[C@H](CCCC#N)NCc1cncc(Cl)n1 ZINC001172489231 974835019 /nfs/dbraw/zinc/83/50/19/974835019.db2.gz PHVKOIGMWSJJGN-SECBINFHSA-N 0 3 238.722 2.302 20 30 BEEDHN CCCNN=C1CCN(C)c2ccccc21 ZINC001327843097 972757367 /nfs/dbraw/zinc/75/73/67/972757367.db2.gz NMERXSWUNOEEQQ-UHFFFAOYSA-N 0 3 217.316 2.230 20 30 BEEDHN C#CCN(C)Cc1ccc([Si](C)(C)C)cc1 ZINC001141732534 1169392996 /nfs/dbraw/zinc/39/29/96/1169392996.db2.gz 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229.323 2.281 20 30 BEEDHN CN1CC=C(Nc2cc(F)c(F)cc2C#N)CC1 ZINC001208911116 957235595 /nfs/dbraw/zinc/23/55/95/957235595.db2.gz XUYIOWZJLYRSEH-UHFFFAOYSA-N 0 3 249.264 2.468 20 30 BEEDHN C=C(Cl)CN(CCO)C1CCCCC1 ZINC000049856371 957771253 /nfs/dbraw/zinc/77/12/53/957771253.db2.gz NSGXXQPPLBZVKG-UHFFFAOYSA-N 0 3 217.740 2.366 20 30 BEEDHN C#CCN(C)Cc1cn(C)c2ccccc12 ZINC000196483973 972348166 /nfs/dbraw/zinc/34/81/66/972348166.db2.gz AQQZTAFAEPFJKU-UHFFFAOYSA-N 0 3 212.296 2.243 20 30 BEEDHN C#C[C@@H]1CCCN(Cc2cccc(F)c2N)C1 ZINC000692345195 958617528 /nfs/dbraw/zinc/61/75/28/958617528.db2.gz UDTCMSCYYNPTKO-LLVKDONJSA-N 0 3 232.302 2.253 20 30 BEEDHN C[C@H](C#N)CN(C)C[Si](C)(C)c1ccccc1 ZINC001327013344 972365645 /nfs/dbraw/zinc/36/56/45/972365645.db2.gz QYUJBKHYYAPMOL-CYBMUJFWSA-N 0 3 246.430 2.233 20 30 BEEDHN N#Cc1cc(-c2ccc(C[NH3+])cc2)ccc1[O-] ZINC001242563201 1169757316 /nfs/dbraw/zinc/75/73/16/1169757316.db2.gz BEOUWEBPOMBHAA-UHFFFAOYSA-N 0 3 224.263 2.390 20 30 BEEDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(C#N)nc2)C1 ZINC001140545919 958846673 /nfs/dbraw/zinc/84/66/73/958846673.db2.gz PUARKJUSCNWYQN-TXEJJXNPSA-N 0 3 229.327 2.431 20 30 BEEDHN N#C[C@H]1CC=C(c2ccc(CN)nc2)CC1 ZINC001243793488 1169763724 /nfs/dbraw/zinc/76/37/24/1169763724.db2.gz BWLGGTGHWVTLOM-JTQLQIEISA-N 0 3 213.284 2.247 20 30 BEEDHN N#Cc1ccccc1CNc1cccc(CN)n1 ZINC001167634822 959155963 /nfs/dbraw/zinc/15/59/63/959155963.db2.gz WWNBAJKUIRLIOH-UHFFFAOYSA-N 0 3 238.294 2.024 20 30 BEEDHN C=CCn1cc(-c2cccc(CN(C)C)n2)cn1 ZINC001222382787 972449115 /nfs/dbraw/zinc/44/91/15/972449115.db2.gz PUDCQRDBEWGNRF-UHFFFAOYSA-N 0 3 242.326 2.193 20 30 BEEDHN C/C(=N\[O-])c1ccccc1O[C@H]1CCCC[NH2+]C1 ZINC001217975867 959809939 /nfs/dbraw/zinc/80/99/39/959809939.db2.gz UWCMFWZSOCHUSX-JASJWYONSA-N 0 3 248.326 2.406 20 30 BEEDHN C=CCN(CCNC(=O)[C@@H]1CC=CCC1)C1CC1 ZINC001493349064 959956982 /nfs/dbraw/zinc/95/69/82/959956982.db2.gz POZNRGPDHSVMLW-CYBMUJFWSA-N 0 3 248.370 2.109 20 30 BEEDHN C=C(C)CN(CCNC(=O)c1ccoc1)C1CC1 ZINC001481158150 960134785 /nfs/dbraw/zinc/13/47/85/960134785.db2.gz XWSUWYQNURBCQR-UHFFFAOYSA-N 0 3 248.326 2.050 20 30 BEEDHN CCN(C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140751108 960554028 /nfs/dbraw/zinc/55/40/28/960554028.db2.gz JQGHMYPDXSUKIE-UHFFFAOYSA-N 0 3 210.227 2.288 20 30 BEEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC(C)C)C1 ZINC001481522992 961109857 /nfs/dbraw/zinc/10/98/57/961109857.db2.gz IKTPCLPNFRZKTL-CYBMUJFWSA-N 0 3 238.375 2.189 20 30 BEEDHN C=CCN(C)Cc1ccc2c(c1)OCCCO2 ZINC001142266867 961396048 /nfs/dbraw/zinc/39/60/48/961396048.db2.gz NKUZCFCTEKQLKO-UHFFFAOYSA-N 0 3 233.311 2.466 20 30 BEEDHN N#Cc1ccccc1CN[C@H]1C[C@H]2C[C@H]2C1 ZINC001167898649 961530869 /nfs/dbraw/zinc/53/08/69/961530869.db2.gz SXTWSQPXJUCRSW-WDNDVIMCSA-N 0 3 212.296 2.446 20 30 BEEDHN C=CCN1CC[C@H](N(CC)C(=O)C=C2CCC2)C1 ZINC001481765754 961804446 /nfs/dbraw/zinc/80/44/46/961804446.db2.gz YNUFOJNGOZRQTQ-AWEZNQCLSA-N 0 3 248.370 2.206 20 30 BEEDHN C#CCCCCCN1C[C@@H](C)O[C@@H](C)C1 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/nfs/dbraw/zinc/83/94/82/387839482.db2.gz GXGRGHQLSQSYQX-ZDUSSCGKSA-N 0 3 248.301 2.354 20 30 BEEDHN N#C[C@@H]1CC[C@@H](N[C@H](CO)c2ccc(F)cc2)C1 ZINC000442857170 387851285 /nfs/dbraw/zinc/85/12/85/387851285.db2.gz PCZGPLJIMZJONR-LERXQTSPSA-N 0 3 248.301 2.141 20 30 BEEDHN C=CCn1cc(CNC[C@H]2CCCC[C@H]2C)nn1 ZINC000424172058 387865623 /nfs/dbraw/zinc/86/56/23/387865623.db2.gz NGJOHTXERDBSEE-CHWSQXEVSA-N 0 3 248.374 2.380 20 30 BEEDHN CO[C@H](C)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353598725 387818478 /nfs/dbraw/zinc/81/84/78/387818478.db2.gz UNQDPBFZFSRJOS-YGRLFVJLSA-N 0 3 230.311 2.170 20 30 BEEDHN C=CCN1CCC(NC(=O)CCCCC)CC1 ZINC000194884592 387898075 /nfs/dbraw/zinc/89/80/75/387898075.db2.gz BGEAYAZRVZDECB-UHFFFAOYSA-N 0 3 238.375 2.333 20 30 BEEDHN C=CC[C@H]1N(CC(=O)NCC)CCCC1(C)C ZINC000444785415 387933247 /nfs/dbraw/zinc/93/32/47/387933247.db2.gz YCFMXMJYSYPYNL-GFCCVEGCSA-N 0 3 238.375 2.189 20 30 BEEDHN C=CCn1cc(CN[C@@H]2CCCC2(C)C)nn1 ZINC000424289643 387953587 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/nfs/dbraw/zinc/99/00/17/387990017.db2.gz OQZGPFDJFMXKPP-IHRRRGAJSA-N 0 3 241.375 2.467 20 30 BEEDHN C#CCN(C)CCCOc1ccc(F)cc1 ZINC000045943814 388003902 /nfs/dbraw/zinc/00/39/02/388003902.db2.gz KAKMAYRTXAATGN-UHFFFAOYSA-N 0 3 221.275 2.160 20 30 BEEDHN C=CCN[C@H](CC)c1c(C)nn(C)c1C ZINC000159718115 388028363 /nfs/dbraw/zinc/02/83/63/388028363.db2.gz JNJLUBXQRBEETF-LLVKDONJSA-N 0 3 207.321 2.264 20 30 BEEDHN C=CCNC(=O)[C@H](C)N1CCC(CC)(CC)C1 ZINC000446710421 388030742 /nfs/dbraw/zinc/03/07/42/388030742.db2.gz FGTLVMUMDFRBFF-LBPRGKRZSA-N 0 3 238.375 2.189 20 30 BEEDHN C=CCC[C@H](CO)N[C@H](C)c1ccncc1F ZINC000453359749 388057763 /nfs/dbraw/zinc/05/77/63/388057763.db2.gz PFKRPGZHSUYVJY-GHMZBOCLSA-N 0 3 238.306 2.198 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(CO)c1 ZINC000453369723 388061727 /nfs/dbraw/zinc/06/17/27/388061727.db2.gz SMVVQCZFCFAECT-DFBGVHRSSA-N 0 3 247.338 2.173 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccnc1 ZINC000453371103 388062924 /nfs/dbraw/zinc/06/29/24/388062924.db2.gz VJHOEYYJCKWYAO-BNOWGMLFSA-N 0 3 232.327 2.466 20 30 BEEDHN C=CC[C@@H](CO)CN[C@@H]1CCCc2occc21 ZINC000447586208 388081095 /nfs/dbraw/zinc/08/10/95/388081095.db2.gz MTQRDKXHOGAMTQ-DGCLKSJQSA-N 0 3 235.327 2.431 20 30 BEEDHN C=C(CC)CN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447848802 388096573 /nfs/dbraw/zinc/09/65/73/388096573.db2.gz NBKZAAZGVSEHDI-MJBXVCDLSA-N 0 3 239.359 2.221 20 30 BEEDHN CCOCCNC1CC(C#N)(c2ccccc2)C1 ZINC000086036879 388098887 /nfs/dbraw/zinc/09/88/87/388098887.db2.gz ONUBZABRRTXGNC-UHFFFAOYSA-N 0 3 244.338 2.236 20 30 BEEDHN C=CC[C@@H](CO)CNCc1cc2cccnc2o1 ZINC000449212579 388157580 /nfs/dbraw/zinc/15/75/80/388157580.db2.gz ZYJIOUMOQRNGPY-LLVKDONJSA-N 0 3 246.310 2.102 20 30 BEEDHN C=CCCC[C@@H](C)NCc1c(C)nnn1CC ZINC000449254004 388163658 /nfs/dbraw/zinc/16/36/58/388163658.db2.gz VRAMFWHNAUVFOP-LLVKDONJSA-N 0 3 236.363 2.441 20 30 BEEDHN C=CCC[C@@H](CC)NCc1ccnc(OC)n1 ZINC000449373392 388184834 /nfs/dbraw/zinc/18/48/34/388184834.db2.gz QZABNMYEYVKWAW-LLVKDONJSA-N 0 3 235.331 2.320 20 30 BEEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1CC ZINC000448953196 388122772 /nfs/dbraw/zinc/12/27/72/388122772.db2.gz HLOQOGSKQSUDHA-GFCCVEGCSA-N 0 3 238.375 2.189 20 30 BEEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](O)[C@H](C)C1 ZINC000249543808 388130352 /nfs/dbraw/zinc/13/03/52/388130352.db2.gz FSMZDFOKKJFXSI-JMSVASOKSA-N 0 3 244.338 2.322 20 30 BEEDHN C=CCCN[C@@H](CCO)c1ccccc1F ZINC000646068188 388136484 /nfs/dbraw/zinc/13/64/84/388136484.db2.gz MBQIGTJKBFPPSO-ZDUSSCGKSA-N 0 3 223.291 2.415 20 30 BEEDHN C=CCCCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936283 388253203 /nfs/dbraw/zinc/25/32/03/388253203.db2.gz QUXUSUFCAXUHTJ-LBPRGKRZSA-N 0 3 244.329 2.368 20 30 BEEDHN CN(Cc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000037174876 388191002 /nfs/dbraw/zinc/19/10/02/388191002.db2.gz XLILHGRUWKPHIF-ZDUSSCGKSA-N 0 3 232.352 2.496 20 30 BEEDHN CC(C)c1nc(CN[C@H]2CCC[C@@H](C#N)C2)n[nH]1 ZINC000449404890 388196331 /nfs/dbraw/zinc/19/63/31/388196331.db2.gz GGEUSRQXHNAEEZ-MNOVXSKESA-N 0 3 247.346 2.100 20 30 BEEDHN C=C[C@@H]1CCCCN1C[C@H](O)COCC(C)C ZINC000489492904 388218488 /nfs/dbraw/zinc/21/84/88/388218488.db2.gz ZKPNQUIBENQAPL-KGLIPLIRSA-N 0 3 241.375 2.060 20 30 BEEDHN C=C[C@H]1CCCCN1CCn1ccnc1C ZINC000489504466 388219752 /nfs/dbraw/zinc/21/97/52/388219752.db2.gz AFFQJMVKLRDLAW-ZDUSSCGKSA-N 0 3 219.332 2.232 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccccc1F ZINC000449516849 388221614 /nfs/dbraw/zinc/22/16/14/388221614.db2.gz CTVGSRWCTHJWAX-OLZOCXBDSA-N 0 3 221.275 2.259 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NC/C=C/c1ccncc1 ZINC000449516783 388221735 /nfs/dbraw/zinc/22/17/35/388221735.db2.gz CELQTXINENNKDS-JKWAOEONSA-N 0 3 230.311 2.028 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccncc1F ZINC000449546453 388229269 /nfs/dbraw/zinc/22/92/69/388229269.db2.gz CBRAZTLAFXZDJD-OLZOCXBDSA-N 0 3 236.290 2.044 20 30 BEEDHN C#CCN(Cc1cnn(C)c1C)C1CCCC1 ZINC000490915288 388259832 /nfs/dbraw/zinc/25/98/32/388259832.db2.gz MVMDZOBXEPIEHH-UHFFFAOYSA-N 0 3 231.343 2.106 20 30 BEEDHN C[C@H](NCCn1ccnc1)c1cccc(C#N)c1 ZINC000041119737 388233519 /nfs/dbraw/zinc/23/35/19/388233519.db2.gz BMWARLYJMNTITF-LBPRGKRZSA-N 0 3 240.310 2.106 20 30 BEEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCOC1 ZINC000490689058 388247681 /nfs/dbraw/zinc/24/76/81/388247681.db2.gz MRFBSUODYZYKEU-AWEZNQCLSA-N 0 3 247.313 2.297 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccnc1 ZINC000451605901 388283515 /nfs/dbraw/zinc/28/35/15/388283515.db2.gz LAMRAKZSFTXNLX-UHTWSYAYSA-N 0 3 218.300 2.076 20 30 BEEDHN C#CC(C)(C)N(C)CCOCC1CCC1 ZINC000491309210 388284323 /nfs/dbraw/zinc/28/43/23/388284323.db2.gz XSWGYEBQBKQGQZ-UHFFFAOYSA-N 0 3 209.333 2.147 20 30 BEEDHN CO[C@@H]1CCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000451632381 388286538 /nfs/dbraw/zinc/28/65/38/388286538.db2.gz OGOVZCDXZCVRQX-HUUCEWRRSA-N 0 3 247.313 2.334 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)cn1 ZINC000451677865 388289394 /nfs/dbraw/zinc/28/93/94/388289394.db2.gz CYLLUZAFIJOENR-OLZOCXBDSA-N 0 3 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166346582 /nfs/dbraw/zinc/34/65/82/166346582.db2.gz KVPMSBGDWNVOJB-OAHLLOKOSA-N 0 3 249.354 2.072 20 30 BEEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CC ZINC000264413610 166346630 /nfs/dbraw/zinc/34/66/30/166346630.db2.gz GXZREHGMHJIFIA-CQSZACIVSA-N 0 3 249.354 2.454 20 30 BEEDHN C=CCN1CCC(N[C@H](C)c2cc(C)on2)CC1 ZINC000279592324 166352950 /nfs/dbraw/zinc/35/29/50/166352950.db2.gz OKPBSLWUXZCBJH-GFCCVEGCSA-N 0 3 249.358 2.284 20 30 BEEDHN C=CCN1CCC(Nc2cc(C#N)ccn2)CC1 ZINC000283714471 166354079 /nfs/dbraw/zinc/35/40/79/166354079.db2.gz FHVFNMALFOWJJW-UHFFFAOYSA-N 0 3 242.326 2.016 20 30 BEEDHN C=CC[C@@H]1CCCN(Cc2c(C)nnn2CC)C1 ZINC000661386894 410602798 /nfs/dbraw/zinc/60/27/98/410602798.db2.gz WCGVGTXZOAQVLX-CYBMUJFWSA-N 0 3 248.374 2.395 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnc(C)s1 ZINC000651433370 411024225 /nfs/dbraw/zinc/02/42/25/411024225.db2.gz STVZRKSWMQKMOY-IEBDPFPHSA-N 0 3 238.356 2.446 20 30 BEEDHN C=CC[C@@H]1CC[C@H](NCc2cc[nH]n2)C1 ZINC000651671720 411134959 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C=CCCNCc1cn(C)nc1C(F)F ZINC000657583129 411554448 /nfs/dbraw/zinc/55/44/48/411554448.db2.gz BSHPQQJSEZMWLZ-UHFFFAOYSA-N 0 3 215.247 2.023 20 30 BEEDHN C=CCCNCc1cn(C(C)C)nc1C ZINC000657583183 411554535 /nfs/dbraw/zinc/55/45/35/411554535.db2.gz FRJGEYDUQIONKI-UHFFFAOYSA-N 0 3 207.321 2.438 20 30 BEEDHN C=CCCNCc1cc2cccnc2o1 ZINC000657583791 411554999 /nfs/dbraw/zinc/55/49/99/411554999.db2.gz QFDXLGGOVPZEKJ-UHFFFAOYSA-N 0 3 202.257 2.494 20 30 BEEDHN C=CCC1(NCc2cscn2)CCOCC1 ZINC000657633164 411567040 /nfs/dbraw/zinc/56/70/40/411567040.db2.gz JNFIUMFXMKNTDN-UHFFFAOYSA-N 0 3 238.356 2.358 20 30 BEEDHN C=CCC1(NCc2ccccn2)CCOCC1 ZINC000657633283 411567108 /nfs/dbraw/zinc/56/71/08/411567108.db2.gz SSKSOBHZICBNDP-UHFFFAOYSA-N 0 3 232.327 2.297 20 30 BEEDHN C=CCOCCCNCc1ccccc1OC ZINC000657656826 411571586 /nfs/dbraw/zinc/57/15/86/411571586.db2.gz LIQIEHCZSWHFKP-UHFFFAOYSA-N 0 3 235.327 2.378 20 30 BEEDHN C=CCOCCCNCc1ncc(CC)s1 ZINC000657658458 411572250 /nfs/dbraw/zinc/57/22/50/411572250.db2.gz 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2.247 20 30 BEEDHN C=CCN(CC(=O)N[C@H](C)CC)C(C)(C)C ZINC000661754786 411866642 /nfs/dbraw/zinc/86/66/42/411866642.db2.gz ASSRKERVIQLHPD-LLVKDONJSA-N 0 3 226.364 2.188 20 30 BEEDHN C=CCNC(=O)CN1CCCC(CC)(CC)C1 ZINC000661675726 411834885 /nfs/dbraw/zinc/83/48/85/411834885.db2.gz YFDOLGFLTDASJF-UHFFFAOYSA-N 0 3 238.375 2.191 20 30 BEEDHN C=CCN(CC(=O)N1CCCCC1)C(C)(C)C ZINC000661755641 411866909 /nfs/dbraw/zinc/86/69/09/411866909.db2.gz WWAPTHBIPIYAFZ-UHFFFAOYSA-N 0 3 238.375 2.285 20 30 BEEDHN C=CCN(CC(=O)NCC1CCC1)C(C)(C)C ZINC000661756575 411867078 /nfs/dbraw/zinc/86/70/78/411867078.db2.gz QUXXILCELQLXNM-UHFFFAOYSA-N 0 3 238.375 2.189 20 30 BEEDHN CC#CCN1CCC([C@H]2CCCCO2)CC1 ZINC000661869477 411911012 /nfs/dbraw/zinc/91/10/12/411911012.db2.gz YHDMCZCQDIVBLJ-CQSZACIVSA-N 0 3 221.344 2.291 20 30 BEEDHN C=CCOCCN1CC[C@@H](Oc2ccccc2)C1 ZINC000662064636 411968458 /nfs/dbraw/zinc/96/84/58/411968458.db2.gz DLXFMOHSJHGPCF-OAHLLOKOSA-N 0 3 247.338 2.342 20 30 BEEDHN CCC#C[C@H](C)N(C)CC1=CCSC1 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20 30 BEEDHN Cc1cc(C(C#N)C(=O)C=C2CCC2)nc(C)n1 ZINC000756234708 585316038 /nfs/dbraw/zinc/31/60/38/585316038.db2.gz YSFWJEALYWORMU-LBPRGKRZSA-N 0 3 241.294 2.380 20 30 BEEDHN C=C(Cl)CN[C@H](CC)[C@@H]1CCCO1 ZINC000839552137 585329834 /nfs/dbraw/zinc/32/98/34/585329834.db2.gz OXKHCIDBSQEROU-ZJUUUORDSA-N 0 3 203.713 2.286 20 30 BEEDHN C=C(Cl)CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000839549868 585330209 /nfs/dbraw/zinc/33/02/09/585330209.db2.gz DBBUQGHQHJQVPV-MNOVXSKESA-N 0 3 215.724 2.286 20 30 BEEDHN C=C(Cl)CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000839615376 585332254 /nfs/dbraw/zinc/33/22/54/585332254.db2.gz UERTVZMVLPFBJT-NEPJUHHUSA-N 0 3 229.751 2.126 20 30 BEEDHN C=C(Cl)CN[C@H]1CCCC[C@H]1C(=O)OC ZINC000839613740 585332358 /nfs/dbraw/zinc/33/23/58/585332358.db2.gz JRUIXIBUHBBIBJ-ZJUUUORDSA-N 0 3 231.723 2.060 20 30 BEEDHN CCSc1ccccc1C(C)=NNC(=N)N ZINC000759646291 585377786 /nfs/dbraw/zinc/37/77/86/585377786.db2.gz HMXATXOEVHTBOU-UHFFFAOYSA-N 0 3 236.344 2.006 20 30 BEEDHN Cc1cc(C)c(C=NNCCN2CCCCC2)[nH]1 ZINC000760244312 585387374 /nfs/dbraw/zinc/38/73/74/585387374.db2.gz UQJPJHVHEFVSPV-UHFFFAOYSA-N 0 3 248.374 2.041 20 30 BEEDHN C#CCCN(CCC(=O)OC)Cc1ccccc1 ZINC000760826188 585398521 /nfs/dbraw/zinc/39/85/21/585398521.db2.gz AKVFQCBCVXJAKA-UHFFFAOYSA-N 0 3 245.322 2.075 20 30 BEEDHN C#CCCN1CCC(c2ccccn2)CC1 ZINC000760886516 585400818 /nfs/dbraw/zinc/40/08/18/585400818.db2.gz MSBSBOKLOYXMQW-UHFFFAOYSA-N 0 3 214.312 2.284 20 30 BEEDHN C#CCCN1CCN(c2ccc(C)c(C)c2)CC1 ZINC000760884135 585400926 /nfs/dbraw/zinc/40/09/26/585400926.db2.gz CFMSXDQAAQENSC-UHFFFAOYSA-N 0 3 242.366 2.449 20 30 BEEDHN CCCCCCCN1CCN(CCC#N)CC1 ZINC000760943985 585402299 /nfs/dbraw/zinc/40/22/99/585402299.db2.gz OTAGVMPEYKDTEU-UHFFFAOYSA-N 0 3 237.391 2.488 20 30 BEEDHN CCCCCCCCN1CC[C@@H](NC(N)=O)C1 ZINC000762924366 585439775 /nfs/dbraw/zinc/43/97/75/585439775.db2.gz CEVKGPKXVIEIQM-GFCCVEGCSA-N 0 3 241.379 2.090 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1ccc(F)cc1F ZINC000763901972 585456844 /nfs/dbraw/zinc/45/68/44/585456844.db2.gz SAXPGRFOEKFUTQ-UHFFFAOYSA-N 0 3 240.253 2.021 20 30 BEEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000763921521 585456945 /nfs/dbraw/zinc/45/69/45/585456945.db2.gz UUDMLWNWTDDOMR-WCFLWFBJSA-N 0 3 238.375 2.045 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1ccc(F)cc1C ZINC000763927950 585457043 /nfs/dbraw/zinc/45/70/43/585457043.db2.gz NYOVFFKVPSSSSZ-UHFFFAOYSA-N 0 3 236.290 2.190 20 30 BEEDHN C=C(CN(C)C)C(=O)NC[C@H](CC)CCCC ZINC000764152307 585460905 /nfs/dbraw/zinc/46/09/05/585460905.db2.gz QLISQPLNEKJKJZ-CYBMUJFWSA-N 0 3 240.391 2.437 20 30 BEEDHN C#CCCN(C)CCOc1ccccc1OC ZINC000764235395 585462440 /nfs/dbraw/zinc/46/24/40/585462440.db2.gz SQFCOHJWOLGQSM-UHFFFAOYSA-N 0 3 233.311 2.029 20 30 BEEDHN C=C(CN(C)C)C(=O)N(C)c1cccc(C)c1 ZINC000764472876 585466173 /nfs/dbraw/zinc/46/61/73/585466173.db2.gz VCAFGYMETXECLM-UHFFFAOYSA-N 0 3 232.327 2.076 20 30 BEEDHN CC(C)N1CC(=NOCC(F)(F)F)[C@@H](C)C1 ZINC000764846751 585475727 /nfs/dbraw/zinc/47/57/27/585475727.db2.gz OYYWILJFVHZFFN-QMMMGPOBSA-N 0 3 238.253 2.281 20 30 BEEDHN CCN1CCC(=NOCC(F)(F)F)[C@H](C)C1 ZINC000764845305 585475847 /nfs/dbraw/zinc/47/58/47/585475847.db2.gz SKYPFYIVERZDAH-MRVPVSSYSA-N 0 3 238.253 2.283 20 30 BEEDHN Cc1cc(CNC[C@H](O)CC(C)C)ccc1C#N ZINC000767695083 585524930 /nfs/dbraw/zinc/52/49/30/585524930.db2.gz ZJMBOEXWUFIVGJ-OAHLLOKOSA-N 0 3 246.354 2.363 20 30 BEEDHN CCC(=NNC(=N)N)c1c(F)cccc1Cl ZINC000767743723 585525394 /nfs/dbraw/zinc/52/53/94/585525394.db2.gz LZWBVKDGQZFVTM-UHFFFAOYSA-N 0 3 242.685 2.076 20 30 BEEDHN COc1cccc(O)c1CN1CCC(C#N)CC1 ZINC000769192095 585550978 /nfs/dbraw/zinc/55/09/78/585550978.db2.gz CTSLVHQSTKCBHI-UHFFFAOYSA-N 0 3 246.310 2.136 20 30 BEEDHN C#CCCN1CC[C@@H](CC(F)(F)F)C1 ZINC000769844678 585565140 /nfs/dbraw/zinc/56/51/40/585565140.db2.gz BWNCOUCURBSVQH-VIFPVBQESA-N 0 3 205.223 2.284 20 30 BEEDHN COc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1[O-] ZINC000769945119 585566964 /nfs/dbraw/zinc/56/69/64/585566964.db2.gz PICKXXVEBYGVNE-PWSUYJOCSA-N 0 3 246.310 2.183 20 30 BEEDHN COc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1[O-] ZINC000769945120 585567028 /nfs/dbraw/zinc/56/70/28/585567028.db2.gz PICKXXVEBYGVNE-ZYHUDNBSSA-N 0 3 246.310 2.183 20 30 BEEDHN C#C[C@@H](C)N(C)CCOc1ccc(C)cc1 ZINC000769975407 585568167 /nfs/dbraw/zinc/56/81/67/585568167.db2.gz FWXRVVZDFRNVMM-CYBMUJFWSA-N 0 3 217.312 2.327 20 30 BEEDHN C=C(CC)CN1CCCC[C@H]1C1OCCO1 ZINC000773427301 585636673 /nfs/dbraw/zinc/63/66/73/585636673.db2.gz JWJFZCHPXXMQMF-LBPRGKRZSA-N 0 3 225.332 2.180 20 30 BEEDHN CCc1cc(CN[C@@H]2CCC[C@H](C#N)C2)n[nH]1 ZINC000774188878 585652977 /nfs/dbraw/zinc/65/29/77/585652977.db2.gz KFMYQLPCDQRCEO-CMPLNLGQSA-N 0 3 232.331 2.144 20 30 BEEDHN CCc1cc(CN[C@@H]2CCC[C@H](C#N)C2)[nH]n1 ZINC000774188878 585652978 /nfs/dbraw/zinc/65/29/78/585652978.db2.gz KFMYQLPCDQRCEO-CMPLNLGQSA-N 0 3 232.331 2.144 20 30 BEEDHN C=C[C@H](C)NCc1ccc2c(c1)CCC(=O)N2C ZINC000775309846 585675270 /nfs/dbraw/zinc/67/52/70/585675270.db2.gz GLUUDHFSGHXUMJ-NSHDSACASA-N 0 3 244.338 2.260 20 30 BEEDHN C#C[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@H]1CCCO1 ZINC000775571780 585680211 /nfs/dbraw/zinc/68/02/11/585680211.db2.gz LPGXXNTZDZXCMV-OSAQELSMSA-N 0 3 245.322 2.224 20 30 BEEDHN C#C[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@@H]1CCCO1 ZINC000775571782 585680492 /nfs/dbraw/zinc/68/04/92/585680492.db2.gz LPGXXNTZDZXCMV-ZLDLUXBVSA-N 0 3 245.322 2.224 20 30 BEEDHN C#C[C@@H](NCCCC(C)(C)C#N)[C@H]1CCCO1 ZINC000775801739 585685683 /nfs/dbraw/zinc/68/56/83/585685683.db2.gz YUGQHIVQJKEGRT-CHWSQXEVSA-N 0 3 234.343 2.087 20 30 BEEDHN C#CCN(CC#C)C[C@@H](C)Cc1ccccc1 ZINC000775921450 585687629 /nfs/dbraw/zinc/68/76/29/585687629.db2.gz HWTOFHHASIUADE-HNNXBMFYSA-N 0 3 225.335 2.434 20 30 BEEDHN C[C@@H]1CCOCCN1CCC(C)(C)C#N ZINC000776604653 585702089 /nfs/dbraw/zinc/70/20/89/585702089.db2.gz DLMKDHWQWUFTAO-LLVKDONJSA-N 0 3 210.321 2.037 20 30 BEEDHN N#CCOc1ccc(CN2CC=CCC2)cc1 ZINC000778965657 585742918 /nfs/dbraw/zinc/74/29/18/585742918.db2.gz FDOAPZXTPKLZSC-UHFFFAOYSA-N 0 3 228.295 2.351 20 30 BEEDHN C[C@@H](C#N)OC(=O)C(C)(C)N(C)C1CCCC1 ZINC000779123857 585745515 /nfs/dbraw/zinc/74/55/15/585745515.db2.gz YCBODNUEWVNQKV-JTQLQIEISA-N 0 3 238.331 2.095 20 30 BEEDHN CCCC[C@H]1CCCC1=NNC1=N[C@H](C)CN1 ZINC000779792486 585764062 /nfs/dbraw/zinc/76/40/62/585764062.db2.gz SFJOKALVGOYQFL-MNOVXSKESA-N 0 3 236.363 2.270 20 30 BEEDHN C[C@@H]1CC(N=Nc2ccc3n[nH]cc3c2)CN1C ZINC000779817106 585766823 /nfs/dbraw/zinc/76/68/23/585766823.db2.gz BXOGYWPDDYIJND-SECBINFHSA-N 0 3 243.314 2.055 20 30 BEEDHN Cc1nc2c(s1)[C@H](NC(=O)C(C)C#N)CCC2 ZINC000780790585 585784796 /nfs/dbraw/zinc/78/47/96/585784796.db2.gz XQMWCAZLRJGHJZ-OIBJUYFYSA-N 0 3 249.339 2.105 20 30 BEEDHN CC(C)[C@H](F)C(=O)C(C#N)c1ccccn1 ZINC000784491326 585861265 /nfs/dbraw/zinc/86/12/65/585861265.db2.gz SCSLDEGMGMCZMN-ONGXEEELSA-N 0 3 220.247 2.252 20 30 BEEDHN C[C@@H](C#N)Oc1ccc(CNCCCC#N)cc1 ZINC000784621232 585865096 /nfs/dbraw/zinc/86/50/96/585865096.db2.gz GMMRFERMNJYGME-LBPRGKRZSA-N 0 3 243.310 2.371 20 30 BEEDHN C=C[C@@H]1CCCCN1CC(OCC)OCC ZINC000785997379 585884927 /nfs/dbraw/zinc/88/49/27/585884927.db2.gz MICJINQWPQSUBM-GFCCVEGCSA-N 0 3 227.348 2.426 20 30 BEEDHN C=C[C@@H]1CCCCN1CCC(=O)C1CC1 ZINC000785999368 585884990 /nfs/dbraw/zinc/88/49/90/585884990.db2.gz TZQQYVXFSWKROH-GFCCVEGCSA-N 0 3 207.317 2.396 20 30 BEEDHN N#CC(C(=O)[C@H]1CCCOCC1)c1ccccn1 ZINC000786297595 585889324 /nfs/dbraw/zinc/88/93/24/585889324.db2.gz CBFWVZUZLULCJS-RYUDHWBXSA-N 0 3 244.294 2.075 20 30 BEEDHN C#CCCCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000789800402 585950128 /nfs/dbraw/zinc/95/01/28/585950128.db2.gz GAFUJIJQQCCOGL-AWEZNQCLSA-N 0 3 249.354 2.350 20 30 BEEDHN C=CCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000789801137 585950292 /nfs/dbraw/zinc/95/02/92/585950292.db2.gz MCRBQTRNVOZHAX-GFCCVEGCSA-N 0 3 223.316 2.123 20 30 BEEDHN C=C[C@@H](CC)OC(=O)C1CCN(C2CC2)CC1 ZINC000805909291 585956461 /nfs/dbraw/zinc/95/64/61/585956461.db2.gz WKUVCMQLORBLDY-ZDUSSCGKSA-N 0 3 237.343 2.369 20 30 BEEDHN Cc1cccnc1N=NC1CN(C2CC2)C[C@H]1C ZINC000790184780 585960307 /nfs/dbraw/zinc/96/03/07/585960307.db2.gz BQITWCDJXLHESM-LLVKDONJSA-N 0 3 244.342 2.272 20 30 BEEDHN CC[C@@H](C)NN=Cc1ccc(N(C)C)cc1 ZINC000790190704 585960657 /nfs/dbraw/zinc/96/06/57/585960657.db2.gz PPNSNRWOUJGPKR-LLVKDONJSA-N 0 3 219.332 2.475 20 30 BEEDHN C=CCN(C(C)C)[C@H]1CCCN(C(C)C)C1=O ZINC000790265846 585962250 /nfs/dbraw/zinc/96/22/50/585962250.db2.gz JBVQJYFCNIZAGK-ZDUSSCGKSA-N 0 3 238.375 2.282 20 30 BEEDHN Cn1cc[nH+]c1[N-]N=Cc1cc2ccccc2[nH]1 ZINC000790305257 585963256 /nfs/dbraw/zinc/96/32/56/585963256.db2.gz HBPHXJYASQTBDV-UHFFFAOYSA-N 0 3 239.282 2.347 20 30 BEEDHN C#CCCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000791580207 585984611 /nfs/dbraw/zinc/98/46/11/585984611.db2.gz XUFYSQPCKMBRCZ-BDAKNGLRSA-N 0 3 205.223 2.282 20 30 BEEDHN CC(C)[C@@H]1CCCC(=Nn2cnnc2)C1 ZINC000794449604 586039924 /nfs/dbraw/zinc/03/99/24/586039924.db2.gz YJVHPXQALFSHPU-SNVBAGLBSA-N 0 3 206.293 2.328 20 30 BEEDHN CC(N=NC(=N)N)[C@@H](C)c1ccc(Cl)cc1 ZINC000794488443 586040515 /nfs/dbraw/zinc/04/05/15/586040515.db2.gz HTDKQKQIKWVOFQ-SSDOTTSWSA-N 0 3 238.722 2.302 20 30 BEEDHN C#CC(C)(C)N(C)CCN1CCc2ccccc21 ZINC000794537418 586042480 /nfs/dbraw/zinc/04/24/80/586042480.db2.gz ZMYFWCNXRYICDA-UHFFFAOYSA-N 0 3 242.366 2.393 20 30 BEEDHN C[C@H]1CC(N=Nc2ncccc2F)CCN1C ZINC000794981228 586061253 /nfs/dbraw/zinc/06/12/53/586061253.db2.gz WGBOGJPDQPGOMK-VIFPVBQESA-N 0 3 236.294 2.103 20 30 BEEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000797878139 586133528 /nfs/dbraw/zinc/13/35/28/586133528.db2.gz NLNCVZGBLFALFY-ZFWWWQNUSA-N 0 3 247.338 2.463 20 30 BEEDHN C#CCCN1CCN(C[C@H](C)CC(C)C)CC1 ZINC000799146895 586162077 /nfs/dbraw/zinc/16/20/77/586162077.db2.gz IRCMLISOUMQEGJ-OAHLLOKOSA-N 0 3 236.403 2.310 20 30 BEEDHN N#CCCCN1CC[C@H](c2ccccn2)C1 ZINC000799194225 586166644 /nfs/dbraw/zinc/16/66/44/586166644.db2.gz QQSVDTGKDRYSKA-LBPRGKRZSA-N 0 3 215.300 2.175 20 30 BEEDHN Cc1cccc(NNC2=CC(=O)N3CCCC23)c1 ZINC000799464597 586177326 /nfs/dbraw/zinc/17/73/26/586177326.db2.gz FSTPMLAEHFEGLU-CYBMUJFWSA-N 0 3 243.310 2.158 20 30 BEEDHN N#C[C@@H]1CC[C@@H](NC[C@H](O)c2cccc(F)c2)C1 ZINC000799716822 586193976 /nfs/dbraw/zinc/19/39/76/586193976.db2.gz YRYNRWHVTVPLDE-HONMWMINSA-N 0 3 248.301 2.141 20 30 BEEDHN Cc1ccc([C@@H](O)CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000799724613 586194751 /nfs/dbraw/zinc/19/47/51/586194751.db2.gz GBLNAUKLDAODNI-SNPRPXQTSA-N 0 3 244.338 2.310 20 30 BEEDHN CC(C)N(CCO[C@H](C)C#N)Cc1ccccn1 ZINC000801913639 586276366 /nfs/dbraw/zinc/27/63/66/586276366.db2.gz ZLLWWGUDGHIJGM-CYBMUJFWSA-N 0 3 247.342 2.221 20 30 BEEDHN C[C@@H](C#N)OCCN1CCC[C@H]1c1ccc[nH]1 ZINC000801930024 586278769 /nfs/dbraw/zinc/27/87/69/586278769.db2.gz BZUXLPQXZQKCAX-AAEUAGOBSA-N 0 3 233.315 2.080 20 30 BEEDHN C[C@@H](C#N)OCCNC1(c2ccc(F)cc2)CC1 ZINC000801932862 586278970 /nfs/dbraw/zinc/27/89/70/586278970.db2.gz ZWNPLULRPCRVQJ-NSHDSACASA-N 0 3 248.301 2.333 20 30 BEEDHN C[C@H](C#N)OCCN(C)[C@H](C)c1cccc(O)c1 ZINC000801932058 586278992 /nfs/dbraw/zinc/27/89/92/586278992.db2.gz GEXFYPOCUBFLED-VXGBXAGGSA-N 0 3 248.326 2.314 20 30 BEEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1ccccn1 ZINC000802040139 586286907 /nfs/dbraw/zinc/28/69/07/586286907.db2.gz HXYBFFSDLVAXFZ-NNNHXZLVSA-N 0 3 237.262 2.299 20 30 BEEDHN C[C@H]1CC(N=NCC2CCCC2)CN1C1CC1 ZINC000808007130 586458759 /nfs/dbraw/zinc/45/87/59/586458759.db2.gz QZALNJGBOZYANG-NSHDSACASA-N 0 3 235.375 2.379 20 30 BEEDHN C#Cc1ccc(CNC[C@H]2CCC=CO2)cc1 ZINC000809648975 586510852 /nfs/dbraw/zinc/51/08/52/586510852.db2.gz OQYNTUMIRKRBPN-OAHLLOKOSA-N 0 3 227.307 2.450 20 30 BEEDHN C#C[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000809684199 586512050 /nfs/dbraw/zinc/51/20/50/586512050.db2.gz REXIKVBYQQDXCL-RYUDHWBXSA-N 0 3 228.295 2.089 20 30 BEEDHN C#C[C@@H](C)NCc1ccc(OC)c(OC)c1C ZINC000809684061 586512103 /nfs/dbraw/zinc/51/21/03/586512103.db2.gz ZROZYISGPBHZBT-SNVBAGLBSA-N 0 3 233.311 2.124 20 30 BEEDHN C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000809684187 586512415 /nfs/dbraw/zinc/51/24/15/586512415.db2.gz QQQFOGUKZARFEN-OLZOCXBDSA-N 0 3 244.338 2.323 20 30 BEEDHN C#C[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000809684043 586512471 /nfs/dbraw/zinc/51/24/71/586512471.db2.gz YNSONEMQKNEZSK-IOCXFXADSA-N 0 3 230.267 2.219 20 30 BEEDHN C#Cc1ccc(CN(C)[C@@H]2CCCOC2)cc1 ZINC000809692638 586513507 /nfs/dbraw/zinc/51/35/07/586513507.db2.gz BZTQYTNJQVXBGJ-OAHLLOKOSA-N 0 3 229.323 2.279 20 30 BEEDHN C[C@@H]1CNC(NN=C2CCC3(CCCC3)CC2)=N1 ZINC000811647097 586562629 /nfs/dbraw/zinc/56/26/29/586562629.db2.gz XNDFQUUBQUHPCY-LLVKDONJSA-N 0 3 248.374 2.414 20 30 BEEDHN CN(C)c1ccncc1C=NOC/C=C\Cl ZINC000811667710 586565009 /nfs/dbraw/zinc/56/50/09/586565009.db2.gz BLHDJOYOJLZXDT-GSUJTSEKSA-N 0 3 239.706 2.251 20 30 BEEDHN CCN1CCC(=NOC/C=C\Cl)[C@H](C)C1 ZINC000811669983 586565360 /nfs/dbraw/zinc/56/53/60/586565360.db2.gz XFBQREDQLWTYBR-DOYVTRJVSA-N 0 3 230.739 2.473 20 30 BEEDHN CN(C)c1ccncc1C=NOC1CCC1 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217.316 2.265 20 30 BEEDHN C#C[C@H](NCc1ccoc1C)C1CCOCC1 ZINC000827555548 587388049 /nfs/dbraw/zinc/38/80/49/587388049.db2.gz WDYVAEFBGGHHMT-AWEZNQCLSA-N 0 3 233.311 2.106 20 30 BEEDHN C#C[C@@H](NCc1cc(C)oc1C)C1CCOCC1 ZINC000827565191 587388426 /nfs/dbraw/zinc/38/84/26/587388426.db2.gz JRKKGBIGUCOHSQ-OAHLLOKOSA-N 0 3 247.338 2.414 20 30 BEEDHN C#C[C@H](NCc1cc(C)oc1C)C1CCOCC1 ZINC000827565182 587388513 /nfs/dbraw/zinc/38/85/13/587388513.db2.gz JRKKGBIGUCOHSQ-HNNXBMFYSA-N 0 3 247.338 2.414 20 30 BEEDHN C#C[C@@H](NCc1ccsc1)C1CCOCC1 ZINC000827569690 587388897 /nfs/dbraw/zinc/38/88/97/587388897.db2.gz CVJHCKBHRBCAMZ-CYBMUJFWSA-N 0 3 235.352 2.266 20 30 BEEDHN C#C[C@@H](NCc1cccc(F)c1)C1CCOCC1 ZINC000827570354 587389522 /nfs/dbraw/zinc/38/95/22/587389522.db2.gz MXLBOFBLGPKFJD-OAHLLOKOSA-N 0 3 247.313 2.344 20 30 BEEDHN C=C(C)[C@@H](CO)N1CCc2c(C)cccc2C1 ZINC000827684850 587396245 /nfs/dbraw/zinc/39/62/45/587396245.db2.gz GYAOCLFMWGMJMR-OAHLLOKOSA-N 0 3 231.339 2.290 20 30 BEEDHN 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587518596 /nfs/dbraw/zinc/51/85/96/587518596.db2.gz PQEPULMZSAXSOQ-NSHDSACASA-N 0 3 231.286 2.003 20 30 BEEDHN C#CC[C@H]1CCCN(Cc2cc(C)ncn2)C1 ZINC000829815005 587518907 /nfs/dbraw/zinc/51/89/07/587518907.db2.gz DNENVLPJBAKNJV-ZDUSSCGKSA-N 0 3 229.327 2.020 20 30 BEEDHN CC(C#N)C(=O)N(C)Cc1ccc2cc[nH]c2c1 ZINC000830081947 587535145 /nfs/dbraw/zinc/53/51/45/587535145.db2.gz JNLMYZMKCZWGHF-SNVBAGLBSA-N 0 3 241.294 2.286 20 30 BEEDHN CCCCCCCN(C)CCNC(C)=O ZINC000830131691 587537904 /nfs/dbraw/zinc/53/79/04/587537904.db2.gz ZAAHEGZQKCZQNY-UHFFFAOYSA-N 0 3 214.353 2.025 20 30 BEEDHN C#CC1CCN(CCc2cncs2)CC1 ZINC000830350656 587547258 /nfs/dbraw/zinc/54/72/58/587547258.db2.gz FJWCZLFKRRFGFT-UHFFFAOYSA-N 0 3 220.341 2.031 20 30 BEEDHN Cc1cc(F)ccc1[C@H](C)NC(=O)C(C)C#N ZINC000830375914 587548200 /nfs/dbraw/zinc/54/82/00/587548200.db2.gz VHCMNYKSYBAQGP-UWVGGRQHSA-N 0 3 234.274 2.471 20 30 BEEDHN C=C1CCC(CNC(=O)CN(C)CCC)CC1 ZINC000831002256 587581375 /nfs/dbraw/zinc/58/13/75/587581375.db2.gz 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C#CCN1CCC[C@H](OC2CCC2)CC1 ZINC000872276827 589904218 /nfs/dbraw/zinc/90/42/18/589904218.db2.gz MMQZCMMVRNHVAW-ZDUSSCGKSA-N 0 3 207.317 2.043 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)C(C)C ZINC000873299249 590024642 /nfs/dbraw/zinc/02/46/42/590024642.db2.gz QFRFOIICEGNKIL-NSHDSACASA-N 0 3 226.364 2.078 20 30 BEEDHN COc1ccc(CNCCCF)cc1C#N ZINC000124427785 589990254 /nfs/dbraw/zinc/99/02/54/589990254.db2.gz KTYSOBMLIBTDLE-UHFFFAOYSA-N 0 3 222.263 2.016 20 30 BEEDHN C#CCOc1ccccc1CNCCCF ZINC000124432490 589990921 /nfs/dbraw/zinc/99/09/21/589990921.db2.gz FUPVBEMADJMTCT-UHFFFAOYSA-N 0 3 221.275 2.148 20 30 BEEDHN C#C[C@H]1CC[C@H](NCc2cc(C)no2)CC1 ZINC000873197855 589992157 /nfs/dbraw/zinc/99/21/57/589992157.db2.gz GKUJCEXFFUNNRQ-HAQNSBGRSA-N 0 3 218.300 2.265 20 30 BEEDHN C=CCCCCCN(C)Cc1cnc(N)cn1 ZINC000873205614 589994311 /nfs/dbraw/zinc/99/43/11/589994311.db2.gz PTRFCZSAMDQUKR-UHFFFAOYSA-N 0 3 234.347 2.237 20 30 BEEDHN C=CCCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874839121 590145057 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KMLLPZGQKIXTPW-UHFFFAOYSA-N 0 3 238.375 2.027 20 30 BEEDHN C#CCCCCCCN1CCO[C@H](C)C1 ZINC000876555687 590215378 /nfs/dbraw/zinc/21/53/78/590215378.db2.gz CZHZENZCJIGCSA-CYBMUJFWSA-N 0 3 209.333 2.291 20 30 BEEDHN C#CCCCCCCN(CC(N)=O)CC(C)C ZINC000876599187 590220484 /nfs/dbraw/zinc/22/04/84/590220484.db2.gz WQPOFCFAWWVKEX-UHFFFAOYSA-N 0 3 238.375 2.013 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCCC)C1CC1 ZINC000876602169 590221036 /nfs/dbraw/zinc/22/10/36/590221036.db2.gz YHNMHNGYBLNABZ-NSHDSACASA-N 0 3 244.766 2.247 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC(C)(C)C1 ZINC000876605230 590221233 /nfs/dbraw/zinc/22/12/33/590221233.db2.gz SMXFIBBJAKZXPJ-SNVBAGLBSA-N 0 3 244.766 2.105 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)CCC ZINC000876628124 590223341 /nfs/dbraw/zinc/22/33/41/590223341.db2.gz GEADRIAHFJVXFY-VHSXEESVSA-N 0 3 232.755 2.151 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000876669988 590228638 /nfs/dbraw/zinc/22/86/38/590228638.db2.gz CWNLXHXFPKLNTM-GDPRMGEGSA-N 0 3 244.766 2.103 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(C(C)C)CC1 ZINC000876678896 590229310 /nfs/dbraw/zinc/22/93/10/590229310.db2.gz SEYKZESVQJYAKY-SNVBAGLBSA-N 0 3 244.766 2.009 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CCC1CC1 ZINC000876897818 590254742 /nfs/dbraw/zinc/25/47/42/590254742.db2.gz GHQJSDGTEWMHIV-ONGXEEELSA-N 0 3 244.766 2.151 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@@H](C)CC[C@@H]1CC ZINC000876901701 590255666 /nfs/dbraw/zinc/25/56/66/590255666.db2.gz HTPKGEGJAVBZEO-DCAQKATOSA-N 0 3 244.766 2.246 20 30 BEEDHN C[C@H]1C[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000876930858 590258099 /nfs/dbraw/zinc/25/80/99/590258099.db2.gz FAMJRGMMWQJIDA-WPRPVWTQSA-N 0 3 235.718 2.352 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000876959763 590261639 /nfs/dbraw/zinc/26/16/39/590261639.db2.gz XGNOMELNUGIIFC-FBIMIBRVSA-N 0 3 244.766 2.103 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C(C)C)C1CC1 ZINC000876973415 590263076 /nfs/dbraw/zinc/26/30/76/590263076.db2.gz FXAMRZQGWDKTBI-GHMZBOCLSA-N 0 3 244.766 2.007 20 30 BEEDHN C=CCCOCCNC[C@@H]1CC1(Cl)Cl ZINC000877125083 590289467 /nfs/dbraw/zinc/28/94/67/590289467.db2.gz XDSNOFVWDMKGQN-VIFPVBQESA-N 0 3 238.158 2.363 20 30 BEEDHN C#CCCCCCCNCc1cc(C)ncn1 ZINC000877124259 590289557 /nfs/dbraw/zinc/28/95/57/590289557.db2.gz LYRQUPMUIGLJKE-UHFFFAOYSA-N 0 3 231.343 2.458 20 30 BEEDHN C#CCCCCCCNCc1ccn(C)n1 ZINC000877125270 590289839 /nfs/dbraw/zinc/28/98/39/590289839.db2.gz JJIHTBLQUWVJIR-UHFFFAOYSA-N 0 3 219.332 2.093 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@](C)(CC)C1CC1 ZINC000877146403 590292021 /nfs/dbraw/zinc/29/20/21/590292021.db2.gz SELHAGGWVWMKJY-CMPLNLGQSA-N 0 3 244.766 2.151 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@H](N)C(C)C ZINC000877303975 590310500 /nfs/dbraw/zinc/31/05/00/590310500.db2.gz QFRFOIICEGNKIL-LLVKDONJSA-N 0 3 226.364 2.078 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@H](N)CC(F)F ZINC000877303559 590310674 /nfs/dbraw/zinc/31/06/74/590310674.db2.gz KDFXAUGEPWWXAX-SECBINFHSA-N 0 3 248.317 2.078 20 30 BEEDHN C#CCCCCCCN(C)[C@@H](C)C[S@](C)=O ZINC000877326626 590318184 /nfs/dbraw/zinc/31/81/84/590318184.db2.gz ZWUGDQMQOZQAQQ-BBRMVZONSA-N 0 3 243.416 2.269 20 30 BEEDHN CCO[P@@](C)(=O)CC[C@H](C)NCCC#N ZINC000877483591 590328061 /nfs/dbraw/zinc/32/80/61/590328061.db2.gz OOYNHGOLDSGNFM-ZUZCIYMTSA-N 0 3 232.264 2.213 20 30 BEEDHN C#CCCCCCCN[C@H](C)c1ncnn1C ZINC000877468656 590334293 /nfs/dbraw/zinc/33/42/93/590334293.db2.gz MAWNNMGZCQHRFI-GFCCVEGCSA-N 0 3 234.347 2.049 20 30 BEEDHN C=CCCCNCc1ccc(Cl)nn1 ZINC000877490280 590340003 /nfs/dbraw/zinc/34/00/03/590340003.db2.gz VHTWWZNMJZBJQM-UHFFFAOYSA-N 0 3 211.696 2.186 20 30 BEEDHN CCO[P@](C)(=O)CC[C@@H](C)NCCC#N ZINC000877483588 590338137 /nfs/dbraw/zinc/33/81/37/590338137.db2.gz OOYNHGOLDSGNFM-BMIGLBTASA-N 0 3 232.264 2.213 20 30 BEEDHN C=CCCCNCc1cc(OC)cnc1F ZINC000877489057 590338861 /nfs/dbraw/zinc/33/88/61/590338861.db2.gz KMPVDLLQSUEKLU-UHFFFAOYSA-N 0 3 224.279 2.285 20 30 BEEDHN C#C[C@H](CC)NCc1cccc(Cl)c1N ZINC000877513221 590343594 /nfs/dbraw/zinc/34/35/94/590343594.db2.gz OLIRNHTWISZLLX-SNVBAGLBSA-N 0 3 222.719 2.424 20 30 BEEDHN C#C[C@@H](NC[C@@H](Cc1ccccc1)OC)C(C)C ZINC000877512919 590344041 /nfs/dbraw/zinc/34/40/41/590344041.db2.gz GBIGVYCQXUFURF-HZPDHXFCSA-N 0 3 245.366 2.492 20 30 BEEDHN C#C[C@@H](NC[C@@H]1CC1(Cl)Cl)C(C)C ZINC000877513051 590344146 /nfs/dbraw/zinc/34/41/46/590344146.db2.gz KEFIGUWPAZEXGR-DTWKUNHWSA-N 0 3 220.143 2.428 20 30 BEEDHN C#C[C@H](N[C@@H](C)Cc1cnccn1)C(C)(C)C ZINC000877535129 590350082 /nfs/dbraw/zinc/35/00/82/590350082.db2.gz WDKYMDYYFITFLC-AAEUAGOBSA-N 0 3 231.343 2.045 20 30 BEEDHN Cc1cccc(O)c1CN1CC(CC#N)C1 ZINC000877624280 590376703 /nfs/dbraw/zinc/37/67/03/590376703.db2.gz CZSOYBFGRPNEQN-UHFFFAOYSA-N 0 3 216.284 2.046 20 30 BEEDHN N#Cc1cnc(Cl)c(CN[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000877633720 590379144 /nfs/dbraw/zinc/37/91/44/590379144.db2.gz DUIVHJDGMREPKA-GDNZZTSVSA-N 0 3 247.729 2.495 20 30 BEEDHN Cc1nccnc1[C@@H](C)NC[C@@H](C)CCC#N ZINC000877828104 590429192 /nfs/dbraw/zinc/42/91/92/590429192.db2.gz GJOGGQPTTLYHCL-CMPLNLGQSA-N 0 3 232.331 2.376 20 30 BEEDHN CC1(N[C@H]2CC[C@@H](C#N)C2)CC(F)(F)C1 ZINC000877834865 590431667 /nfs/dbraw/zinc/43/16/67/590431667.db2.gz YUBCOOTUODHEJH-BDAKNGLRSA-N 0 3 214.259 2.456 20 30 BEEDHN C=CC[C@H](C)N1CCN(CC(C)C)CC1 ZINC000877894674 590442024 /nfs/dbraw/zinc/44/20/24/590442024.db2.gz VTLPEHZYMJOOSG-ZDUSSCGKSA-N 0 3 210.365 2.225 20 30 BEEDHN CC(C)[C@@H](O)CCN(C)Cc1cccc(C#N)c1 ZINC000877917327 590446600 /nfs/dbraw/zinc/44/66/00/590446600.db2.gz SWBBPQNRZVFBFC-HNNXBMFYSA-N 0 3 246.354 2.397 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N1CCC[C@H](CC)C1 ZINC000877927781 590448934 /nfs/dbraw/zinc/44/89/34/590448934.db2.gz DWARZSSVVQJAEM-RYUDHWBXSA-N 0 3 225.332 2.226 20 30 BEEDHN N#CCC1(CN2CCC(n3cccn3)CC2)CC1 ZINC000878090477 590490852 /nfs/dbraw/zinc/49/08/52/590490852.db2.gz WYURMCREQPSNBB-UHFFFAOYSA-N 0 3 244.342 2.214 20 30 BEEDHN C=CC(C)(C)CC(=O)NCCN1CCCCC1 ZINC000878235665 590527466 /nfs/dbraw/zinc/52/74/66/590527466.db2.gz STUQRQAWCMAMLV-UHFFFAOYSA-N 0 3 238.375 2.191 20 30 BEEDHN CC(C)[C@@H](C#N)N1CCN(CCCC2CC2)CC1 ZINC000878310818 590541350 /nfs/dbraw/zinc/54/13/50/590541350.db2.gz SGHZDSIICIKTMY-OAHLLOKOSA-N 0 3 249.402 2.342 20 30 BEEDHN C#CCCCCCN1CCOC2(CCC2)C1 ZINC000878330453 590547657 /nfs/dbraw/zinc/54/76/57/590547657.db2.gz GLNKKFAPEVKNOT-UHFFFAOYSA-N 0 3 221.344 2.435 20 30 BEEDHN C#CCN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CC1 ZINC000878434105 590567226 /nfs/dbraw/zinc/56/72/26/590567226.db2.gz HEHNYWITUPWKDM-FPMFFAJLSA-N 0 3 219.328 2.042 20 30 BEEDHN C#CCN(C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878501660 590580409 /nfs/dbraw/zinc/58/04/09/590580409.db2.gz RHKRVRRJQPRLEV-NSHDSACASA-N 0 3 209.333 2.145 20 30 BEEDHN C#CC(C)(C)N(C)C[C@@H]1CC2(CCC2)CO1 ZINC000878513614 590584876 /nfs/dbraw/zinc/58/48/76/590584876.db2.gz DNKLOJMKPHKWJX-LBPRGKRZSA-N 0 3 221.344 2.289 20 30 BEEDHN C#CC(C)(C)N(C)C[C@H]1CC2(CCC2)CO1 ZINC000878513613 590584966 /nfs/dbraw/zinc/58/49/66/590584966.db2.gz DNKLOJMKPHKWJX-GFCCVEGCSA-N 0 3 221.344 2.289 20 30 BEEDHN C#C[C@@H](C)N(C)C[C@H]1CCCC(C)(C)O1 ZINC000878517111 590585569 /nfs/dbraw/zinc/58/55/69/590585569.db2.gz NGJHLQIPZQLGIN-VXGBXAGGSA-N 0 3 209.333 2.288 20 30 BEEDHN C=CC[C@H](C)N1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000878661957 590604933 /nfs/dbraw/zinc/60/49/33/590604933.db2.gz KLOUREUASUOBJN-NWDGAFQWSA-N 0 3 240.347 2.114 20 30 BEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000878664358 590605117 /nfs/dbraw/zinc/60/51/17/590605117.db2.gz GBGGINQJTZOLSM-LBPRGKRZSA-N 0 3 238.375 2.141 20 30 BEEDHN C=CC[C@H](C)N1CCO[C@@H](C2CCC2)C1 ZINC000878708341 590613543 /nfs/dbraw/zinc/61/35/43/590613543.db2.gz OQWGXGXCTYJMNN-WCQYABFASA-N 0 3 209.333 2.452 20 30 BEEDHN C#CCCCCCN1CCCc2c(cnn2C)C1 ZINC000878708632 590614008 /nfs/dbraw/zinc/61/40/08/590614008.db2.gz UTUVGGBDXPPGDA-UHFFFAOYSA-N 0 3 245.370 2.362 20 30 BEEDHN C#CC1CCN(CCCOC(F)(F)F)CC1 ZINC000878765092 590619978 /nfs/dbraw/zinc/61/99/78/590619978.db2.gz WPWWZXQFKXXGCH-UHFFFAOYSA-N 0 3 235.249 2.258 20 30 BEEDHN CCCCCCN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000878773907 590620973 /nfs/dbraw/zinc/62/09/73/590620973.db2.gz LNIBINOMKULMDF-ZIAGYGMSSA-N 0 3 237.391 2.485 20 30 BEEDHN C=CC(C)(C)CC(=O)N[C@H](CN(C)C)C(C)C ZINC000878954252 590657372 /nfs/dbraw/zinc/65/73/72/590657372.db2.gz YPCVWBSSMDALLY-GFCCVEGCSA-N 0 3 240.391 2.291 20 30 BEEDHN CN(CCCCCCO)[C@@H]1CCC[C@H]1C#N ZINC000879308654 590734314 /nfs/dbraw/zinc/73/43/14/590734314.db2.gz QGDNWENCYOZZEM-QWHCGFSZSA-N 0 3 224.348 2.163 20 30 BEEDHN C#CCOc1cccc(Cl)c1CNCC ZINC000127648442 590738820 /nfs/dbraw/zinc/73/88/20/590738820.db2.gz AAMNXQJWQHRJEX-UHFFFAOYSA-N 0 3 223.703 2.462 20 30 BEEDHN CCC(=O)CCN(C)CCc1cccc(C#N)c1 ZINC000879433052 590767689 /nfs/dbraw/zinc/76/76/89/590767689.db2.gz ODHWZMHXEYUSBA-UHFFFAOYSA-N 0 3 244.338 2.402 20 30 BEEDHN C=CCN(C)CCc1cccc(C#N)c1 ZINC000879434355 590768364 /nfs/dbraw/zinc/76/83/64/590768364.db2.gz QCCDHTCZIOHBEM-UHFFFAOYSA-N 0 3 200.285 2.219 20 30 BEEDHN C=CCCN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879523446 590788022 /nfs/dbraw/zinc/78/80/22/590788022.db2.gz YFOOVOCQRQPSRS-HNNXBMFYSA-N 0 3 246.354 2.218 20 30 BEEDHN C=CC(C)(C)CC(=O)NCCN1CCC[C@@H]1C ZINC000879536113 590796955 /nfs/dbraw/zinc/79/69/55/590796955.db2.gz IBNMADJZAWRQEO-LBPRGKRZSA-N 0 3 238.375 2.189 20 30 BEEDHN C=C(Cl)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879557058 590798308 /nfs/dbraw/zinc/79/83/08/590798308.db2.gz MAVXYLMUSRSQMQ-ZJUUUORDSA-N 0 3 217.765 2.424 20 30 BEEDHN C#CCN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879666516 590844764 /nfs/dbraw/zinc/84/47/64/590844764.db2.gz BHEIIAKEHANJGU-RKDXNWHRSA-N 0 3 203.207 2.106 20 30 BEEDHN C=C(C)[C@@H](CO)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671773 590846058 /nfs/dbraw/zinc/84/60/58/590846058.db2.gz OPOKATBISXDEEK-GMTAPVOTSA-N 0 3 249.276 2.410 20 30 BEEDHN C=C(C)[C@H](CO)N1CC[C@](C)(C(F)(F)F)C1 ZINC000880002567 590907015 /nfs/dbraw/zinc/90/70/15/590907015.db2.gz 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C=CCN(CC)[C@@H](CO)c1ccccc1 ZINC000880459914 591051134 /nfs/dbraw/zinc/05/11/34/591051134.db2.gz LKOSDVMNRJMKOW-ZDUSSCGKSA-N 0 3 205.301 2.228 20 30 BEEDHN N#Cc1ccc(CN[C@@H]2CCC[C@]23CCCO3)o1 ZINC000880496936 591075740 /nfs/dbraw/zinc/07/57/40/591075740.db2.gz FNHDBNJYNGEYFU-KGLIPLIRSA-N 0 3 246.310 2.343 20 30 BEEDHN C#CCCN[C@@H](Cn1ccnc1)c1ccccc1 ZINC000880568786 591098803 /nfs/dbraw/zinc/09/88/03/591098803.db2.gz CQUFLRFTCSLDJL-HNNXBMFYSA-N 0 3 239.322 2.237 20 30 BEEDHN C=CC(C)(C)CC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000880664380 591121403 /nfs/dbraw/zinc/12/14/03/591121403.db2.gz FBXKAUVNKMXRKK-LBPRGKRZSA-N 0 3 238.375 2.141 20 30 BEEDHN C=CCNCc1cccc2c1CCOC2 ZINC000882879061 591460021 /nfs/dbraw/zinc/46/00/21/591460021.db2.gz FPZWGDUAMCAZPI-UHFFFAOYSA-N 0 3 203.285 2.035 20 30 BEEDHN C#CC[C@@H](CO)NCc1ccc(CCC)cc1 ZINC000883123500 591543519 /nfs/dbraw/zinc/54/35/19/591543519.db2.gz ZUBMWBGAPBGDPH-HNNXBMFYSA-N 0 3 231.339 2.113 20 30 BEEDHN C#CC[C@H](CO)NCc1cc2cc(F)ccc2o1 ZINC000883123641 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215.296 2.298 20 30 BEEDHN C#CCN(CCC(=O)Nc1ccccc1)C1CC1 ZINC000274242936 387465319 /nfs/dbraw/zinc/46/53/19/387465319.db2.gz YBFZEUDATPFTKV-UHFFFAOYSA-N 0 3 242.322 2.113 20 30 BEEDHN Cc1c(F)cccc1NC(=O)[C@H](N)CCCC#N ZINC000424083389 387481936 /nfs/dbraw/zinc/48/19/36/387481936.db2.gz AXTBQYHKODRMCE-LLVKDONJSA-N 0 3 249.289 2.094 20 30 BEEDHN C=CCCCCN[C@H](C(N)=O)c1ccccc1 ZINC000274540145 387482807 /nfs/dbraw/zinc/48/28/07/387482807.db2.gz UARXIEQPGUFRLA-ZDUSSCGKSA-N 0 3 232.327 2.159 20 30 BEEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCC[C@@H]1O ZINC000270220039 387590939 /nfs/dbraw/zinc/59/09/39/387590939.db2.gz YZVLNFAABWWRRS-CABCVRRESA-N 0 3 244.338 2.151 20 30 BEEDHN C#CCN[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000035055294 387553152 /nfs/dbraw/zinc/55/31/52/387553152.db2.gz INMXYACSAHJIAH-CQSZACIVSA-N 0 3 215.296 2.369 20 30 BEEDHN C=CCN(CC=C)C(=O)CN1CC[C@H]2CCC[C@@H]21 ZINC000426454949 387568558 /nfs/dbraw/zinc/56/85/58/387568558.db2.gz RELWMCRCICZAEI-KGLIPLIRSA-N 0 3 248.370 2.061 20 30 BEEDHN CCOC[C@@H](C)NCc1ccc(C#N)cc1 ZINC000044688865 387688620 /nfs/dbraw/zinc/68/86/20/387688620.db2.gz LPNJXXMVMXSUOJ-LLVKDONJSA-N 0 3 218.300 2.073 20 30 BEEDHN C[C@@H](CN(C)C)Nc1c(F)cc(C#N)cc1F ZINC000168796743 387733739 /nfs/dbraw/zinc/73/37/39/387733739.db2.gz LVPDBMFDWIFVSO-QMMMGPOBSA-N 0 3 239.269 2.198 20 30 BEEDHN C=CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000422915171 387774032 /nfs/dbraw/zinc/77/40/32/387774032.db2.gz XKUIHNANDWICDW-LBPRGKRZSA-N 0 3 232.327 2.015 20 30 BEEDHN Cn1cc(CNCCC(C)(F)F)cc1C#N ZINC000294326866 387784203 /nfs/dbraw/zinc/78/42/03/387784203.db2.gz XHHGUEWIULGQPP-UHFFFAOYSA-N 0 3 227.258 2.032 20 30 BEEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000035735874 387807002 /nfs/dbraw/zinc/80/70/02/387807002.db2.gz FVQMHBUOXCRIID-QMTHXVAHSA-N 0 3 248.301 2.354 20 30 BEEDHN CO[C@@H](C)CN(C)Cc1ccc(C#N)c(C)c1 ZINC000353223519 387759937 /nfs/dbraw/zinc/75/99/37/387759937.db2.gz WSOWRVHIYPWRLP-LBPRGKRZSA-N 0 3 232.327 2.333 20 30 BEEDHN 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C=C(C)CCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000452719891 387897463 /nfs/dbraw/zinc/89/74/63/387897463.db2.gz UTYTVJSXRPGSLX-CYBMUJFWSA-N 0 3 238.375 2.333 20 30 BEEDHN CC(C)Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424209062 387930263 /nfs/dbraw/zinc/93/02/63/387930263.db2.gz YZIJNBFLBDGZNC-GXTWGEPZSA-N 0 3 246.358 2.321 20 30 BEEDHN Cc1cc(F)cc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424199689 387927371 /nfs/dbraw/zinc/92/73/71/387927371.db2.gz ZFMMMUGJCBECPX-LBPRGKRZSA-N 0 3 249.289 2.094 20 30 BEEDHN C=C(C)CCN[C@@H](C)c1cnccc1N ZINC000423158862 387938038 /nfs/dbraw/zinc/93/80/38/387938038.db2.gz XFMHGDCORDUZCS-JTQLQIEISA-N 0 3 205.305 2.111 20 30 BEEDHN CC(C)[C@H](CC(F)(F)F)NC(=O)C(C)C#N ZINC000438600303 387947101 /nfs/dbraw/zinc/94/71/01/387947101.db2.gz TWQMJDWOGHUFBW-SFYZADRCSA-N 0 3 236.237 2.239 20 30 BEEDHN CC(C)[C@@H](CC(F)(F)F)NC(=O)C(C)C#N ZINC000438600299 387947642 /nfs/dbraw/zinc/94/76/42/387947642.db2.gz TWQMJDWOGHUFBW-HTQZYQBOSA-N 0 3 236.237 2.239 20 30 BEEDHN 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C[C@H](NCC(C)(C)CC#N)c1cnccc1N ZINC000423170480 387956765 /nfs/dbraw/zinc/95/67/65/387956765.db2.gz MEACXMVABMZHFP-JTQLQIEISA-N 0 3 232.331 2.085 20 30 BEEDHN CC(C#N)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC000252173797 135085368 /nfs/dbraw/zinc/08/53/68/135085368.db2.gz ONQFIVVFBOJHKP-MXWKQRLJSA-N 0 3 208.305 2.089 20 30 BEEDHN C=C(C)CNC(=O)Nc1cc(C)cc(CN)c1 ZINC000424417992 388006286 /nfs/dbraw/zinc/00/62/86/388006286.db2.gz AMPQDCPBVJKUSE-UHFFFAOYSA-N 0 3 233.315 2.151 20 30 BEEDHN C#CCN1CCC(N(C)c2ccccc2)CC1 ZINC000065957211 388010197 /nfs/dbraw/zinc/01/01/97/388010197.db2.gz FMDPNVFACVWWJX-UHFFFAOYSA-N 0 3 228.339 2.220 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1nccnc1C ZINC000453355241 388057386 /nfs/dbraw/zinc/05/73/86/388057386.db2.gz NTJCWFDQNKGZHV-UPJWGTAASA-N 0 3 247.342 2.169 20 30 BEEDHN C=CCC[C@H](CO)N[C@H](C)c1cnccc1C ZINC000453371805 388062980 /nfs/dbraw/zinc/06/29/80/388062980.db2.gz UYVIVQBRBHQYPT-CHWSQXEVSA-N 0 3 234.343 2.368 20 30 BEEDHN CC#CCN(C)[C@H]1CCCC[C@@H]1N(C)CC#CC ZINC000464488291 388100132 /nfs/dbraw/zinc/10/01/32/388100132.db2.gz SPCXFSHKAGSZCK-HOTGVXAUSA-N 0 3 246.398 2.208 20 30 BEEDHN C=C[C@@H](C)NCc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449189702 388155518 /nfs/dbraw/zinc/15/55/18/388155518.db2.gz MWMDMQSNZRSORQ-SECBINFHSA-N 0 3 236.315 2.164 20 30 BEEDHN CC#CCCNCc1cc2cccnc2o1 ZINC000449221328 388159157 /nfs/dbraw/zinc/15/91/57/388159157.db2.gz AGYBJZNBWGCMBV-UHFFFAOYSA-N 0 3 214.268 2.331 20 30 BEEDHN C=CCNCc1ccnn1C1CCCC1 ZINC000449268993 388164351 /nfs/dbraw/zinc/16/43/51/388164351.db2.gz KZZJNSAKRIKFRD-UHFFFAOYSA-N 0 3 205.305 2.274 20 30 BEEDHN C=CCCCC[C@@H](C)NCc1nnc2n1CCC2 ZINC000449071229 388139188 /nfs/dbraw/zinc/13/91/88/388139188.db2.gz GSSDOZBJFNUASW-GFCCVEGCSA-N 0 3 248.374 2.449 20 30 BEEDHN N#Cc1csc(CN[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316413 388258063 /nfs/dbraw/zinc/25/80/63/388258063.db2.gz LTBPDCPWRRMFGW-CHWSQXEVSA-N 0 3 248.351 2.277 20 30 BEEDHN C#CCN(Cc1cnn(C)c1C)C1CCCCC1 ZINC000490898483 388258934 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BASUEETWYNTSEL-MNOVXSKESA-N 0 3 238.356 2.139 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C)s1 ZINC000449523086 388221932 /nfs/dbraw/zinc/22/19/32/388221932.db2.gz WMLFDHWXWQYJOR-NEPJUHHUSA-N 0 3 223.341 2.490 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000449520142 388222614 /nfs/dbraw/zinc/22/26/14/388222614.db2.gz OIVPRWUSDCVMNG-OLZOCXBDSA-N 0 3 248.282 2.028 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)ccn1 ZINC000449522585 388223148 /nfs/dbraw/zinc/22/31/48/388223148.db2.gz VOFXHSPYNPPWAZ-SCRDCRAPSA-N 0 3 232.327 2.384 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000449523097 388223233 /nfs/dbraw/zinc/22/32/33/388223233.db2.gz WNUHKLPHYUNHST-OLZOCXBDSA-N 0 3 248.282 2.028 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C)c(OC)c1 ZINC000449521585 388223770 /nfs/dbraw/zinc/22/37/70/388223770.db2.gz SJSVMNJGNVHCCU-KGLIPLIRSA-N 0 3 247.338 2.437 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccccc1 ZINC000449523793 388224542 /nfs/dbraw/zinc/22/45/42/388224542.db2.gz 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3 203.260 2.378 20 30 BEEDHN C#CCN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000157176992 166190971 /nfs/dbraw/zinc/19/09/71/166190971.db2.gz XBJDONRHCOCPMX-LBPRGKRZSA-N 0 3 231.295 2.132 20 30 BEEDHN C#CCOc1ccc(CN[C@@H](C)[C@@H](C)OC)cc1 ZINC000189099774 166198525 /nfs/dbraw/zinc/19/85/25/166198525.db2.gz OYCUMFKNDRUUSS-QWHCGFSZSA-N 0 3 247.338 2.212 20 30 BEEDHN C#CC[C@@H](NCCOCCOC)c1ccccc1 ZINC000271749388 166205232 /nfs/dbraw/zinc/20/52/32/166205232.db2.gz XEYFOPLPRTVBAY-OAHLLOKOSA-N 0 3 247.338 2.004 20 30 BEEDHN C#CC[C@@H](NCCOCC)c1ccccc1 ZINC000271704831 166205826 /nfs/dbraw/zinc/20/58/26/166205826.db2.gz NFSWVVNVDXTYEL-CQSZACIVSA-N 0 3 217.312 2.377 20 30 BEEDHN C=CCCCN(C)Cc1ccc(OC)nc1 ZINC000085820599 166233309 /nfs/dbraw/zinc/23/33/09/166233309.db2.gz BKIVRSMMXCTUDE-UHFFFAOYSA-N 0 3 220.316 2.488 20 30 BEEDHN C=CCCCN1CCCCC[C@H]1C(=O)OC ZINC000364694440 166234093 /nfs/dbraw/zinc/23/40/93/166234093.db2.gz GRDPRWFMLXDGLJ-LBPRGKRZSA-N 0 3 225.332 2.370 20 30 BEEDHN C=CCCCNCc1c(Cl)cnn1C ZINC000279235240 166241553 /nfs/dbraw/zinc/24/15/53/166241553.db2.gz ZCRJHDBVWHYEKE-UHFFFAOYSA-N 0 3 213.712 2.129 20 30 BEEDHN C=CCCC[NH2+]Cc1nc(C)ccc1[O-] ZINC000279044992 166242334 /nfs/dbraw/zinc/24/23/34/166242334.db2.gz CXBOMFOEBXHSHF-UHFFFAOYSA-N 0 3 206.289 2.151 20 30 BEEDHN C=CCCN(C)CCNC(=O)OC(C)(C)C ZINC000276470844 166255684 /nfs/dbraw/zinc/25/56/84/166255684.db2.gz RRSCTVHHDKRHNG-UHFFFAOYSA-N 0 3 228.336 2.019 20 30 BEEDHN C=CCC[N@@H+](C)Cc1nc(C)ccc1[O-] ZINC000276076037 166258321 /nfs/dbraw/zinc/25/83/21/166258321.db2.gz APAAJTPMXSLHGC-UHFFFAOYSA-N 0 3 206.289 2.104 20 30 BEEDHN C=CCC[N@H+](C)Cc1nc(C)ccc1[O-] ZINC000276076037 166258323 /nfs/dbraw/zinc/25/83/23/166258323.db2.gz APAAJTPMXSLHGC-UHFFFAOYSA-N 0 3 206.289 2.104 20 30 BEEDHN C=CCCN(C)[C@@H]1CCc2ccccc2NC1=O ZINC000277063406 166259660 /nfs/dbraw/zinc/25/96/60/166259660.db2.gz WEVHSJFVXVMRER-CQSZACIVSA-N 0 3 244.338 2.448 20 30 BEEDHN C=CCC[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000276136724 166259998 /nfs/dbraw/zinc/25/99/98/166259998.db2.gz MQZMIGMGOGKWNF-UHFFFAOYSA-N 0 3 221.300 2.409 20 30 BEEDHN C=CCC[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000276136724 166260001 /nfs/dbraw/zinc/26/00/01/166260001.db2.gz MQZMIGMGOGKWNF-UHFFFAOYSA-N 0 3 221.300 2.409 20 30 BEEDHN C=CCCOCCN[C@@H](C)c1ccncc1 ZINC000155625609 166270690 /nfs/dbraw/zinc/27/06/90/166270690.db2.gz NLIOHHAMYWAYOV-LBPRGKRZSA-N 0 3 220.316 2.325 20 30 BEEDHN C=CCC[C@@H](CC)NCc1nccn1C ZINC000167250933 166296233 /nfs/dbraw/zinc/29/62/33/166296233.db2.gz FHYKICWDARWPCD-LLVKDONJSA-N 0 3 207.321 2.255 20 30 BEEDHN C=CCC[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000268640768 166304087 /nfs/dbraw/zinc/30/40/87/166304087.db2.gz MOAAAQVJJVRSJO-HNNXBMFYSA-N 0 3 244.338 2.317 20 30 BEEDHN C=CCN(C)Cc1ccc2c[nH]nc2c1 ZINC000275114049 166322699 /nfs/dbraw/zinc/32/26/99/166322699.db2.gz DWBJWJORPUWMFD-UHFFFAOYSA-N 0 3 201.273 2.181 20 30 BEEDHN C=CCN(C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000171956759 166325032 /nfs/dbraw/zinc/32/50/32/166325032.db2.gz XHJHSMKVBYHECI-JTQLQIEISA-N 0 3 228.336 2.017 20 30 BEEDHN C=CCN(CCCCO)Cc1ccc(OC)cc1 ZINC000170871541 166342270 /nfs/dbraw/zinc/34/22/70/166342270.db2.gz CDESXAZXZUSVCY-UHFFFAOYSA-N 0 3 249.354 2.456 20 30 BEEDHN C=CCN(CCc1ccco1)CC(C)(C)O ZINC000272270818 166344020 /nfs/dbraw/zinc/34/40/20/166344020.db2.gz LMPJFYYHXQESKU-UHFFFAOYSA-N 0 3 223.316 2.081 20 30 BEEDHN C=CCN(Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000271366148 166345473 /nfs/dbraw/zinc/34/54/73/166345473.db2.gz ZEPGGPYWUXZNEF-UHFFFAOYSA-N 0 3 247.294 2.271 20 30 BEEDHN C=CCN(Cc1ccccc1)C[C@H](O)COCC ZINC000264981486 166345891 /nfs/dbraw/zinc/34/58/91/166345891.db2.gz KVPMSBGDWNVOJB-HNNXBMFYSA-N 0 3 249.354 2.072 20 30 BEEDHN C=CCN1CCC(NC(=O)C2=CCCCC2)CC1 ZINC000275642262 166352699 /nfs/dbraw/zinc/35/26/99/166352699.db2.gz BNHODYSCINIPGS-UHFFFAOYSA-N 0 3 248.370 2.253 20 30 BEEDHN C=CCN1CCC(Nc2ccc(C#N)nc2)CC1 ZINC000267415969 166352794 /nfs/dbraw/zinc/35/27/94/166352794.db2.gz SSYRNLRDMOVAML-UHFFFAOYSA-N 0 3 242.326 2.016 20 30 BEEDHN C=CCNC(=O)Nc1ccccc1CCN(C)C ZINC000275736298 166382770 /nfs/dbraw/zinc/38/27/70/166382770.db2.gz YBZUIUFMMHIYKJ-UHFFFAOYSA-N 0 3 247.342 2.098 20 30 BEEDHN CC(C)OCCN(C)Cc1cccc(C#N)c1 ZINC000046518240 167228497 /nfs/dbraw/zinc/22/84/97/167228497.db2.gz AHANECJLLYIXAE-UHFFFAOYSA-N 0 3 232.327 2.415 20 30 BEEDHN CN(C[C@H]1CCCN1C)c1ccc(C#N)cc1F ZINC000092631201 410993566 /nfs/dbraw/zinc/99/35/66/410993566.db2.gz YBUXHQNZQDOQNG-GFCCVEGCSA-N 0 3 247.317 2.228 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnc(C)s1 ZINC000651433369 411025735 /nfs/dbraw/zinc/02/57/35/411025735.db2.gz STVZRKSWMQKMOY-GDPRMGEGSA-N 0 3 238.356 2.446 20 30 BEEDHN C=CC[C@H]1CC[C@H](NCc2cc[nH]n2)C1 ZINC000651671721 411134830 /nfs/dbraw/zinc/13/48/30/411134830.db2.gz BLMZESIVAONSSD-QWRGUYRKSA-N 0 3 205.305 2.244 20 30 BEEDHN C=CC[C@@H](C)NCc1cnnn1-c1ccccc1 ZINC000651713105 411138096 /nfs/dbraw/zinc/13/80/96/411138096.db2.gz CHNXFFYUJAZCIV-GFCCVEGCSA-N 0 3 242.326 2.322 20 30 BEEDHN C=CC[C@@H]1CC[C@H](NCc2ncnn2CC)C1 ZINC000651791312 411143967 /nfs/dbraw/zinc/14/39/67/411143967.db2.gz QBMATVWLLYYMMF-NEPJUHHUSA-N 0 3 234.347 2.132 20 30 BEEDHN C=CC[C@H]1CC[C@@H](NCc2ncnn2CC)C1 ZINC000651791313 411144127 /nfs/dbraw/zinc/14/41/27/411144127.db2.gz QBMATVWLLYYMMF-NWDGAFQWSA-N 0 3 234.347 2.132 20 30 BEEDHN C=CC[C@H]1CC[C@H](NCc2nnc(CC)[nH]2)C1 ZINC000651818471 411145437 /nfs/dbraw/zinc/14/54/37/411145437.db2.gz USUFXAWQMBODBE-QWRGUYRKSA-N 0 3 234.347 2.202 20 30 BEEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2nnc(CC)[n-]2)C1 ZINC000651818471 411145438 /nfs/dbraw/zinc/14/54/38/411145438.db2.gz USUFXAWQMBODBE-QWRGUYRKSA-N 0 3 234.347 2.202 20 30 BEEDHN CN(C)CCNc1cccc(Cl)c1C#N ZINC000048935338 411221073 /nfs/dbraw/zinc/22/10/73/411221073.db2.gz OOGJTTOXEDTKAR-UHFFFAOYSA-N 0 3 223.707 2.185 20 30 BEEDHN C=C(CC)Cn1cc(CCN2CCCCC2)nn1 ZINC000656452828 411275153 /nfs/dbraw/zinc/27/51/53/411275153.db2.gz ALNZVJITSBVYRT-UHFFFAOYSA-N 0 3 248.374 2.273 20 30 BEEDHN C=CCOCCCN[C@@H](C)c1cncnc1C ZINC000658206608 411293655 /nfs/dbraw/zinc/29/36/55/411293655.db2.gz PAQSCQRNRAVFIQ-NSHDSACASA-N 0 3 235.331 2.028 20 30 BEEDHN C=CCOCCCN[C@H](CC)c1nccn1C ZINC000658211043 411295031 /nfs/dbraw/zinc/29/50/31/411295031.db2.gz ZTPZFBCYWXEQQO-GFCCVEGCSA-N 0 3 237.347 2.054 20 30 BEEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000658933130 411362312 /nfs/dbraw/zinc/36/23/12/411362312.db2.gz ZMWPQRUICYYDSJ-AVGNSLFASA-N 0 3 238.375 2.221 20 30 BEEDHN C=CCCC1(CNC(=O)C2(N)CC2)CCCC1 ZINC000659334417 411363039 /nfs/dbraw/zinc/36/30/39/411363039.db2.gz KNOKVSHNTIYEAN-UHFFFAOYSA-N 0 3 236.359 2.121 20 30 BEEDHN C=CCCNC(=O)Nc1cccc(CNC)c1 ZINC000659020350 411366425 /nfs/dbraw/zinc/36/64/25/411366425.db2.gz ZMZIBQWNKBSAMD-UHFFFAOYSA-N 0 3 233.315 2.104 20 30 BEEDHN CC1(CCNCc2nc(C#N)cs2)CC1 ZINC000336675326 168020821 /nfs/dbraw/zinc/02/08/21/168020821.db2.gz AIKLMVNKOCNCAM-UHFFFAOYSA-N 0 3 221.329 2.295 20 30 BEEDHN C=CC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000659918469 411381400 /nfs/dbraw/zinc/38/14/00/411381400.db2.gz WUPCYYOYROCMHY-NSHDSACASA-N 0 3 231.286 2.309 20 30 BEEDHN CC1CCN(CCNc2ncccc2C#N)CC1 ZINC000040444319 168180689 /nfs/dbraw/zinc/18/06/89/168180689.db2.gz IWMPTZFEPDWEFD-UHFFFAOYSA-N 0 3 244.342 2.097 20 30 BEEDHN CC1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000034673827 168182294 /nfs/dbraw/zinc/18/22/94/168182294.db2.gz XROZLCZVCDXMGF-OAHLLOKOSA-N 0 3 244.338 2.324 20 30 BEEDHN C=CCCn1cc(CNCCC(C)(C)C)nn1 ZINC000657301199 411455913 /nfs/dbraw/zinc/45/59/13/411455913.db2.gz VOHXLKXWMAZLGZ-UHFFFAOYSA-N 0 3 236.363 2.380 20 30 BEEDHN C=CCCn1cc(CN[C@H](C)CCC)nn1 ZINC000657285200 411442747 /nfs/dbraw/zinc/44/27/47/411442747.db2.gz YQVWZNSVGPUXTN-LLVKDONJSA-N 0 3 222.336 2.132 20 30 BEEDHN C=CCCn1cc(CN[C@]2(C)CC=CCC2)nn1 ZINC000657489912 411532699 /nfs/dbraw/zinc/53/26/99/411532699.db2.gz BOASVSILSHOOKB-CQSZACIVSA-N 0 3 246.358 2.443 20 30 BEEDHN C=CC[C@@H](C)NCc1ccnn1CC1CC1 ZINC000657364190 411481286 /nfs/dbraw/zinc/48/12/86/411481286.db2.gz WBTXSTIPNBQRLT-LLVKDONJSA-N 0 3 219.332 2.347 20 30 BEEDHN C=CC[C@H](CC)NCc1cn(C2CCC2)nn1 ZINC000657456615 411516445 /nfs/dbraw/zinc/51/64/45/411516445.db2.gz UQTDPKXOPYQEGR-NSHDSACASA-N 0 3 234.347 2.447 20 30 BEEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@@H]2C)nn1 ZINC000657456784 411517604 /nfs/dbraw/zinc/51/76/04/411517604.db2.gz XBXHYIQTMSZWHJ-STQMWFEESA-N 0 3 248.374 2.380 20 30 BEEDHN C=C(CC)CNCc1cc(C(F)(F)F)nn1C ZINC000657483785 411528872 /nfs/dbraw/zinc/52/88/72/411528872.db2.gz CBLDEAGTRKYJLT-UHFFFAOYSA-N 0 3 247.264 2.495 20 30 BEEDHN C=CCC1(NCc2nccn2CC)CCOCC1 ZINC000657633360 411566908 /nfs/dbraw/zinc/56/69/08/411566908.db2.gz MRYDMTQLIQISQK-UHFFFAOYSA-N 0 3 249.358 2.118 20 30 BEEDHN C=CCCn1cc(CNCC[C@@H](C)CC)nn1 ZINC000657585413 411557251 /nfs/dbraw/zinc/55/72/51/411557251.db2.gz ADICHQQLWDPRNP-LBPRGKRZSA-N 0 3 236.363 2.380 20 30 BEEDHN C=CCOCCCNCc1cccc2c1OCO2 ZINC000657658005 411571981 /nfs/dbraw/zinc/57/19/81/411571981.db2.gz HZFIPWKXQHRBGW-UHFFFAOYSA-N 0 3 249.310 2.098 20 30 BEEDHN C=CCOCCCNCc1ccnn1C(C)C ZINC000657659244 411572738 /nfs/dbraw/zinc/57/27/38/411572738.db2.gz UFAMEWRCUQYHKK-UHFFFAOYSA-N 0 3 237.347 2.146 20 30 BEEDHN C=CCOCCCNCc1nccn1C(C)C ZINC000657659305 411572762 /nfs/dbraw/zinc/57/27/62/411572762.db2.gz WAFHEYXHFLNFGA-UHFFFAOYSA-N 0 3 237.347 2.146 20 30 BEEDHN C=CCCC(C)(C)NCc1cnnn1CC ZINC000657806359 411600979 /nfs/dbraw/zinc/60/09/79/411600979.db2.gz MJGNRQXQGPPULS-UHFFFAOYSA-N 0 3 222.336 2.132 20 30 BEEDHN CC#CCN(C)C[C@H](OC)C1CCCC1 ZINC000660643840 411611077 /nfs/dbraw/zinc/61/10/77/411611077.db2.gz DPJWWGFZYFQIHU-ZDUSSCGKSA-N 0 3 209.333 2.147 20 30 BEEDHN C=CCN(CCc1cccc(C)n1)[C@H](C)COC ZINC000661238790 411739573 /nfs/dbraw/zinc/73/95/73/411739573.db2.gz FPKQWRKSRZYMJC-CQSZACIVSA-N 0 3 248.370 2.455 20 30 BEEDHN C=CCN(CCc1ccco1)[C@H]1CCCOC1 ZINC000663701538 411725541 /nfs/dbraw/zinc/72/55/41/411725541.db2.gz JLGIFNDSABURPF-ZDUSSCGKSA-N 0 3 235.327 2.489 20 30 BEEDHN C=CCN(CC(=O)NC1CCCC1)C(C)(C)C ZINC000661755320 411866713 /nfs/dbraw/zinc/86/67/13/411866713.db2.gz OGNSYFQHIUTQSI-UHFFFAOYSA-N 0 3 238.375 2.332 20 30 BEEDHN C=CCN(CCn1ccccc1=O)C(C)(C)C ZINC000661756236 411867325 /nfs/dbraw/zinc/86/73/25/411867325.db2.gz HAEHMRSDOIEQSS-UHFFFAOYSA-N 0 3 234.343 2.135 20 30 BEEDHN CC#CCN1CC[C@H](N(C)c2ccccc2)C1 ZINC000662021326 411943015 /nfs/dbraw/zinc/94/30/15/411943015.db2.gz OCNWKPKZMIYCMU-HNNXBMFYSA-N 0 3 228.339 2.220 20 30 BEEDHN CC#CCCN1CC2(CCCC2)OC[C@@H]1C ZINC000661981079 411933492 /nfs/dbraw/zinc/93/34/92/411933492.db2.gz MIQVJQMLOFDLNK-ZDUSSCGKSA-N 0 3 221.344 2.433 20 30 BEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H](C)CC ZINC000662081542 411979777 /nfs/dbraw/zinc/97/97/77/411979777.db2.gz UPTFRRYNFGFZPL-UPJWGTAASA-N 0 3 236.359 2.084 20 30 BEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)CC1CC1 ZINC000662084657 411981087 /nfs/dbraw/zinc/98/10/87/411981087.db2.gz UUPXGZRAXIGDGZ-OKILXGFUSA-N 0 3 248.370 2.038 20 30 BEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCCC ZINC000662082729 411981763 /nfs/dbraw/zinc/98/17/63/411981763.db2.gz 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240.734 2.152 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000883400777 591647833 /nfs/dbraw/zinc/64/78/33/591647833.db2.gz VDGBCVMPTOEKTK-CYBMUJFWSA-N 0 3 248.301 2.114 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1cc(F)ccc1F ZINC000883401213 591648705 /nfs/dbraw/zinc/64/87/05/591648705.db2.gz GPNJWEAHPOAIAJ-GFCCVEGCSA-N 0 3 241.281 2.382 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1ccc(F)c(F)c1 ZINC000883401650 591648716 /nfs/dbraw/zinc/64/87/16/591648716.db2.gz UDVLWSJMBINSNT-LLVKDONJSA-N 0 3 241.281 2.382 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1ccccc1OC ZINC000883401333 591648929 /nfs/dbraw/zinc/64/89/29/591648929.db2.gz KHCFBLCVEWWQPY-CYBMUJFWSA-N 0 3 235.327 2.112 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1cccc(F)c1 ZINC000883401454 591649070 /nfs/dbraw/zinc/64/90/70/591649070.db2.gz NJNDMDMINSOXGW-CYBMUJFWSA-N 0 3 223.291 2.242 20 30 BEEDHN C#CCN[C@H]1C[C@H](OCCCC)C1(C)C ZINC000132682251 591730772 /nfs/dbraw/zinc/73/07/72/591730772.db2.gz IBLHPRLRKXZZNK-RYUDHWBXSA-N 0 3 209.333 2.193 20 30 BEEDHN C#CCN[C@@H]1C[C@H](OCC)C1(CC)CC ZINC000132680874 591731140 /nfs/dbraw/zinc/73/11/40/591731140.db2.gz NFXUWTSZBFVIJM-NEPJUHHUSA-N 0 3 209.333 2.193 20 30 BEEDHN C=CCCCCCN(C)C(=O)[C@H](N)CC1CC1 ZINC000884143461 591860564 /nfs/dbraw/zinc/86/05/64/591860564.db2.gz IJOPJNYSVNMSFU-CYBMUJFWSA-N 0 3 238.375 2.319 20 30 BEEDHN COCC(C)(C)NCc1ccc(OCC#N)cc1 ZINC000134622280 591942115 /nfs/dbraw/zinc/94/21/15/591942115.db2.gz RJGZFPXCIUQANQ-UHFFFAOYSA-N 0 3 248.326 2.104 20 30 BEEDHN C=CCSCCNCc1[nH]nc(C)c1C ZINC000885968942 592117546 /nfs/dbraw/zinc/11/75/46/592117546.db2.gz FNESPYXEFALYGR-UHFFFAOYSA-N 0 3 225.361 2.035 20 30 BEEDHN CC(C)CN(CCC#N)C[C@@H]1C[C@]12CCOC2 ZINC000886017138 592131793 /nfs/dbraw/zinc/13/17/93/592131793.db2.gz SMEYYGFPYQJVFW-KBPBESRZSA-N 0 3 236.359 2.285 20 30 BEEDHN C=CCN(CCOC)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886168448 592168173 /nfs/dbraw/zinc/16/81/73/592168173.db2.gz QZXZXSMPVONKKI-UONOGXRCSA-N 0 3 239.359 2.078 20 30 BEEDHN C#CC[C@@H](COC)NC/C=C/c1cccc(F)c1 ZINC000886173426 592169207 /nfs/dbraw/zinc/16/92/07/592169207.db2.gz OZTZUAZYHFGNTD-PXTSUWAFSA-N 0 3 247.313 2.467 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1cc(C)co1 ZINC000886190257 592173340 /nfs/dbraw/zinc/17/33/40/592173340.db2.gz IRANLJDYAHWKKC-LLVKDONJSA-N 0 3 209.289 2.005 20 30 BEEDHN CN(C[C@@H]1C[C@]12CCOC2)[C@@H]1CCC[C@@H]1C#N ZINC000886307183 592204570 /nfs/dbraw/zinc/20/45/70/592204570.db2.gz LMBTWYZVMMJCRN-RQJABVFESA-N 0 3 234.343 2.037 20 30 BEEDHN C#CC[C@@H]1CCN(C[C@H](O)c2ccccc2F)C1 ZINC000886356226 592215846 /nfs/dbraw/zinc/21/58/46/592215846.db2.gz WKNAYAFAZIJGST-DOMZBBRYSA-N 0 3 247.313 2.204 20 30 BEEDHN C#CC[C@@H]1CCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000886365255 592219069 /nfs/dbraw/zinc/21/90/69/592219069.db2.gz DQOLLRRKHPUZFF-QWHCGFSZSA-N 0 3 229.327 2.191 20 30 BEEDHN C#CC[C@H]1CCN([C@H](C)c2cnc(C)cn2)C1 ZINC000886365254 592219095 /nfs/dbraw/zinc/21/90/95/592219095.db2.gz DQOLLRRKHPUZFF-OLZOCXBDSA-N 0 3 229.327 2.191 20 30 BEEDHN C#CCC1(NCc2ccoc2C)CCOCC1 ZINC000886378822 592221664 /nfs/dbraw/zinc/22/16/64/592221664.db2.gz CFTFMVFONAJZDW-UHFFFAOYSA-N 0 3 233.311 2.250 20 30 BEEDHN C=CCOCCN(C)[C@H](CO)c1ccccc1C ZINC000886442075 592225735 /nfs/dbraw/zinc/22/57/35/592225735.db2.gz OPKUHHNPNONKPL-OAHLLOKOSA-N 0 3 249.354 2.163 20 30 BEEDHN C=CCCCCCN1CCCn2nncc2C1 ZINC000886464846 592229092 /nfs/dbraw/zinc/22/90/92/592229092.db2.gz JWVJHXYQLRIJFW-UHFFFAOYSA-N 0 3 234.347 2.230 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2cccnc21 ZINC000886619253 592278221 /nfs/dbraw/zinc/27/82/21/592278221.db2.gz XSWXQINLORSQLW-AGIUHOORSA-N 0 3 230.311 2.002 20 30 BEEDHN N#CCCCCN1CCC[C@H](c2ncccn2)C1 ZINC000886678415 592300322 /nfs/dbraw/zinc/30/03/22/592300322.db2.gz CUYOFEJXOKLUKS-ZDUSSCGKSA-N 0 3 244.342 2.350 20 30 BEEDHN C=CCC[C@@H](C)[NH2+]Cc1nnc(CSC)[n-]1 ZINC000886757286 592318992 /nfs/dbraw/zinc/31/89/92/592318992.db2.gz BQDIPOPGBINXOE-SECBINFHSA-N 0 3 240.376 2.112 20 30 BEEDHN C#CCC1(NCC=C(Cl)Cl)CCOCC1 ZINC000887121053 592446181 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247.342 2.070 20 30 BEEDHN Fc1ccc(CON=C2CN3CCC2CC3)cc1 ZINC000758144717 585350828 /nfs/dbraw/zinc/35/08/28/585350828.db2.gz PHCCKDXARAVSJK-UHFFFAOYSA-N 0 3 248.301 2.424 20 30 BEEDHN C[C@H]1C[C@@H]1C=Nn1cnnc1-c1ccccc1 ZINC000758374247 585355314 /nfs/dbraw/zinc/35/53/14/585355314.db2.gz PRTMONRNGHKGBH-CMPLNLGQSA-N 0 3 226.283 2.435 20 30 BEEDHN C#CCCCCNC(=O)[C@@H](CC)N(CC)CC ZINC000758636462 585357784 /nfs/dbraw/zinc/35/77/84/585357784.db2.gz JZKJDQYQGCPPHB-CYBMUJFWSA-N 0 3 238.375 2.027 20 30 BEEDHN CCCCCCCCN(C)[C@@H]1CCNC1=O ZINC000759435533 585373117 /nfs/dbraw/zinc/37/31/17/585373117.db2.gz IHENWLMVAJSGFG-GFCCVEGCSA-N 0 3 226.364 2.167 20 30 BEEDHN C#CCCN1CCC[C@H]1c1cc(C)no1 ZINC000760819758 585398076 /nfs/dbraw/zinc/39/80/76/585398076.db2.gz VSHLDLQOKFXSOY-NSHDSACASA-N 0 3 204.273 2.143 20 30 BEEDHN C#CCCN(CCOC)Cc1ccccc1C ZINC000760817819 585398095 /nfs/dbraw/zinc/39/80/95/585398095.db2.gz BVNPZJJIHPIWDD-UHFFFAOYSA-N 0 3 231.339 2.467 20 30 BEEDHN C#CCCN[C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000760859992 585400157 /nfs/dbraw/zinc/40/01/57/585400157.db2.gz JYRIINHZCMEKNO-TZMCWYRMSA-N 0 3 245.322 2.150 20 30 BEEDHN Cc1cc(C(C#N)C(=O)C2=CCCC2)nc(C)n1 ZINC000761027940 585403651 /nfs/dbraw/zinc/40/36/51/585403651.db2.gz WVKHORNPMSYYAN-GFCCVEGCSA-N 0 3 241.294 2.380 20 30 BEEDHN Cc1cc(C(C#N)C(=O)C2=CCCC2)nc(C)n1 ZINC000761027941 585403823 /nfs/dbraw/zinc/40/38/23/585403823.db2.gz WVKHORNPMSYYAN-LBPRGKRZSA-N 0 3 241.294 2.380 20 30 BEEDHN C#CCOCCN(C)[C@H](C)c1ccccc1 ZINC000761110843 585410152 /nfs/dbraw/zinc/41/01/52/585410152.db2.gz WNPQIHMGFHTHRC-CYBMUJFWSA-N 0 3 217.312 2.329 20 30 BEEDHN C[C@@H]1CC(N=Nc2nc3ccccc3[nH]2)CN1C ZINC000761795246 585418492 /nfs/dbraw/zinc/41/84/92/585418492.db2.gz YIEQFAQARCZBDZ-SECBINFHSA-N 0 3 243.314 2.055 20 30 BEEDHN CCC[N@H+](CC#CCOC)Cc1ccccc1[O-] ZINC000762926280 585439595 /nfs/dbraw/zinc/43/95/95/585439595.db2.gz PEPYHHRUTJYYRU-UHFFFAOYSA-N 0 3 247.338 2.254 20 30 BEEDHN CCC[N@@H+](CC#CCOC)Cc1ccccc1[O-] ZINC000762926280 585439596 /nfs/dbraw/zinc/43/95/96/585439596.db2.gz PEPYHHRUTJYYRU-UHFFFAOYSA-N 0 3 247.338 2.254 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1ccc(C)cc1C ZINC000763895564 585456372 /nfs/dbraw/zinc/45/63/72/585456372.db2.gz NLAQLRIWFXADFU-UHFFFAOYSA-N 0 3 232.327 2.360 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000763904027 585456906 /nfs/dbraw/zinc/45/69/06/585456906.db2.gz WQABSUITMQAJNM-UHFFFAOYSA-N 0 3 238.718 2.396 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1ccccc1OCC ZINC000764068968 585459141 /nfs/dbraw/zinc/45/91/41/585459141.db2.gz LMVSSZVJNXUYHX-UHFFFAOYSA-N 0 3 248.326 2.142 20 30 BEEDHN C=C(CN(C)C)C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000764154066 585460937 /nfs/dbraw/zinc/46/09/37/585460937.db2.gz YCYQWBRSWHIJIP-AAEUAGOBSA-N 0 3 238.375 2.141 20 30 BEEDHN C=C(CN(C)C)C(=O)NC1(C)CCC(C)CC1 ZINC000764473230 585466358 /nfs/dbraw/zinc/46/63/58/585466358.db2.gz TUGGQAPUUXEQJD-UHFFFAOYSA-N 0 3 238.375 2.189 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1cc(CC)ccc1O ZINC000764623438 585469076 /nfs/dbraw/zinc/46/90/76/585469076.db2.gz KJMAEZGEPPLJOB-UHFFFAOYSA-N 0 3 248.326 2.011 20 30 BEEDHN c1ccc(N=NC2CCN3CCC[C@H]23)cc1 ZINC000765542960 585489434 /nfs/dbraw/zinc/48/94/34/585489434.db2.gz KLWMCFVPPYFJFT-CYBMUJFWSA-N 0 3 215.300 2.323 20 30 BEEDHN Fc1ccccc1N=NC1CCN2CCC[C@@H]12 ZINC000765572908 585489879 /nfs/dbraw/zinc/48/98/79/585489879.db2.gz PRSPVZBFUJTQSW-ZDUSSCGKSA-N 0 3 233.290 2.462 20 30 BEEDHN CC(C)[C@H]1CC(=NNC(=N)N)c2ccccc21 ZINC000766435100 585502579 /nfs/dbraw/zinc/50/25/79/585502579.db2.gz YJAGLTNXKXXOLL-LLVKDONJSA-N 0 3 230.315 2.017 20 30 BEEDHN C#C[C@H](C)N(C)Cc1cc2c(cc1O)CCC2 ZINC000766665923 585504694 /nfs/dbraw/zinc/50/46/94/585504694.db2.gz ZSQSXOLKVFKGNF-NSHDSACASA-N 0 3 229.323 2.334 20 30 BEEDHN C#CCCCN1CCC[C@H](c2ccnc(C)n2)C1 ZINC000766895206 585509586 /nfs/dbraw/zinc/50/95/86/585509586.db2.gz KBGXQTVZRXNHQP-AWEZNQCLSA-N 0 3 243.354 2.378 20 30 BEEDHN C#CCCCN1CCOC[C@H]1Cc1ccccc1 ZINC000766904875 585510908 /nfs/dbraw/zinc/51/09/08/585510908.db2.gz IECYQDYUOYUQLW-MRXNPFEDSA-N 0 3 243.350 2.343 20 30 BEEDHN C=CC[C@H](NC1CC(OC)C1)c1ccncc1 ZINC000769518611 585558407 /nfs/dbraw/zinc/55/84/07/585558407.db2.gz HWRXLIGMYSLSGE-RUXDESIVSA-N 0 3 232.327 2.466 20 30 BEEDHN C#CCCN1CCC[C@]1(CCC)C(=O)OCC ZINC000770002114 585569003 /nfs/dbraw/zinc/56/90/03/585569003.db2.gz PURUKRPZSVHWLA-CQSZACIVSA-N 0 3 237.343 2.208 20 30 BEEDHN CCC#C[C@H](C)N1CCC[C@H](c2nccn2C)C1 ZINC000770025351 585569807 /nfs/dbraw/zinc/56/98/07/585569807.db2.gz LWRAWPRGAQRHOV-KBPBESRZSA-N 0 3 245.370 2.401 20 30 BEEDHN OC[C@@H](NCC#Cc1ccccc1Cl)C1CC1 ZINC000771809967 585600756 /nfs/dbraw/zinc/60/07/56/585600756.db2.gz WQLGEQLVJRJRIV-CQSZACIVSA-N 0 3 249.741 2.052 20 30 BEEDHN C=CCN(C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000772382298 585614063 /nfs/dbraw/zinc/61/40/63/585614063.db2.gz PPMFKODKRTYZQG-HNNXBMFYSA-N 0 3 242.322 2.242 20 30 BEEDHN CO[C@H](C)[C@H](C)NCc1cc(C#N)ccc1F ZINC000773030909 585629680 /nfs/dbraw/zinc/62/96/80/585629680.db2.gz YIJIOQJJEANBHD-VHSXEESVSA-N 0 3 236.290 2.210 20 30 BEEDHN CC1=CCC[C@H](C)[C@H]1C=Nn1cnnc1 ZINC000773181699 585633134 /nfs/dbraw/zinc/63/31/34/585633134.db2.gz WFPUGYVRUAXIQQ-QWRGUYRKSA-N 0 3 204.277 2.104 20 30 BEEDHN CC1=CCC[C@@H](C)[C@@H]1C=Nn1cnnc1 ZINC000773181685 585633228 /nfs/dbraw/zinc/63/32/28/585633228.db2.gz WFPUGYVRUAXIQQ-GHMZBOCLSA-N 0 3 204.277 2.104 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1cccc(OCC)c1 ZINC000773851305 585645043 /nfs/dbraw/zinc/64/50/43/585645043.db2.gz DORWSCYZPXIUTQ-UHFFFAOYSA-N 0 3 248.326 2.142 20 30 BEEDHN C[C@H]1CC(=NOC2CCCC2)CCN1C ZINC000774603102 585661781 /nfs/dbraw/zinc/66/17/81/585661781.db2.gz LVHZUHSCNKLCNM-JTQLQIEISA-N 0 3 210.321 2.416 20 30 BEEDHN C[C@@H]1CC(=NOC2CCCC2)CCN1C ZINC000774603103 585661866 /nfs/dbraw/zinc/66/18/66/585661866.db2.gz LVHZUHSCNKLCNM-SNVBAGLBSA-N 0 3 210.321 2.416 20 30 BEEDHN C=CC[C@H](CO)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000774828628 585666874 /nfs/dbraw/zinc/66/68/74/585666874.db2.gz WOADAEYJJZMVFV-ZDUSSCGKSA-N 0 3 249.354 2.283 20 30 BEEDHN CC1(C#N)CCN(C[C@@H]2CCC=CO2)CC1 ZINC000775055834 585671107 /nfs/dbraw/zinc/67/11/07/585671107.db2.gz FVYYMMLFNAUFSG-LBPRGKRZSA-N 0 3 220.316 2.305 20 30 BEEDHN C#CC[C@@H](NCCN1CCCC1)c1ccccc1 ZINC000775398745 585677536 /nfs/dbraw/zinc/67/75/36/585677536.db2.gz ATUUSFYTCGIBNS-MRXNPFEDSA-N 0 3 242.366 2.436 20 30 BEEDHN C#C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCCO1 ZINC000775571781 585680426 /nfs/dbraw/zinc/68/04/26/585680426.db2.gz LPGXXNTZDZXCMV-WHOFXGATSA-N 0 3 245.322 2.224 20 30 BEEDHN C=C(C)CCN1CCCC[C@@H]1C1OCCO1 ZINC000775590587 585681013 /nfs/dbraw/zinc/68/10/13/585681013.db2.gz BXIHDOSOMNBENU-GFCCVEGCSA-N 0 3 225.332 2.180 20 30 BEEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775837947 585686147 /nfs/dbraw/zinc/68/61/47/585686147.db2.gz WAFYOPGPQXJRBH-DOMZBBRYSA-N 0 3 248.370 2.340 20 30 BEEDHN CCCCCCCN[C@@H](CO)c1cnn(C)c1 ZINC000778138029 585726080 /nfs/dbraw/zinc/72/60/80/585726080.db2.gz NXNSFYGNSZKXLJ-ZDUSSCGKSA-N 0 3 239.363 2.014 20 30 BEEDHN CC(=NNC1=N[C@H](C)CN1)[C@H](C)c1ccccc1 ZINC000779792300 585763684 /nfs/dbraw/zinc/76/36/84/585763684.db2.gz KTABVFKPDPSTCZ-MNOVXSKESA-N 0 3 244.342 2.103 20 30 BEEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccnc(F)c1 ZINC000781124807 585790714 /nfs/dbraw/zinc/79/07/14/585790714.db2.gz LSFYJFKZDZFXFE-VIFPVBQESA-N 0 3 248.305 2.103 20 30 BEEDHN COC1CCC(NCc2ccc(C#N)cn2)CC1 ZINC000783294384 585833292 /nfs/dbraw/zinc/83/32/92/585833292.db2.gz PHMQRWIODKEZOB-UHFFFAOYSA-N 0 3 245.326 2.000 20 30 BEEDHN COC[C@@H](C)CN(CCC#N)CC(C)C ZINC000783506996 585835720 /nfs/dbraw/zinc/83/57/20/585835720.db2.gz VGZRQCGIHOHNPO-LBPRGKRZSA-N 0 3 212.337 2.141 20 30 BEEDHN COC[C@H](C)CN(CCC#N)CC(C)C ZINC000783506995 585835762 /nfs/dbraw/zinc/83/57/62/585835762.db2.gz VGZRQCGIHOHNPO-GFCCVEGCSA-N 0 3 212.337 2.141 20 30 BEEDHN C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783525151 585836053 /nfs/dbraw/zinc/83/60/53/585836053.db2.gz GPIWGFRHJCKIPD-NWDGAFQWSA-N 0 3 235.327 2.227 20 30 BEEDHN C=C(C)CN(C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785480106 585874567 /nfs/dbraw/zinc/87/45/67/585874567.db2.gz DKGSZDCGMWXOBR-LLVKDONJSA-N 0 3 242.363 2.408 20 30 BEEDHN Cc1cc(CN2CC[C@@H]3C[C@@H]32)ccc1C#N ZINC000785769241 585880041 /nfs/dbraw/zinc/88/00/41/585880041.db2.gz SJYMJKAMQAPYIT-OCCSQVGLSA-N 0 3 212.296 2.461 20 30 BEEDHN Cc1cc(CN2CCN(C)[C@@H](C)C2)ccc1C#N ZINC000785765954 585880261 /nfs/dbraw/zinc/88/02/61/585880261.db2.gz IXHDFPGAMCSLDS-ZDUSSCGKSA-N 0 3 243.354 2.003 20 30 BEEDHN CC(=Nn1cnnc1)C1CCC(F)(F)CC1 ZINC000788693639 585929246 /nfs/dbraw/zinc/92/92/46/585929246.db2.gz MGAZYCCYYVGWCY-UHFFFAOYSA-N 0 3 228.246 2.328 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1ccc(C)c(C#N)c1 ZINC000859280135 589026862 /nfs/dbraw/zinc/02/68/62/589026862.db2.gz GJXRVVJQXWWNIG-GFCCVEGCSA-N 0 3 212.296 2.320 20 30 BEEDHN Cc1cccnc1N=NC1CCN2CCC[C@H]12 ZINC000790185585 585960250 /nfs/dbraw/zinc/96/02/50/585960250.db2.gz GTCSSDCHTBYYGT-GFCCVEGCSA-N 0 3 230.315 2.026 20 30 BEEDHN COC1(CNCc2ccc(C#N)cn2)CCCC1 ZINC000790990173 585971706 /nfs/dbraw/zinc/97/17/06/585971706.db2.gz CLQBTJFPMKWFQU-UHFFFAOYSA-N 0 3 245.326 2.002 20 30 BEEDHN C[C@@H]1C[C@@H](C)N1C[C@H](O)c1ccc(C#N)cc1 ZINC000791568651 585984289 /nfs/dbraw/zinc/98/42/89/585984289.db2.gz XKYURBWDEPUGLQ-GYSYKLTISA-N 0 3 230.311 2.074 20 30 BEEDHN C#CC(C)(C)N(C)C[C@H](OCC)C1CC1 ZINC000859281368 589027161 /nfs/dbraw/zinc/02/71/61/589027161.db2.gz UHIBFPZPSODUGU-LBPRGKRZSA-N 0 3 209.333 2.145 20 30 BEEDHN C=CCN(C[C@@H]1CC2(CCC2)C(=O)O1)C1CC1 ZINC000792268568 585998601 /nfs/dbraw/zinc/99/86/01/585998601.db2.gz LJQAJMXNVAHIKF-LBPRGKRZSA-N 0 3 235.327 2.123 20 30 BEEDHN C#CCN(C)CCN1CCCc2ccccc21 ZINC000792302508 585999554 /nfs/dbraw/zinc/99/95/54/585999554.db2.gz YZEHFZWDFBNIMB-UHFFFAOYSA-N 0 3 228.339 2.004 20 30 BEEDHN CC[C@@H](C)CON=C1CCN2CCC[C@H]12 ZINC000793144909 586011408 /nfs/dbraw/zinc/01/14/08/586011408.db2.gz GGLGIZNZDOUVAM-ZYHUDNBSSA-N 0 3 210.321 2.273 20 30 BEEDHN C#CC[C@H](NCc1cnc[nH]1)c1ccccc1 ZINC000796451183 586103729 /nfs/dbraw/zinc/10/37/29/586103729.db2.gz RNLGJORYZUXDKH-AWEZNQCLSA-N 0 3 225.295 2.264 20 30 BEEDHN N#CC(C(=O)CCC(F)F)c1ccccn1 ZINC000796633115 586108779 /nfs/dbraw/zinc/10/87/79/586108779.db2.gz PJOQTCIBCZXIAX-QMMMGPOBSA-N 0 3 224.210 2.303 20 30 BEEDHN N#CCC1(CNCc2ccc3c(c2)CCO3)CC1 ZINC000797469212 586127676 /nfs/dbraw/zinc/12/76/76/586127676.db2.gz XNMOGVSHKSMEGD-UHFFFAOYSA-N 0 3 242.322 2.405 20 30 BEEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000797878137 586133520 /nfs/dbraw/zinc/13/35/20/586133520.db2.gz NLNCVZGBLFALFY-HIFRSBDPSA-N 0 3 247.338 2.463 20 30 BEEDHN C=CCN1CC[C@@H](N2CCCCCCC2)C1=O ZINC000799104728 586156499 /nfs/dbraw/zinc/15/64/99/586156499.db2.gz WCTNBKCDFXOOAM-CYBMUJFWSA-N 0 3 236.359 2.039 20 30 BEEDHN Cc1ccccc1[C@H](O)CN[C@@H]1CC[C@@H](C#N)C1 ZINC000799717877 586194389 /nfs/dbraw/zinc/19/43/89/586194389.db2.gz VSSCWGQHPJXTAH-UMVBOHGHSA-N 0 3 244.338 2.310 20 30 BEEDHN C[C@@H](C#N)OCCN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000859415038 589035687 /nfs/dbraw/zinc/03/56/87/589035687.db2.gz NYEBBVKTOFEBQO-AXFHLTTASA-N 0 3 246.301 2.138 20 30 BEEDHN C#CCCN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000859413355 589035877 /nfs/dbraw/zinc/03/58/77/589035877.db2.gz DEGPIIAYZQZTHB-NXEZZACHSA-N 0 3 201.260 2.233 20 30 BEEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000800983011 586239232 /nfs/dbraw/zinc/23/92/32/586239232.db2.gz ULPGNHDPWMHOSI-YUTCNCBUSA-N 0 3 227.311 2.231 20 30 BEEDHN C=CCN(CCO[C@@H](C)C#N)CCc1ccco1 ZINC000801938334 586280098 /nfs/dbraw/zinc/28/00/98/586280098.db2.gz DWFLMPVOGFQPFY-ZDUSSCGKSA-N 0 3 248.326 2.239 20 30 BEEDHN C[C@H](C#N)Oc1ccc(CN2CC(C)C2)cc1 ZINC000802651543 586308051 /nfs/dbraw/zinc/30/80/51/586308051.db2.gz QJVBJLWCVSLSTI-GFCCVEGCSA-N 0 3 230.311 2.429 20 30 BEEDHN C=CCCOC(=O)CC[C@H]1CCCCN1C ZINC000803855757 586377328 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C=C(Cl)C[C@H](N)C(=O)N(C)CC1CCCC1 ZINC000876629231 590223666 /nfs/dbraw/zinc/22/36/66/590223666.db2.gz FDKGXTJETAMGQQ-NSHDSACASA-N 0 3 244.766 2.105 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)CCC ZINC000876628125 590223672 /nfs/dbraw/zinc/22/36/72/590223672.db2.gz GEADRIAHFJVXFY-ZJUUUORDSA-N 0 3 232.755 2.151 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)(C)CC1 ZINC000876646616 590225504 /nfs/dbraw/zinc/22/55/04/590225504.db2.gz WYTXZIBVVWRMKR-SNVBAGLBSA-N 0 3 244.766 2.105 20 30 BEEDHN CC[C@@H](C)[C@@H](CN1CCC(C#N)CC1)OC ZINC000876652703 590226462 /nfs/dbraw/zinc/22/64/62/590226462.db2.gz HTLQBXFHUPCWRC-DGCLKSJQSA-N 0 3 224.348 2.283 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(CC)CCC1 ZINC000876658561 590227082 /nfs/dbraw/zinc/22/70/82/590227082.db2.gz ZHCZIAYDBCBXOX-JTQLQIEISA-N 0 3 244.766 2.153 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@H]1C ZINC000876663438 590227250 /nfs/dbraw/zinc/22/72/50/590227250.db2.gz VNQZFDQWZDHMCH-GHMZBOCLSA-N 0 3 244.766 2.247 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000876669989 590228738 /nfs/dbraw/zinc/22/87/38/590228738.db2.gz CWNLXHXFPKLNTM-IEBDPFPHSA-N 0 3 244.766 2.103 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1CC ZINC000876670153 590228842 /nfs/dbraw/zinc/22/88/42/590228842.db2.gz HLYLEILIUMHGSO-MIMYLULJSA-N 0 3 244.766 2.103 20 30 BEEDHN C#CCCCCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000876741087 590235156 /nfs/dbraw/zinc/23/51/56/590235156.db2.gz IQUXWGVHORUVEM-OKILXGFUSA-N 0 3 221.344 2.433 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H](C)C1 ZINC000876901878 590255410 /nfs/dbraw/zinc/25/54/10/590255410.db2.gz JNYDFQFDTAXOFC-KOLCDFICSA-N 0 3 244.766 2.105 20 30 BEEDHN C[C@@H](Cc1ccco1)NCc1cccc(C#N)n1 ZINC000876917767 590256934 /nfs/dbraw/zinc/25/69/34/590256934.db2.gz VZFIYDFTMVBKFZ-NSHDSACASA-N 0 3 241.294 2.267 20 30 BEEDHN Cc1cc(CN)cc(NC(=O)C#CC(C)(C)C)c1 ZINC000876933077 590258628 /nfs/dbraw/zinc/25/86/28/590258628.db2.gz DXMTXLWZZRIILX-UHFFFAOYSA-N 0 3 244.338 2.442 20 30 BEEDHN C=CCCCCCNC(=O)[C@H](N)CC(=C)Cl ZINC000876952750 590260530 /nfs/dbraw/zinc/26/05/30/590260530.db2.gz VSMYECALJAIPIK-LLVKDONJSA-N 0 3 244.766 2.319 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000876959764 590261282 /nfs/dbraw/zinc/26/12/82/590261282.db2.gz XGNOMELNUGIIFC-IEBDPFPHSA-N 0 3 244.766 2.103 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H](C)CC ZINC000876960646 590261609 /nfs/dbraw/zinc/26/16/09/590261609.db2.gz JBWLLUCTMWSKQQ-WCBMZHEXSA-N 0 3 232.755 2.009 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C(C)C)C1CC1 ZINC000876973418 590262830 /nfs/dbraw/zinc/26/28/30/590262830.db2.gz FXAMRZQGWDKTBI-WDEREUQCSA-N 0 3 244.766 2.007 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(CC(C)C)CC1 ZINC000876976409 590263540 /nfs/dbraw/zinc/26/35/40/590263540.db2.gz LJCJNWXORFSIBP-SNVBAGLBSA-N 0 3 244.766 2.151 20 30 BEEDHN C[C@H](NCc1cccc(C#N)n1)C1(C)CC1 ZINC000876976930 590263904 /nfs/dbraw/zinc/26/39/04/590263904.db2.gz PPYMYCQYLDZQOY-JTQLQIEISA-N 0 3 215.300 2.231 20 30 BEEDHN C=CC[C@@H]1CCN(C(=O)c2cccc(CN)c2)C1 ZINC000876995479 590267020 /nfs/dbraw/zinc/26/70/20/590267020.db2.gz ZGEKONKWEBTTCS-GFCCVEGCSA-N 0 3 244.338 2.184 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)CC(C)C ZINC000877032075 590271664 /nfs/dbraw/zinc/27/16/64/590271664.db2.gz YHAYQDDNCKFJCN-LLVKDONJSA-N 0 3 246.782 2.351 20 30 BEEDHN C#CCCCNCc1cc(C#N)cnc1Cl ZINC000877070059 590277285 /nfs/dbraw/zinc/27/72/85/590277285.db2.gz KGMNPPWYCKFXAA-UHFFFAOYSA-N 0 3 233.702 2.110 20 30 BEEDHN N#Cc1cnc(Cl)c(CNCCC2CC2)c1 ZINC000877072947 590277844 /nfs/dbraw/zinc/27/78/44/590277844.db2.gz YLSSLOKTVITCJB-UHFFFAOYSA-N 0 3 235.718 2.496 20 30 BEEDHN C[C@@H](CCC#N)CNCc1cccc(F)n1 ZINC000877115998 590288174 /nfs/dbraw/zinc/28/81/74/590288174.db2.gz ZQRIDJHNCXOMDB-JTQLQIEISA-N 0 3 221.279 2.250 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCCC1CC1 ZINC000877241975 590302141 /nfs/dbraw/zinc/30/21/41/590302141.db2.gz YTDOMTGEYQPKCS-LLVKDONJSA-N 0 3 244.766 2.153 20 30 BEEDHN C#CCCCCCCN(C)[C@H](C)C[S@@](C)=O ZINC000877326628 590306912 /nfs/dbraw/zinc/30/69/12/590306912.db2.gz ZWUGDQMQOZQAQQ-CZUORRHYSA-N 0 3 243.416 2.269 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@H](C)NC1CC1 ZINC000877304208 590311122 /nfs/dbraw/zinc/31/11/22/590311122.db2.gz VKLBIYINOQZGTR-NSHDSACASA-N 0 3 238.375 2.236 20 30 BEEDHN C[C@H](C#N)CN[C@H]1CCOC2(CCCC2)C1 ZINC000877321293 590316210 /nfs/dbraw/zinc/31/62/10/590316210.db2.gz HOEVFVLEMZTODW-NEPJUHHUSA-N 0 3 222.332 2.227 20 30 BEEDHN CO[C@@H](CNCc1ccc(C#N)cn1)CC(C)C ZINC000877460909 590331239 /nfs/dbraw/zinc/33/12/39/590331239.db2.gz XWTKJJDOBGOUDK-CQSZACIVSA-N 0 3 247.342 2.104 20 30 BEEDHN CCO[P@](C)(=O)CC[C@H](C)NCCC#N ZINC000877483589 590337940 /nfs/dbraw/zinc/33/79/40/590337940.db2.gz OOYNHGOLDSGNFM-BONVTDFDSA-N 0 3 232.264 2.213 20 30 BEEDHN CSC(C)(C)CCNCC1(C#N)CC1 ZINC000877493868 590340639 /nfs/dbraw/zinc/34/06/39/590340639.db2.gz IYSCGGSZXJFCTK-UHFFFAOYSA-N 0 3 212.362 2.411 20 30 BEEDHN C#C[C@H](N[C@H](C)c1cnc(C)nc1C)C(C)C ZINC000877513125 590343686 /nfs/dbraw/zinc/34/36/86/590343686.db2.gz LNMAAWLAXHETER-RISCZKNCSA-N 0 3 231.343 2.402 20 30 BEEDHN C#C[C@@H](NCc1c2c(nn1C)CCCC2)C(C)C ZINC000877513377 590344063 /nfs/dbraw/zinc/34/40/63/590344063.db2.gz TXYVELABYCYIFP-CYBMUJFWSA-N 0 3 245.370 2.046 20 30 BEEDHN C#C[C@H](CC)NCc1cccc(NC(C)=O)c1 ZINC000877513410 590344261 /nfs/dbraw/zinc/34/42/61/590344261.db2.gz VHMVUFZSXBQUEH-CYBMUJFWSA-N 0 3 230.311 2.146 20 30 BEEDHN C#C[C@H](C)N[C@H](C)[C@@H](OC)c1ccccc1 ZINC000877514437 590344614 /nfs/dbraw/zinc/34/46/14/590344614.db2.gz OBIRPFCNRBABIZ-OUCADQQQSA-N 0 3 217.312 2.374 20 30 BEEDHN C#C[C@H](C)N[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000877514439 590344742 /nfs/dbraw/zinc/34/47/42/590344742.db2.gz OBIRPFCNRBABIZ-SGMGOOAPSA-N 0 3 217.312 2.374 20 30 BEEDHN COc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1[O-] ZINC000877525886 590347852 /nfs/dbraw/zinc/34/78/52/590347852.db2.gz MIYRPLTVXPUFNZ-NSHDSACASA-N 0 3 248.326 2.430 20 30 BEEDHN C[C@H](CCC#N)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000877614991 590374325 /nfs/dbraw/zinc/37/43/25/590374325.db2.gz LDDQYWFOHNQSSX-BBBLOLIVSA-N 0 3 214.259 2.123 20 30 BEEDHN C[C@@H](CCC#N)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000877614992 590375263 /nfs/dbraw/zinc/37/52/63/590375263.db2.gz LDDQYWFOHNQSSX-LPEHRKFASA-N 0 3 214.259 2.123 20 30 BEEDHN N#Cc1cnc(Cl)c(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000877635676 590380622 /nfs/dbraw/zinc/38/06/22/590380622.db2.gz BGERMLNWDZKYTG-GHMZBOCLSA-N 0 3 247.729 2.448 20 30 BEEDHN CC1(N[C@H]2CC[C@H](C#N)C2)CC(F)(F)C1 ZINC000877834867 590431244 /nfs/dbraw/zinc/43/12/44/590431244.db2.gz YUBCOOTUODHEJH-IUCAKERBSA-N 0 3 214.259 2.456 20 30 BEEDHN C=CC[C@@H](C)N1CCN(c2ccc(O)cc2)CC1 ZINC000877911453 590445991 /nfs/dbraw/zinc/44/59/91/590445991.db2.gz JSAAPYQHDNERMF-CYBMUJFWSA-N 0 3 246.354 2.479 20 30 BEEDHN C=CC[C@@H](C)N1CCN(c2ccccc2O)CC1 ZINC000877948314 590454539 /nfs/dbraw/zinc/45/45/39/590454539.db2.gz SFLREKBDIYDEQA-CYBMUJFWSA-N 0 3 246.354 2.479 20 30 BEEDHN C=CC[C@H](C)N1CCC[C@H](NC(=O)OCC)C1 ZINC000877963403 590459528 /nfs/dbraw/zinc/45/95/28/590459528.db2.gz KXOVHFBGLVBNCH-RYUDHWBXSA-N 0 3 240.347 2.162 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N1CCC(C)(C)CC1 ZINC000878038426 590476795 /nfs/dbraw/zinc/47/67/95/590476795.db2.gz JZUFXUIXYXMAQG-NSHDSACASA-N 0 3 225.332 2.226 20 30 BEEDHN C=CC[C@@H](C)N1CCN(C2CCC2)CC1 ZINC000878104485 590494788 /nfs/dbraw/zinc/49/47/88/590494788.db2.gz MMZSUAXEPPNLGR-GFCCVEGCSA-N 0 3 208.349 2.121 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N1CCC2(CCCC2)C1 ZINC000878149326 590504507 /nfs/dbraw/zinc/50/45/07/590504507.db2.gz OFZYZEPVZNMUKP-LBPRGKRZSA-N 0 3 237.343 2.370 20 30 BEEDHN C#CCN(CC#C)CC[C@@H]1CCCC1(F)F ZINC000878151698 590508339 /nfs/dbraw/zinc/50/83/39/590508339.db2.gz DBJJUFVQGJFVAN-LBPRGKRZSA-N 0 3 225.282 2.380 20 30 BEEDHN C=CC[C@@H](C)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000878310994 590541342 /nfs/dbraw/zinc/54/13/42/590541342.db2.gz XIHQUTHIMFLPEK-KGLIPLIRSA-N 0 3 235.375 2.117 20 30 BEEDHN C=CC[C@@H](C)N1CCN(c2ccc(F)cn2)CC1 ZINC000878374460 590556235 /nfs/dbraw/zinc/55/62/35/590556235.db2.gz SDWBSPSXVOTHBE-GFCCVEGCSA-N 0 3 249.333 2.307 20 30 BEEDHN C=C(C)CN(C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878383366 590558276 /nfs/dbraw/zinc/55/82/76/590558276.db2.gz OMPGPFQCWCRUHP-ZDUSSCGKSA-N 0 3 239.359 2.223 20 30 BEEDHN CC(C)[C@H](O)CCN1CCC(C)(C#N)CC1 ZINC000878389473 590558590 /nfs/dbraw/zinc/55/85/90/590558590.db2.gz JHBNFQFJAUMGSK-GFCCVEGCSA-N 0 3 224.348 2.019 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N(CC)CCC1CC1 ZINC000878432359 590565980 /nfs/dbraw/zinc/56/59/80/590565980.db2.gz BHYNQPSRKQPTEU-LBPRGKRZSA-N 0 3 225.332 2.226 20 30 BEEDHN C#CCN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CC1 ZINC000878434148 590567037 /nfs/dbraw/zinc/56/70/37/590567037.db2.gz HEHNYWITUPWKDM-UBHSHLNASA-N 0 3 219.328 2.042 20 30 BEEDHN C#CCN(C[C@H]1CCCC(C)(C)O1)C1CC1 ZINC000878434016 590567425 /nfs/dbraw/zinc/56/74/25/590567425.db2.gz GGGFDYAUPUULRL-CYBMUJFWSA-N 0 3 221.344 2.432 20 30 BEEDHN C[C@H](CO)N(Cc1ccc(C#N)o1)C1CCCC1 ZINC000878475058 590574260 /nfs/dbraw/zinc/57/42/60/590574260.db2.gz HQNWAKFULNPRDR-LLVKDONJSA-N 0 3 248.326 2.277 20 30 BEEDHN C=CC(C)(C)CC(=O)N1CCC[C@H]1CN(C)C ZINC000878652510 590602566 /nfs/dbraw/zinc/60/25/66/590602566.db2.gz RQISRFSEXBBNRW-LBPRGKRZSA-N 0 3 238.375 2.141 20 30 BEEDHN C#CCCCCCN(C1CC1)C1COC1 ZINC000878658659 590603897 /nfs/dbraw/zinc/60/38/97/590603897.db2.gz STDLMZLQXQIVRC-UHFFFAOYSA-N 0 3 207.317 2.043 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000878675218 590607809 /nfs/dbraw/zinc/60/78/09/590607809.db2.gz MURBDBHCSADJHJ-XQQFMLRXSA-N 0 3 237.343 2.226 20 30 BEEDHN C#CCCN1CCC[C@@H](c2cccnc2)C1 ZINC000878754281 590618816 /nfs/dbraw/zinc/61/88/16/590618816.db2.gz VBHSOXHWTTZXTH-CQSZACIVSA-N 0 3 214.312 2.284 20 30 BEEDHN C[C@@H]1CN(CCCC2CC2)C[C@@H](C)N1CC#N ZINC000878771334 590620221 /nfs/dbraw/zinc/62/02/21/590620221.db2.gz IWGOYXRZBWZHAG-CHWSQXEVSA-N 0 3 235.375 2.095 20 30 BEEDHN C=C/C=C/CCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878771483 590620649 /nfs/dbraw/zinc/62/06/49/590620649.db2.gz MSCKBZNKCIOVMN-BEVHLOIGSA-N 0 3 233.359 2.037 20 30 BEEDHN C=C/C=C\CCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878771485 590620750 /nfs/dbraw/zinc/62/07/50/590620750.db2.gz MSCKBZNKCIOVMN-LAWSMPECSA-N 0 3 233.359 2.037 20 30 BEEDHN C=CC[C@H](C(=O)OC)N1CCC[C@@H](CC=C)C1 ZINC000878915378 590650205 /nfs/dbraw/zinc/65/02/05/590650205.db2.gz SFCGNOCFAQQOCK-CHWSQXEVSA-N 0 3 237.343 2.392 20 30 BEEDHN C=C[C@H](CO)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878995149 590672247 /nfs/dbraw/zinc/67/22/47/590672247.db2.gz LZZNKJNCQCTNGS-KFWWJZLASA-N 0 3 247.338 2.043 20 30 BEEDHN C=C[C@H](CO)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878995151 590672254 /nfs/dbraw/zinc/67/22/54/590672254.db2.gz LZZNKJNCQCTNGS-RBSFLKMASA-N 0 3 247.338 2.043 20 30 BEEDHN C=C[C@H](CO)NC[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878995148 590672889 /nfs/dbraw/zinc/67/28/89/590672889.db2.gz LZZNKJNCQCTNGS-ILXRZTDVSA-N 0 3 247.338 2.043 20 30 BEEDHN C=CC[C@@H](C)N1CCc2c(cccc2C(N)=O)C1 ZINC000879000411 590673608 /nfs/dbraw/zinc/67/36/08/590673608.db2.gz RTDJYWXPNWTUIF-LLVKDONJSA-N 0 3 244.338 2.108 20 30 BEEDHN C=CC[C@@H](C)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000879131203 590700861 /nfs/dbraw/zinc/70/08/61/590700861.db2.gz WGSZIOKDFWYJDA-BPLDGKMQSA-N 0 3 247.338 2.075 20 30 BEEDHN C=C(Br)CN(C)Cc1cn[nH]c1C ZINC000879185021 590710823 /nfs/dbraw/zinc/71/08/23/590710823.db2.gz BUBHPMHNOYSJLN-UHFFFAOYSA-N 0 3 244.136 2.059 20 30 BEEDHN CC#CCN1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879240673 590718815 /nfs/dbraw/zinc/71/88/15/590718815.db2.gz HPFNZXGUDZUEPU-CABCVRRESA-N 0 3 229.323 2.208 20 30 BEEDHN C=C(Cl)CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000879417426 590759456 /nfs/dbraw/zinc/75/94/56/590759456.db2.gz ZJNDYXGSNUVLDJ-WOPDTQHZSA-N 0 3 229.751 2.364 20 30 BEEDHN C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651451 590843908 /nfs/dbraw/zinc/84/39/08/590843908.db2.gz WIJGAUPCLRKABM-RYUDHWBXSA-N 0 3 235.327 2.370 20 30 BEEDHN C=CC(C)(C)CC(=O)NCC1(N(C)C)CCC1 ZINC000879664366 590844329 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VJUDIFSNPZULDQ-LLVKDONJSA-N 0 3 210.321 2.037 20 30 BEEDHN CC(C#N)C(=O)NC[C@]1(C)C[C@H]1c1ccccc1 ZINC000501761608 533113415 /nfs/dbraw/zinc/11/34/15/533113415.db2.gz BICSWAFKHMGVBC-WHOFXGATSA-N 0 3 242.322 2.456 20 30 BEEDHN C=CC[C@H](CO)NCc1ccc(SC)s1 ZINC000309074074 385404326 /nfs/dbraw/zinc/40/43/26/385404326.db2.gz IHSSOLRQHADJEH-SECBINFHSA-N 0 3 243.397 2.497 20 30 BEEDHN C=CCNC1(c2cccc(OC)c2)CC1 ZINC000309075757 385405616 /nfs/dbraw/zinc/40/56/16/385405616.db2.gz KGZWVIFAIDBBHP-UHFFFAOYSA-N 0 3 203.285 2.460 20 30 BEEDHN Cc1ncc(CN[C@H]2CC[C@@H](C#N)C2)s1 ZINC000309220859 385482464 /nfs/dbraw/zinc/48/24/64/385482464.db2.gz VDPWXJSDAWOBFI-ZJUUUORDSA-N 0 3 221.329 2.233 20 30 BEEDHN CC#CCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444733484 385489790 /nfs/dbraw/zinc/48/97/90/385489790.db2.gz XMBITGQDQIIECQ-MNOVXSKESA-N 0 3 249.276 2.035 20 30 BEEDHN C[C@@H](c1ccccc1)N1CC[C@](O)(CC#N)C1 ZINC000592146999 385567826 /nfs/dbraw/zinc/56/78/26/385567826.db2.gz HMWMORWEGDXQPH-GXTWGEPZSA-N 0 3 230.311 2.098 20 30 BEEDHN C[C@@H](O)[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000264476722 385571737 /nfs/dbraw/zinc/57/17/37/385571737.db2.gz YVUGCXZYOGGKSR-IUODEOHRSA-N 0 3 244.338 2.294 20 30 BEEDHN COc1ccc(C[C@H](C)NC[C@@H](C)C#N)cc1 ZINC000054180656 385599622 /nfs/dbraw/zinc/59/96/22/385599622.db2.gz BOPVVMHLYPAWTG-RYUDHWBXSA-N 0 3 232.327 2.375 20 30 BEEDHN Cc1cc(C)cc(CNC(=O)C(C)C#N)c1 ZINC000598142714 385600216 /nfs/dbraw/zinc/60/02/16/385600216.db2.gz BPPCTKJMKFLLKV-NSHDSACASA-N 0 3 216.284 2.079 20 30 BEEDHN CCN(CCC1CCOCC1)C[C@@H](C)C#N ZINC000309528935 385664146 /nfs/dbraw/zinc/66/41/46/385664146.db2.gz BNMZTWZTGHHVLT-LBPRGKRZSA-N 0 3 224.348 2.285 20 30 BEEDHN Cc1ccc(O)c(CN2CCC[C@H](CC#N)C2)n1 ZINC000597174449 385665240 /nfs/dbraw/zinc/66/52/40/385665240.db2.gz QUULNZVOOSJABN-GFCCVEGCSA-N 0 3 245.326 2.221 20 30 BEEDHN CCN(CCC1CCOCC1)C[C@H](C)C#N ZINC000309528934 385665436 /nfs/dbraw/zinc/66/54/36/385665436.db2.gz BNMZTWZTGHHVLT-GFCCVEGCSA-N 0 3 224.348 2.285 20 30 BEEDHN N#Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)s1 ZINC000309555668 385692927 /nfs/dbraw/zinc/69/29/27/385692927.db2.gz HOCJMKSFSKCOBD-UWVGGRQHSA-N 0 3 231.324 2.402 20 30 BEEDHN CC[C@@H](C)[C@@H](O)CNCc1ccc(C#N)cc1 ZINC000264885383 385695659 /nfs/dbraw/zinc/69/56/59/385695659.db2.gz VMDHSXQSDMHREB-RISCZKNCSA-N 0 3 232.327 2.055 20 30 BEEDHN N#CC[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000397569040 385670769 /nfs/dbraw/zinc/67/07/69/385670769.db2.gz BFJYYEFEYIOZOQ-LBPRGKRZSA-N 0 3 217.316 2.306 20 30 BEEDHN C=CCC[C@H](CO)N[C@@H](C)c1cncc(F)c1 ZINC000320224007 385750717 /nfs/dbraw/zinc/75/07/17/385750717.db2.gz AKFAOJRODKOAOI-GXFFZTMASA-N 0 3 238.306 2.198 20 30 BEEDHN CN(CCCC#N)CCc1cccc([N+](=O)[O-])c1 ZINC000282368441 385756117 /nfs/dbraw/zinc/75/61/17/385756117.db2.gz DYIWZTTVBTVFFR-UHFFFAOYSA-N 0 3 247.298 2.373 20 30 BEEDHN C[C@@H]1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CO1 ZINC000572363277 385813378 /nfs/dbraw/zinc/81/33/78/385813378.db2.gz RUIGTKASTMAPKG-YVLXSGLVSA-N 0 3 242.322 2.313 20 30 BEEDHN C=CCC[C@@H](CO)NCc1cc(F)cc(F)c1 ZINC000320250027 385819838 /nfs/dbraw/zinc/81/98/38/385819838.db2.gz IBBJRUPMXAKJEH-ZDUSSCGKSA-N 0 3 241.281 2.382 20 30 BEEDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccccc1C#N ZINC000159236098 385837887 /nfs/dbraw/zinc/83/78/87/385837887.db2.gz FPQLACDCCSAXKB-IUODEOHRSA-N 0 3 244.338 2.294 20 30 BEEDHN CC(C)[C@@H]1N(C(=O)C(C)C#N)CC12CCC2 ZINC000334321430 385986084 /nfs/dbraw/zinc/98/60/84/385986084.db2.gz HZGBIOBKNFAKPB-QWRGUYRKSA-N 0 3 220.316 2.183 20 30 BEEDHN CC[C@@H](COC)NCc1ccc(C#N)c(OC)c1 ZINC000233880748 386009472 /nfs/dbraw/zinc/00/94/72/386009472.db2.gz RLJKQVFBRKJSQO-ZDUSSCGKSA-N 0 3 248.326 2.081 20 30 BEEDHN Cn1cc2c(n1)CCC[C@@H]2NCC(C)(C)CC#N ZINC000414165396 386047576 /nfs/dbraw/zinc/04/75/76/386047576.db2.gz LURRSIYYDNRGRE-LBPRGKRZSA-N 0 3 246.358 2.327 20 30 BEEDHN CC[C@H](NCC(C)(C)CC#N)c1cnn(C)c1 ZINC000414168126 386050690 /nfs/dbraw/zinc/05/06/90/386050690.db2.gz QHPPPMNVRAHBKK-LBPRGKRZSA-N 0 3 234.347 2.401 20 30 BEEDHN CN(CCN(C)C1CC1)c1cccc(F)c1C#N ZINC000274431910 386102494 /nfs/dbraw/zinc/10/24/94/386102494.db2.gz FCZAVBJCAVIVMZ-UHFFFAOYSA-N 0 3 247.317 2.228 20 30 BEEDHN C=CCC[C@@H](CO)NCc1occc1C ZINC000320282628 386096699 /nfs/dbraw/zinc/09/66/99/386096699.db2.gz OGMHEVOWTWYONX-NSHDSACASA-N 0 3 209.289 2.005 20 30 BEEDHN CC[C@H](COC)NCc1cc(C#N)cs1 ZINC000086500338 386159256 /nfs/dbraw/zinc/15/92/56/386159256.db2.gz QOFUNYOAXQTGIC-SNVBAGLBSA-N 0 3 224.329 2.134 20 30 BEEDHN C=CCCCNC(=O)Nc1ccccc1CNC ZINC000415917017 386162078 /nfs/dbraw/zinc/16/20/78/386162078.db2.gz CJCTYVHREPXGJL-UHFFFAOYSA-N 0 3 247.342 2.494 20 30 BEEDHN C=CC[C@@H](C)NC(=O)Nc1ccccc1CNC ZINC000415915130 386162352 /nfs/dbraw/zinc/16/23/52/386162352.db2.gz YHMLXPFZUBGDDT-LLVKDONJSA-N 0 3 247.342 2.492 20 30 BEEDHN C=CCCN(C)C(=O)Nc1cccc(CNC)c1 ZINC000415953235 386174509 /nfs/dbraw/zinc/17/45/09/386174509.db2.gz FENSRFNGKSBWHN-UHFFFAOYSA-N 0 3 247.342 2.446 20 30 BEEDHN C=CCC[C@H](CO)N[C@H](C)c1cccnc1 ZINC000320287726 386135494 /nfs/dbraw/zinc/13/54/94/386135494.db2.gz PGCXHVTVGPKMPI-DGCLKSJQSA-N 0 3 220.316 2.059 20 30 BEEDHN C=CCC[C@@H](CO)NCc1cc(F)ccc1F ZINC000320291694 386141776 /nfs/dbraw/zinc/14/17/76/386141776.db2.gz QPVTVCOXBWXOCC-LBPRGKRZSA-N 0 3 241.281 2.382 20 30 BEEDHN CSc1ccc(CNC(=O)C(C)C#N)cc1 ZINC000347056364 386206592 /nfs/dbraw/zinc/20/65/92/386206592.db2.gz BPIRLHNJNRWVTQ-SECBINFHSA-N 0 3 234.324 2.184 20 30 BEEDHN COc1ccc([C@@H](C)N(C)C(=O)C(C)C#N)cc1 ZINC000347060603 386210795 /nfs/dbraw/zinc/21/07/95/386210795.db2.gz CZWROQLOLPRYOI-GHMZBOCLSA-N 0 3 246.310 2.374 20 30 BEEDHN CCC(CC)[C@@H](O)CNCc1ccc(C#N)cc1 ZINC000225815522 386219687 /nfs/dbraw/zinc/21/96/87/386219687.db2.gz CJMWGGTZZWHXPH-HNNXBMFYSA-N 0 3 246.354 2.445 20 30 BEEDHN Cc1ccccc1C[C@@H](C)NC(=O)C(C)C#N ZINC000347037104 386225583 /nfs/dbraw/zinc/22/55/83/386225583.db2.gz NECCUIXKPJHSKG-VXGBXAGGSA-N 0 3 230.311 2.202 20 30 BEEDHN C=CCOc1ccccc1CNC(=O)C(C)C#N ZINC000347118469 386234347 /nfs/dbraw/zinc/23/43/47/386234347.db2.gz VRRVGQFTLJJNEW-LLVKDONJSA-N 0 3 244.294 2.027 20 30 BEEDHN C=C[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416189308 386234595 /nfs/dbraw/zinc/23/45/95/386234595.db2.gz JHFBYJKGSYXXQA-JSGCOSHPSA-N 0 3 246.354 2.370 20 30 BEEDHN CCN(C(=O)C(C)C#N)[C@@H](C)c1cccnc1 ZINC000347126610 386236649 /nfs/dbraw/zinc/23/66/49/386236649.db2.gz SCPJCKDQZUVYKY-MNOVXSKESA-N 0 3 231.299 2.151 20 30 BEEDHN CC(C#N)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000347084105 386242762 /nfs/dbraw/zinc/24/27/62/386242762.db2.gz LZLPFXFHBICZAE-JTQLQIEISA-N 0 3 248.301 2.379 20 30 BEEDHN CC(C#N)C(=O)NCC(C)(C)Oc1ccccc1 ZINC000347088920 386245423 /nfs/dbraw/zinc/24/54/23/386245423.db2.gz QKCVJXHNQMNJJI-NSHDSACASA-N 0 3 246.310 2.120 20 30 BEEDHN C=CCC[C@H](CO)NCc1cc(C#N)cs1 ZINC000320325651 386325284 /nfs/dbraw/zinc/32/52/84/386325284.db2.gz FMWSUCAGVGUNMG-LLVKDONJSA-N 0 3 236.340 2.036 20 30 BEEDHN C=CCCCN(C)Cc1ccc(C)nn1 ZINC000414392813 386272012 /nfs/dbraw/zinc/27/20/12/386272012.db2.gz GQGUNLQEJWHLDC-UHFFFAOYSA-N 0 3 205.305 2.183 20 30 BEEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cnccn1 ZINC000280722784 386372968 /nfs/dbraw/zinc/37/29/68/386372968.db2.gz VBCPBCIOFIQPML-DYEKYZERSA-N 0 3 247.342 2.108 20 30 BEEDHN C=CCC[C@H](CO)NCc1ccc(C#N)cc1F ZINC000320207291 386408348 /nfs/dbraw/zinc/40/83/48/386408348.db2.gz DSJDYZKMFCSUHQ-CYBMUJFWSA-N 0 3 248.301 2.114 20 30 BEEDHN C=CCC[C@H](CO)N[C@H](C)c1cnc(C)nc1C ZINC000453360682 386477891 /nfs/dbraw/zinc/47/78/91/386477891.db2.gz PKFFZJATOFUAIA-DGCLKSJQSA-N 0 3 249.358 2.071 20 30 BEEDHN C=C(C)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000122736811 386509290 /nfs/dbraw/zinc/50/92/90/386509290.db2.gz YRQZDKOUWIQJQM-UHFFFAOYSA-N 0 3 236.271 2.269 20 30 BEEDHN CCC#C[C@H](C)N(C)C[C@H](O)Cc1ccccc1 ZINC000645012112 386670496 /nfs/dbraw/zinc/67/04/96/386670496.db2.gz RNJDBPRSMJYGPB-GOEBONIOSA-N 0 3 245.366 2.324 20 30 BEEDHN N#Cc1csc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000190344980 386681628 /nfs/dbraw/zinc/68/16/28/386681628.db2.gz QUIUZOGEFSPADT-UPJWGTAASA-N 0 3 248.351 2.277 20 30 BEEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1 ZINC000050198048 386683811 /nfs/dbraw/zinc/68/38/11/386683811.db2.gz LEOHCAXPWIOHLS-OCCSQVGLSA-N 0 3 246.354 2.418 20 30 BEEDHN C#CCOc1ccc(CN(C)CCCOC)cc1 ZINC000092537256 533185914 /nfs/dbraw/zinc/18/59/14/533185914.db2.gz MCXAYGGDXQJVJY-UHFFFAOYSA-N 0 3 247.338 2.167 20 30 BEEDHN COC[C@@H](NCc1ccc(C#N)cc1C)C1CC1 ZINC000186324150 386703510 /nfs/dbraw/zinc/70/35/10/386703510.db2.gz AEYJGSATOYFPOU-OAHLLOKOSA-N 0 3 244.338 2.381 20 30 BEEDHN CCC[C@H](NC(=O)C(C)C#N)C1CCC1 ZINC000325227257 386766012 /nfs/dbraw/zinc/76/60/12/386766012.db2.gz SLTXQLREFKNITC-ONGXEEELSA-N 0 3 208.305 2.231 20 30 BEEDHN CN(CCOCC1CC1)Cc1cccc(C#N)c1 ZINC000088077762 386766488 /nfs/dbraw/zinc/76/64/88/386766488.db2.gz DEFPBJVNBZVANP-UHFFFAOYSA-N 0 3 244.338 2.417 20 30 BEEDHN C=C(C)CNCc1cccc2c1OCCO2 ZINC000167453382 386773891 /nfs/dbraw/zinc/77/38/91/386773891.db2.gz DSWLRRZGRQOAPL-UHFFFAOYSA-N 0 3 219.284 2.124 20 30 BEEDHN COC[C@H](C)N(C)Cc1ccc(OC)c(C#N)c1 ZINC000087833257 386781956 /nfs/dbraw/zinc/78/19/56/386781956.db2.gz JYSTUQHQGHHOAF-NSHDSACASA-N 0 3 248.326 2.034 20 30 BEEDHN CC(C#N)C(=O)NC1CCc2ccccc2CC1 ZINC000334759076 386817267 /nfs/dbraw/zinc/81/72/67/386817267.db2.gz ZFDLEFCGFWERSE-NSHDSACASA-N 0 3 242.322 2.210 20 30 BEEDHN CC(C#N)C(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000334840146 386884714 /nfs/dbraw/zinc/88/47/14/386884714.db2.gz XQAALPMTSQCTEV-ZJUUUORDSA-N 0 3 208.305 2.041 20 30 BEEDHN CO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1F ZINC000050373702 387043339 /nfs/dbraw/zinc/04/33/39/387043339.db2.gz HUTAUTMNMQLHAP-ZIAGYGMSSA-N 0 3 248.301 2.354 20 30 BEEDHN CO[C@@H]1CCC[C@H]1NCc1cc(C#N)ccc1F ZINC000050373706 387043368 /nfs/dbraw/zinc/04/33/68/387043368.db2.gz FHHGOMHEOLBSOC-ZIAGYGMSSA-N 0 3 248.301 2.354 20 30 BEEDHN N#Cc1ccc(CNCCOCC2CC2)cc1F ZINC000404059933 387044038 /nfs/dbraw/zinc/04/40/38/387044038.db2.gz HTZMWWCLKRCSHU-UHFFFAOYSA-N 0 3 248.301 2.214 20 30 BEEDHN Cc1cc(C)c(C#N)c(NC2CCN(C)CC2)n1 ZINC000035121578 387055342 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C=C[C@@H]1CCCCN1CCOCC1CC1 ZINC000489408259 388211406 /nfs/dbraw/zinc/21/14/06/388211406.db2.gz RCDOJFPCTWHZPE-CYBMUJFWSA-N 0 3 209.333 2.454 20 30 BEEDHN C=C[C@H]1CCCCN1C[C@@H](O)CC(F)(F)F ZINC000489473924 388216881 /nfs/dbraw/zinc/21/68/81/388216881.db2.gz JKTQILVOGFBIFX-UWVGGRQHSA-N 0 3 237.265 2.340 20 30 BEEDHN C=C[C@H]1CCCCN1C[C@@H](O)COCC(C)C ZINC000489492906 388218089 /nfs/dbraw/zinc/21/80/89/388218089.db2.gz ZKPNQUIBENQAPL-UONOGXRCSA-N 0 3 241.375 2.060 20 30 BEEDHN C=C[C@H]1CCCCN1CCCc1nc(C)no1 ZINC000489498453 388218728 /nfs/dbraw/zinc/21/87/28/388218728.db2.gz QKNRSZUJLCEABN-LBPRGKRZSA-N 0 3 235.331 2.351 20 30 BEEDHN COC[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000037196340 388220053 /nfs/dbraw/zinc/22/00/53/388220053.db2.gz USEWUJSXLXQVIY-GHMZBOCLSA-N 0 3 218.300 2.244 20 30 BEEDHN COC[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000037196339 388220265 /nfs/dbraw/zinc/22/02/65/388220265.db2.gz USEWUJSXLXQVIY-WDEREUQCSA-N 0 3 218.300 2.244 20 30 BEEDHN C=C(CC)CNC(=O)[C@H](CC)N(CC)CC ZINC000456809806 388223616 /nfs/dbraw/zinc/22/36/16/388223616.db2.gz CKPWHTYWOWRUGQ-LBPRGKRZSA-N 0 3 226.364 2.189 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)o1 ZINC000449547849 388229861 /nfs/dbraw/zinc/22/98/61/388229861.db2.gz KEKZFDLRYOVKEA-OLZOCXBDSA-N 0 3 221.300 2.411 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccnn1C(C)C ZINC000449548503 388229970 /nfs/dbraw/zinc/22/99/70/388229970.db2.gz OAAUEADTOQHCOO-KGLIPLIRSA-N 0 3 249.358 2.287 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)s1 ZINC000449548718 388230023 /nfs/dbraw/zinc/23/00/23/388230023.db2.gz PZHOKROBPSTQPY-OLZOCXBDSA-N 0 3 248.351 2.443 20 30 BEEDHN C=C(C)CCN1CCC(C#N)(COC)CC1 ZINC000341992828 256631532 /nfs/dbraw/zinc/63/15/32/256631532.db2.gz PXUNAYKTEBUMQT-UHFFFAOYSA-N 0 3 222.332 2.205 20 30 BEEDHN C=CCOCCN1CCSC[C@H]1C1CC1 ZINC000451655411 388288752 /nfs/dbraw/zinc/28/87/52/388288752.db2.gz QRTHSSAJTYSVPF-LBPRGKRZSA-N 0 3 227.373 2.016 20 30 BEEDHN C#C[C@@H](C)N(C)CCc1nc2ccccc2n1C ZINC000491372188 388289087 /nfs/dbraw/zinc/28/90/87/388289087.db2.gz IGNKXRXGUYEFBJ-GFCCVEGCSA-N 0 3 241.338 2.069 20 30 BEEDHN N#CC1(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CCC1 ZINC000451696172 388290487 /nfs/dbraw/zinc/29/04/87/388290487.db2.gz FWHZUAWPXBYWMY-MCIONIFRSA-N 0 3 248.370 2.163 20 30 BEEDHN C=CCCCN1CCN([C@H](C)CC)CC1 ZINC000451831044 388298961 /nfs/dbraw/zinc/29/89/61/388298961.db2.gz ZFTYRZMRTMJPCI-CYBMUJFWSA-N 0 3 210.365 2.369 20 30 BEEDHN C=CCCCN1CCN([C@@H](C)CC)CC1 ZINC000451831045 388299219 /nfs/dbraw/zinc/29/92/19/388299219.db2.gz ZFTYRZMRTMJPCI-ZDUSSCGKSA-N 0 3 210.365 2.369 20 30 BEEDHN C#C[C@H](NC[C@H](O)[C@H](C)c1ccccc1)C(C)C ZINC000491620719 388305311 /nfs/dbraw/zinc/30/53/11/388305311.db2.gz DZGAMHGUUOPXEE-KBMXLJTQSA-N 0 3 245.366 2.398 20 30 BEEDHN C#C[C@H](NC[C@@H](O)[C@H](C)c1ccccc1)C(C)C ZINC000491620723 388305341 /nfs/dbraw/zinc/30/53/41/388305341.db2.gz DZGAMHGUUOPXEE-VNQPRFMTSA-N 0 3 245.366 2.398 20 30 BEEDHN C#CCN1CCC(CCCn2ccnc2)CC1 ZINC000491631000 388306415 /nfs/dbraw/zinc/30/64/15/388306415.db2.gz PSVZQQMIOGKZPE-UHFFFAOYSA-N 0 3 231.343 2.009 20 30 BEEDHN C#C[C@H](CC)NCc1ccc(OCCOC)cc1 ZINC000491653170 388308141 /nfs/dbraw/zinc/30/81/41/388308141.db2.gz CPOSMKDKCCHGMK-CQSZACIVSA-N 0 3 247.338 2.213 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1ccc(OCC#N)cc1 ZINC000491657732 388308471 /nfs/dbraw/zinc/30/84/71/388308471.db2.gz JKQKGBFQOSDPFT-GFCCVEGCSA-N 0 3 228.295 2.042 20 30 BEEDHN C#C[C@H](C)N(C)CCOc1ccccc1OCC ZINC000491693787 388311327 /nfs/dbraw/zinc/31/13/27/388311327.db2.gz UQCGHGFIBMGXLE-ZDUSSCGKSA-N 0 3 247.338 2.418 20 30 BEEDHN C#C[C@@H](C)N(C)CCOc1ccccc1OCC ZINC000491693785 388311401 /nfs/dbraw/zinc/31/14/01/388311401.db2.gz UQCGHGFIBMGXLE-CYBMUJFWSA-N 0 3 247.338 2.418 20 30 BEEDHN C#C[C@H](CC)NCc1cnc2ccc(Cl)cn12 ZINC000491697213 388312050 /nfs/dbraw/zinc/31/20/50/388312050.db2.gz ZRMVOMRGVMFXMG-LLVKDONJSA-N 0 3 247.729 2.489 20 30 BEEDHN C#C[C@H](CCC)NC(=O)[C@@H](CC)N(CC)CC ZINC000491697922 388312157 /nfs/dbraw/zinc/31/21/57/388312157.db2.gz RWBXRPMWHOKPME-CHWSQXEVSA-N 0 3 238.375 2.025 20 30 BEEDHN C#CCN(CC)Cc1ccc(OC)c(OC)c1C ZINC000491699152 388312388 /nfs/dbraw/zinc/31/23/88/388312388.db2.gz BFUPGVVTQMRHMY-UHFFFAOYSA-N 0 3 247.338 2.467 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1ccc2c(c1)ncn2C ZINC000491746227 388317216 /nfs/dbraw/zinc/31/72/16/388317216.db2.gz YJRGEJBWKDXSRV-LLVKDONJSA-N 0 3 227.311 2.027 20 30 BEEDHN C#CCN(C)CC/C=C/c1cncc(OC)c1 ZINC000491750436 388317701 /nfs/dbraw/zinc/31/77/01/388317701.db2.gz SBSOIDOMDWJMIH-FNORWQNLSA-N 0 3 230.311 2.059 20 30 BEEDHN C#C[C@@H](C)N(C)CCc1cccc(F)c1F ZINC000491751115 388317885 /nfs/dbraw/zinc/31/78/85/388317885.db2.gz JTYFYWCHZOWHHE-SNVBAGLBSA-N 0 3 223.266 2.461 20 30 BEEDHN C#CC(C)(C)N(C)C[C@H](O)CCC(C)C ZINC000491771498 388319295 /nfs/dbraw/zinc/31/92/95/388319295.db2.gz RSERBGJNPXLTOP-GFCCVEGCSA-N 0 3 211.349 2.127 20 30 BEEDHN C#C[C@@H](C)N(C)CCc1ccccc1F ZINC000491781092 388320374 /nfs/dbraw/zinc/32/03/74/388320374.db2.gz FUIZHBPQSJOGFA-LLVKDONJSA-N 0 3 205.276 2.322 20 30 BEEDHN C#C[C@H](C)N(C)CCOc1cccc(OC)c1 ZINC000491788064 388321140 /nfs/dbraw/zinc/32/11/40/388321140.db2.gz RVOYLDBDENDIBY-LBPRGKRZSA-N 0 3 233.311 2.028 20 30 BEEDHN C#CCN(CCCO[C@@H]1CCCCO1)C1CC1 ZINC000491804567 388321730 /nfs/dbraw/zinc/32/17/30/388321730.db2.gz LVRAXYAOCCJYOY-CQSZACIVSA-N 0 3 237.343 2.017 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1ccn(CCC)c1 ZINC000491805838 388321792 /nfs/dbraw/zinc/32/17/92/388321792.db2.gz PKVSCFWKUIFPEM-GFCCVEGCSA-N 0 3 204.317 2.352 20 30 BEEDHN C#C[C@H](CC)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000491818048 388323659 /nfs/dbraw/zinc/32/36/59/388323659.db2.gz WUQCDMHGGOXNEU-GXTWGEPZSA-N 0 3 242.322 2.479 20 30 BEEDHN C=C(C)CN1CCC(N(C)C(=O)OCC)CC1 ZINC000491114371 388270179 /nfs/dbraw/zinc/27/01/79/388270179.db2.gz JOMXSRAERPZSQA-UHFFFAOYSA-N 0 3 240.347 2.115 20 30 BEEDHN C=CCCCNC(C)(C)c1nnc2n1CCCC2 ZINC000451404350 388270450 /nfs/dbraw/zinc/27/04/50/388270450.db2.gz OAQDGVWBAPSEJB-UHFFFAOYSA-N 0 3 248.374 2.405 20 30 BEEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1CC1 ZINC000193488423 388358292 /nfs/dbraw/zinc/35/82/92/388358292.db2.gz CUYWEBOPEJKQFO-LBPRGKRZSA-N 0 3 238.375 2.141 20 30 BEEDHN C[C@H](NCc1ccccc1C#N)[C@@H]1CCOC1 ZINC000162915966 388366026 /nfs/dbraw/zinc/36/60/26/388366026.db2.gz JVNGXKTVLLQFSA-SMDDNHRTSA-N 0 3 230.311 2.073 20 30 BEEDHN COC[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000271169592 388375197 /nfs/dbraw/zinc/37/51/97/388375197.db2.gz IODNLBOCXWVCNJ-JTQLQIEISA-N 0 3 236.340 2.088 20 30 BEEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@@H]1CCOC1 ZINC000163378435 388377703 /nfs/dbraw/zinc/37/77/03/388377703.db2.gz LFWVKSGDSJWBBC-CMPLNLGQSA-N 0 3 248.301 2.212 20 30 BEEDHN CCC[C@H](CNCc1cccc(C#N)c1)OC ZINC000293818869 388392172 /nfs/dbraw/zinc/39/21/72/388392172.db2.gz ZNUASZZXCCVTRF-CQSZACIVSA-N 0 3 232.327 2.463 20 30 BEEDHN C[C@@H]1OCC[C@@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000272310341 388402765 /nfs/dbraw/zinc/40/27/65/388402765.db2.gz SXAQQNIHEMBRFA-FZMZJTMJSA-N 0 3 242.322 2.314 20 30 BEEDHN CC(C)(C)C[C@@H](O)CNCc1ccc(C#N)o1 ZINC000174406409 388440577 /nfs/dbraw/zinc/44/05/77/388440577.db2.gz RYZYSIVLYZVXQH-SNVBAGLBSA-N 0 3 236.315 2.038 20 30 BEEDHN C=C(C)[C@H](CO)N(CC)Cc1ccc(OC)cc1 ZINC000649249359 388469240 /nfs/dbraw/zinc/46/92/40/388469240.db2.gz XBVMGQGIFSSDFV-HNNXBMFYSA-N 0 3 249.354 2.454 20 30 BEEDHN CC(C)(C)C[C@H](O)CNCc1cccc(C#N)c1 ZINC000172269431 388408988 /nfs/dbraw/zinc/40/89/88/388408988.db2.gz FSQJXUJNTFNYLC-AWEZNQCLSA-N 0 3 246.354 2.445 20 30 BEEDHN CC(C)(C)C[C@@H](O)CNCc1cccc(C#N)c1 ZINC000172269433 388409075 /nfs/dbraw/zinc/40/90/75/388409075.db2.gz FSQJXUJNTFNYLC-CQSZACIVSA-N 0 3 246.354 2.445 20 30 BEEDHN CSC1(CNCc2ccc(C#N)o2)CC1 ZINC000193657598 388411413 /nfs/dbraw/zinc/41/14/13/388411413.db2.gz BHRMQKBKMKXTLS-UHFFFAOYSA-N 0 3 222.313 2.136 20 30 BEEDHN Cc1cc(CNCC2=CCOCC2)ccc1C#N ZINC000449403739 256782432 /nfs/dbraw/zinc/78/24/32/256782432.db2.gz RJGGSDODQYVOSD-UHFFFAOYSA-N 0 3 242.322 2.303 20 30 BEEDHN C=C(C)CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178512875 388501560 /nfs/dbraw/zinc/50/15/60/388501560.db2.gz BWLFMPYDXQEHTN-LLVKDONJSA-N 0 3 225.332 2.226 20 30 BEEDHN CC(C#N)C(=O)NCC(C)(C)C1=CCCC1 ZINC000312290023 388511276 /nfs/dbraw/zinc/51/12/76/388511276.db2.gz WGFPTIJEBVSKKS-JTQLQIEISA-N 0 3 220.316 2.399 20 30 BEEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(C)s1 ZINC000649283006 388525713 /nfs/dbraw/zinc/52/57/13/388525713.db2.gz CEYBQVYYNFLJHD-LBPRGKRZSA-N 0 3 225.357 2.425 20 30 BEEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000185667748 388590153 /nfs/dbraw/zinc/59/01/53/388590153.db2.gz GQFOOKXLENYVOO-QWHCGFSZSA-N 0 3 238.375 2.141 20 30 BEEDHN C[C@@H](Nc1ccc(C#N)cn1)C1=CCN(C)CC1 ZINC000273054937 388590919 /nfs/dbraw/zinc/59/09/19/388590919.db2.gz XWFAXLYRSSVLPQ-LLVKDONJSA-N 0 3 242.326 2.016 20 30 BEEDHN C[C@@H](O)CCCN(C)Cc1ccc(C#N)cc1 ZINC000354872275 388601769 /nfs/dbraw/zinc/60/17/69/388601769.db2.gz POONOTQPWFYPHN-GFCCVEGCSA-N 0 3 232.327 2.151 20 30 BEEDHN CCC[C@@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000296647889 388601874 /nfs/dbraw/zinc/60/18/74/388601874.db2.gz XDXBHIGNCRXQLR-CQSZACIVSA-N 0 3 232.327 2.151 20 30 BEEDHN CCC[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000296647878 388601912 /nfs/dbraw/zinc/60/19/12/388601912.db2.gz XDXBHIGNCRXQLR-AWEZNQCLSA-N 0 3 232.327 2.151 20 30 BEEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N1CCCC1 ZINC000550345405 388606853 /nfs/dbraw/zinc/60/68/53/388606853.db2.gz ZHFRZBGYRMZCRE-LBPRGKRZSA-N 0 3 238.375 2.189 20 30 BEEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000130698062 388566229 /nfs/dbraw/zinc/56/62/29/388566229.db2.gz RPCUGXWTKZQMPD-MFKMUULPSA-N 0 3 248.301 2.212 20 30 BEEDHN CSC[C@H](C)NCc1ccc(C#N)cc1 ZINC000130700322 388566927 /nfs/dbraw/zinc/56/69/27/388566927.db2.gz WFOMDWLLJMWJET-JTQLQIEISA-N 0 3 220.341 2.399 20 30 BEEDHN C=C(CC)CN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528791801 388573943 /nfs/dbraw/zinc/57/39/43/388573943.db2.gz GQZUQXWGCIIISM-GFCCVEGCSA-N 0 3 233.315 2.285 20 30 BEEDHN C[C@@]1(CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000519679191 388665805 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ZINC000677479273 488043043 /nfs/dbraw/zinc/04/30/43/488043043.db2.gz IADKWECPXSELMK-AWEZNQCLSA-N 0 3 249.354 2.107 20 30 BEEDHN C=C(C)[C@@H](CO)N(C)CCc1ccccc1OC ZINC000677479274 488043069 /nfs/dbraw/zinc/04/30/69/488043069.db2.gz IADKWECPXSELMK-CQSZACIVSA-N 0 3 249.354 2.107 20 30 BEEDHN C=C(C)[C@H](CO)N(C)CCOc1ccc(C)cc1 ZINC000677475904 488045851 /nfs/dbraw/zinc/04/58/51/488045851.db2.gz ILLGLVXYQHJTIO-HNNXBMFYSA-N 0 3 249.354 2.243 20 30 BEEDHN C=C(C)[C@H](CO)N(C)CCc1ccc(F)cc1 ZINC000677478115 488047947 /nfs/dbraw/zinc/04/79/47/488047947.db2.gz NTXVIWGHPISKJV-AWEZNQCLSA-N 0 3 237.318 2.237 20 30 BEEDHN C=CCC[C@@H](O)CN1CC[C@H](C(F)(F)F)C1 ZINC000677716023 488099147 /nfs/dbraw/zinc/09/91/47/488099147.db2.gz IVSOYMLPAGIDMP-VHSXEESVSA-N 0 3 237.265 2.198 20 30 BEEDHN C=CC[C@@H](C)NC(=O)Nc1cccc(CN)c1 ZINC000667727572 488103338 /nfs/dbraw/zinc/10/33/38/488103338.db2.gz BTUIARQKCBABHE-SNVBAGLBSA-N 0 3 233.315 2.231 20 30 BEEDHN C(#Cc1ccccc1)CN1CC[C@H]2COC[C@@H]2C1 ZINC000662029865 488113622 /nfs/dbraw/zinc/11/36/22/488113622.db2.gz CHWSGKFAHIDNOE-HOTGVXAUSA-N 0 3 241.334 2.006 20 30 BEEDHN COCC#CCN1CC[C@@H](Cc2ccccc2)C1 ZINC000677817514 488131018 /nfs/dbraw/zinc/13/10/18/488131018.db2.gz NCFDLXJFENRGFT-INIZCTEOSA-N 0 3 243.350 2.201 20 30 BEEDHN COCC#CCN1CC[C@H](c2ccccc2C)C1 ZINC000677818451 488133480 /nfs/dbraw/zinc/13/34/80/488133480.db2.gz OHYLYDKBDNNUHX-HNNXBMFYSA-N 0 3 243.350 2.434 20 30 BEEDHN C=C(C)[C@H](CO)N1CCc2cccc(C)c2C1 ZINC000683226566 488133621 /nfs/dbraw/zinc/13/36/21/488133621.db2.gz IFCVWWIZEQSYHM-HNNXBMFYSA-N 0 3 231.339 2.290 20 30 BEEDHN C=CCC[C@H](O)CN[C@H](C)c1cnccc1C ZINC000679943505 487499874 /nfs/dbraw/zinc/49/98/74/487499874.db2.gz WKDNQDHYWBHKSZ-OLZOCXBDSA-N 0 3 234.343 2.368 20 30 BEEDHN C=CCCNCc1cc(OC)ccc1OC ZINC000168508817 487514461 /nfs/dbraw/zinc/51/44/61/487514461.db2.gz HVBSVWPHBBJHLT-UHFFFAOYSA-N 0 3 221.300 2.370 20 30 BEEDHN COCC#CCN1CC[C@](C)(c2ccccc2)C1 ZINC000677819934 487516922 /nfs/dbraw/zinc/51/69/22/487516922.db2.gz DIXBQKUTGZBTLY-INIZCTEOSA-N 0 3 243.350 2.300 20 30 BEEDHN C=CCCNCc1cnn(C(C)(C)C)c1 ZINC000168530524 487517323 /nfs/dbraw/zinc/51/73/23/487517323.db2.gz RIZOJVKKEKMWFQ-UHFFFAOYSA-N 0 3 207.321 2.304 20 30 BEEDHN COCC#CCN1C[C@H](C)CC(C)(C)C1 ZINC000680091772 487534939 /nfs/dbraw/zinc/53/49/39/487534939.db2.gz OIDPYVNLFVBBNJ-GFCCVEGCSA-N 0 3 209.333 2.004 20 30 BEEDHN CCC#C[C@@H](C)N1CC[C@H](n2cc(C)cn2)C1 ZINC000685611857 487564743 /nfs/dbraw/zinc/56/47/43/487564743.db2.gz LXLAVDGYTFKTNQ-KGLIPLIRSA-N 0 3 231.343 2.240 20 30 BEEDHN C=C(C)CN(C)Cc1ccnn1-c1ccncc1 ZINC000667943349 488164614 /nfs/dbraw/zinc/16/46/14/488164614.db2.gz KTSOFJAULKDGHB-UHFFFAOYSA-N 0 3 242.326 2.275 20 30 BEEDHN C=C(C)[C@@H](CO)N1CC[C@H](CC(F)(F)F)C1 ZINC000683524755 488184921 /nfs/dbraw/zinc/18/49/21/488184921.db2.gz LKSPIONXTZCFHU-NXEZZACHSA-N 0 3 237.265 2.198 20 30 BEEDHN C=C(C)[C@@H](CO)N1CCc2ccsc2C1 ZINC000678049651 488186575 /nfs/dbraw/zinc/18/65/75/488186575.db2.gz OBOMTTVPNJNUJJ-LLVKDONJSA-N 0 3 223.341 2.043 20 30 BEEDHN C=CCCCCCN(CC(N)=O)C1CCCC1 ZINC000683780624 488219881 /nfs/dbraw/zinc/21/98/81/488219881.db2.gz MOSOCIUMPVLGRA-UHFFFAOYSA-N 0 3 238.375 2.463 20 30 BEEDHN CCC#C[C@@H](C)N1CCC(C)(OC)CC1 ZINC000678797162 488284415 /nfs/dbraw/zinc/28/44/15/488284415.db2.gz BKRFQOXUIZRSNS-GFCCVEGCSA-N 0 3 209.333 2.289 20 30 BEEDHN C=CCOCCN[C@@H](C)c1ncccc1CC ZINC000679576109 488358976 /nfs/dbraw/zinc/35/89/76/488358976.db2.gz HTURUYITNSQBCU-LBPRGKRZSA-N 0 3 234.343 2.497 20 30 BEEDHN COCC#CCN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000679835817 488367637 /nfs/dbraw/zinc/36/76/37/488367637.db2.gz SJSFJWPMTPTMHH-KBPBESRZSA-N 0 3 221.344 2.148 20 30 BEEDHN C=CCOCCNCc1ccc(OCC)cc1 ZINC000301762396 490584195 /nfs/dbraw/zinc/58/41/95/490584195.db2.gz QVHHXFVQKZUJSX-UHFFFAOYSA-N 0 3 235.327 2.378 20 30 BEEDHN Cc1cc(CN2CC[C@@H](O)[C@H](C)C2)ccc1C#N ZINC000335775877 491125325 /nfs/dbraw/zinc/12/53/25/491125325.db2.gz DRVUPOPNDDMCMK-IUODEOHRSA-N 0 3 244.338 2.069 20 30 BEEDHN C=CCC[C@@H](CCC)NCc1cn(C)nn1 ZINC000310026854 491160286 /nfs/dbraw/zinc/16/02/86/491160286.db2.gz PUEYXDHXYXMWFX-LLVKDONJSA-N 0 3 222.336 2.040 20 30 BEEDHN C=CCOCCN[C@@H]1CCCc2cccnc21 ZINC000310172244 491160655 /nfs/dbraw/zinc/16/06/55/491160655.db2.gz PYIDQOVACXHBNX-CYBMUJFWSA-N 0 3 232.327 2.251 20 30 BEEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000481791629 534285166 /nfs/dbraw/zinc/28/51/66/534285166.db2.gz FVVPXMVSRODPOX-IRUJWGPZSA-N 0 3 246.285 2.348 20 30 BEEDHN C=CC[C@@H](CO)NCc1coc2ccccc12 ZINC000184285329 534317077 /nfs/dbraw/zinc/31/70/77/534317077.db2.gz IGMLXVZJJXVEOM-LBPRGKRZSA-N 0 3 231.295 2.459 20 30 BEEDHN C=C(C)CN1CCC[C@H]1CN(C(C)=O)C1CC1 ZINC000328622636 518604036 /nfs/dbraw/zinc/60/40/36/518604036.db2.gz BKKZKAMROOGTAJ-AWEZNQCLSA-N 0 3 236.359 2.038 20 30 BEEDHN C=C(CC)CN1CCCN(CC(F)F)CC1 ZINC000358746782 534385387 /nfs/dbraw/zinc/38/53/87/534385387.db2.gz QXJCAXWOAWOXMY-UHFFFAOYSA-N 0 3 232.318 2.225 20 30 BEEDHN C=C(CC)CN1CCCN(C(=O)C(C)C)CC1 ZINC000358516213 534385727 /nfs/dbraw/zinc/38/57/27/534385727.db2.gz YWGRJFZMHAVOEH-UHFFFAOYSA-N 0 3 238.375 2.143 20 30 BEEDHN C=C(CC)CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000358500830 534389112 /nfs/dbraw/zinc/38/91/12/534389112.db2.gz QJVIPHKKMZNDTM-VHSXEESVSA-N 0 3 237.265 2.340 20 30 BEEDHN C=C(CC)CN1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000355379986 534395014 /nfs/dbraw/zinc/39/50/14/534395014.db2.gz NDEDHOQEUFHBLH-NEPJUHHUSA-N 0 3 225.332 2.084 20 30 BEEDHN C=C(CC)CN1CC[C@H](n2cc(C)cn2)C1 ZINC000352410587 534400341 /nfs/dbraw/zinc/40/03/41/534400341.db2.gz RGZKPTNXRSOXCJ-ZDUSSCGKSA-N 0 3 219.332 2.405 20 30 BEEDHN C=C(CC)CN1CC[C@H](OCCOCC)C1 ZINC000358621663 534398452 /nfs/dbraw/zinc/39/84/52/534398452.db2.gz ZACLUOUWRSCISH-ZDUSSCGKSA-N 0 3 227.348 2.080 20 30 BEEDHN C=C(Cl)CN1CC[C@@H](C2CCOCC2)C1 ZINC000371066489 534439674 /nfs/dbraw/zinc/43/96/74/534439674.db2.gz SGEHWWMTWCJTJX-GFCCVEGCSA-N 0 3 229.751 2.487 20 30 BEEDHN C=C(Cl)CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000261599722 534446467 /nfs/dbraw/zinc/44/64/67/534446467.db2.gz ZZASABPVEACAEH-NSHDSACASA-N 0 3 244.766 2.153 20 30 BEEDHN C=C1CCN(C(=O)[C@H](CC)N(CC)CC)CC1 ZINC000345266688 534456215 /nfs/dbraw/zinc/45/62/15/534456215.db2.gz WICTUOHIJJDSDF-ZDUSSCGKSA-N 0 3 238.375 2.285 20 30 BEEDHN C=C1CCN(CCC(=O)N2CCC[C@H]2C)CC1 ZINC000336403427 534466515 /nfs/dbraw/zinc/46/65/15/534466515.db2.gz XJDKSQBUHYQZPD-CYBMUJFWSA-N 0 3 236.359 2.039 20 30 BEEDHN C=C[C@@H](CO)NCc1cccc(OCCC)c1 ZINC000352447725 534539190 /nfs/dbraw/zinc/53/91/90/534539190.db2.gz NVEMWTSHCPQJGS-ZDUSSCGKSA-N 0 3 235.327 2.112 20 30 BEEDHN C=C[C@@H](CO)NCc1ccc(OCC2CC2)cc1 ZINC000352473467 534539303 /nfs/dbraw/zinc/53/93/03/534539303.db2.gz VBIJTYOTOTVTEI-AWEZNQCLSA-N 0 3 247.338 2.112 20 30 BEEDHN C=C[C@@H]1CCCCN1CCc1cnn(C)c1 ZINC000348166396 534558970 /nfs/dbraw/zinc/55/89/70/534558970.db2.gz BQRBDDZBUAFMOE-CYBMUJFWSA-N 0 3 219.332 2.003 20 30 BEEDHN C=CCCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000175528892 534652540 /nfs/dbraw/zinc/65/25/40/534652540.db2.gz NVICTOJLGIGMPV-CYBMUJFWSA-N 0 3 236.359 2.039 20 30 BEEDHN C=C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000362611690 534661806 /nfs/dbraw/zinc/66/18/06/534661806.db2.gz DXYIOLCEIOODBX-NSHDSACASA-N 0 3 232.327 2.053 20 30 BEEDHN C=CCCCCN[C@H]1CCn2ccnc21 ZINC000294245177 534694821 /nfs/dbraw/zinc/69/48/21/534694821.db2.gz WHSYRVYZZIOBSQ-NSHDSACASA-N 0 3 205.305 2.274 20 30 BEEDHN C=CCCCN1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000369555375 534722360 /nfs/dbraw/zinc/72/23/60/534722360.db2.gz BTMDFKQJWJWLDB-ZIAGYGMSSA-N 0 3 239.359 2.223 20 30 BEEDHN C=CCCCN1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000360558150 534719519 /nfs/dbraw/zinc/71/95/19/534719519.db2.gz YQDPXUPHGVUZHI-NWDGAFQWSA-N 0 3 225.332 2.226 20 30 BEEDHN C=CCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248888364 534722330 /nfs/dbraw/zinc/72/23/30/534722330.db2.gz YERPFRJEJIBGPL-AVGNSLFASA-N 0 3 237.343 2.226 20 30 BEEDHN C=CCCC[C@H](C)N1CCO[C@@H](COC)C1 ZINC000340905321 534755843 /nfs/dbraw/zinc/75/58/43/534755843.db2.gz YKKFSUJHKQQBJL-QWHCGFSZSA-N 0 3 227.348 2.078 20 30 BEEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000342719378 534770135 /nfs/dbraw/zinc/77/01/35/534770135.db2.gz ISZOCIIGMAMANL-NEPJUHHUSA-N 0 3 226.364 2.188 20 30 BEEDHN C=CCN(C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000121030473 534815888 /nfs/dbraw/zinc/81/58/88/534815888.db2.gz BHDZJBMKJUBWGO-NEPJUHHUSA-N 0 3 209.333 2.452 20 30 BEEDHN C=CCN(CC=C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000120145064 534822386 /nfs/dbraw/zinc/82/23/86/534822386.db2.gz YMNGOYQUPAKCSX-CHWSQXEVSA-N 0 3 236.359 2.060 20 30 BEEDHN C=CCN1CCNC[C@@H]1c1ccccc1Cl ZINC000261734182 534849808 /nfs/dbraw/zinc/84/98/08/534849808.db2.gz MCBSTCLJEPKQSA-CYBMUJFWSA-N 0 3 236.746 2.472 20 30 BEEDHN C=CCN1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261739309 534848835 /nfs/dbraw/zinc/84/88/35/534848835.db2.gz KLKCLGRBMJUFMB-ZDUSSCGKSA-N 0 3 236.746 2.472 20 30 BEEDHN C=CCNC(=O)CN[C@H](C)c1cc(C)cc(C)c1 ZINC000182902194 534859158 /nfs/dbraw/zinc/85/91/58/534859158.db2.gz BKUWGCNUTBRBOL-CYBMUJFWSA-N 0 3 246.354 2.256 20 30 BEEDHN C=CCNC(=O)CN[C@H](C)c1ccc(C)cc1C ZINC000182617288 534859272 /nfs/dbraw/zinc/85/92/72/534859272.db2.gz WBPHUEJMUIFURL-CYBMUJFWSA-N 0 3 246.354 2.256 20 30 BEEDHN C=CCOCCCN(C)Cc1ccco1 ZINC000347966258 534873357 /nfs/dbraw/zinc/87/33/57/534873357.db2.gz MGCJSHMYGSHFDH-UHFFFAOYSA-N 0 3 209.289 2.304 20 30 BEEDHN C=CCOCCCN(CC)Cc1ccncc1 ZINC000348059138 534874885 /nfs/dbraw/zinc/87/48/85/534874885.db2.gz VXNGJMSCXYJZLA-UHFFFAOYSA-N 0 3 234.343 2.496 20 30 BEEDHN C=CCOCCCN[C@H](COC)c1ccco1 ZINC000348047345 534876263 /nfs/dbraw/zinc/87/62/63/534876263.db2.gz KFKQVNDXOPERKW-GFCCVEGCSA-N 0 3 239.315 2.149 20 30 BEEDHN C=CCOCCN1CC(C)(C)OC(C)(C)C1 ZINC000339113701 534877565 /nfs/dbraw/zinc/87/75/65/534877565.db2.gz JVDIRVRTIRUJOR-UHFFFAOYSA-N 0 3 227.348 2.078 20 30 BEEDHN C=CCOCCN1CCC(OCCCC)CC1 ZINC000339011219 534878234 /nfs/dbraw/zinc/87/82/34/534878234.db2.gz UFDOMBUGLWBRLK-UHFFFAOYSA-N 0 3 241.375 2.470 20 30 BEEDHN C=CCOCCN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000339207947 534879536 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229.751 2.126 20 30 BEEDHN C=C(Cl)CN[C@H](C)C1(OC)CCC1 ZINC000839655940 585333632 /nfs/dbraw/zinc/33/36/32/585333632.db2.gz KVHFNBMCLRPBIO-SECBINFHSA-N 0 3 203.713 2.286 20 30 BEEDHN C[C@@H]1C[C@@H]1C=Nn1cnnc1-c1ccccc1 ZINC000758374250 585355148 /nfs/dbraw/zinc/35/51/48/585355148.db2.gz PRTMONRNGHKGBH-ZYHUDNBSSA-N 0 3 226.283 2.435 20 30 BEEDHN CC(C)[C@@H]1CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000759073427 585363855 /nfs/dbraw/zinc/36/38/55/585363855.db2.gz YMDQLVKMRPZOTQ-GJZGRUSLSA-N 0 3 244.338 2.322 20 30 BEEDHN CC(C)[C@H]1CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000759073423 585363938 /nfs/dbraw/zinc/36/39/38/585363938.db2.gz YMDQLVKMRPZOTQ-CABCVRRESA-N 0 3 244.338 2.322 20 30 BEEDHN C#CCCN1CCCO[C@H](c2ccccc2)C1 ZINC000760829281 585398170 /nfs/dbraw/zinc/39/81/70/585398170.db2.gz CFHJQPJJZCYVLN-HNNXBMFYSA-N 0 3 229.323 2.473 20 30 BEEDHN C#CCCN[C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000760859983 585399919 /nfs/dbraw/zinc/39/99/19/585399919.db2.gz JYRIINHZCMEKNO-JSGCOSHPSA-N 0 3 245.322 2.150 20 30 BEEDHN C#CCOCCN(C)Cc1ccc(CC)cc1 ZINC000761106984 585409669 /nfs/dbraw/zinc/40/96/69/585409669.db2.gz BEXDLUKOGCUDGB-UHFFFAOYSA-N 0 3 231.339 2.331 20 30 BEEDHN C#CCOCCN(C)Cc1cc(C)ccc1C ZINC000761107038 585410032 /nfs/dbraw/zinc/41/00/32/585410032.db2.gz CLAPJYRHWIYTQB-UHFFFAOYSA-N 0 3 231.339 2.385 20 30 BEEDHN C#CCOCCN(C)Cc1cccc(C)c1 ZINC000761110684 585410336 /nfs/dbraw/zinc/41/03/36/585410336.db2.gz UMFBYMYNWWNEIP-UHFFFAOYSA-N 0 3 217.312 2.077 20 30 BEEDHN C=C(CN(C)C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000763926403 585456992 /nfs/dbraw/zinc/45/69/92/585456992.db2.gz HEFLHGFTLXOBHD-UHFFFAOYSA-N 0 3 246.354 2.071 20 30 BEEDHN C=C(CN(C)C)C(=O)N[C@H](C)c1ccccc1C ZINC000763946677 585457490 /nfs/dbraw/zinc/45/74/90/585457490.db2.gz ZDACRPLRAHZLPC-CYBMUJFWSA-N 0 3 246.354 2.290 20 30 BEEDHN C#CCN(Cc1ccc(OCC)cc1O)C1CC1 ZINC000764675938 585470617 /nfs/dbraw/zinc/47/06/17/585470617.db2.gz DDSZEHCYDFDJDS-UHFFFAOYSA-N 0 3 245.322 2.389 20 30 BEEDHN COc1cccc(N=NC2CCN3CCC[C@H]23)c1 ZINC000765565102 585489913 /nfs/dbraw/zinc/48/99/13/585489913.db2.gz QPMMAKKDLGWFPV-CQSZACIVSA-N 0 3 245.326 2.331 20 30 BEEDHN COc1ccc(N=NC2CCN3CCC[C@@H]23)cc1 ZINC000765585084 585490517 /nfs/dbraw/zinc/49/05/17/585490517.db2.gz WQWOSZVHJHWTIP-AWEZNQCLSA-N 0 3 245.326 2.331 20 30 BEEDHN C=CCN(Cc1cnn(C)c1C)C(C)C ZINC000766021491 585496203 /nfs/dbraw/zinc/49/62/03/585496203.db2.gz AIPVGQAJVWWYAS-UHFFFAOYSA-N 0 3 207.321 2.125 20 30 BEEDHN C#CCCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000766903437 585510546 /nfs/dbraw/zinc/51/05/46/585510546.db2.gz RNZVHYMXHHPEOR-NSHDSACASA-N 0 3 249.276 2.443 20 30 BEEDHN C#CCCCN1CCN(C)CC12CCCCC2 ZINC000766906067 585511100 /nfs/dbraw/zinc/51/11/00/585511100.db2.gz PKQNUAMDHUSVQQ-UHFFFAOYSA-N 0 3 234.387 2.350 20 30 BEEDHN C#CCCCN1CCc2ccc(O)cc2C1 ZINC000766917180 585511516 /nfs/dbraw/zinc/51/15/16/585511516.db2.gz FLNQUUHKMHUXLM-UHFFFAOYSA-N 0 3 215.296 2.164 20 30 BEEDHN C#CCSCCNCc1ccc(C#N)c(C)c1 ZINC000767692046 585524835 /nfs/dbraw/zinc/52/48/35/585524835.db2.gz USQDCEFWUPXETD-UHFFFAOYSA-N 0 3 244.363 2.323 20 30 BEEDHN C=CCN(CC(OCC)OCC)C(C)C ZINC000767758622 585525700 /nfs/dbraw/zinc/52/57/00/585525700.db2.gz JQMILTLSYAZFFK-UHFFFAOYSA-N 0 3 215.337 2.282 20 30 BEEDHN C#CCN(CC)Cc1ccc(OC)c(C)c1 ZINC000769106589 585548945 /nfs/dbraw/zinc/54/89/45/585548945.db2.gz RLCFGOGRBIQYEJ-UHFFFAOYSA-N 0 3 217.312 2.459 20 30 BEEDHN C#C[C@H](C)N(C)CCOc1ccc(OCC)cc1 ZINC000769962170 585567504 /nfs/dbraw/zinc/56/75/04/585567504.db2.gz ZDNLBQDLGCOJNN-ZDUSSCGKSA-N 0 3 247.338 2.418 20 30 BEEDHN CCCCCCCC(=O)N[C@@H](C)CN(C)C ZINC000805425473 585591966 /nfs/dbraw/zinc/59/19/66/585591966.db2.gz VDXHIQPBQYMOTJ-LBPRGKRZSA-N 0 3 228.380 2.413 20 30 BEEDHN OC[C@H](NCC#Cc1ccccc1Cl)C1CC1 ZINC000771809965 585600800 /nfs/dbraw/zinc/60/08/00/585600800.db2.gz WQLGEQLVJRJRIV-AWEZNQCLSA-N 0 3 249.741 2.052 20 30 BEEDHN COc1ccc(CN[C@H](C)[C@@H](C)OC)cc1C#N ZINC000773084474 585630784 /nfs/dbraw/zinc/63/07/84/585630784.db2.gz SHHUVLDBSSHLMZ-GHMZBOCLSA-N 0 3 248.326 2.080 20 30 BEEDHN Cc1cc(N)cc(C)c1C=NOC1CCOCC1 ZINC000774456860 585659561 /nfs/dbraw/zinc/65/95/61/585659561.db2.gz HUNMWTZNHICJIT-UHFFFAOYSA-N 0 3 248.326 2.415 20 30 BEEDHN C#C[C@H](C)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000775178458 585672849 /nfs/dbraw/zinc/67/28/49/585672849.db2.gz KCTBWRQOIUXARS-NSHDSACASA-N 0 3 234.318 2.345 20 30 BEEDHN C#C[C@H](C)N(C)Cc1ccc(N(C)C)cc1 ZINC000775183059 585672954 /nfs/dbraw/zinc/67/29/54/585672954.db2.gz HIOJLUYCCALYTA-LBPRGKRZSA-N 0 3 216.328 2.206 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000775178456 585673024 /nfs/dbraw/zinc/67/30/24/585673024.db2.gz KCTBWRQOIUXARS-LLVKDONJSA-N 0 3 234.318 2.345 20 30 BEEDHN C#C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCCO1 ZINC000775571779 585680233 /nfs/dbraw/zinc/68/02/33/585680233.db2.gz LPGXXNTZDZXCMV-CORIIIEPSA-N 0 3 245.322 2.224 20 30 BEEDHN C#C[C@H](NCCCCC(F)(F)F)[C@H]1CCCO1 ZINC000775788111 585684861 /nfs/dbraw/zinc/68/48/61/585684861.db2.gz CLIKQIDIUFVGAR-WDEREUQCSA-N 0 3 249.276 2.489 20 30 BEEDHN C#C[C@H](NCCCc1ccccc1)[C@@H]1CCCO1 ZINC000775794844 585685151 /nfs/dbraw/zinc/68/51/51/585685151.db2.gz KOXJJJNVOFJIKR-HOTGVXAUSA-N 0 3 243.350 2.390 20 30 BEEDHN C#C[C@H](NCCCC(C)(C)C#N)[C@H]1CCCO1 ZINC000775801742 585685553 /nfs/dbraw/zinc/68/55/53/585685553.db2.gz YUGQHIVQJKEGRT-QWHCGFSZSA-N 0 3 234.343 2.087 20 30 BEEDHN CN(C)c1ccncc1C=NOC1CCCC1 ZINC000776187803 585692047 /nfs/dbraw/zinc/69/20/47/585692047.db2.gz ZEMREWVQXXUHSI-UHFFFAOYSA-N 0 3 233.315 2.441 20 30 BEEDHN C1CCC(ON=C2CN3CCC2CC3)CC1 ZINC000777457119 585712673 /nfs/dbraw/zinc/71/26/73/585712673.db2.gz LNKGMUHOKZSUOB-UHFFFAOYSA-N 0 3 222.332 2.417 20 30 BEEDHN C[C@@H]1CC(=NOCCC(F)(F)F)CCN1C ZINC000777457896 585713070 /nfs/dbraw/zinc/71/30/70/585713070.db2.gz BHBOINCHLZRWAA-MRVPVSSYSA-N 0 3 238.253 2.426 20 30 BEEDHN C#CCN(CC#C)C[C@@H]1CCc2ccccc2C1 ZINC000782042138 585807540 /nfs/dbraw/zinc/80/75/40/585807540.db2.gz MQPKJQBGZPVVLH-OAHLLOKOSA-N 0 3 237.346 2.360 20 30 BEEDHN FC(F)(F)[C@@H]1CCCC(=Nn2cnnc2)C1 ZINC000783511358 585835854 /nfs/dbraw/zinc/83/58/54/585835854.db2.gz OFXIYXYXECEAGH-SSDOTTSWSA-N 0 3 232.209 2.235 20 30 BEEDHN C=CC[C@H](CO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000783525149 585836163 /nfs/dbraw/zinc/83/61/63/585836163.db2.gz GPIWGFRHJCKIPD-NEPJUHHUSA-N 0 3 235.327 2.227 20 30 BEEDHN C[C@@]1(C#N)CCCN(C[Si](C)(C)C)C1 ZINC000784456207 585860527 /nfs/dbraw/zinc/86/05/27/585860527.db2.gz ZPIRMOCXIIWSHH-NSHDSACASA-N 0 3 210.397 2.489 20 30 BEEDHN N#CC(C(=O)[C@@H]1CCCOCC1)c1ccccn1 ZINC000786297593 585889399 /nfs/dbraw/zinc/88/93/99/585889399.db2.gz CBFWVZUZLULCJS-NEPJUHHUSA-N 0 3 244.294 2.075 20 30 BEEDHN C#Cc1ccc(CNC[C@@H](O)c2ccco2)cc1 ZINC000787772753 585915838 /nfs/dbraw/zinc/91/58/38/585915838.db2.gz MUERLYZNNWECEH-CQSZACIVSA-N 0 3 241.290 2.084 20 30 BEEDHN C#CCCCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000789800403 585950176 /nfs/dbraw/zinc/95/01/76/585950176.db2.gz GAFUJIJQQCCOGL-CQSZACIVSA-N 0 3 249.354 2.350 20 30 BEEDHN C=C[C@H](CC)OC(=O)C1CCN(C2CC2)CC1 ZINC000805909290 585956517 /nfs/dbraw/zinc/95/65/17/585956517.db2.gz WKUVCMQLORBLDY-CYBMUJFWSA-N 0 3 237.343 2.369 20 30 BEEDHN Cc1cccnc1N=NC1CCN(C)[C@H](C)C1 ZINC000790192889 585960980 /nfs/dbraw/zinc/96/09/80/585960980.db2.gz JEJUMHBARGZHBL-LLVKDONJSA-N 0 3 232.331 2.272 20 30 BEEDHN C=C(CN(C)C)C(=O)N(C)CC1CCCCC1 ZINC000791317372 585977131 /nfs/dbraw/zinc/97/71/31/585977131.db2.gz NIWMBWBMNCFJAA-UHFFFAOYSA-N 0 3 238.375 2.143 20 30 BEEDHN C=C(CN(C)C)C(=O)NCC1CCC(C)CC1 ZINC000791335551 585978064 /nfs/dbraw/zinc/97/80/64/585978064.db2.gz HEZZZHBCTMWCKD-UHFFFAOYSA-N 0 3 238.375 2.047 20 30 BEEDHN C#CCCCN(CCC)[C@H](CC)C(=O)OCC ZINC000792376259 586000352 /nfs/dbraw/zinc/00/03/52/586000352.db2.gz LMLDBLWYUMRFQP-CYBMUJFWSA-N 0 3 239.359 2.454 20 30 BEEDHN CO[C@H]1CCC[C@H](NCc2ccc(C#N)cn2)C1 ZINC000793154258 586011875 /nfs/dbraw/zinc/01/18/75/586011875.db2.gz WGKYHCSLBJXVFA-JSGCOSHPSA-N 0 3 245.326 2.000 20 30 BEEDHN CC(C)[C@H]1CCCC(=NNC2=N[C@H](C)CN2)C1 ZINC000794531206 586042289 /nfs/dbraw/zinc/04/22/89/586042289.db2.gz SDRZYEAFHHEMTD-MNOVXSKESA-N 0 3 236.363 2.126 20 30 BEEDHN C#CC(C)(C)N(C)C[C@H](O)c1ccccc1 ZINC000794574665 586044862 /nfs/dbraw/zinc/04/48/62/586044862.db2.gz NBCOKVXORZOOOK-ZDUSSCGKSA-N 0 3 217.312 2.064 20 30 BEEDHN C#CC(C)(C)N(C)C[C@H](O)c1cccc(F)c1 ZINC000794578984 586044984 /nfs/dbraw/zinc/04/49/84/586044984.db2.gz OFUDGHCIMCJTKW-ZDUSSCGKSA-N 0 3 235.302 2.203 20 30 BEEDHN C#CC(C)(C)N(C)C[C@@H](O)c1cccc(F)c1 ZINC000794578963 586045119 /nfs/dbraw/zinc/04/51/19/586045119.db2.gz OFUDGHCIMCJTKW-CYBMUJFWSA-N 0 3 235.302 2.203 20 30 BEEDHN C=CCC(C)(C)C(=O)OCCN(CC)CC ZINC000796454286 586103641 /nfs/dbraw/zinc/10/36/41/586103641.db2.gz CLGUVWVPJAYECO-UHFFFAOYSA-N 0 3 227.348 2.474 20 30 BEEDHN C=CCN1CC[C@@H](N(C)CCCCCC)C1=O ZINC000799177875 586165793 /nfs/dbraw/zinc/16/57/93/586165793.db2.gz WRWCOYCEIDNVEO-CYBMUJFWSA-N 0 3 238.375 2.285 20 30 BEEDHN C=C(C)CN(CC)C[C@H](O)c1ccc(F)cn1 ZINC000799292856 586168661 /nfs/dbraw/zinc/16/86/61/586168661.db2.gz CGXRRTNXXYRNME-ZDUSSCGKSA-N 0 3 238.306 2.152 20 30 BEEDHN CC(C)N(CCO[C@@H](C)C#N)Cc1ccccn1 ZINC000801913640 586276852 /nfs/dbraw/zinc/27/68/52/586276852.db2.gz ZLLWWGUDGHIJGM-ZDUSSCGKSA-N 0 3 247.342 2.221 20 30 BEEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1c1ccc[nH]1 ZINC000801930026 586278462 /nfs/dbraw/zinc/27/84/62/586278462.db2.gz BZUXLPQXZQKCAX-WCQYABFASA-N 0 3 233.315 2.080 20 30 BEEDHN CC[C@@H](c1ccncc1)N(C)CCO[C@H](C)C#N ZINC000801935958 586279360 /nfs/dbraw/zinc/27/93/60/586279360.db2.gz NQGKBHCWHPPFTP-OCCSQVGLSA-N 0 3 247.342 2.393 20 30 BEEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1ccccn1 ZINC000802040141 586286861 /nfs/dbraw/zinc/28/68/61/586286861.db2.gz HXYBFFSDLVAXFZ-ZHRWSRJISA-N 0 3 237.262 2.299 20 30 BEEDHN C#CCOCCN[C@@H](c1ccccn1)C1CCC1 ZINC000859567469 589046083 /nfs/dbraw/zinc/04/60/83/589046083.db2.gz GXENVPMEKDAHNB-OAHLLOKOSA-N 0 3 244.338 2.162 20 30 BEEDHN N#CCCCN1CCC[C@](O)(c2ccccc2)C1 ZINC000859585379 589047465 /nfs/dbraw/zinc/04/74/65/589047465.db2.gz OQOHOQCERWBYPK-OAHLLOKOSA-N 0 3 244.338 2.274 20 30 BEEDHN C[C@@H]1CC(N=NCC2CCCC2)CN1C1CC1 ZINC000808007129 586458830 /nfs/dbraw/zinc/45/88/30/586458830.db2.gz QZALNJGBOZYANG-LLVKDONJSA-N 0 3 235.375 2.379 20 30 BEEDHN C#Cc1ccc(CNCc2ccn(C)c2)cc1 ZINC000809625454 586509685 /nfs/dbraw/zinc/50/96/85/586509685.db2.gz GQSGQCFOCRUBPG-UHFFFAOYSA-N 0 3 224.307 2.296 20 30 BEEDHN C#Cc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000809644893 586510597 /nfs/dbraw/zinc/51/05/97/586510597.db2.gz YLAMVTRJBUAZKA-KGLIPLIRSA-N 0 3 242.366 2.192 20 30 BEEDHN C#Cc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000809644891 586510803 /nfs/dbraw/zinc/51/08/03/586510803.db2.gz YLAMVTRJBUAZKA-KBPBESRZSA-N 0 3 242.366 2.192 20 30 BEEDHN C#C[C@@H](C)NCc1ccc(F)c2cccnc12 ZINC000809683060 586511642 /nfs/dbraw/zinc/51/16/42/586511642.db2.gz NMUKVXMCKSVZPG-SNVBAGLBSA-N 0 3 228.270 2.485 20 30 BEEDHN C#C[C@@H](CC)NCc1ccc(N(C)C)c(F)c1 ZINC000809686036 586512795 /nfs/dbraw/zinc/51/27/95/586512795.db2.gz IYBQDOADDBZDQK-LBPRGKRZSA-N 0 3 234.318 2.393 20 30 BEEDHN C#CCN(CC#CC)CC1Cc2ccccc2C1 ZINC000811463871 586559621 /nfs/dbraw/zinc/55/96/21/586559621.db2.gz JRAQBRJCPFIEJS-UHFFFAOYSA-N 0 3 237.346 2.360 20 30 BEEDHN CC(C)N1CC(=NOCC2CC2)[C@H](C)C1 ZINC000814245005 586620033 /nfs/dbraw/zinc/62/00/33/586620033.db2.gz PQYNQPDRANDNND-SNVBAGLBSA-N 0 3 210.321 2.129 20 30 BEEDHN CON=C(C)c1cccc(CN(C)C)c1 ZINC000814795857 586634419 /nfs/dbraw/zinc/63/44/19/586634419.db2.gz MLKRUUUMTRSQBS-UHFFFAOYSA-N 0 3 206.289 2.119 20 30 BEEDHN CCC(=NN[C@@H]1CCSC1)c1cccc(N)c1 ZINC000814933271 586653994 /nfs/dbraw/zinc/65/39/94/586653994.db2.gz JNPSJIHGQVWCDU-GFCCVEGCSA-N 0 3 249.383 2.478 20 30 BEEDHN C#Cc1ccc(CN2CCN(C)C[C@@H]2CC)cc1 ZINC000816660359 586753499 /nfs/dbraw/zinc/75/34/99/586753499.db2.gz AMJLESALCBVOGL-INIZCTEOSA-N 0 3 242.366 2.194 20 30 BEEDHN CCCCCCCN1CC[C@H](NC(C)=O)C1 ZINC000817283199 586791886 /nfs/dbraw/zinc/79/18/86/586791886.db2.gz XVXIEZGHRDHOIR-ZDUSSCGKSA-N 0 3 226.364 2.167 20 30 BEEDHN C=C(Cl)CN[C@H](C)c1ccc(CN)nc1C ZINC000817903850 586836938 /nfs/dbraw/zinc/83/69/38/586836938.db2.gz MGZTYGTUPZWBTB-SECBINFHSA-N 0 3 239.750 2.252 20 30 BEEDHN C=CCC[C@@H](CC)NCc1nn(CC)nc1C ZINC000818343966 586887560 /nfs/dbraw/zinc/88/75/60/586887560.db2.gz GIBQYMUABUWLGI-GFCCVEGCSA-N 0 3 236.363 2.441 20 30 BEEDHN C=CC[C@@H](NC[C@H](O)C1CC1)c1ccncc1 ZINC000819074578 586929056 /nfs/dbraw/zinc/92/90/56/586929056.db2.gz RLQPJFPIVPULAT-KGLIPLIRSA-N 0 3 232.327 2.059 20 30 BEEDHN C=C(CN(C)C)C(=O)NC[C@@H]1CCCC1(C)C ZINC000819173205 586934920 /nfs/dbraw/zinc/93/49/20/586934920.db2.gz AIVVTQLOOYVPGX-LBPRGKRZSA-N 0 3 238.375 2.047 20 30 BEEDHN C=CCCOCCNC[C@H](O)c1ccccc1C ZINC000819189036 586937256 /nfs/dbraw/zinc/93/72/56/586937256.db2.gz PCROQFVBAAYKNZ-HNNXBMFYSA-N 0 3 249.354 2.211 20 30 BEEDHN N#CCC1(CNC[C@@H](O)c2cccc(F)c2)CC1 ZINC000819280516 586947596 /nfs/dbraw/zinc/94/75/96/586947596.db2.gz HOKAHAPWLRKOIT-CYBMUJFWSA-N 0 3 248.301 2.143 20 30 BEEDHN Cc1ccc([C@@H](O)CNCC2(CC#N)CC2)cc1 ZINC000819280344 586947744 /nfs/dbraw/zinc/94/77/44/586947744.db2.gz CMJMKTJBINXOPI-AWEZNQCLSA-N 0 3 244.338 2.312 20 30 BEEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccns1 ZINC000860055121 589076681 /nfs/dbraw/zinc/07/66/81/589076681.db2.gz SAMSBAOCYDMSDQ-UWVGGRQHSA-N 0 3 226.345 2.121 20 30 BEEDHN N#C[C@H]1CC[C@@H](NC[C@H](O)c2cccc(F)c2)C1 ZINC000819384409 586959805 /nfs/dbraw/zinc/95/98/05/586959805.db2.gz YRYNRWHVTVPLDE-GDLCADMTSA-N 0 3 248.301 2.141 20 30 BEEDHN C=CCN(Cc1ccccc1)C[C@@H]1CCC(=O)O1 ZINC000821343315 587109268 /nfs/dbraw/zinc/10/92/68/587109268.db2.gz WFVASCFBIMEDGV-AWEZNQCLSA-N 0 3 245.322 2.380 20 30 BEEDHN C=CCC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823899631 587245488 /nfs/dbraw/zinc/24/54/88/587245488.db2.gz ZVXRFLAGXZPNKY-SNVBAGLBSA-N 0 3 243.314 2.093 20 30 BEEDHN C=CCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823899631 587245489 /nfs/dbraw/zinc/24/54/89/587245489.db2.gz ZVXRFLAGXZPNKY-SNVBAGLBSA-N 0 3 243.314 2.093 20 30 BEEDHN N#CCCN[C@H]1CCCc2ccccc2C1 ZINC000824301665 587265687 /nfs/dbraw/zinc/26/56/87/587265687.db2.gz BTMAHJFILREFCB-AWEZNQCLSA-N 0 3 214.312 2.437 20 30 BEEDHN C=C(C)CCNCc1cnc([C@@H](C)O)s1 ZINC000824750902 587285622 /nfs/dbraw/zinc/28/56/22/587285622.db2.gz POYBUQLMVDHEBY-SECBINFHSA-N 0 3 226.345 2.252 20 30 BEEDHN C=CC(C)(C)CNCc1cnc([C@H](C)O)s1 ZINC000824789695 587287758 /nfs/dbraw/zinc/28/77/58/587287758.db2.gz FJFKPZFKZHVQLT-VIFPVBQESA-N 0 3 240.372 2.498 20 30 BEEDHN C=C[C@@H](CC)CC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000824841135 587287792 /nfs/dbraw/zinc/28/77/92/587287792.db2.gz GHIJUNLVIOROBM-QWHCGFSZSA-N 0 3 238.375 2.141 20 30 BEEDHN C=CCC1(CNCc2cnn(C)n2)CCCC1 ZINC000825079424 587303162 /nfs/dbraw/zinc/30/31/62/587303162.db2.gz SYQOCWQUAOCMJC-UHFFFAOYSA-N 0 3 234.347 2.041 20 30 BEEDHN C=CCC1(NCc2cc(C)on2)CCOCC1 ZINC000827146645 587370903 /nfs/dbraw/zinc/37/09/03/587370903.db2.gz IUQGWACHPUJRDW-UHFFFAOYSA-N 0 3 236.315 2.198 20 30 BEEDHN CC(C#N)C(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000828537575 587449509 /nfs/dbraw/zinc/44/95/09/587449509.db2.gz WSHWRPFOWFUIHV-IWSPIJDZSA-N 0 3 246.232 2.159 20 30 BEEDHN CN(CCCC#N)C[C@]1(O)CCc2ccccc21 ZINC000829317890 587492201 /nfs/dbraw/zinc/49/22/01/587492201.db2.gz ANLNQFAXUPBVOI-OAHLLOKOSA-N 0 3 244.338 2.056 20 30 BEEDHN C#CCNC1(c2cccc(F)c2)CCC1 ZINC000829725703 587512357 /nfs/dbraw/zinc/51/23/57/587512357.db2.gz NUHNEVHAMNUVOH-UHFFFAOYSA-N 0 3 203.260 2.428 20 30 BEEDHN C#CC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000829779406 587515799 /nfs/dbraw/zinc/51/57/99/587515799.db2.gz TZMNURZCLZBWTP-CYBMUJFWSA-N 0 3 214.312 2.317 20 30 BEEDHN C#CC[C@@H]1CCCN(Cc2cc(OC)ccn2)C1 ZINC000829783779 587515861 /nfs/dbraw/zinc/51/58/61/587515861.db2.gz CAYSVCKBTOPKFT-CYBMUJFWSA-N 0 3 244.338 2.326 20 30 BEEDHN C#CC[C@@H]1CCCN([C@H](CC)C(=O)OCC)C1 ZINC000829783706 587515904 /nfs/dbraw/zinc/51/59/04/587515904.db2.gz AXYLJSNKKDLJFQ-CHWSQXEVSA-N 0 3 237.343 2.063 20 30 BEEDHN C#CC[C@@H]1CCCN(Cc2ccnc(OC)c2)C1 ZINC000829805209 587517737 /nfs/dbraw/zinc/51/77/37/587517737.db2.gz RCVQXLRGEVMSID-CYBMUJFWSA-N 0 3 244.338 2.326 20 30 BEEDHN C#CC[C@H]1CCCN(Cc2ccnc(OC)c2)C1 ZINC000829805210 587517954 /nfs/dbraw/zinc/51/79/54/587517954.db2.gz RCVQXLRGEVMSID-ZDUSSCGKSA-N 0 3 244.338 2.326 20 30 BEEDHN C#CC1CCN(CCc2cscn2)CC1 ZINC000830345779 587546924 /nfs/dbraw/zinc/54/69/24/587546924.db2.gz SIOXRFXJPKWUDI-UHFFFAOYSA-N 0 3 220.341 2.031 20 30 BEEDHN C#CCN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000830489919 587554633 /nfs/dbraw/zinc/55/46/33/587554633.db2.gz NPCXQDWUOHGUFU-OAHLLOKOSA-N 0 3 241.334 2.279 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCC(=C)Br ZINC000831830338 587633833 /nfs/dbraw/zinc/63/38/33/587633833.db2.gz UVOJCLPUXFSION-ZJUUUORDSA-N 0 3 246.148 2.218 20 30 BEEDHN C=C(Cl)CN(C)[C@H]1CCN(C(C)C)C1 ZINC000832778634 587688915 /nfs/dbraw/zinc/68/89/15/587688915.db2.gz MXOXEMGCEHMPJW-NSHDSACASA-N 0 3 216.756 2.153 20 30 BEEDHN CC(C#N)C(=O)NCCC[C@@H]1C=CCC1 ZINC000834334982 587752370 /nfs/dbraw/zinc/75/23/70/587752370.db2.gz SGNCGVBKEBVDMJ-GHMZBOCLSA-N 0 3 206.289 2.009 20 30 BEEDHN C=C(CN(C)C)C(=O)NC[C@H]1CCC[C@H]1CC ZINC000834349683 587752729 /nfs/dbraw/zinc/75/27/29/587752729.db2.gz IDOBHOHSTCDWNN-CHWSQXEVSA-N 0 3 238.375 2.047 20 30 BEEDHN C#CCSCCN[C@H](CC)c1ccncc1 ZINC000834669029 587763484 /nfs/dbraw/zinc/76/34/84/587763484.db2.gz QODGUSYLVAHWFL-CYBMUJFWSA-N 0 3 234.368 2.489 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(C)nn1C ZINC000834890071 587769575 /nfs/dbraw/zinc/76/95/75/587769575.db2.gz CNRUHFZTUMEDGO-SCRDCRAPSA-N 0 3 249.358 2.113 20 30 BEEDHN C#Cc1cccc(CN[C@@H](C)[C@@H](C)OC)c1 ZINC000834903522 587769987 /nfs/dbraw/zinc/76/99/87/587769987.db2.gz QCAJWGMDMLOMSV-NWDGAFQWSA-N 0 3 217.312 2.181 20 30 BEEDHN CC(=Nn1cnnc1)[C@H]1CCCC[C@@H]1C ZINC000834912282 587770690 /nfs/dbraw/zinc/77/06/90/587770690.db2.gz NHUQEWWSNIDMLJ-ONGXEEELSA-N 0 3 206.293 2.328 20 30 BEEDHN COCCON=C/C=C\c1ccc(N(C)C)cc1 ZINC000834963746 587773035 /nfs/dbraw/zinc/77/30/35/587773035.db2.gz SFTVXWIGXKHMMA-GTTIHGKRSA-N 0 3 248.326 2.415 20 30 BEEDHN CC[C@@H](C)NN=C1CCc2cc(N)ccc21 ZINC000834972132 587774499 /nfs/dbraw/zinc/77/44/99/587774499.db2.gz DQCMKVMZKKDGGB-SECBINFHSA-N 0 3 217.316 2.307 20 30 BEEDHN C#Cc1ccc(CNC[C@@H]2CC[C@@H](C)O2)cc1 ZINC000835085946 587781703 /nfs/dbraw/zinc/78/17/03/587781703.db2.gz CXYDOUPYXCPEBL-DOMZBBRYSA-N 0 3 229.323 2.325 20 30 BEEDHN C=C(CN(C)C)C(=O)N[C@H](C)CC(C)(C)C ZINC000837229502 587860117 /nfs/dbraw/zinc/86/01/17/587860117.db2.gz AJIZGGKYIKFAKT-LLVKDONJSA-N 0 3 226.364 2.045 20 30 BEEDHN C=C(C)CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153837 588004180 /nfs/dbraw/zinc/00/41/80/588004180.db2.gz QKMALISVROCRFB-CQSZACIVSA-N 0 3 230.311 2.100 20 30 BEEDHN C=CCCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842157743 588004708 /nfs/dbraw/zinc/00/47/08/588004708.db2.gz USMGIDOFQIARBL-CQSZACIVSA-N 0 3 230.311 2.100 20 30 BEEDHN C#CC[C@@H]1CCCN(Cc2conc2C)C1 ZINC000843422010 588107486 /nfs/dbraw/zinc/10/74/86/588107486.db2.gz BCDPGWZCAUBVTN-GFCCVEGCSA-N 0 3 218.300 2.218 20 30 BEEDHN C#CC[C@H]1CCCN(Cc2cncn2CC)C1 ZINC000843423358 588107641 /nfs/dbraw/zinc/10/76/41/588107641.db2.gz MQBGZHHJTCGBJK-ZDUSSCGKSA-N 0 3 231.343 2.138 20 30 BEEDHN C#CC[C@H]1CCCN(Cc2c(C)n[nH]c2C)C1 ZINC000843423687 588107873 /nfs/dbraw/zinc/10/78/73/588107873.db2.gz IDYOBQIEIIGFLD-ZDUSSCGKSA-N 0 3 231.343 2.262 20 30 BEEDHN C#CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000843427296 588108630 /nfs/dbraw/zinc/10/86/30/588108630.db2.gz YUBUTEDBTDDTOR-UHFFFAOYSA-N 0 3 230.336 2.465 20 30 BEEDHN C#CC1CCN(Cc2cnn3ccccc23)CC1 ZINC000843427237 588108689 /nfs/dbraw/zinc/10/86/89/588108689.db2.gz WLANUSQLJVUJIG-UHFFFAOYSA-N 0 3 239.322 2.180 20 30 BEEDHN N#CCCNCCC[C@H]1CC1(Cl)Cl ZINC000844277901 588179305 /nfs/dbraw/zinc/17/93/05/588179305.db2.gz NOKJPRZEXLGKQL-QMMMGPOBSA-N 0 3 221.131 2.464 20 30 BEEDHN C=C(CC)CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371925 588187187 /nfs/dbraw/zinc/18/71/87/588187187.db2.gz SLVQIXMOTWVDBR-OAHLLOKOSA-N 0 3 244.338 2.490 20 30 BEEDHN C#CCCC[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846143428 588258424 /nfs/dbraw/zinc/25/84/24/588258424.db2.gz BRIAEKBEZXOBSK-NSHDSACASA-N 0 3 233.311 2.465 20 30 BEEDHN CCC#C[C@@H](C)N1CCC(C(C)=O)CC1 ZINC000846946081 588298186 /nfs/dbraw/zinc/29/81/86/588298186.db2.gz GAZVSURIMSUWOO-LLVKDONJSA-N 0 3 207.317 2.089 20 30 BEEDHN CCC#C[C@H](C)N1CCC(C(C)=O)CC1 ZINC000846946082 588298204 /nfs/dbraw/zinc/29/82/04/588298204.db2.gz GAZVSURIMSUWOO-NSHDSACASA-N 0 3 207.317 2.089 20 30 BEEDHN C#C[C@H]1CCCN(CCc2cscn2)C1 ZINC000847019026 588302002 /nfs/dbraw/zinc/30/20/02/588302002.db2.gz NPLPVHXGSMNVAS-NSHDSACASA-N 0 3 220.341 2.031 20 30 BEEDHN C#CCCCCN[C@H]1CCCn2ccnc21 ZINC000848535976 588393739 /nfs/dbraw/zinc/39/37/39/588393739.db2.gz MMQVZCDQEHMQFR-LBPRGKRZSA-N 0 3 217.316 2.111 20 30 BEEDHN C#C[C@H](N[C@@H]1CC[C@@H](C)SC1)[C@H]1CCCO1 ZINC000848545156 588395019 /nfs/dbraw/zinc/39/50/19/588395019.db2.gz AKNBGXBXZXYGIG-FVCCEPFGSA-N 0 3 239.384 2.041 20 30 BEEDHN C=CC[C@@H](CO)C[NH2+]Cc1cccc(CC)c1[O-] ZINC000848899383 588418139 /nfs/dbraw/zinc/41/81/39/588418139.db2.gz FKPJENPDIGIDDV-GFCCVEGCSA-N 0 3 249.354 2.229 20 30 BEEDHN C#C[C@H]1CCCN(Cc2ccoc2C)C1 ZINC000848923420 588421325 /nfs/dbraw/zinc/42/13/25/588421325.db2.gz DNZAGRVPCYDTSF-LBPRGKRZSA-N 0 3 203.285 2.433 20 30 BEEDHN C=C(Cl)CN[C@@H](COC)CC1CCOCC1 ZINC000850443713 588545346 /nfs/dbraw/zinc/54/53/46/588545346.db2.gz NDKBLRRFJDXNQN-GFCCVEGCSA-N 0 3 247.766 2.160 20 30 BEEDHN C#Cc1cccc(CN[C@H]2COC3(CCC3)C2)c1 ZINC000850473290 588549260 /nfs/dbraw/zinc/54/92/60/588549260.db2.gz WJDKLNIRSKQYTG-OAHLLOKOSA-N 0 3 241.334 2.469 20 30 BEEDHN N#CC(C(=O)CCCF)C(=O)Nc1ccccc1 ZINC000850759475 588565582 /nfs/dbraw/zinc/56/55/82/588565582.db2.gz JLFRGZDCPABTLD-NSHDSACASA-N 0 3 248.257 2.084 20 30 BEEDHN C=C(C)CN(CC)C[C@H]1COC(C)(C)O1 ZINC000851720453 588616979 /nfs/dbraw/zinc/61/69/79/588616979.db2.gz KKLQVLCKGDRSOD-NSHDSACASA-N 0 3 213.321 2.036 20 30 BEEDHN C#CCOCCN1CCc2ccccc2[C@H]1C ZINC000851762558 588624520 /nfs/dbraw/zinc/62/45/20/588624520.db2.gz SOMVYNJSGMKIRE-CYBMUJFWSA-N 0 3 229.323 2.256 20 30 BEEDHN C#CCOCC[N@@H+](CCC)Cc1ccccc1[O-] ZINC000851791731 588629099 /nfs/dbraw/zinc/62/90/99/588629099.db2.gz GSGLTPVHKDSFNK-UHFFFAOYSA-N 0 3 247.338 2.254 20 30 BEEDHN C#CCOCC[N@H+](CCC)Cc1ccccc1[O-] ZINC000851791731 588629100 /nfs/dbraw/zinc/62/91/00/588629100.db2.gz GSGLTPVHKDSFNK-UHFFFAOYSA-N 0 3 247.338 2.254 20 30 BEEDHN C#CCOCCNC(C)(C)c1ccc(F)cc1 ZINC000851838911 588634334 /nfs/dbraw/zinc/63/43/34/588634334.db2.gz XFZSMCXXKBXMNZ-UHFFFAOYSA-N 0 3 235.302 2.300 20 30 BEEDHN C#CCCN1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000851873373 588637542 /nfs/dbraw/zinc/63/75/42/588637542.db2.gz WKDACBNXUWCAKT-OAGGEKHMSA-N 0 3 246.398 2.064 20 30 BEEDHN C#CCOCCN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000851913512 588643294 /nfs/dbraw/zinc/64/32/94/588643294.db2.gz YGDDVDFKIOOHAW-WDEREUQCSA-N 0 3 249.276 2.299 20 30 BEEDHN C#CCN(CCOCc1ccccc1)C1CC1 ZINC000851938685 588646401 /nfs/dbraw/zinc/64/64/01/588646401.db2.gz WJPWXTSMCONRBS-UHFFFAOYSA-N 0 3 229.323 2.301 20 30 BEEDHN C#CCOCCN1Cc2ccccc2C2(CC2)C1 ZINC000851952394 588647675 /nfs/dbraw/zinc/64/76/75/588647675.db2.gz WVMQHXQFVGIIIE-UHFFFAOYSA-N 0 3 241.334 2.184 20 30 BEEDHN C#C[C@@](C)(CC)NCc1cccc(C(=O)OC)c1 ZINC000852097023 588661869 /nfs/dbraw/zinc/66/18/69/588661869.db2.gz IOGXEASLDUDFCF-HNNXBMFYSA-N 0 3 245.322 2.365 20 30 BEEDHN C#C[C@@](C)(CC)NCCOc1ccc(C#N)cc1 ZINC000852098588 588662297 /nfs/dbraw/zinc/66/22/97/588662297.db2.gz QSBVIPREOTVDQN-HNNXBMFYSA-N 0 3 242.322 2.329 20 30 BEEDHN C#CC[C@H]1CCCN(CCO[C@H]2CC2(F)F)C1 ZINC000852206327 588671406 /nfs/dbraw/zinc/67/14/06/588671406.db2.gz HCLOZVQOLNYRBB-RYUDHWBXSA-N 0 3 243.297 2.146 20 30 BEEDHN C#CCOCCN1CCc2ccccc2[C@@H](C)C1 ZINC000852212812 588672459 /nfs/dbraw/zinc/67/24/59/588672459.db2.gz DUPFLYIFIFVATM-AWEZNQCLSA-N 0 3 243.350 2.298 20 30 BEEDHN C=CC[C@H]1CCCC[C@H]1NCc1cnon1 ZINC000852302382 588677408 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C=CCN(CCOC)C[C@H]1CC2(CCC2)CO1 ZINC000878502378 590581032 /nfs/dbraw/zinc/58/10/32/590581032.db2.gz BSGNSOXBTBEGPT-CYBMUJFWSA-N 0 3 239.359 2.080 20 30 BEEDHN C#CCCCCCN(C)Cc1cnn(C)c1C ZINC000878531818 590587343 /nfs/dbraw/zinc/58/73/43/590587343.db2.gz KFWJCJHHIRNTSR-UHFFFAOYSA-N 0 3 233.359 2.354 20 30 BEEDHN C=CC[C@H](C(=O)OC)N1CCC[C@@H](C2CC2)C1 ZINC000878621356 590596777 /nfs/dbraw/zinc/59/67/77/590596777.db2.gz AWSMTQCYBDOTSV-CHWSQXEVSA-N 0 3 237.343 2.226 20 30 BEEDHN C=CC[C@H](C)N1CCN(c2cccc(F)n2)CC1 ZINC000878677890 590608162 /nfs/dbraw/zinc/60/81/62/590608162.db2.gz FGHTVXMXKWSVJX-LBPRGKRZSA-N 0 3 249.333 2.307 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N1CC(C)(C)C[C@@H]1C ZINC000878710915 590613482 /nfs/dbraw/zinc/61/34/82/590613482.db2.gz JWBUCWQUYRKWTJ-QWRGUYRKSA-N 0 3 225.332 2.225 20 30 BEEDHN C=CC[C@H](C(=O)OC)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000878718159 590614778 /nfs/dbraw/zinc/61/47/78/590614778.db2.gz QARWLHNDUCVJJA-WHOHXGKFSA-N 0 3 225.332 2.080 20 30 BEEDHN 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2.189 20 30 BEEDHN COc1cc(F)cc(CNCCCC#N)c1 ZINC000449236659 388160241 /nfs/dbraw/zinc/16/02/41/388160241.db2.gz YRLQJFNEHKRSTR-UHFFFAOYSA-N 0 3 222.263 2.228 20 30 BEEDHN C=CC[C@H](CO)NCc1ccnn1C1CCCC1 ZINC000449234126 388160327 /nfs/dbraw/zinc/16/03/27/388160327.db2.gz AUCYZXCEVLXGPR-GFCCVEGCSA-N 0 3 249.358 2.025 20 30 BEEDHN COCC1CCC(NCC(C)(C)C#N)CC1 ZINC000449240443 388160700 /nfs/dbraw/zinc/16/07/00/388160700.db2.gz NHKIVFPHYXWCOW-UHFFFAOYSA-N 0 3 224.348 2.331 20 30 BEEDHN C=CC[C@H](CC)NCc1c(C)nnn1CC ZINC000449303414 388169529 /nfs/dbraw/zinc/16/95/29/388169529.db2.gz MBUBBDWUBWXNDQ-NSHDSACASA-N 0 3 222.336 2.051 20 30 BEEDHN C=CC(C)(C)CNC(=O)[C@@H]1CCCN1CCC ZINC000456121326 388179961 /nfs/dbraw/zinc/17/99/61/388179961.db2.gz XERDIDNNRXYFJX-LBPRGKRZSA-N 0 3 238.375 2.189 20 30 BEEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1CC ZINC000448953197 388122994 /nfs/dbraw/zinc/12/29/94/388122994.db2.gz HLOQOGSKQSUDHA-LBPRGKRZSA-N 0 3 238.375 2.189 20 30 BEEDHN C=CCCCC[C@H](C)NCc1nnc2n1CCC2 ZINC000449071230 388138721 /nfs/dbraw/zinc/13/87/21/388138721.db2.gz GSSDOZBJFNUASW-LBPRGKRZSA-N 0 3 248.374 2.449 20 30 BEEDHN C#CCN(CC)CCCc1ccc(C)nc1 ZINC000490717912 388249812 /nfs/dbraw/zinc/24/98/12/388249812.db2.gz FVYZWDYVQUFTPZ-UHFFFAOYSA-N 0 3 216.328 2.278 20 30 BEEDHN CC#CCCNCc1cccc(OC)c1 ZINC000165107947 388250256 /nfs/dbraw/zinc/25/02/56/388250256.db2.gz IEPKLNMMQLITNP-UHFFFAOYSA-N 0 3 203.285 2.198 20 30 BEEDHN C#C[C@@H](C)N(C)CCCc1ccc(C)nc1 ZINC000490740070 388251909 /nfs/dbraw/zinc/25/19/09/388251909.db2.gz MFYNBHMISSBEGW-CYBMUJFWSA-N 0 3 216.328 2.276 20 30 BEEDHN CC(C)[C@H]1CN(C(=O)C(C)C#N)[C@H]1C(C)C ZINC000456341256 388195581 /nfs/dbraw/zinc/19/55/81/388195581.db2.gz OSDOKSKJVSVCCR-UTUOFQBUSA-N 0 3 222.332 2.285 20 30 BEEDHN C#CCN(Cc1cn(C)nc1C)C1CCCCC1 ZINC000490898983 388258854 /nfs/dbraw/zinc/25/88/54/388258854.db2.gz MVOVJGIQFQBKPN-UHFFFAOYSA-N 0 3 245.370 2.496 20 30 BEEDHN C=CC(C)(C)CNCc1ncc(C)n1C ZINC000449483894 388216191 /nfs/dbraw/zinc/21/61/91/388216191.db2.gz DEMVKEDTWYETPY-UHFFFAOYSA-N 0 3 207.321 2.030 20 30 BEEDHN C=C[C@@H]1CCCCN1C[C@@H](O)CC(F)(F)F ZINC000489473926 388216978 /nfs/dbraw/zinc/21/69/78/388216978.db2.gz JKTQILVOGFBIFX-ZJUUUORDSA-N 0 3 237.265 2.340 20 30 BEEDHN C=C(CC)CN(CCOC)[C@H]1CCO[C@H]1C ZINC000489470574 388217005 /nfs/dbraw/zinc/21/70/05/388217005.db2.gz GBSUHAWUZPFRKL-STQMWFEESA-N 0 3 227.348 2.078 20 30 BEEDHN C=CC(C)(C)CNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000449487526 388216983 /nfs/dbraw/zinc/21/69/83/388216983.db2.gz YVDPOYAGLJFVOE-UHFFFAOYSA-N 0 3 249.358 2.018 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(F)cc1 ZINC000449524325 388224384 /nfs/dbraw/zinc/22/43/84/388224384.db2.gz ZQLHIJSMROOZPE-OLZOCXBDSA-N 0 3 221.275 2.259 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(C#N)c1 ZINC000449547284 388229219 /nfs/dbraw/zinc/22/92/19/388229219.db2.gz HJYWJLPEYGYFBN-CABCVRRESA-N 0 3 242.322 2.381 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1 ZINC000449548272 388229878 /nfs/dbraw/zinc/22/98/78/388229878.db2.gz MEJGGLOQTDCLSI-CABCVRRESA-N 0 3 242.322 2.381 20 30 BEEDHN C#CCN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000490606395 388242667 /nfs/dbraw/zinc/24/26/67/388242667.db2.gz ZCIIGXDHXXHBLU-UHFFFAOYSA-N 0 3 217.312 2.377 20 30 BEEDHN C#C[C@H](N[C@@H]1C[C@H](OCC)[C@@H]1SC)C(C)C ZINC000491297228 388283400 /nfs/dbraw/zinc/28/34/00/388283400.db2.gz PIWUSWRUASONTI-QNWHQSFQSA-N 0 3 241.400 2.143 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccnc1 ZINC000451605899 388283414 /nfs/dbraw/zinc/28/34/14/388283414.db2.gz LAMRAKZSFTXNLX-RTXFEEFZSA-N 0 3 218.300 2.076 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccncc1 ZINC000451608811 388284122 /nfs/dbraw/zinc/28/41/22/388284122.db2.gz UFEYLNFGJRCTMF-RTXFEEFZSA-N 0 3 218.300 2.076 20 30 BEEDHN C#CCN(C)CCO[C@@H]1CCCC[C@H]1C ZINC000491316777 388284920 /nfs/dbraw/zinc/28/49/20/388284920.db2.gz XRRAEQXFKMGWON-CHWSQXEVSA-N 0 3 209.333 2.147 20 30 BEEDHN C#C[C@@H](C)N(C)CCCOc1cccc(C#N)c1 ZINC000491327667 388285750 /nfs/dbraw/zinc/28/57/50/388285750.db2.gz XMMWVQKFBPOJST-CYBMUJFWSA-N 0 3 242.322 2.281 20 30 BEEDHN C#C[C@H](NCCC(=O)Nc1ccccc1)C(C)C ZINC000491513945 388300031 /nfs/dbraw/zinc/30/00/31/388300031.db2.gz FJNUEAAMXYJHIQ-AWEZNQCLSA-N 0 3 244.338 2.263 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1ccc(NC(C)=O)cc1 ZINC000491536397 388302006 /nfs/dbraw/zinc/30/20/06/388302006.db2.gz JLLUOHUBDMNPJM-LLVKDONJSA-N 0 3 230.311 2.099 20 30 BEEDHN C#C[C@@H](CC)N[C@H](C)Cc1cccc(OC)n1 ZINC000491616978 388304991 /nfs/dbraw/zinc/30/49/91/388304991.db2.gz BMUNRKOVHQUUJE-NEPJUHHUSA-N 0 3 232.327 2.023 20 30 BEEDHN CCN1CCC[C@@H]1CNCc1cc(C#N)cs1 ZINC000093492119 256637578 /nfs/dbraw/zinc/63/75/78/256637578.db2.gz XTVJXKQIFHMCJG-GFCCVEGCSA-N 0 3 249.383 2.194 20 30 BEEDHN C#C[C@H](CC)NCc1cnc2ccc(C)cn12 ZINC000491663411 388309286 /nfs/dbraw/zinc/30/92/86/388309286.db2.gz MTQAZQYKOQOLIL-GFCCVEGCSA-N 0 3 227.311 2.144 20 30 BEEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccccc1F ZINC000491679629 388310454 /nfs/dbraw/zinc/31/04/54/388310454.db2.gz GEEBLOQEJUFSDR-LLVKDONJSA-N 0 3 248.301 2.108 20 30 BEEDHN C#C[C@@H](CC)NCc1cnc2ccc(Cl)cn12 ZINC000491697214 388312147 /nfs/dbraw/zinc/31/21/47/388312147.db2.gz ZRMVOMRGVMFXMG-NSHDSACASA-N 0 3 247.729 2.489 20 30 BEEDHN C#C[C@@H](CCC)NC(=O)[C@@H](CC)N(CC)CC ZINC000491697924 388312199 /nfs/dbraw/zinc/31/21/99/388312199.db2.gz RWBXRPMWHOKPME-QWHCGFSZSA-N 0 3 238.375 2.025 20 30 BEEDHN C#CCN(C[C@H](O)[C@H](C)c1ccccc1)C1CC1 ZINC000491700630 388312520 /nfs/dbraw/zinc/31/25/20/388312520.db2.gz GMOQNAPCRMHEQX-CJNGLKHVSA-N 0 3 243.350 2.249 20 30 BEEDHN C#C[C@@H](CC)NCc1ccc(N(C)CC)nc1 ZINC000491700466 388312752 /nfs/dbraw/zinc/31/27/52/388312752.db2.gz KHGCEXBJMBGMDR-ZDUSSCGKSA-N 0 3 231.343 2.039 20 30 BEEDHN C#C[C@H](CC)NCc1cnc2cccc(C)n12 ZINC000491716407 388314338 /nfs/dbraw/zinc/31/43/38/388314338.db2.gz NFPRXCVUDUJSGG-GFCCVEGCSA-N 0 3 227.311 2.144 20 30 BEEDHN C#C[C@H](NCc1c[nH]nc1C(C)(C)C)C(C)C ZINC000491749343 388317547 /nfs/dbraw/zinc/31/75/47/388317547.db2.gz QNEVQQKEBGHFLL-LBPRGKRZSA-N 0 3 233.359 2.455 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1cc(C)c(O)c(C)c1 ZINC000491754199 388318145 /nfs/dbraw/zinc/31/81/45/388318145.db2.gz RPTVGKJVYYYMLC-GFCCVEGCSA-N 0 3 217.312 2.463 20 30 BEEDHN C#CCN(C)[C@H](CCOC)c1ccccc1 ZINC000491776518 388319914 /nfs/dbraw/zinc/31/99/14/388319914.db2.gz WDNRWILEQQXVRL-CQSZACIVSA-N 0 3 217.312 2.329 20 30 BEEDHN C#C[C@H](NC[C@@H](O)c1ccc(C)cc1)C(C)C ZINC000491790674 388321331 /nfs/dbraw/zinc/32/13/31/388321331.db2.gz ZZPDQOBTWCJDOA-LSDHHAIUSA-N 0 3 231.339 2.276 20 30 BEEDHN C#CC(C)(C)N(C)CCc1cccc(C)n1 ZINC000491819165 388323713 /nfs/dbraw/zinc/32/37/13/388323713.db2.gz MWGJXOSINWFDRE-UHFFFAOYSA-N 0 3 216.328 2.276 20 30 BEEDHN C=C(C)CN1CCC(NC(=O)/C=C\C2CC2)CC1 ZINC000491922995 388328001 /nfs/dbraw/zinc/32/80/01/388328001.db2.gz ACRLXBXAWHKKAS-WAYWQWQTSA-N 0 3 248.370 2.109 20 30 BEEDHN C=CCOCCCN(C)Cc1ccccn1 ZINC000451366982 388265583 /nfs/dbraw/zinc/26/55/83/388265583.db2.gz KHMSNHFRIIITDS-UHFFFAOYSA-N 0 3 220.316 2.106 20 30 BEEDHN C#CCN(CCC1(O)CC1)Cc1ccccc1 ZINC000491126709 388271797 /nfs/dbraw/zinc/27/17/97/388271797.db2.gz RDCVJCJJCRRJHU-UHFFFAOYSA-N 0 3 229.323 2.037 20 30 BEEDHN C[C@H]1OCC[C@@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000272310343 388404013 /nfs/dbraw/zinc/40/40/13/388404013.db2.gz SXAQQNIHEMBRFA-RISCZKNCSA-N 0 3 242.322 2.314 20 30 BEEDHN Cc1nnc(C)n1N=C/C=C\c1ccccc1 ZINC000254625867 388347770 /nfs/dbraw/zinc/34/77/70/388347770.db2.gz ZYMVGGLXPWXMSZ-OAOWJTDASA-N 0 3 226.283 2.442 20 30 BEEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)C1 ZINC000271005962 388370290 /nfs/dbraw/zinc/37/02/90/388370290.db2.gz GWLCQBFAQSXLGV-NSHDSACASA-N 0 3 230.311 2.409 20 30 BEEDHN CC[C@H]1C[C@@H](NCc2cccc(C#N)c2)CO1 ZINC000594914058 388373716 /nfs/dbraw/zinc/37/37/16/388373716.db2.gz CDUOTDMKNAFATG-KGLIPLIRSA-N 0 3 230.311 2.215 20 30 BEEDHN COC[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000271169594 388375104 /nfs/dbraw/zinc/37/51/04/388375104.db2.gz IODNLBOCXWVCNJ-SNVBAGLBSA-N 0 3 236.340 2.088 20 30 BEEDHN C=CCCCCN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000572830043 388379449 /nfs/dbraw/zinc/37/94/49/388379449.db2.gz XSYGPEKWVULOBV-KBPBESRZSA-N 0 3 239.359 2.223 20 30 BEEDHN C=CCCCCN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000572830046 388379800 /nfs/dbraw/zinc/37/98/00/388379800.db2.gz XSYGPEKWVULOBV-ZIAGYGMSSA-N 0 3 239.359 2.223 20 30 BEEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)[C@@H]1C ZINC000595506107 388387563 /nfs/dbraw/zinc/38/75/63/388387563.db2.gz ZKIBCBHGHRRQFQ-VXGBXAGGSA-N 0 3 214.312 2.441 20 30 BEEDHN C[C@@H]1[C@@H](C)CN1CCc1ccc(C#N)cc1 ZINC000595506105 388387952 /nfs/dbraw/zinc/38/79/52/388387952.db2.gz ZKIBCBHGHRRQFQ-NWDGAFQWSA-N 0 3 214.312 2.441 20 30 BEEDHN CC(C)[C@H]1C[C@H](NCC(C)(C)C#N)CCO1 ZINC000164687820 388397257 /nfs/dbraw/zinc/39/72/57/388397257.db2.gz JNKDIBVYZQREMR-VXGBXAGGSA-N 0 3 224.348 2.329 20 30 BEEDHN CCC[C@H](C)[C@@H](CO)NCC#Cc1ccccc1 ZINC000515303397 256740218 /nfs/dbraw/zinc/74/02/18/256740218.db2.gz BYGYSAMBQFRXTB-GOEBONIOSA-N 0 3 245.366 2.425 20 30 BEEDHN N#CCc1ccc(CN2CCSCC2)cc1 ZINC000335989965 388454879 /nfs/dbraw/zinc/45/48/79/388454879.db2.gz PTHBGDNFUZJVNU-UHFFFAOYSA-N 0 3 232.352 2.301 20 30 BEEDHN C#C[C@H](CC)NCc1ccc2c[nH]nc2c1 ZINC000309629609 388459469 /nfs/dbraw/zinc/45/94/69/388459469.db2.gz GRRICEDSSKDYHH-GFCCVEGCSA-N 0 3 213.284 2.064 20 30 BEEDHN C#C[C@@H](CC)NCc1ccc2[nH]cnc2c1 ZINC000309711740 388461993 /nfs/dbraw/zinc/46/19/93/388461993.db2.gz QVKIDMUUNPGRCJ-NSHDSACASA-N 0 3 213.284 2.064 20 30 BEEDHN C#C[C@@H](CC)NCc1ccc2nc[nH]c2c1 ZINC000309711740 388461994 /nfs/dbraw/zinc/46/19/94/388461994.db2.gz QVKIDMUUNPGRCJ-NSHDSACASA-N 0 3 213.284 2.064 20 30 BEEDHN C=C(C)[C@@H](CO)N(CC)Cc1ccc(OC)cc1 ZINC000649249360 388468722 /nfs/dbraw/zinc/46/87/22/388468722.db2.gz XBVMGQGIFSSDFV-OAHLLOKOSA-N 0 3 249.354 2.454 20 30 BEEDHN CO[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000170821119 388468777 /nfs/dbraw/zinc/46/87/77/388468777.db2.gz QVRFBAMOISMNIO-AWEZNQCLSA-N 0 3 230.311 2.169 20 30 BEEDHN CO[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000170821117 388469219 /nfs/dbraw/zinc/46/92/19/388469219.db2.gz QVRFBAMOISMNIO-CQSZACIVSA-N 0 3 230.311 2.169 20 30 BEEDHN Cc1cc(CNCc2ccn(C)c2)ccc1C#N ZINC000443991235 388421313 /nfs/dbraw/zinc/42/13/13/388421313.db2.gz SWCJLWUYMIKEAT-UHFFFAOYSA-N 0 3 239.322 2.495 20 30 BEEDHN CC[C@@H](C)[C@H](O)CNCc1ccc(C#N)c(C)c1 ZINC000443994712 388425883 /nfs/dbraw/zinc/42/58/83/388425883.db2.gz OYBIPWKXQLFSHH-IAQYHMDHSA-N 0 3 246.354 2.363 20 30 BEEDHN CCOC(=O)CCCCN[C@@H](CC)CC#N ZINC000573217962 388433385 /nfs/dbraw/zinc/43/33/85/388433385.db2.gz VRYOMLIUJHXCQX-NSHDSACASA-N 0 3 226.320 2.002 20 30 BEEDHN CO[C@@]1(C)C[C@H](NCc2ccc(C#N)o2)C1(C)C ZINC000174134733 388435646 /nfs/dbraw/zinc/43/56/46/388435646.db2.gz ZJURRFGRKIIFLC-JSGCOSHPSA-N 0 3 248.326 2.444 20 30 BEEDHN C=CCCC(=O)N(CC)C[C@@H]1CCCN1CC ZINC000548453998 388539200 /nfs/dbraw/zinc/53/92/00/388539200.db2.gz HRINKFIMCNWDQG-ZDUSSCGKSA-N 0 3 238.375 2.285 20 30 BEEDHN CC#CCCNCc1cc(F)cc(OC)c1 ZINC000312282537 388511077 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FDGCGCLPQUPIGN-GHMZBOCLSA-N 0 3 205.305 2.208 20 30 BEEDHN CC[C@@H](C)[C@@H](O)CNCC#Cc1ccccc1 ZINC001335441229 977058085 /nfs/dbraw/zinc/05/80/85/977058085.db2.gz NPBDAWJMWXVLPK-HIFRSBDPSA-N 0 3 231.339 2.035 20 30 BEEDHN CN1CCC=C(Nc2c(C#N)ccc(F)c2F)C1 ZINC001175583065 977512568 /nfs/dbraw/zinc/51/25/68/977512568.db2.gz YROGMRSIKBNEAH-UHFFFAOYSA-N 0 3 249.264 2.468 20 30 BEEDHN C#Cc1cccc(NC2=CCCN(C)C2)c1 ZINC001175577103 977586222 /nfs/dbraw/zinc/58/62/22/977586222.db2.gz WAGMVCOAZZAGSV-UHFFFAOYSA-N 0 3 212.296 2.299 20 30 BEEDHN C=CCC[C@@H]1CCCN1C(=O)CN(CC)CC ZINC001336237353 977588315 /nfs/dbraw/zinc/58/83/15/977588315.db2.gz AJWHZLFEXUGXHH-CYBMUJFWSA-N 0 3 238.375 2.285 20 30 BEEDHN Cc1ccc(NC2=CCCN(C)C2)cc1C#N ZINC001175580151 977593316 /nfs/dbraw/zinc/59/33/16/977593316.db2.gz VJJDRCLFTJVQGN-UHFFFAOYSA-N 0 3 227.311 2.498 20 30 BEEDHN C#CCN1CCC(Nc2ccc(CC)cn2)CC1 ZINC001336416346 977671489 /nfs/dbraw/zinc/67/14/89/977671489.db2.gz BDZLVMRBLJKNRI-UHFFFAOYSA-N 0 3 243.354 2.154 20 30 BEEDHN C=C(C)CCC(=O)N(CC)C1CCN(C)CC1 ZINC001336505268 977730463 /nfs/dbraw/zinc/73/04/63/977730463.db2.gz KYGKNEQISOLQPV-UHFFFAOYSA-N 0 3 238.375 2.285 20 30 BEEDHN Cc1cc(C#N)cc(C#N)c1Nc1ncc[nH]1 ZINC001176084433 977884645 /nfs/dbraw/zinc/88/46/45/977884645.db2.gz QAPBVSRFYXWHQQ-UHFFFAOYSA-N 0 3 223.239 2.205 20 30 BEEDHN C#C[C@@H]1CCCN(Cc2cc3ccncc3[nH]2)C1 ZINC001232095634 977893082 /nfs/dbraw/zinc/89/30/82/977893082.db2.gz MEUOAWTUJBTOSV-GFCCVEGCSA-N 0 3 239.322 2.408 20 30 BEEDHN C[C@@H](C#N)N(C)Cc1cc(F)cc(CN(C)C)c1 ZINC001232152425 977898114 /nfs/dbraw/zinc/89/81/14/977898114.db2.gz XPHWUTWXYYFAIF-NSHDSACASA-N 0 3 249.333 2.231 20 30 BEEDHN N#CCC[C@@H](C#N)CNCC1(O)CCCCCC1 ZINC001336774795 977945793 /nfs/dbraw/zinc/94/57/93/977945793.db2.gz XZGRAZQEJBEPQJ-ZDUSSCGKSA-N 0 3 249.358 2.105 20 30 BEEDHN C#C[C@@H](CC)NC[C@H](O)c1cccc(Cl)c1 ZINC001336808972 977976230 /nfs/dbraw/zinc/97/62/30/977976230.db2.gz AJBYLIWKQXLXGD-STQMWFEESA-N 0 3 237.730 2.375 20 30 BEEDHN C#CC1CCN(Cc2cccc(COC)n2)CC1 ZINC001232256943 977981148 /nfs/dbraw/zinc/98/11/48/977981148.db2.gz FZJHBMYQPPMEOS-UHFFFAOYSA-N 0 3 244.338 2.073 20 30 BEEDHN N#CCC1CCN(Cc2n[nH]c3c2CCC3)CC1 ZINC001232425550 978065031 /nfs/dbraw/zinc/06/50/31/978065031.db2.gz BAVDCNHIWQZYRJ-UHFFFAOYSA-N 0 3 244.342 2.024 20 30 BEEDHN CC1CC(N(C)Cc2cc(C#N)ccn2)C1 ZINC001232474296 978123831 /nfs/dbraw/zinc/12/38/31/978123831.db2.gz AOJVQUAQDFXPPN-UHFFFAOYSA-N 0 3 215.300 2.184 20 30 BEEDHN C=CCN(C)Cc1cncc2cnccc21 ZINC001232652515 978213651 /nfs/dbraw/zinc/21/36/51/978213651.db2.gz VQMLMSCMEARVHR-UHFFFAOYSA-N 0 3 213.284 2.248 20 30 BEEDHN CNc1ccccc1CN1CCC(C#N)CC1 ZINC001232666704 978215368 /nfs/dbraw/zinc/21/53/68/978215368.db2.gz MALNSHYGFJLMKU-UHFFFAOYSA-N 0 3 229.327 2.464 20 30 BEEDHN C=CCC[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001337480264 978359589 /nfs/dbraw/zinc/35/95/89/978359589.db2.gz UGEHYNNNMGUWCY-ZDUSSCGKSA-N 0 3 238.375 2.284 20 30 BEEDHN Cc1ccc(CN(C)C2CCOCC2)c(C#N)c1 ZINC001232963002 978359496 /nfs/dbraw/zinc/35/94/96/978359496.db2.gz XAWWRQRPTZGGJT-UHFFFAOYSA-N 0 3 244.338 2.478 20 30 BEEDHN COC[C@H]1CCN(Cc2ccc(C)cc2C#N)C1 ZINC001232964023 978361288 /nfs/dbraw/zinc/36/12/88/978361288.db2.gz ODRIBVQGJBUPNY-ZDUSSCGKSA-N 0 3 244.338 2.335 20 30 BEEDHN Cc1ccc(CN2CC(C)(N(C)C)C2)c(C#N)c1 ZINC001232967543 978370106 /nfs/dbraw/zinc/37/01/06/978370106.db2.gz PTDYFQAHJJXSKC-UHFFFAOYSA-N 0 3 243.354 2.003 20 30 BEEDHN CO[C@H](C)C1CN(Cc2ccc(C#N)cc2C)C1 ZINC001233083737 978464315 /nfs/dbraw/zinc/46/43/15/978464315.db2.gz YXSIVVIXGHRMSG-GFCCVEGCSA-N 0 3 244.338 2.333 20 30 BEEDHN C=CCCN1CC[C@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233500504 978616117 /nfs/dbraw/zinc/61/61/17/978616117.db2.gz JSXWASUFIDKCPS-DANTVBBOSA-N 0 3 248.370 2.061 20 30 BEEDHN CC(C)CC[C@@H](O)CNCC1(C#N)CCCC1 ZINC001338535058 978701615 /nfs/dbraw/zinc/70/16/15/978701615.db2.gz RBLUQUOPWXJQFS-CYBMUJFWSA-N 0 3 238.375 2.457 20 30 BEEDHN CC(C#N)C(=O)Nc1c(C#N)oc2ccccc21 ZINC001179888182 978771141 /nfs/dbraw/zinc/77/11/41/978771141.db2.gz DFCPQBGWSBEREG-QMMMGPOBSA-N 0 3 239.234 2.403 20 30 BEEDHN CCCCCCCC[C@H](N)C(=O)N(C)OC ZINC001340130000 978975774 /nfs/dbraw/zinc/97/57/74/978975774.db2.gz XQTRTNBBSUAIAM-NSHDSACASA-N 0 3 230.352 2.084 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCCC1(C)C ZINC001340077978 978965327 /nfs/dbraw/zinc/96/53/27/978965327.db2.gz JHEBRCAKLGVACJ-VXGBXAGGSA-N 0 3 238.375 2.365 20 30 BEEDHN CC(=O)[C@@H]1CCN(Cc2ccccc2CC#N)C1 ZINC001235524235 979066549 /nfs/dbraw/zinc/06/65/49/979066549.db2.gz CXNBPWAFYRKNEL-CQSZACIVSA-N 0 3 242.322 2.164 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](C(C)C)C1 ZINC001340769077 979101660 /nfs/dbraw/zinc/10/16/60/979101660.db2.gz TYPIVSUFVJASQD-OLZOCXBDSA-N 0 3 238.375 2.175 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N[C@H](C(C)C)C1CC1 ZINC001341400852 979375952 /nfs/dbraw/zinc/37/59/52/979375952.db2.gz KYPGVJQVESAGSW-QWHCGFSZSA-N 0 3 238.375 2.221 20 30 BEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)cc(N)c1 ZINC001341510230 979443004 /nfs/dbraw/zinc/44/30/04/979443004.db2.gz ZFITWEJVZKDJBO-ZDUSSCGKSA-N 0 3 247.342 2.199 20 30 BEEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(C)C)C2 ZINC001110256268 979470431 /nfs/dbraw/zinc/47/04/31/979470431.db2.gz DMOXMESHKRLMMJ-MCIONIFRSA-N 0 3 248.370 2.250 20 30 BEEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C\C)C1 ZINC001111689821 979484973 /nfs/dbraw/zinc/48/49/73/979484973.db2.gz SGNABQZNOFIXAJ-QONGFETOSA-N 0 3 248.370 2.109 20 30 BEEDHN C=CC(C)(C)CC(=O)N1[C@H](C)CN[C@H](C)[C@@H]1C ZINC001341780598 979557803 /nfs/dbraw/zinc/55/78/03/979557803.db2.gz MIGLTCGGTLYVEZ-UTUOFQBUSA-N 0 3 238.375 2.186 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC001341831865 979573179 /nfs/dbraw/zinc/57/31/79/979573179.db2.gz UMGCGNSWGAJAJC-AVGNSLFASA-N 0 3 238.375 2.175 20 30 BEEDHN COc1ccc(C#N)cc1-c1cccc(CN)n1 ZINC001236536643 979618878 /nfs/dbraw/zinc/61/88/78/979618878.db2.gz YKHQGYHAWCUBBT-UHFFFAOYSA-N 0 3 239.278 2.088 20 30 BEEDHN Cc1cscc1C(=O)C(C#N)c1nccn1C ZINC001342268170 979746344 /nfs/dbraw/zinc/74/63/44/979746344.db2.gz LFTJSZQWXLEIIP-SECBINFHSA-N 0 3 245.307 2.280 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)NC[C@@]1(C)CC1(C)C ZINC001342458960 979806328 /nfs/dbraw/zinc/80/63/28/979806328.db2.gz UGWPCNNUJVSCFQ-BXUZGUMPSA-N 0 3 238.375 2.222 20 30 BEEDHN CCCN(CC)Cc1cn2cc(C#N)ccc2n1 ZINC001237603139 979966935 /nfs/dbraw/zinc/96/69/35/979966935.db2.gz IQMOOKRIXJNLJX-UHFFFAOYSA-N 0 3 242.326 2.438 20 30 BEEDHN CC[C@H](C)N(C)Cc1cn2cc(C#N)ccc2n1 ZINC001237603737 979966985 /nfs/dbraw/zinc/96/69/85/979966985.db2.gz FZQQVKFQJWVUDJ-NSHDSACASA-N 0 3 242.326 2.436 20 30 BEEDHN C=CCCCN(CC)C(=O)[C@@H](N)CC(=C)Cl ZINC001343125438 980018687 /nfs/dbraw/zinc/01/86/87/980018687.db2.gz SITQBVQNGXTWMB-NSHDSACASA-N 0 3 244.766 2.271 20 30 BEEDHN C=CC(C)(C)NC(=O)C[C@@H](N)c1ccccc1 ZINC001343165153 980027875 /nfs/dbraw/zinc/02/78/75/980027875.db2.gz DDYLKTFIODLKRH-GFCCVEGCSA-N 0 3 232.327 2.157 20 30 BEEDHN C=CCCN(C)Cc1cccnc1N(C)C ZINC001343274836 980051299 /nfs/dbraw/zinc/05/12/99/980051299.db2.gz JQOSFEAVBQDADE-UHFFFAOYSA-N 0 3 219.332 2.156 20 30 BEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C)n1 ZINC001343355047 980077668 /nfs/dbraw/zinc/07/76/68/980077668.db2.gz VXMIKFXLKKNFGX-NSHDSACASA-N 0 3 233.315 2.012 20 30 BEEDHN C=CCCC[C@H](N)C(=O)NCC[C@H](C)CC ZINC001343987586 980307992 /nfs/dbraw/zinc/30/79/92/980307992.db2.gz UOTQSBQOKCPRLR-NEPJUHHUSA-N 0 3 226.364 2.222 20 30 BEEDHN CCc1cc(CN2CCC[C@@H](O)C2)ccc1C#N ZINC001238762137 980319467 /nfs/dbraw/zinc/31/94/67/980319467.db2.gz AVCRRTRWWZHVKC-OAHLLOKOSA-N 0 3 244.338 2.077 20 30 BEEDHN CCc1cc(CN2C[C@@H](O)C[C@H]2C)ccc1C#N ZINC001238767409 980321866 /nfs/dbraw/zinc/32/18/66/980321866.db2.gz UVFOQKNCIWDLKI-ABAIWWIYSA-N 0 3 244.338 2.076 20 30 BEEDHN CCn1ccnc1C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC001344325822 980368923 /nfs/dbraw/zinc/36/89/23/980368923.db2.gz NMMBKPQVLRGBGI-MNOVXSKESA-N 0 3 243.310 2.269 20 30 BEEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CC12CCC2 ZINC001344325821 980369337 /nfs/dbraw/zinc/36/93/37/980369337.db2.gz NMMBKPQVLRGBGI-GHMZBOCLSA-N 0 3 243.310 2.269 20 30 BEEDHN CCn1ccnc1C(C#N)C(=O)C1CC2(CC2)C1 ZINC001344865055 980489428 /nfs/dbraw/zinc/48/94/28/980489428.db2.gz YGMLDTPFTFYZQD-LLVKDONJSA-N 0 3 243.310 2.269 20 30 BEEDHN C=C(CC)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001346231159 980794183 /nfs/dbraw/zinc/79/41/83/980794183.db2.gz VZYSHKAYHSBCKZ-AWEZNQCLSA-N 0 3 246.354 2.372 20 30 BEEDHN C=CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)CC)C1 ZINC001189859110 980819962 /nfs/dbraw/zinc/81/99/62/980819962.db2.gz WRSKWIGWIPJTBI-CHWSQXEVSA-N 0 3 238.375 2.141 20 30 BEEDHN C=CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)CC)C1 ZINC001189859113 980820408 /nfs/dbraw/zinc/82/04/08/980820408.db2.gz WRSKWIGWIPJTBI-STQMWFEESA-N 0 3 238.375 2.141 20 30 BEEDHN [NH3+]Cc1cncc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001239804349 980941754 /nfs/dbraw/zinc/94/17/54/980941754.db2.gz PEKLQIBNNVMFAB-REZTVBANSA-N 0 3 245.257 2.155 20 30 BEEDHN C[C@@H]1C[C@H](C)N(Cc2cc(C#N)ccn2)C1 ZINC001191172800 980988942 /nfs/dbraw/zinc/98/89/42/980988942.db2.gz AGVCLNZWQIWYQD-MNOVXSKESA-N 0 3 215.300 2.184 20 30 BEEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC2(CC2)CC1=O ZINC001347245146 981020045 /nfs/dbraw/zinc/02/00/45/981020045.db2.gz YHWCYJKIMFPEBY-BETUJISGSA-N 0 3 246.354 2.139 20 30 BEEDHN Cn1c(Cl)cnc1C(C#N)C(=O)C1CC=CC1 ZINC001347336926 981050235 /nfs/dbraw/zinc/05/02/35/981050235.db2.gz AFZAUFKQXBEUKW-VIFPVBQESA-N 0 3 249.701 2.216 20 30 BEEDHN C=CCN(C)[C@H]1CCN(C(=O)C/C=C(\C)C=C)C1 ZINC001191790222 981087179 /nfs/dbraw/zinc/08/71/79/981087179.db2.gz LBWJALCSZASJDG-GUNGLEHYSA-N 0 3 248.370 2.228 20 30 BEEDHN C[C@@H](CC#N)C(=O)C(C#N)c1ncc(F)cc1F ZINC001347992045 981240383 /nfs/dbraw/zinc/24/03/83/981240383.db2.gz BGGUCLGYOPSLST-IONNQARKSA-N 0 3 249.220 2.086 20 30 BEEDHN C[C@@H](c1ccccn1)N1CC[C@@H](OCCC#N)C1 ZINC001205622750 981261234 /nfs/dbraw/zinc/26/12/34/981261234.db2.gz YGXSAXIANVRYPF-QWHCGFSZSA-N 0 3 245.326 2.147 20 30 BEEDHN C=CCOC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001194331031 981759722 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CN(C)CCSCc1ccccc1C#N ZINC000058240527 384756032 /nfs/dbraw/zinc/75/60/32/384756032.db2.gz FMVCZTBSCOVVQK-UHFFFAOYSA-N 0 3 220.341 2.353 20 30 BEEDHN C=C(C)COCCN[C@@H](C)c1ccccn1 ZINC000090451017 384822876 /nfs/dbraw/zinc/82/28/76/384822876.db2.gz TXRVFMWLSZCHSL-LBPRGKRZSA-N 0 3 220.316 2.325 20 30 BEEDHN CSCCNC1(c2cccc(C#N)c2)CC1 ZINC000309843964 384801634 /nfs/dbraw/zinc/80/16/34/384801634.db2.gz FTDXPFOQPWGHNM-UHFFFAOYSA-N 0 3 232.352 2.500 20 30 BEEDHN Cc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354459755 384885843 /nfs/dbraw/zinc/88/58/43/384885843.db2.gz DIVAYSREDSLQBL-LBPRGKRZSA-N 0 3 237.262 2.275 20 30 BEEDHN C=CCCCCCN1CCCC[C@H]1C(=O)NC ZINC000193327962 384952148 /nfs/dbraw/zinc/95/21/48/384952148.db2.gz AILQGVNGCWAOFW-ZDUSSCGKSA-N 0 3 238.375 2.333 20 30 BEEDHN C=CCN[C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000152053199 384924651 /nfs/dbraw/zinc/92/46/51/384924651.db2.gz INEIFUGJJAIWTC-DGCLKSJQSA-N 0 3 233.311 2.312 20 30 BEEDHN C#CCN(CC)C[C@@H]1CCCC1(F)F ZINC000491463557 384930303 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BEEDHN C[C@@H](CC#N)NC[C@@H]1CCC(F)(F)C1 ZINC000308675209 385597472 /nfs/dbraw/zinc/59/74/72/385597472.db2.gz VYWUJYIUGKSFIQ-DTWKUNHWSA-N 0 3 202.248 2.314 20 30 BEEDHN C[C@@H](N[C@@H]1CCC[C@H]1O)c1ccc(C#N)cc1F ZINC000453406589 385599310 /nfs/dbraw/zinc/59/93/10/385599310.db2.gz LAKSZTPDDOOCPO-OWYVNGRQSA-N 0 3 248.301 2.261 20 30 BEEDHN CCCC(C)(C)NC(=O)[C@H](N)CCCCC#N ZINC000594440131 385601324 /nfs/dbraw/zinc/60/13/24/385601324.db2.gz UPCZFAFRHUGJHZ-LLVKDONJSA-N 0 3 239.363 2.093 20 30 BEEDHN CSC[C@@H]1CCCN(CCCC#N)C1 ZINC000336681958 385636491 /nfs/dbraw/zinc/63/64/91/385636491.db2.gz HWTNAVJVBPVLAR-LLVKDONJSA-N 0 3 212.362 2.365 20 30 BEEDHN CC[C@H](C)[C@H](O)CNCc1ccc(C#N)cc1 ZINC000264885387 385691856 /nfs/dbraw/zinc/69/18/56/385691856.db2.gz VMDHSXQSDMHREB-SMDDNHRTSA-N 0 3 232.327 2.055 20 30 BEEDHN C[C@H](NCCCCC#N)c1nnc2ccccn21 ZINC000182677017 385694710 /nfs/dbraw/zinc/69/47/10/385694710.db2.gz LHDDTLDZZOUJGO-NSHDSACASA-N 0 3 243.314 2.074 20 30 BEEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(C)o1 ZINC000309586391 385711853 /nfs/dbraw/zinc/71/18/53/385711853.db2.gz RWHNVRGTNWTZOD-NEPJUHHUSA-N 0 3 223.316 2.423 20 30 BEEDHN C=CCC[C@H](CO)N[C@H](C)c1cncc(F)c1 ZINC000320224012 385750330 /nfs/dbraw/zinc/75/03/30/385750330.db2.gz AKFAOJRODKOAOI-ZWNOBZJWSA-N 0 3 238.306 2.198 20 30 BEEDHN CC#CCN[C@H]1CCCO[C@@H]1CC(C)C ZINC000186384321 385757256 /nfs/dbraw/zinc/75/72/56/385757256.db2.gz GROVSLKMCRAHCB-QWHCGFSZSA-N 0 3 209.333 2.193 20 30 BEEDHN CC#CCN[C@@H]1CCCO[C@H]1CC(C)C ZINC000186384340 385758741 /nfs/dbraw/zinc/75/87/41/385758741.db2.gz GROVSLKMCRAHCB-OLZOCXBDSA-N 0 3 209.333 2.193 20 30 BEEDHN C=CC[C@H](CO)N[C@@H](C)c1ccccc1OC ZINC000186695120 385781534 /nfs/dbraw/zinc/78/15/34/385781534.db2.gz PMTMPGIOIYDEKG-NWDGAFQWSA-N 0 3 235.327 2.283 20 30 BEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(CC)o1 ZINC000186714136 385784801 /nfs/dbraw/zinc/78/48/01/385784801.db2.gz FHYOOWWXFYOZOI-QWRGUYRKSA-N 0 3 223.316 2.430 20 30 BEEDHN N#Cc1csc(CNCC2=CCOCC2)c1 ZINC000397901953 385726209 /nfs/dbraw/zinc/72/62/09/385726209.db2.gz XUDJCAKOLLIBIY-UHFFFAOYSA-N 0 3 234.324 2.056 20 30 BEEDHN CC(C)(C#N)CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000602614987 385808378 /nfs/dbraw/zinc/80/83/78/385808378.db2.gz OLGHLBBFYPCSEQ-SRVKXCTJSA-N 0 3 234.343 2.083 20 30 BEEDHN C[C@H](O)C[C@@H]1CCCN1Cc1ccccc1C#N ZINC000159235666 385837963 /nfs/dbraw/zinc/83/79/63/385837963.db2.gz FPQLACDCCSAXKB-WFASDCNBSA-N 0 3 244.338 2.294 20 30 BEEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@H]1CCOC1 ZINC000121679195 385860358 /nfs/dbraw/zinc/86/03/58/385860358.db2.gz VGHTWBWXJLKIGA-GFCCVEGCSA-N 0 3 248.301 2.166 20 30 BEEDHN N#Cc1cccc(CN2CC([C@@H]3CCOC3)C2)c1 ZINC000366244966 385877998 /nfs/dbraw/zinc/87/79/98/385877998.db2.gz GRKPEBSDPWCMMA-CQSZACIVSA-N 0 3 242.322 2.027 20 30 BEEDHN CC(C)[C@@H]1N(C(=O)C(C)C#N)CC12CCC2 ZINC000334321428 385985677 /nfs/dbraw/zinc/98/56/77/385985677.db2.gz HZGBIOBKNFAKPB-MNOVXSKESA-N 0 3 220.316 2.183 20 30 BEEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000219887199 385947669 /nfs/dbraw/zinc/94/76/69/385947669.db2.gz UKHVXLFJYIRNOX-ZWNOBZJWSA-N 0 3 248.301 2.354 20 30 BEEDHN C=CC[C@@H](C)NCc1c(Cl)cnn1C ZINC000189215127 385952100 /nfs/dbraw/zinc/95/21/00/385952100.db2.gz OTILVQYYXYJNSG-MRVPVSSYSA-N 0 3 213.712 2.128 20 30 BEEDHN C=CCCCN(C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425402609 385966048 /nfs/dbraw/zinc/96/60/48/385966048.db2.gz IWECDVLWKXUPLY-LBPRGKRZSA-N 0 3 238.375 2.284 20 30 BEEDHN CO[C@@H](C)CN(C)Cc1ccc(C#N)cc1 ZINC000182017216 386023557 /nfs/dbraw/zinc/02/35/57/386023557.db2.gz BNNVLXVTRGTMLY-NSHDSACASA-N 0 3 218.300 2.025 20 30 BEEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OC)cc1C ZINC000414165545 386047887 /nfs/dbraw/zinc/04/78/87/386047887.db2.gz PUCIGULSEBRQCE-NEPJUHHUSA-N 0 3 235.327 2.201 20 30 BEEDHN CC[C@@H](NCC(C)(C)CC#N)c1cnn(C)c1 ZINC000414168125 386050637 /nfs/dbraw/zinc/05/06/37/386050637.db2.gz QHPPPMNVRAHBKK-GFCCVEGCSA-N 0 3 234.347 2.401 20 30 BEEDHN COc1cc(CN[C@@H]2CC2(C)C)ccc1C#N ZINC000234940306 386118879 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ZINC000309246226 323330911 /nfs/dbraw/zinc/33/09/11/323330911.db2.gz ZHZGEZDVABCEGT-IJLUTSLNSA-N 0 3 210.321 2.083 20 30 BEEDHN C=CCCCC(=O)N1CCCN(C(C)C)CC1 ZINC000359172750 323354144 /nfs/dbraw/zinc/35/41/44/323354144.db2.gz HLAZDZDOFLWIIW-UHFFFAOYSA-N 0 3 238.375 2.285 20 30 BEEDHN CCC#C[C@H](C)N1CCC(OCC)CC1 ZINC000677047936 487959351 /nfs/dbraw/zinc/95/93/51/487959351.db2.gz LBWSJWYLNOZRKK-LBPRGKRZSA-N 0 3 209.333 2.289 20 30 BEEDHN C=CCN(C)Cc1cc2ccccc2[nH]c1=O ZINC000121523636 324016038 /nfs/dbraw/zinc/01/60/38/324016038.db2.gz BPQZDZRQFCPNCC-UHFFFAOYSA-N 0 3 228.295 2.146 20 30 BEEDHN C#CCN(C[C@@H](O)CC1CCCC1)C1CC1 ZINC000491792913 324161776 /nfs/dbraw/zinc/16/17/76/324161776.db2.gz IENBYNVRAJRMOK-AWEZNQCLSA-N 0 3 221.344 2.025 20 30 BEEDHN C[C@@H](C#N)CN[C@H](C)C1CC(F)(F)C1 ZINC000529541335 324318006 /nfs/dbraw/zinc/31/80/06/324318006.db2.gz KOCHGRIJEACVOT-JGVFFNPUSA-N 0 3 202.248 2.169 20 30 BEEDHN CC(C#N)C(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000542676342 325041322 /nfs/dbraw/zinc/04/13/22/325041322.db2.gz PIUSDMAHVMQEAF-NQBHXWOUSA-N 0 3 243.310 2.151 20 30 BEEDHN CC#CCCN(Cc1ccccc1)C[C@H](C)O ZINC000545903482 325244961 /nfs/dbraw/zinc/24/49/61/325244961.db2.gz WDYNSRZUEBBWDR-AWEZNQCLSA-N 0 3 231.339 2.283 20 30 BEEDHN CC#CCN(C[C@H]1CCCO1)C1CCCC1 ZINC000075831273 325315367 /nfs/dbraw/zinc/31/53/67/325315367.db2.gz IOAJSFYOPCWFRV-CQSZACIVSA-N 0 3 221.344 2.433 20 30 BEEDHN N#CC1(CN[C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000547405697 325351481 /nfs/dbraw/zinc/35/14/81/325351481.db2.gz OIXLGPVTRIQUME-MELADBBJSA-N 0 3 248.370 2.475 20 30 BEEDHN COC1(CNCc2cc(C#N)cs2)CCC1 ZINC000134660178 325370666 /nfs/dbraw/zinc/37/06/66/325370666.db2.gz VTZGTPJCGXOVJP-UHFFFAOYSA-N 0 3 236.340 2.278 20 30 BEEDHN C=C(C)CN(CC)C(=O)CN1CCCC1(C)C ZINC000077483650 325378908 /nfs/dbraw/zinc/37/89/08/325378908.db2.gz XUYJUDGNEZBZTP-UHFFFAOYSA-N 0 3 238.375 2.285 20 30 BEEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1CC ZINC000134912061 325382522 /nfs/dbraw/zinc/38/25/22/325382522.db2.gz KKRLAYKYKIROMI-OCCSQVGLSA-N 0 3 238.375 2.189 20 30 BEEDHN Cc1ccnc(NC[C@@H]2CCCN(C)C2)c1C#N ZINC000135072238 325391493 /nfs/dbraw/zinc/39/14/93/325391493.db2.gz GCBZNBUXFBVQNK-LBPRGKRZSA-N 0 3 244.342 2.015 20 30 BEEDHN N#Cc1ccc(CNCCCOCC2CC2)o1 ZINC000135134941 325396786 /nfs/dbraw/zinc/39/67/86/325396786.db2.gz VTLZYQKZAYIOGK-UHFFFAOYSA-N 0 3 234.299 2.058 20 30 BEEDHN N#Cc1ccc(CNCCc2cscn2)s1 ZINC000135501066 325415610 /nfs/dbraw/zinc/41/56/10/325415610.db2.gz VDBXKKWNRRAPOR-UHFFFAOYSA-N 0 3 249.364 2.409 20 30 BEEDHN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248751022 325620234 /nfs/dbraw/zinc/62/02/34/325620234.db2.gz CAWQIIJEKJDHMZ-CYZMBNFOSA-N 0 3 246.358 2.462 20 30 BEEDHN N#Cc1cccc(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000153678588 326106962 /nfs/dbraw/zinc/10/69/62/326106962.db2.gz MUAWXIRESOYMCT-OAHLLOKOSA-N 0 3 242.322 2.171 20 30 BEEDHN C#CCN(CCOCC(F)(F)F)C1CCCC1 ZINC000155924041 326214727 /nfs/dbraw/zinc/21/47/27/326214727.db2.gz YSSNAOCIULDTET-UHFFFAOYSA-N 0 3 249.276 2.443 20 30 BEEDHN C=CC[C@@H](C)NC(=O)C[C@H](N)Cc1ccccc1 ZINC000567799179 326259854 /nfs/dbraw/zinc/25/98/54/326259854.db2.gz FEDAUBDELZRXCF-TZMCWYRMSA-N 0 3 246.354 2.027 20 30 BEEDHN Cc1ccc([C@@H]2C[C@H]2NC(=O)C(C)C#N)cc1 ZINC000568095080 326307606 /nfs/dbraw/zinc/30/76/06/326307606.db2.gz YEBZYSORXGTCJQ-KGYLQXTDSA-N 0 3 228.295 2.127 20 30 BEEDHN C=C(C)CN(CC)Cc1c(C)n[nH]c1C ZINC000158987816 326347550 /nfs/dbraw/zinc/34/75/50/326347550.db2.gz BRVVUNKMDHEKFK-UHFFFAOYSA-N 0 3 207.321 2.425 20 30 BEEDHN CCC#C[C@@H](C)N1CCC(c2ncc[nH]2)CC1 ZINC000677479056 488047959 /nfs/dbraw/zinc/04/79/59/488047959.db2.gz IWKMVSXWFMFQBB-GFCCVEGCSA-N 0 3 231.343 2.391 20 30 BEEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(OC)c(C)c1 ZINC000677477956 488048155 /nfs/dbraw/zinc/04/81/55/488048155.db2.gz GMAHCYJNQXLCSB-CQSZACIVSA-N 0 3 249.354 2.372 20 30 BEEDHN C=C(C)[C@@H](CO)N1CC[C@@H](Nc2ccccc2)C1 ZINC000677479536 488050223 /nfs/dbraw/zinc/05/02/23/488050223.db2.gz OPMQDLLYQCOZDH-HUUCEWRRSA-N 0 3 246.354 2.110 20 30 BEEDHN CCC#C[C@H](C)N(C)C[C@@H]1CCCCO1 ZINC000677477206 488102748 /nfs/dbraw/zinc/10/27/48/488102748.db2.gz ACQSLOGCSZEHAL-STQMWFEESA-N 0 3 209.333 2.289 20 30 BEEDHN C=CCC[C@@H](O)CN1CC2(C1)CC(F)(F)C2 ZINC000677732874 488111140 /nfs/dbraw/zinc/11/11/40/488111140.db2.gz LEPOMQXPHJLSJS-SNVBAGLBSA-N 0 3 231.286 2.045 20 30 BEEDHN C=CCC[C@H](O)CN1CC2(C1)CC(F)(F)C2 ZINC000677732872 488111698 /nfs/dbraw/zinc/11/16/98/488111698.db2.gz LEPOMQXPHJLSJS-JTQLQIEISA-N 0 3 231.286 2.045 20 30 BEEDHN CC[C@@H](C)CN(C)C[C@H](C#N)CCC#N ZINC000112560521 488119355 /nfs/dbraw/zinc/11/93/55/488119355.db2.gz MHODGHMDAUZIGC-NEPJUHHUSA-N 0 3 207.321 2.408 20 30 BEEDHN C=CCCN1CCN(Cc2ccc(O)cc2)CC1 ZINC000684966691 487476544 /nfs/dbraw/zinc/47/65/44/487476544.db2.gz LZRKLLVZXQOMLV-UHFFFAOYSA-N 0 3 246.354 2.086 20 30 BEEDHN C=CCC[C@@H](O)CN[C@H](C)c1cnccc1C ZINC000679943504 487499845 /nfs/dbraw/zinc/49/98/45/487499845.db2.gz WKDNQDHYWBHKSZ-CHWSQXEVSA-N 0 3 234.343 2.368 20 30 BEEDHN C#CCN(Cc1ccc(COC)cc1)C1CC1 ZINC000274049156 487507496 /nfs/dbraw/zinc/50/74/96/487507496.db2.gz BVMOWEQQHFZALF-UHFFFAOYSA-N 0 3 229.323 2.431 20 30 BEEDHN C=C(C)C[N@@H+](CC)Cc1ncccc1[O-] ZINC000685407796 487516575 /nfs/dbraw/zinc/51/65/75/487516575.db2.gz JBTDHUDYOIGDHU-UHFFFAOYSA-N 0 3 206.289 2.185 20 30 BEEDHN C=C(C)C[N@H+](CC)Cc1ncccc1[O-] ZINC000685407796 487516577 /nfs/dbraw/zinc/51/65/77/487516577.db2.gz JBTDHUDYOIGDHU-UHFFFAOYSA-N 0 3 206.289 2.185 20 30 BEEDHN CCC#C[C@@H](C)N[C@H]1Cc2cccc(O)c2C1 ZINC000683224207 488134197 /nfs/dbraw/zinc/13/41/97/488134197.db2.gz FCAILGRZFHPLMA-YPMHNXCESA-N 0 3 229.323 2.251 20 30 BEEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C)n1C ZINC000657862884 488155127 /nfs/dbraw/zinc/15/51/27/488155127.db2.gz RLICGFWUCAZJFD-QWHCGFSZSA-N 0 3 248.374 2.348 20 30 BEEDHN C=C(C)[C@H](CO)N(CC)Cc1ccccc1 ZINC000677951187 488164364 /nfs/dbraw/zinc/16/43/64/488164364.db2.gz HZLZMCLBWWPVML-AWEZNQCLSA-N 0 3 219.328 2.446 20 30 BEEDHN C[C@@H]1CCN(C)CCN1Cc1cccc(C#N)c1 ZINC000334173915 488177926 /nfs/dbraw/zinc/17/79/26/488177926.db2.gz AGOBXHFCJBXWEQ-CYBMUJFWSA-N 0 3 243.354 2.084 20 30 BEEDHN C=C(C)[C@@H](CO)N1CC[C@@H](CC(F)(F)F)C1 ZINC000683524944 488185404 /nfs/dbraw/zinc/18/54/04/488185404.db2.gz LKSPIONXTZCFHU-VHSXEESVSA-N 0 3 237.265 2.198 20 30 BEEDHN C=C(C)[C@H](CO)N1CCc2ccsc2C1 ZINC000678049652 488186708 /nfs/dbraw/zinc/18/67/08/488186708.db2.gz OBOMTTVPNJNUJJ-NSHDSACASA-N 0 3 223.341 2.043 20 30 BEEDHN C=C[C@H]1CCCCN1Cc1cnn2c1CCC2 ZINC000668077944 488198550 /nfs/dbraw/zinc/19/85/50/488198550.db2.gz AWJZRFOXHHOHQR-ZDUSSCGKSA-N 0 3 231.343 2.370 20 30 BEEDHN C=C[C@@H]1CCCCN1Cc1cnn2c1CCC2 ZINC000668077943 488198973 /nfs/dbraw/zinc/19/89/73/488198973.db2.gz AWJZRFOXHHOHQR-CYBMUJFWSA-N 0 3 231.343 2.370 20 30 BEEDHN C=C(CC)CN1CCN(c2ccncc2)CC1 ZINC000678625217 488273714 /nfs/dbraw/zinc/27/37/14/488273714.db2.gz PKPWJFYDZHHZSI-UHFFFAOYSA-N 0 3 231.343 2.170 20 30 BEEDHN CCOc1cccc([C@H](C)NCC#CCOC)c1 ZINC000678756350 488280574 /nfs/dbraw/zinc/28/05/74/488280574.db2.gz DCYFJMORCDBHST-ZDUSSCGKSA-N 0 3 247.338 2.386 20 30 BEEDHN C=CC[C@H](CO)NCc1c(F)cccc1CC ZINC000684395401 488305097 /nfs/dbraw/zinc/30/50/97/488305097.db2.gz BGKAAGAMXJRNNZ-GFCCVEGCSA-N 0 3 237.318 2.415 20 30 BEEDHN C=CCN(Cc1cccs1)C[C@@H](C)CO ZINC000120497615 490062875 /nfs/dbraw/zinc/06/28/75/490062875.db2.gz KQOBZFNJINSRLQ-LLVKDONJSA-N 0 3 225.357 2.365 20 30 BEEDHN C=CCN(Cc1ccccc1)C[C@H](C)CO ZINC000120523226 490063316 /nfs/dbraw/zinc/06/33/16/490063316.db2.gz JELCPRRZEWAOFG-ZDUSSCGKSA-N 0 3 219.328 2.303 20 30 BEEDHN C=CC[C@H](C)[C@H](C)NCc1nccn1C ZINC000167249809 490091955 /nfs/dbraw/zinc/09/19/55/490091955.db2.gz UTAHFXDBXVMEHR-QWRGUYRKSA-N 0 3 207.321 2.110 20 30 BEEDHN C[C@@H]1CN(Cc2ccccc2C#N)[C@@H](C)CN1C ZINC000334175098 490243915 /nfs/dbraw/zinc/24/39/15/490243915.db2.gz CEKGMKBSIPNCFZ-OLZOCXBDSA-N 0 3 243.354 2.083 20 30 BEEDHN CCC#C[C@@H](C)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000677047867 490324752 /nfs/dbraw/zinc/32/47/52/490324752.db2.gz IIUYNTVDKSOHMN-KGLIPLIRSA-N 0 3 245.370 2.086 20 30 BEEDHN COCCN(Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000229748673 490393397 /nfs/dbraw/zinc/39/33/97/490393397.db2.gz UKJAIFSPHMGODT-UHFFFAOYSA-N 0 3 248.301 2.308 20 30 BEEDHN Cn1cc(CN2CCC(CC#N)CC2)cc1C#N ZINC000335291563 491122486 /nfs/dbraw/zinc/12/24/86/491122486.db2.gz FGKWFYAKXQTILA-UHFFFAOYSA-N 0 3 242.326 2.022 20 30 BEEDHN COCC#CCN[C@H](CC(F)(F)F)C(C)C ZINC000309672837 491153714 /nfs/dbraw/zinc/15/37/14/491153714.db2.gz WSBSMSSFOKBTFK-SNVBAGLBSA-N 0 3 237.265 2.203 20 30 BEEDHN C=CC[C@@H](CO)NCc1ccsc1C ZINC000293251716 534316997 /nfs/dbraw/zinc/31/69/97/534316997.db2.gz MCCLMBFTFPJUDL-NSHDSACASA-N 0 3 211.330 2.083 20 30 BEEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(C#N)o1 ZINC000280632695 534369133 /nfs/dbraw/zinc/36/91/33/534369133.db2.gz MIJXOUIDKIHQGV-SMDDNHRTSA-N 0 3 246.310 2.222 20 30 BEEDHN C=C(CC)CN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348205381 534403434 /nfs/dbraw/zinc/40/34/34/534403434.db2.gz KBOKCBVTELAHAW-YPMHNXCESA-N 0 3 209.333 2.452 20 30 BEEDHN C=C(CC)CN1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000335700052 534402574 /nfs/dbraw/zinc/40/25/74/534402574.db2.gz SKHHMIWYBVQDMI-ZIAGYGMSSA-N 0 3 239.359 2.223 20 30 BEEDHN C=C(CC)CN[C@@H](CO)c1ccccc1 ZINC000085058516 534419165 /nfs/dbraw/zinc/41/91/65/534419165.db2.gz WEYNZRIAKOVVJL-ZDUSSCGKSA-N 0 3 205.301 2.276 20 30 BEEDHN C=C(Cl)CN1CC[C@H](N2CCCC2)[C@H]1C ZINC000367856963 534440044 /nfs/dbraw/zinc/44/00/44/534440044.db2.gz MVDZTHLBMLOGDJ-NEPJUHHUSA-N 0 3 228.767 2.298 20 30 BEEDHN C=C(Cl)CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374395086 534440670 /nfs/dbraw/zinc/44/06/70/534440670.db2.gz RXOSEQXDEJRNKK-MNOVXSKESA-N 0 3 215.724 2.097 20 30 BEEDHN C=C(Cl)CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374395089 534440846 /nfs/dbraw/zinc/44/08/46/534440846.db2.gz RXOSEQXDEJRNKK-WDEREUQCSA-N 0 3 215.724 2.097 20 30 BEEDHN C=C1CCN(CCCSCC#N)CC1 ZINC000266740678 534466055 /nfs/dbraw/zinc/46/60/55/534466055.db2.gz NZFXURZIPREQKE-UHFFFAOYSA-N 0 3 210.346 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590223102 /nfs/dbraw/zinc/22/31/02/590223102.db2.gz VXEDPNTXCHPLKW-UHFFFAOYSA-N 0 3 243.354 2.466 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)CCC ZINC000876628122 590223441 /nfs/dbraw/zinc/22/34/41/590223441.db2.gz GEADRIAHFJVXFY-NXEZZACHSA-N 0 3 232.755 2.151 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC1CCCC1 ZINC000876629230 590223703 /nfs/dbraw/zinc/22/37/03/590223703.db2.gz FDKGXTJETAMGQQ-LLVKDONJSA-N 0 3 244.766 2.105 20 30 BEEDHN CC[C@H](C)[C@@H](CN1CCC(C#N)CC1)OC ZINC000876652705 590226293 /nfs/dbraw/zinc/22/62/93/590226293.db2.gz HTLQBXFHUPCWRC-WCQYABFASA-N 0 3 224.348 2.283 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000876668192 590227629 /nfs/dbraw/zinc/22/76/29/590227629.db2.gz SVAYHVBUEMCSEV-GDPRMGEGSA-N 0 3 246.782 2.397 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1CC ZINC000876670152 590228561 /nfs/dbraw/zinc/22/85/61/590228561.db2.gz HLYLEILIUMHGSO-LSJOCFKGSA-N 0 3 244.766 2.103 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NCCCC(C)(C)C ZINC000876676883 590229742 /nfs/dbraw/zinc/22/97/42/590229742.db2.gz ZVIPJACCYKNTKI-JTQLQIEISA-N 0 3 246.782 2.399 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]1CC ZINC000876695828 590230006 /nfs/dbraw/zinc/23/00/06/590230006.db2.gz ISXXBUQUSCFAQX-OUAUKWLOSA-N 0 3 244.766 2.151 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000876701403 590231886 /nfs/dbraw/zinc/23/18/86/590231886.db2.gz AZOHWRATCJTXSH-NXEZZACHSA-N 0 3 244.766 2.103 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@@H](C)CC ZINC000876955834 590261126 /nfs/dbraw/zinc/26/11/26/590261126.db2.gz CKICSYZSWCAOIG-VHSXEESVSA-N 0 3 232.755 2.103 20 30 BEEDHN COc1c(C)cnc(CNCCCCC#N)c1C ZINC000877019209 590269310 /nfs/dbraw/zinc/26/93/10/590269310.db2.gz WHUJUPQKZWKFNO-UHFFFAOYSA-N 0 3 247.342 2.491 20 30 BEEDHN COc1ccc([O-])c(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000877036852 590272763 /nfs/dbraw/zinc/27/27/63/590272763.db2.gz SUZPMJSJVPRYTH-NSHDSACASA-N 0 3 248.326 2.430 20 30 BEEDHN C#CCCCNCc1cc(C2CC2)no1 ZINC000877070038 590277152 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ZHNAHSZDDXHYGB-SNVBAGLBSA-N 0 3 240.734 2.363 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)C1CCC1 ZINC000877303774 590310428 /nfs/dbraw/zinc/31/04/28/590310428.db2.gz LWBQRVWOCLRWDM-LBPRGKRZSA-N 0 3 238.375 2.222 20 30 BEEDHN C#C[C@H](C)[N@H+](C)Cc1c(C)cccc1[O-] ZINC000877479383 590336726 /nfs/dbraw/zinc/33/67/26/590336726.db2.gz CASHMZSAVGQWKB-NSHDSACASA-N 0 3 203.285 2.154 20 30 BEEDHN C#C[C@H](C)[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000877479383 590336729 /nfs/dbraw/zinc/33/67/29/590336729.db2.gz CASHMZSAVGQWKB-NSHDSACASA-N 0 3 203.285 2.154 20 30 BEEDHN C[C@H](CCC#N)CNCc1cccnc1F ZINC000877491083 590339850 /nfs/dbraw/zinc/33/98/50/590339850.db2.gz NQWIKRQYLHCYBO-SNVBAGLBSA-N 0 3 221.279 2.250 20 30 BEEDHN C#C[C@H](CC)NCc1ccc2nccnc2c1 ZINC000877512766 590342390 /nfs/dbraw/zinc/34/23/90/590342390.db2.gz ASVAHNNIYHSAIJ-GFCCVEGCSA-N 0 3 225.295 2.131 20 30 BEEDHN C#C[C@H](NC[C@H](Cc1ccccc1)OC)C(C)C ZINC000877512918 590343641 /nfs/dbraw/zinc/34/36/41/590343641.db2.gz GBIGVYCQXUFURF-HOTGVXAUSA-N 0 3 245.366 2.492 20 30 BEEDHN C#C[C@@H](CC)NCc1cccc(NC(C)=O)c1 ZINC000877513411 590344075 /nfs/dbraw/zinc/34/40/75/590344075.db2.gz VHMVUFZSXBQUEH-ZDUSSCGKSA-N 0 3 230.311 2.146 20 30 BEEDHN COc1cccc(C[NH2+]C[C@H](C)CCC#N)c1[O-] ZINC000877525884 590348337 /nfs/dbraw/zinc/34/83/37/590348337.db2.gz MIYRPLTVXPUFNZ-LLVKDONJSA-N 0 3 248.326 2.430 20 30 BEEDHN CC1(C)C(NCc2cccc(C#N)n2)C1(C)C ZINC000877528711 590349453 /nfs/dbraw/zinc/34/94/53/590349453.db2.gz IPMAVDRWFABFNL-UHFFFAOYSA-N 0 3 229.327 2.477 20 30 BEEDHN C#C[C@@H](N[C@H](C)Cc1cnccn1)C(C)(C)C ZINC000877535130 590349936 /nfs/dbraw/zinc/34/99/36/590349936.db2.gz WDKYMDYYFITFLC-DGCLKSJQSA-N 0 3 231.343 2.045 20 30 BEEDHN C=CCC[C@@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877574952 590362772 /nfs/dbraw/zinc/36/27/72/590362772.db2.gz AEYNOFYUXGAOED-ZDUSSCGKSA-N 0 3 235.327 2.117 20 30 BEEDHN C[C@@H](C#N)Oc1ccc(CNC2CSC2)cc1 ZINC000877635216 590380406 /nfs/dbraw/zinc/38/04/06/590380406.db2.gz JIUZPXKOUZGIRX-JTQLQIEISA-N 0 3 248.351 2.182 20 30 BEEDHN C=CC[C@H](C)N1CCN(Cc2cc(C)on2)CC1 ZINC000877904805 590444669 /nfs/dbraw/zinc/44/46/69/590444669.db2.gz PEWROQMXLJZFEU-LBPRGKRZSA-N 0 3 249.358 2.065 20 30 BEEDHN CC(C)[C@H](O)CCN(C)Cc1cccc(C#N)c1 ZINC000877917328 590446683 /nfs/dbraw/zinc/44/66/83/590446683.db2.gz SWBBPQNRZVFBFC-OAHLLOKOSA-N 0 3 246.354 2.397 20 30 BEEDHN C=CC[C@H](C)N1CCN(c2cccc(O)c2)CC1 ZINC000877946183 590454545 /nfs/dbraw/zinc/45/45/45/590454545.db2.gz TZOPXOBGOMKCPJ-ZDUSSCGKSA-N 0 3 246.354 2.479 20 30 BEEDHN C#CCN(CC)C[C@@H]1CCCC(C)(C)O1 ZINC000878167470 590514375 /nfs/dbraw/zinc/51/43/75/590514375.db2.gz UIGYXSRUUHBXSM-LBPRGKRZSA-N 0 3 209.333 2.289 20 30 BEEDHN C=CC[C@@H](C)N(C)Cc1ccc(OC)nc1 ZINC000878290502 590535741 /nfs/dbraw/zinc/53/57/41/590535741.db2.gz NOJUIUQLXQELLW-LLVKDONJSA-N 0 3 220.316 2.487 20 30 BEEDHN C=CC[C@H](C)N1CCCN(CC(F)F)CC1 ZINC000878332813 590548640 /nfs/dbraw/zinc/54/86/40/590548640.db2.gz SSNGNSHKWDQNCY-NSHDSACASA-N 0 3 232.318 2.224 20 30 BEEDHN C=CC[C@@H](C)N[C@H](CO)c1ccsc1 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C=CCN(C)CCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001266323811 957243144 /nfs/dbraw/zinc/24/31/44/957243144.db2.gz OMPVLZMNSAZHNZ-GXTWGEPZSA-N 0 3 238.375 2.047 20 30 BEEDHN N#CC1CCC(Oc2ccnc(N)c2)CC1 ZINC001226658075 975005494 /nfs/dbraw/zinc/00/54/94/975005494.db2.gz UYFUDLZJEUAQSO-UHFFFAOYSA-N 0 3 217.272 2.125 20 30 BEEDHN C=CCC1(NCc2nonc2C)CCCC1 ZINC000690724831 958681369 /nfs/dbraw/zinc/68/13/69/958681369.db2.gz VKBWHQMQCNIWQR-UHFFFAOYSA-N 0 3 221.304 2.357 20 30 BEEDHN C=CCN(C)Cc1ccc(CC(=O)OC)cc1 ZINC001142908432 961821798 /nfs/dbraw/zinc/82/17/98/961821798.db2.gz AFOUVCGADXTUBC-UHFFFAOYSA-N 0 3 233.311 2.020 20 30 BEEDHN C=C(C)CN(C)CCNC(=O)CC(C)=C(C)C ZINC001690969093 1165791689 /nfs/dbraw/zinc/79/16/89/1165791689.db2.gz GPKPSWGFLFJHMF-UHFFFAOYSA-N 0 3 238.375 2.357 20 30 BEEDHN C=CCC1=CC[C@H](N2CCOCC2)CC1 ZINC001249956497 967196252 /nfs/dbraw/zinc/19/62/52/967196252.db2.gz GQDOMPJJOIDTOI-ZDUSSCGKSA-N 0 3 207.317 2.374 20 30 BEEDHN C=CCCCN1CC[C@@H]1CNC(=O)C=C1CCC1 ZINC001670630461 1165976243 /nfs/dbraw/zinc/97/62/43/1165976243.db2.gz QVLIUFALZYCAHF-CQSZACIVSA-N 0 3 248.370 2.253 20 30 BEEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001670687861 1165992129 /nfs/dbraw/zinc/99/21/29/1165992129.db2.gz YIBMVZAIEOMMTR-CYBMUJFWSA-N 0 3 248.370 2.109 20 30 BEEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CCC1 ZINC000127844758 1166288066 /nfs/dbraw/zinc/28/80/66/1166288066.db2.gz RCMWRSFVCTWCBV-LBPRGKRZSA-N 0 3 242.278 2.134 20 30 BEEDHN C=C[C@H](O)CNCc1sccc1Cl ZINC001253607697 969305970 /nfs/dbraw/zinc/30/59/70/969305970.db2.gz CYRSTECPPGHCEL-ZETCQYMHSA-N 0 3 217.721 2.038 20 30 BEEDHN C=C[C@@H](NC[C@@H](O)C=C)c1ccccc1 ZINC001253610143 969311118 /nfs/dbraw/zinc/31/11/18/969311118.db2.gz BAFATUUBNCCDRT-QWHCGFSZSA-N 0 3 203.285 2.050 20 30 BEEDHN C=CCN1CCN(C2CCC(F)(F)CC2)CC1 ZINC001254220778 969545560 /nfs/dbraw/zinc/54/55/60/969545560.db2.gz LTRNAFZFXXBVKD-UHFFFAOYSA-N 0 3 244.329 2.368 20 30 BEEDHN C=CCC[C@@H](C)N1CCN(C(=O)CCC)CC1 ZINC001112597118 970100841 /nfs/dbraw/zinc/10/08/41/970100841.db2.gz HEHLKLFUXJIKPZ-CYBMUJFWSA-N 0 3 238.375 2.285 20 30 BEEDHN CN1CCC(Oc2ccc(F)cc2C#N)CC1 ZINC000111037240 1166617111 /nfs/dbraw/zinc/61/71/11/1166617111.db2.gz COQTZWWKASONHO-UHFFFAOYSA-N 0 3 234.274 2.170 20 30 BEEDHN FC(F)CCNCC#Cc1ccccc1 ZINC000380121895 1166833050 /nfs/dbraw/zinc/83/30/50/1166833050.db2.gz UXFIBAHDXVDQRV-UHFFFAOYSA-N 0 3 209.239 2.283 20 30 BEEDHN CN1CC[C@@H](Oc2cccc(Cl)c2C#N)C1 ZINC000304415532 1166917976 /nfs/dbraw/zinc/91/79/76/1166917976.db2.gz DEJQYEIKROMYDR-SECBINFHSA-N 0 3 236.702 2.295 20 30 BEEDHN C=C(C)CCC(=O)NC[C@@H](C)NC[C@@H](F)CC ZINC001752876890 1166947691 /nfs/dbraw/zinc/94/76/91/1166947691.db2.gz IPDZFZQRLVLHDJ-NEPJUHHUSA-N 0 3 244.354 2.185 20 30 BEEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1CCC ZINC001268748361 1166984837 /nfs/dbraw/zinc/98/48/37/1166984837.db2.gz YINSOKVATNJMBB-YNEHKIRRSA-N 0 3 238.375 2.045 20 30 BEEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC001268754958 1166985833 /nfs/dbraw/zinc/98/58/33/1166985833.db2.gz NDWNBZAFGUOWFV-CYBMUJFWSA-N 0 3 246.354 2.231 20 30 BEEDHN C=CCN(C)C[C@@H](C)NC(=O)CCC1(C)CC1 ZINC001268752853 1166985282 /nfs/dbraw/zinc/98/52/82/1166985282.db2.gz MOLUAKXMXCQFQK-GFCCVEGCSA-N 0 3 238.375 2.189 20 30 BEEDHN C=C1C[C@H]2CC[C@@H](C1)N2c1ccncc1CO ZINC000894610801 1167075315 /nfs/dbraw/zinc/07/53/15/1167075315.db2.gz QMHZALJNRQLQNA-BETUJISGSA-N 0 3 230.311 2.261 20 30 BEEDHN CCOC(=O)C[C@H]1CC[C@@H](N[C@@H](C)CC#N)C1 ZINC001173650997 975513439 /nfs/dbraw/zinc/51/34/39/975513439.db2.gz JUBHPYUNXYIPFR-SDDRHHMPSA-N 0 3 238.331 2.000 20 30 BEEDHN C=CCN(C)CCc1nccc(C(F)(F)F)n1 ZINC001333940631 976175222 /nfs/dbraw/zinc/17/52/22/976175222.db2.gz PTDSCFSLHGXRQZ-UHFFFAOYSA-N 0 3 245.248 2.156 20 30 BEEDHN C=C[C@H](COC)NC/C=C/c1ccccc1 ZINC000309421580 1167303390 /nfs/dbraw/zinc/30/33/90/1167303390.db2.gz DQSQLRBNGYMTFS-DNGMOHDESA-N 0 3 217.312 2.490 20 30 BEEDHN C=C[C@@H](COC)NCc1ccc(OCC)cc1 ZINC001338119378 978618366 /nfs/dbraw/zinc/61/83/66/978618366.db2.gz OVTYYZGJFXOLRF-ZDUSSCGKSA-N 0 3 235.327 2.376 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](C(C)C)C1 ZINC001340769079 979100554 /nfs/dbraw/zinc/10/05/54/979100554.db2.gz TYPIVSUFVJASQD-STQMWFEESA-N 0 3 238.375 2.175 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC001341466450 979416696 /nfs/dbraw/zinc/41/66/96/979416696.db2.gz QZYSBQQKAHWJTG-AGIUHOORSA-N 0 3 238.375 2.317 20 30 BEEDHN C=CC(C)(C)CC(=O)N1[C@H](C)CN[C@H](C)[C@H]1C ZINC001341780596 979557647 /nfs/dbraw/zinc/55/76/47/979557647.db2.gz MIGLTCGGTLYVEZ-IJLUTSLNSA-N 0 3 238.375 2.186 20 30 BEEDHN CCCCN([O-])C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001649061589 1168292814 /nfs/dbraw/zinc/29/28/14/1168292814.db2.gz SGSJLCNBJLEYAB-GRYCIOLGSA-N 0 3 242.363 2.266 20 30 BEEDHN CCCCN([O-])C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001649061589 1168292821 /nfs/dbraw/zinc/29/28/21/1168292821.db2.gz SGSJLCNBJLEYAB-GRYCIOLGSA-N 0 3 242.363 2.266 20 30 BEEDHN CN1CCCC[C@@H]1c1ccc(NCC#N)nc1 ZINC001163181894 1168402873 /nfs/dbraw/zinc/40/28/73/1168402873.db2.gz ACTLVEDSXWZACC-GFCCVEGCSA-N 0 3 230.315 2.174 20 30 BEEDHN C#CC1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000843426974 1168401013 /nfs/dbraw/zinc/40/10/13/1168401013.db2.gz PJCJFYSEKANBDG-UHFFFAOYSA-N 0 3 231.343 2.309 20 30 BEEDHN C=CCN(C)Cc1cc(F)cc(C)c1O ZINC001238062807 980132693 /nfs/dbraw/zinc/13/26/93/980132693.db2.gz RUIRTBSTPAINNB-UHFFFAOYSA-N 0 3 209.264 2.458 20 30 BEEDHN CCCCCCCOC(=O)N1C[C@H](N)[C@@H](F)C1 ZINC001239326726 980532575 /nfs/dbraw/zinc/53/25/75/980532575.db2.gz MFILCMZRUAXEMQ-QWRGUYRKSA-N 0 3 246.326 2.074 20 30 BEEDHN CCCCCCCOC(=O)N1CC[C@@H]1NC ZINC001239335275 980542121 /nfs/dbraw/zinc/54/21/21/980542121.db2.gz MGJMDIMSBRCIHL-LLVKDONJSA-N 0 3 228.336 2.345 20 30 BEEDHN C#C[C@H](C)NCc1ccc(OCOCC)cc1 ZINC000809683432 1168557039 /nfs/dbraw/zinc/55/70/39/1168557039.db2.gz CVZZBKVAYGWQSZ-LBPRGKRZSA-N 0 3 233.311 2.171 20 30 BEEDHN C=CCC[C@H](O)CN1CCCC[C@@H](F)C1 ZINC001252593974 983842871 /nfs/dbraw/zinc/84/28/71/983842871.db2.gz PZGVYZZIWVGQMD-NEPJUHHUSA-N 0 3 215.312 2.138 20 30 BEEDHN CCOCC[C@@H](C)NCc1ccc(C#N)o1 ZINC001172414810 974682995 /nfs/dbraw/zinc/68/29/95/974682995.db2.gz HPAHLHXONLFVQN-SNVBAGLBSA-N 0 3 222.288 2.056 20 30 BEEDHN C[C@@H](CCCC#N)NCc1nccs1 ZINC001172476659 974773874 /nfs/dbraw/zinc/77/38/74/974773874.db2.gz PMCAGIQGRYGWOC-VIFPVBQESA-N 0 3 209.318 2.315 20 30 BEEDHN C[C@H](CCCC#N)n1ccnc1[C@H](C)N ZINC001172477266 974775374 /nfs/dbraw/zinc/77/53/74/974775374.db2.gz YBXBOISDRORDNI-ZJUUUORDSA-N 0 3 206.293 2.158 20 30 BEEDHN CCn1ccnc1C(C#N)C(=O)[C@H]1CC=CCC1 ZINC001123233993 1169336010 /nfs/dbraw/zinc/33/60/10/1169336010.db2.gz QGJVGHLEHQVGTJ-RYUDHWBXSA-N 0 3 243.310 2.436 20 30 BEEDHN CC(=O)C=C(C)Nc1c[nH]cc2ccnc1-2 ZINC001163738667 1169454593 /nfs/dbraw/zinc/45/45/93/1169454593.db2.gz CAHKOZIHXIDKDT-YVMONPNESA-N 0 3 215.256 2.468 20 30 BEEDHN CC[C@H](C)[C@H]([NH2+][C@@H](C)CCC(C)C)C(=O)N[O-] ZINC001256367134 970771709 /nfs/dbraw/zinc/77/17/09/970771709.db2.gz YGIMMFQBJNGHBP-SRVKXCTJSA-N 0 3 244.379 2.321 20 30 BEEDHN C[C@@H](Cc1ccccn1)N1CCC(C#N)CC1 ZINC001256408808 970816864 /nfs/dbraw/zinc/81/68/64/970816864.db2.gz DSEDLYPKAAEJGR-LBPRGKRZSA-N 0 3 229.327 2.248 20 30 BEEDHN COc1nc(C)c(C2=CNCCC2)c(C)c1C#N ZINC001243952383 971051815 /nfs/dbraw/zinc/05/18/15/971051815.db2.gz LDFRZCKDKXRYKV-UHFFFAOYSA-N 0 3 243.310 2.303 20 30 BEEDHN CN1CC=C(Nc2ccccc2CC#N)CC1 ZINC001208859606 1169511516 /nfs/dbraw/zinc/51/15/16/1169511516.db2.gz WCZSSPHWQSKLPG-UHFFFAOYSA-N 0 3 227.311 2.384 20 30 BEEDHN CCN(CCCc1ccc(C#N)cc1)C1COC1 ZINC001208862596 1169510754 /nfs/dbraw/zinc/51/07/54/1169510754.db2.gz JYLCKEFZGXHBMZ-UHFFFAOYSA-N 0 3 244.338 2.212 20 30 BEEDHN CCCCCCCNCc1cn(CC)nn1 ZINC000404438499 971161943 /nfs/dbraw/zinc/16/19/43/971161943.db2.gz UJWIRZPTOFUDEG-UHFFFAOYSA-N 0 3 224.352 2.358 20 30 BEEDHN C=CCN1C[C@@H](NC(=O)CC(C)C)CC[C@@H]1C ZINC001131752612 971268413 /nfs/dbraw/zinc/26/84/13/971268413.db2.gz SBOHHRJYCSKTEI-STQMWFEESA-N 0 3 238.375 2.188 20 30 BEEDHN C=CCN1C[C@H](NC(=O)/C(C)=C/C)CC[C@H]1C ZINC001131950404 971296258 /nfs/dbraw/zinc/29/62/58/971296258.db2.gz LKLQBKTZJLMJAD-WXYBXBMJSA-N 0 3 236.359 2.108 20 30 BEEDHN C=C(C)C(C)(C)C(=O)NCCNC/C=C/Cl ZINC001132308285 971333869 /nfs/dbraw/zinc/33/38/69/971333869.db2.gz BLVDKQOXUVGNGU-AATRIKPKSA-N 0 3 244.766 2.047 20 30 BEEDHN N#Cc1coc(CN[C@H]2CCCSC2)c1 ZINC001257668294 971469090 /nfs/dbraw/zinc/46/90/90/971469090.db2.gz ONFDCVSPVBYIKA-JTQLQIEISA-N 0 3 222.313 2.136 20 30 BEEDHN CCN(CCC#N)C1CCC2(COC2)CC1 ZINC001257908493 971537320 /nfs/dbraw/zinc/53/73/20/971537320.db2.gz KOVPLJYKLOSHAF-UHFFFAOYSA-N 0 3 222.332 2.181 20 30 BEEDHN CC1(C)[C@@H]2C[C@H](N3CC[C@@H](C#N)C3)C[C@@H]21 ZINC001170759811 971735528 /nfs/dbraw/zinc/73/55/28/971735528.db2.gz DKKYCPNRMKDGFQ-YFKTTZPYSA-N 0 3 204.317 2.266 20 30 BEEDHN C#Cc1cccc(CN2CCOC[C@H](C)C2)c1 ZINC001231657810 1169676165 /nfs/dbraw/zinc/67/61/65/1169676165.db2.gz MXVLCSLDRJNOCK-CYBMUJFWSA-N 0 3 229.323 2.136 20 30 BEEDHN C[C@H](CN(C)C)Oc1ccc(C(=O)CC#N)cc1 ZINC001233525322 1169688732 /nfs/dbraw/zinc/68/87/32/1169688732.db2.gz JSQVKDMDYYMGRP-LLVKDONJSA-N 0 3 246.310 2.112 20 30 BEEDHN C#CCCCN1CC2(C1)CC(F)(F)CS2 ZINC001209269117 957373692 /nfs/dbraw/zinc/37/36/92/957373692.db2.gz DYNRBCOSHGNNCH-UHFFFAOYSA-N 0 3 231.311 2.226 20 30 BEEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H](C)CC ZINC001266457883 957593243 /nfs/dbraw/zinc/59/32/43/957593243.db2.gz OECXYIKAEPSHNX-STQMWFEESA-N 0 3 238.375 2.189 20 30 BEEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@H](C)CC ZINC001266457881 957594220 /nfs/dbraw/zinc/59/42/20/957594220.db2.gz OECXYIKAEPSHNX-OLZOCXBDSA-N 0 3 238.375 2.189 20 30 BEEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)C(C)C ZINC001167530595 958841820 /nfs/dbraw/zinc/84/18/20/958841820.db2.gz HLHLQTJPHQFRPP-LLVKDONJSA-N 0 3 246.782 2.127 20 30 BEEDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)nc2)C1 ZINC001140545920 958845747 /nfs/dbraw/zinc/84/57/47/958845747.db2.gz PUARKJUSCNWYQN-VXGBXAGGSA-N 0 3 229.327 2.431 20 30 BEEDHN C=CCN(CC)CCNC(=O)CCC(C)C ZINC001267234592 959257148 /nfs/dbraw/zinc/25/71/48/959257148.db2.gz IQLSLJBVAONCKU-UHFFFAOYSA-N 0 3 226.364 2.047 20 30 BEEDHN C=CCC1(NC(=O)[C@H](N)CC2CC2)CCCC1 ZINC000690770399 959651132 /nfs/dbraw/zinc/65/11/32/959651132.db2.gz DQNFVMFNQMVBPX-GFCCVEGCSA-N 0 3 236.359 2.119 20 30 BEEDHN C=CCN(CC)CCNC(=O)[C@@H](C)CCC ZINC001480968488 959866886 /nfs/dbraw/zinc/86/68/86/959866886.db2.gz ZPDFFXYIYWGJGK-LBPRGKRZSA-N 0 3 226.364 2.047 20 30 BEEDHN C#C[C@H](C)NCc1ccc(OC)cc1CC ZINC000309417410 959874016 /nfs/dbraw/zinc/87/40/16/959874016.db2.gz CWGDQAITQPVNPD-NSHDSACASA-N 0 3 217.312 2.369 20 30 BEEDHN Cc1cc(CN[C@H](C)CC(C)(C)C#N)n(C)n1 ZINC000695842243 960506844 /nfs/dbraw/zinc/50/68/44/960506844.db2.gz LBALXNIFEUQOMK-LLVKDONJSA-N 0 3 234.347 2.147 20 30 BEEDHN CCn1cc(CN[C@@H](C)CC(C)(C)C#N)cn1 ZINC000695858062 960532847 /nfs/dbraw/zinc/53/28/47/960532847.db2.gz GYGVPPNWAHUNCJ-NSHDSACASA-N 0 3 234.347 2.321 20 30 BEEDHN SC1CCN(Cc2ccn3ccnc3c2)CC1 ZINC001141046099 960833672 /nfs/dbraw/zinc/83/36/72/960833672.db2.gz LYVQFLCGDJLVEZ-UHFFFAOYSA-N 0 3 247.367 2.229 20 30 BEEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001027748948 960929175 /nfs/dbraw/zinc/92/91/75/960929175.db2.gz PNPXTFCSQTWYMW-KBPBESRZSA-N 0 3 248.370 2.109 20 30 BEEDHN C#CCCCCNCc1nccn1C(C)C ZINC000692919673 961379991 /nfs/dbraw/zinc/37/99/91/961379991.db2.gz QBTFDIBKXUEJIZ-UHFFFAOYSA-N 0 3 219.332 2.357 20 30 BEEDHN C=C(C)CN(C)CCN(C)C(=O)/C=C(\C)CC ZINC001268235245 961460867 /nfs/dbraw/zinc/46/08/67/961460867.db2.gz FYUFNPCBIMBKRR-JLHYYAGUSA-N 0 3 238.375 2.309 20 30 BEEDHN N=C(N[C@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)cn1 ZINC001167900770 961596387 /nfs/dbraw/zinc/59/63/87/961596387.db2.gz AGWZQBBFDKSCNP-MBTKJCJQSA-N 0 3 235.718 2.239 20 30 BEEDHN C=CCN1CC[C@@H](N(CC)C(=O)C=C2CCC2)C1 ZINC001481765756 961806185 /nfs/dbraw/zinc/80/61/85/961806185.db2.gz YNUFOJNGOZRQTQ-CQSZACIVSA-N 0 3 248.370 2.206 20 30 BEEDHN C#CCCCCCN1CCOC(C)(C)C1 ZINC000686679102 961931650 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/nfs/dbraw/zinc/82/42/62/982824262.db2.gz SHVUETRHCYLISN-UHFFFAOYSA-N 0 3 212.296 2.472 20 30 BEEDHN C=C(Cl)CNC1([C@H]2CCCO2)CCC1 ZINC001198721036 982828357 /nfs/dbraw/zinc/82/83/57/982828357.db2.gz UTUKNAXWGWLQBD-SNVBAGLBSA-N 0 3 215.724 2.430 20 30 BEEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)ccc1O ZINC001353622206 982934393 /nfs/dbraw/zinc/93/43/93/982934393.db2.gz DWLSSIMUUXELIV-NSHDSACASA-N 0 3 248.326 2.323 20 30 BEEDHN C=C(C)CCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC001353640507 982951252 /nfs/dbraw/zinc/95/12/52/982951252.db2.gz DITSSFLNRZKLOQ-LBPRGKRZSA-N 0 3 236.359 2.109 20 30 BEEDHN CCCCCCCCN1CC(C(=O)OC)C1 ZINC001201804137 983479089 /nfs/dbraw/zinc/47/90/89/983479089.db2.gz CQELKOQPZZSQSC-UHFFFAOYSA-N 0 3 227.348 2.452 20 30 BEEDHN CC1(C)CC(=O)C=C(c2cccc(CN)n2)C1 ZINC001242314997 983548100 /nfs/dbraw/zinc/54/81/00/983548100.db2.gz ZFZKMIDWLVESPJ-UHFFFAOYSA-N 0 3 230.311 2.313 20 30 BEEDHN Cc1cc(C#N)cc(-c2ccnc(CN)c2)c1 ZINC001242479514 983808510 /nfs/dbraw/zinc/80/85/10/983808510.db2.gz VXOHQYYBXJCDAF-UHFFFAOYSA-N 0 3 223.279 2.387 20 30 BEEDHN Cc1ccc(C#N)cc1-c1cccc(CN)n1 ZINC001242539442 983858691 /nfs/dbraw/zinc/85/86/91/983858691.db2.gz YZVODDXOQVYGFF-UHFFFAOYSA-N 0 3 223.279 2.387 20 30 BEEDHN N#Cc1cc(Cl)cc(-c2cc(CN)ncn2)c1 ZINC001242568911 983887725 /nfs/dbraw/zinc/88/77/25/983887725.db2.gz WCMSCGVITKJFER-UHFFFAOYSA-N 0 3 244.685 2.127 20 30 BEEDHN C[C@@H]1CC(=O)C=C(c2nccc3c2CCN3)C1 ZINC001242738164 984083000 /nfs/dbraw/zinc/08/30/00/984083000.db2.gz WBUYRBOLWYBDHO-VIFPVBQESA-N 0 3 228.295 2.432 20 30 BEEDHN C=CCCCN1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001274961889 984422277 /nfs/dbraw/zinc/42/22/77/984422277.db2.gz DNVFETUEVDJBGY-UHFFFAOYSA-N 0 3 245.370 2.241 20 30 BEEDHN C=CCCC[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001446813443 984678210 /nfs/dbraw/zinc/67/82/10/984678210.db2.gz ZPVHVBOWHXJXPU-JTQLQIEISA-N 0 3 235.331 2.122 20 30 BEEDHN N#C[C@H]1CC=C(c2cccc(CN)n2)CC1 ZINC001243788346 985342486 /nfs/dbraw/zinc/34/24/86/985342486.db2.gz BKJHYNVRKAPRDY-JTQLQIEISA-N 0 3 213.284 2.247 20 30 BEEDHN [O-]N=Cc1ccccc1C1=C[NH2+]CCC1 ZINC001243953912 985666652 /nfs/dbraw/zinc/66/66/52/985666652.db2.gz OIHCIKSOWSEZPP-UHFFFAOYSA-N 0 3 202.257 2.219 20 30 BEEDHN C=CCOCCCNCc1nc(C)c(C)s1 ZINC000691846743 985703249 /nfs/dbraw/zinc/70/32/49/985703249.db2.gz BFMIZVYYWJCVTE-UHFFFAOYSA-N 0 3 240.372 2.442 20 30 BEEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ncccc1C ZINC001460941749 985959494 /nfs/dbraw/zinc/95/94/94/985959494.db2.gz XSPVXMVOTBEJGK-QWHCGFSZSA-N 0 3 234.343 2.368 20 30 BEEDHN C=CCC[C@H](C)N1C[C@@H](OC)[C@@H](F)C1 ZINC001258724585 986060328 /nfs/dbraw/zinc/06/03/28/986060328.db2.gz AIQOXGIEVBEDPE-GARJFASQSA-N 0 3 201.285 2.010 20 30 BEEDHN C=C[C@H](O)CNCc1cc(Cl)nc(Cl)c1 ZINC001253601686 986249040 /nfs/dbraw/zinc/24/90/40/986249040.db2.gz UWRBYYKVNDOGGN-QMMMGPOBSA-N 0 3 247.125 2.025 20 30 BEEDHN CC[C@H](C)[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(=O)N[O-] ZINC001258817364 986278463 /nfs/dbraw/zinc/27/84/63/986278463.db2.gz SJHMFYNPXZQSBK-RHYQMDGZSA-N 0 3 242.363 2.075 20 30 BEEDHN CC[C@H](C)[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(=O)N[O-] ZINC001258817365 986279817 /nfs/dbraw/zinc/27/98/17/986279817.db2.gz SJHMFYNPXZQSBK-YFKTTZPYSA-N 0 3 242.363 2.075 20 30 BEEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC)C1 ZINC001097809286 986662622 /nfs/dbraw/zinc/66/26/22/986662622.db2.gz JKUWLBVPTBJKNJ-UPJWGTAASA-N 0 3 248.370 2.084 20 30 BEEDHN N#C[C@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001254674169 986720911 /nfs/dbraw/zinc/72/09/11/986720911.db2.gz VALCCIPWEOHBSW-WCQYABFASA-N 0 3 242.322 2.443 20 30 BEEDHN N#C[C@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001254674169 986720925 /nfs/dbraw/zinc/72/09/25/986720925.db2.gz VALCCIPWEOHBSW-WCQYABFASA-N 0 3 242.322 2.443 20 30 BEEDHN CC[C@@H](CC#N)NC1(C2CCOCC2)CC1 ZINC001255156962 986829124 /nfs/dbraw/zinc/82/91/24/986829124.db2.gz VHYFYLLSSFUDQG-LBPRGKRZSA-N 0 3 222.332 2.227 20 30 BEEDHN C=CCN(C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001473306859 987393937 /nfs/dbraw/zinc/39/39/37/987393937.db2.gz YVAXMBHAHLYBEB-HNNXBMFYSA-N 0 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C=CCN(C)C[C@H](C)NC(=O)CC(C)(C)C ZINC001498229973 988468048 /nfs/dbraw/zinc/46/80/48/988468048.db2.gz YKKPHBFEKMWAKU-NSHDSACASA-N 0 3 226.364 2.045 20 30 BEEDHN C=CCN(C)C[C@H](C)NC(=O)CC1CCCC1 ZINC001498214441 988469595 /nfs/dbraw/zinc/46/95/95/988469595.db2.gz GLQKCGGHUKCBTB-LBPRGKRZSA-N 0 3 238.375 2.189 20 30 BEEDHN C=CCN(C)C[C@H](C)NC(=O)C(C)(C)C(=C)C ZINC001498354818 988478693 /nfs/dbraw/zinc/47/86/93/988478693.db2.gz DXHLFCSFVGYDST-LBPRGKRZSA-N 0 3 238.375 2.211 20 30 BEEDHN C=C[C@@H](COC)N[C@H](C)c1cccc(C#N)c1 ZINC001324022268 988668407 /nfs/dbraw/zinc/66/84/07/988668407.db2.gz PYDNSLWINQABTG-RISCZKNCSA-N 0 3 230.311 2.410 20 30 BEEDHN C=C1C[C@@H]2CC(N3CC[C@H]3NC)C[C@H](C1)C2 ZINC001246901281 988676091 /nfs/dbraw/zinc/67/60/91/988676091.db2.gz XAUZBHBQMLTOJC-PIGZVRMJSA-N 0 3 220.360 2.373 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H](C)CCC ZINC001119306474 988920229 /nfs/dbraw/zinc/92/02/29/988920229.db2.gz FCZVQCUYCIGPHU-ONGXEEELSA-N 0 3 246.782 2.399 20 30 BEEDHN C#CCN(C)Cc1ccc(F)c2cc[nH]c21 ZINC001248817785 989169719 /nfs/dbraw/zinc/16/97/19/989169719.db2.gz KKXJVFRCHBDRQH-UHFFFAOYSA-N 0 3 216.259 2.372 20 30 BEEDHN C#CCN(C)[C@@H]1CCc2c1cccc2F ZINC001326287389 989464516 /nfs/dbraw/zinc/46/45/16/989464516.db2.gz KUPRONJDUSUZQH-CYBMUJFWSA-N 0 3 203.260 2.378 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCCC12CC2 ZINC001522265839 989843792 /nfs/dbraw/zinc/84/37/92/989843792.db2.gz TYRZFXAWYQACHD-NEPJUHHUSA-N 0 3 236.359 2.119 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N1[C@@H](C)CCC1(C)C ZINC001522418043 989851014 /nfs/dbraw/zinc/85/10/14/989851014.db2.gz OBICYTRBPXEXMH-RYUDHWBXSA-N 0 3 238.375 2.460 20 30 BEEDHN C=CCC[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001120733213 989857377 /nfs/dbraw/zinc/85/73/77/989857377.db2.gz JBOFJQDRQXPRGN-CHWSQXEVSA-N 0 3 238.375 2.284 20 30 BEEDHN Cn1ccnc1C(C#N)C(=O)CCCC1CC1 ZINC001524266929 989991465 /nfs/dbraw/zinc/99/14/65/989991465.db2.gz NKFKPOKNRAVHRO-NSHDSACASA-N 0 3 231.299 2.177 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC001121865060 990104564 /nfs/dbraw/zinc/10/45/64/990104564.db2.gz MDRSFWBXQCYYGC-AGIUHOORSA-N 0 3 238.375 2.317 20 30 BEEDHN C=CC[C@@H](C)NC(=O)[C@@H](N)C1CCCCCC1 ZINC001121881950 990107690 /nfs/dbraw/zinc/10/76/90/990107690.db2.gz UEFHTMILTHFCBO-YPMHNXCESA-N 0 3 238.375 2.365 20 30 BEEDHN C=CCCC[C@H](N)C(=O)NCC1(C(C)C)CC1 ZINC001121966767 990161441 /nfs/dbraw/zinc/16/14/41/990161441.db2.gz SEKXMZXZOFEHNJ-LBPRGKRZSA-N 0 3 238.375 2.222 20 30 BEEDHN CCCCCCCCC(=O)[N-]OC[C@H](C)[NH3+] ZINC001122099566 990238609 /nfs/dbraw/zinc/23/86/09/990238609.db2.gz LWMQZXMEEMHTLH-NSHDSACASA-N 0 3 230.352 2.132 20 30 BEEDHN C=C(CN(C)C)C(=O)Oc1ccc(OCC)cc1 ZINC001540439195 990621585 /nfs/dbraw/zinc/62/15/85/990621585.db2.gz MSHOJMQBKLWPLS-UHFFFAOYSA-N 0 3 249.310 2.109 20 30 BEEDHN C=CCN(C)CCN(CC)C(=O)C(CC)CC ZINC001556466067 990829360 /nfs/dbraw/zinc/82/93/60/990829360.db2.gz IFOKVJDWHIIHMS-UHFFFAOYSA-N 0 3 240.391 2.389 20 30 BEEDHN C=CCC(C)(C)C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001558504796 990952260 /nfs/dbraw/zinc/95/22/60/990952260.db2.gz WBABTEGKEOGGTE-LLVKDONJSA-N 0 3 238.375 2.045 20 30 BEEDHN C#CCN(C)Cc1c[nH]c2cc(OC)ccc12 ZINC001138588312 990979652 /nfs/dbraw/zinc/97/96/52/990979652.db2.gz OEXTYOAOAKZZHN-UHFFFAOYSA-N 0 3 228.295 2.242 20 30 BEEDHN N#C[C@H]1CC[C@@H](NCc2cnn(C3CCC3)c2)C1 ZINC001308444065 990996413 /nfs/dbraw/zinc/99/64/13/990996413.db2.gz SFOGBYCBVQHXJO-WCQYABFASA-N 0 3 244.342 2.390 20 30 BEEDHN C=CCN(C)Cc1cnc2[nH]ccc2c1 ZINC001138740677 991027988 /nfs/dbraw/zinc/02/79/88/991027988.db2.gz HJHCALQXKQOYPT-UHFFFAOYSA-N 0 3 201.273 2.181 20 30 BEEDHN C#C[C@H](NCc1ccccc1NC)C(C)C ZINC001308750624 991120395 /nfs/dbraw/zinc/12/03/95/991120395.db2.gz NGRZIDOKEUNZKB-ZDUSSCGKSA-N 0 3 216.328 2.476 20 30 BEEDHN C=CCOc1ccccc1CN1C[C@@H](O)C[C@H]1C ZINC001139029002 991126388 /nfs/dbraw/zinc/12/63/88/991126388.db2.gz MZMHJPJBDWNYMU-OCCSQVGLSA-N 0 3 247.338 2.207 20 30 BEEDHN 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/nfs/dbraw/zinc/51/07/73/387510773.db2.gz SHGJKGWJGLVXQJ-LLVKDONJSA-N 0 3 247.317 2.054 20 30 BEEDHN C[C@H](NCC1(O)CCC1)c1ccc(C#N)c(F)c1 ZINC000346216336 387513186 /nfs/dbraw/zinc/51/31/86/387513186.db2.gz SSTVLRLXSYJMFW-JTQLQIEISA-N 0 3 248.301 2.263 20 30 BEEDHN N#Cc1ccc(CN[C@@H]2CCCc3cn[nH]c32)o1 ZINC000268855297 387524727 /nfs/dbraw/zinc/52/47/27/387524727.db2.gz QSRCMXHUCJWXDK-GFCCVEGCSA-N 0 3 242.282 2.042 20 30 BEEDHN C=C(C)CCN(CCOC)Cc1cccnc1 ZINC000277037513 387528114 /nfs/dbraw/zinc/52/81/14/387528114.db2.gz GEHVTQGMIVQCKG-UHFFFAOYSA-N 0 3 234.343 2.496 20 30 BEEDHN C#CCN(Cc1cccc(COC)c1)C1CC1 ZINC000274205464 387465709 /nfs/dbraw/zinc/46/57/09/387465709.db2.gz SDIIEZNEKKKECF-UHFFFAOYSA-N 0 3 229.323 2.431 20 30 BEEDHN C=CCCCCNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000274414219 387477519 /nfs/dbraw/zinc/47/75/19/387477519.db2.gz FGXFQQVRJQROFE-UHFFFAOYSA-N 0 3 249.358 2.162 20 30 BEEDHN C=CCCCCN[C@@H](C(N)=O)c1ccccc1 ZINC000274540142 387483491 /nfs/dbraw/zinc/48/34/91/387483491.db2.gz UARXIEQPGUFRLA-CYBMUJFWSA-N 0 3 232.327 2.159 20 30 BEEDHN CCN(C(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424085779 387485093 /nfs/dbraw/zinc/48/50/93/387485093.db2.gz ZRESVSIMWFBGQY-CYBMUJFWSA-N 0 3 245.326 2.061 20 30 BEEDHN CCC[C@H](CNCc1ccc(C#N)cc1)OC ZINC000293760162 387598910 /nfs/dbraw/zinc/59/89/10/387598910.db2.gz UXNMXKUFEXYVJV-CQSZACIVSA-N 0 3 232.327 2.463 20 30 BEEDHN C=C(CC)CN1CCC(O)(C(F)F)CC1 ZINC000426260377 387552092 /nfs/dbraw/zinc/55/20/92/387552092.db2.gz GZGSPZNGPKUJFY-UHFFFAOYSA-N 0 3 219.275 2.045 20 30 BEEDHN COCC(C)(C)CN(CCC#N)CC1CC1 ZINC000426401010 387564863 /nfs/dbraw/zinc/56/48/63/387564863.db2.gz MDGPGWPTGJAWAM-UHFFFAOYSA-N 0 3 224.348 2.285 20 30 BEEDHN Cc1nn(C)cc1[C@@H](C)NCC1(CC#N)CC1 ZINC000430746633 387646135 /nfs/dbraw/zinc/64/61/35/387646135.db2.gz RGOXDMZLLUYMKY-SNVBAGLBSA-N 0 3 232.331 2.073 20 30 BEEDHN C=CCOCCCN[C@H](C)c1cnn(CC)c1 ZINC000451890624 387672696 /nfs/dbraw/zinc/67/26/96/387672696.db2.gz QFMUSUJFXPQVRG-GFCCVEGCSA-N 0 3 237.347 2.146 20 30 BEEDHN C=C(C)CN1CCC(OCCOC(C)C)CC1 ZINC000451961391 387688985 /nfs/dbraw/zinc/68/89/85/387688985.db2.gz WTVXUOSEFHZGBY-UHFFFAOYSA-N 0 3 241.375 2.469 20 30 BEEDHN C=CCCCN(C)C1(C(=O)OC)CCCC1 ZINC000432043050 387746468 /nfs/dbraw/zinc/74/64/68/387746468.db2.gz YUUKMORLFWCNDP-UHFFFAOYSA-N 0 3 225.332 2.370 20 30 BEEDHN OCCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000452120240 387746921 /nfs/dbraw/zinc/74/69/21/387746921.db2.gz LXQCSHGAMYFZGV-INIZCTEOSA-N 0 3 243.350 2.133 20 30 BEEDHN C=C(C)COCCN[C@H](C)c1cnn(CC)c1 ZINC000163523693 387708964 /nfs/dbraw/zinc/70/89/64/387708964.db2.gz QEWIQXNYFRUQBB-GFCCVEGCSA-N 0 3 237.347 2.146 20 30 BEEDHN COC[C@@H]1CCCN(CC2(C#N)CC2)CC1 ZINC000452107147 387739637 /nfs/dbraw/zinc/73/96/37/387739637.db2.gz SATRGGQUKYUMKS-GFCCVEGCSA-N 0 3 222.332 2.039 20 30 BEEDHN COC[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353249446 387772194 /nfs/dbraw/zinc/77/21/94/387772194.db2.gz DAESOBQSMOKPKE-YGRLFVJLSA-N 0 3 230.311 2.170 20 30 BEEDHN COC[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353249444 387772655 /nfs/dbraw/zinc/77/26/55/387772655.db2.gz DAESOBQSMOKPKE-QMTHXVAHSA-N 0 3 230.311 2.170 20 30 BEEDHN C=CCC[C@@H](C)N[C@@H]1Cc2ccccc2NC1=O ZINC000528000752 387808627 /nfs/dbraw/zinc/80/86/27/387808627.db2.gz ODNJVSYUCYLLRO-BXUZGUMPSA-N 0 3 244.338 2.494 20 30 BEEDHN CC[C@@H]1CCCC[C@@H]1CNC(=O)C(C)C#N ZINC000452424952 387820681 /nfs/dbraw/zinc/82/06/81/387820681.db2.gz RHSCPMIETAIDNI-QJPTWQEYSA-N 0 3 222.332 2.479 20 30 BEEDHN COc1cccc2c1CCN(CCCC#N)CC2 ZINC000193708790 387863502 /nfs/dbraw/zinc/86/35/02/387863502.db2.gz LOHIISZYBUVRLS-UHFFFAOYSA-N 0 3 244.338 2.400 20 30 BEEDHN C=CCn1cc(CNC[C@@H]2CCCC[C@H]2C)nn1 ZINC000424172061 387863978 /nfs/dbraw/zinc/86/39/78/387863978.db2.gz NGJOHTXERDBSEE-OLZOCXBDSA-N 0 3 248.374 2.380 20 30 BEEDHN CC(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000433100744 387864299 /nfs/dbraw/zinc/86/42/99/387864299.db2.gz BVVKUEMGBGPRDH-ZDUSSCGKSA-N 0 3 230.311 2.284 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cncn1C(C)C ZINC000424169590 387865588 /nfs/dbraw/zinc/86/55/88/387865588.db2.gz HDTYHQAPQMSYTN-KGLIPLIRSA-N 0 3 249.358 2.287 20 30 BEEDHN CCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433105756 387866098 /nfs/dbraw/zinc/86/60/98/387866098.db2.gz PHFGKLFTIDEBIC-ZDUSSCGKSA-N 0 3 230.311 2.285 20 30 BEEDHN C=CC(C)(C)C(=O)NCCN1CCCC[C@H]1C ZINC000448708013 387888519 /nfs/dbraw/zinc/88/85/19/387888519.db2.gz MFNFGRKDVDURIS-GFCCVEGCSA-N 0 3 238.375 2.189 20 30 BEEDHN CC#CCN1CC[C@@H](CC(F)(F)F)C1 ZINC000444712541 387914826 /nfs/dbraw/zinc/91/48/26/387914826.db2.gz ZIPASEMFBBNKAN-VIFPVBQESA-N 0 3 205.223 2.284 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1nccnc1C ZINC000424292507 387955054 /nfs/dbraw/zinc/95/50/54/387955054.db2.gz GXJQBPSFOPNNIA-AVGNSLFASA-N 0 3 247.342 2.027 20 30 BEEDHN C=C1CCN(CCC[C@@H]2CCOC2)CC1 ZINC000645801015 387938247 /nfs/dbraw/zinc/93/82/47/387938247.db2.gz HGMBYCFGOSBTQS-CYBMUJFWSA-N 0 3 209.333 2.455 20 30 BEEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(F)cn1 ZINC000321052824 387939325 /nfs/dbraw/zinc/93/93/25/387939325.db2.gz WCNCKSCJMGXBLY-PWSUYJOCSA-N 0 3 238.306 2.198 20 30 BEEDHN C=CCN(CC[C@@H](C)O)Cc1ccc(OC)cc1 ZINC000438980965 387969883 /nfs/dbraw/zinc/96/98/83/387969883.db2.gz SRMDGTYWDWBGBA-CYBMUJFWSA-N 0 3 249.354 2.454 20 30 BEEDHN C=CCOCCN1CCS[C@@H](C)[C@H]1C ZINC000339000983 135051713 /nfs/dbraw/zinc/05/17/13/135051713.db2.gz FWKQXHXSFFICQT-MNOVXSKESA-N 0 3 215.362 2.015 20 30 BEEDHN N#C[C@@H]1CC[C@@H](NCCC(F)(F)F)C1 ZINC000308534614 135079636 /nfs/dbraw/zinc/07/96/36/135079636.db2.gz CZUXPQICGYYZJI-HTQZYQBOSA-N 0 3 206.211 2.221 20 30 BEEDHN C=CCN(C)CCN(CC)Cc1ccns1 ZINC001645453385 1172669670 /nfs/dbraw/zinc/66/96/70/1172669670.db2.gz KMXVBXLKAGPROB-UHFFFAOYSA-N 0 3 239.388 2.083 20 30 BEEDHN CCc1ccccc1CNC(=O)C(C)C#N ZINC000084203405 388074255 /nfs/dbraw/zinc/07/42/55/388074255.db2.gz YDJMLEVQJNXNOI-SNVBAGLBSA-N 0 3 216.284 2.025 20 30 BEEDHN C=CC[C@H](CO)CN[C@@H]1CCCc2occc21 ZINC000447586209 388081053 /nfs/dbraw/zinc/08/10/53/388081053.db2.gz MTQRDKXHOGAMTQ-WCQYABFASA-N 0 3 235.327 2.431 20 30 BEEDHN CC(C#N)C(=O)NCC(C)(C)c1cccs1 ZINC000084796701 388081486 /nfs/dbraw/zinc/08/14/86/388081486.db2.gz HFIKODMMEGCVSZ-VIFPVBQESA-N 0 3 236.340 2.302 20 30 BEEDHN CC(C#N)C(=O)NCC(C)(C)c1cccs1 ZINC000084796702 388081832 /nfs/dbraw/zinc/08/18/32/388081832.db2.gz HFIKODMMEGCVSZ-SECBINFHSA-N 0 3 236.340 2.302 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cn(C)nc1C ZINC000453335705 388050363 /nfs/dbraw/zinc/05/03/63/388050363.db2.gz FOYKAVDOWYMQOR-HONMWMINSA-N 0 3 249.358 2.113 20 30 BEEDHN C=CC[C@H](CO)CNCc1cccc(C)c1F ZINC000449198893 388156875 /nfs/dbraw/zinc/15/68/75/388156875.db2.gz AIGBRKRTZJPBLE-LBPRGKRZSA-N 0 3 237.318 2.408 20 30 BEEDHN C=CC[C@H](CO)NCc1ccc(C)cc1OC ZINC000449236740 388160254 /nfs/dbraw/zinc/16/02/54/388160254.db2.gz LDLULWLIHSCWQZ-CYBMUJFWSA-N 0 3 235.327 2.030 20 30 BEEDHN C=CCCCC[C@H](C)NCc1nncn1C ZINC000449071138 388139195 /nfs/dbraw/zinc/13/91/95/388139195.db2.gz AHRLBNUGHZNVKE-NSHDSACASA-N 0 3 222.336 2.040 20 30 BEEDHN C=CCCCCCN(C)C(=O)[C@H](C)NC1CC1 ZINC000449131457 388146791 /nfs/dbraw/zinc/14/67/91/388146791.db2.gz MUHOSLYBCMXAFN-LBPRGKRZSA-N 0 3 238.375 2.332 20 30 BEEDHN C=CCOCCN1C[C@H](C)OC2(CCCC2)C1 ZINC000646135585 388152137 /nfs/dbraw/zinc/15/21/37/388152137.db2.gz STHYXMGMJZQGBO-ZDUSSCGKSA-N 0 3 239.359 2.223 20 30 BEEDHN C#CCN(CC)[C@@H](COC)Cc1ccccc1 ZINC000490778784 388253742 /nfs/dbraw/zinc/25/37/42/388253742.db2.gz LDTPRDQZRYUGPH-OAHLLOKOSA-N 0 3 231.339 2.199 20 30 BEEDHN C#CCN(CC)CCCOc1cccc(C#N)c1 ZINC000490804478 388255666 /nfs/dbraw/zinc/25/56/66/388255666.db2.gz XIGPCSKCVOWNJT-UHFFFAOYSA-N 0 3 242.322 2.282 20 30 BEEDHN C#CCN(CC)Cc1ccc2[nH]cnc2c1 ZINC000490898363 388258753 /nfs/dbraw/zinc/25/87/53/388258753.db2.gz JYRHFUHOOLLSNP-UHFFFAOYSA-N 0 3 213.284 2.018 20 30 BEEDHN C#CCN(CC)Cc1ccc2nc[nH]c2c1 ZINC000490898363 388258754 /nfs/dbraw/zinc/25/87/54/388258754.db2.gz JYRHFUHOOLLSNP-UHFFFAOYSA-N 0 3 213.284 2.018 20 30 BEEDHN C=CCC1(CNC(=O)C(C)C#N)CCCC1 ZINC000456489771 388204400 /nfs/dbraw/zinc/20/44/00/388204400.db2.gz VLGSGPABHIHANK-LLVKDONJSA-N 0 3 220.316 2.399 20 30 BEEDHN C=CCC1(CNC(=O)C(C)C#N)CCCC1 ZINC000456489773 388204498 /nfs/dbraw/zinc/20/44/98/388204498.db2.gz VLGSGPABHIHANK-NSHDSACASA-N 0 3 220.316 2.399 20 30 BEEDHN C=C(C)CCNCc1cn(C)nc1C(F)F ZINC000449474724 388214017 /nfs/dbraw/zinc/21/40/17/388214017.db2.gz JTWTWCIBVQAZJV-UHFFFAOYSA-N 0 3 229.274 2.414 20 30 BEEDHN C=CC(C)(C)CNCc1cnccc1N(C)C ZINC000449483673 388215988 /nfs/dbraw/zinc/21/59/88/388215988.db2.gz CAWNGAXJTCVKEE-UHFFFAOYSA-N 0 3 233.359 2.449 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(C(C)(C)C)c1 ZINC000449517920 388222790 /nfs/dbraw/zinc/22/27/90/388222790.db2.gz HVXYTIUJMZMFKF-OLZOCXBDSA-N 0 3 249.358 2.071 20 30 BEEDHN C=C(CC)CNC(=O)c1ccccc1CN(C)C ZINC000456811814 388223638 /nfs/dbraw/zinc/22/36/38/388223638.db2.gz KPSYQPHKSXCQIC-UHFFFAOYSA-N 0 3 246.354 2.444 20 30 BEEDHN C=C(C)COCCN[C@H](C)c1cncc(F)c1 ZINC000090450796 256563389 /nfs/dbraw/zinc/56/33/89/256563389.db2.gz JWDNLOLXEWLJGT-LLVKDONJSA-N 0 3 238.306 2.464 20 30 BEEDHN C=C(C)COCCNCc1cnc(C2CC2)nc1 ZINC000459447537 388244685 /nfs/dbraw/zinc/24/46/85/388244685.db2.gz QQNFSUGDIPOXHN-UHFFFAOYSA-N 0 3 247.342 2.036 20 30 BEEDHN CC(C)[C@@H](CO)[C@H](NCC1(C#N)CC1)C(C)C ZINC000451604759 388283320 /nfs/dbraw/zinc/28/33/20/388283320.db2.gz YYOBIYPWPRIWLS-CHWSQXEVSA-N 0 3 238.375 2.169 20 30 BEEDHN C#C[C@H](N[C@@H]1C[C@@H](OCC)[C@H]1SC)C(C)C ZINC000491297218 388283393 /nfs/dbraw/zinc/28/33/93/388283393.db2.gz PIWUSWRUASONTI-LOWDOPEQSA-N 0 3 241.400 2.143 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccccc1N(C)C ZINC000451609317 388283998 /nfs/dbraw/zinc/28/39/98/388283998.db2.gz VRZLICFWAUESOW-HIFRSBDPSA-N 0 3 246.354 2.186 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C)noc1C ZINC000451676084 388289463 /nfs/dbraw/zinc/28/94/63/388289463.db2.gz RTCGTZPPQMYBRV-OLZOCXBDSA-N 0 3 236.315 2.115 20 30 BEEDHN C#CCN(CC)CCOCC1CCCC1 ZINC000491372144 388289444 /nfs/dbraw/zinc/28/94/44/388289444.db2.gz HZORGZAVZAINQB-UHFFFAOYSA-N 0 3 209.333 2.148 20 30 BEEDHN C#CCN(CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000491475710 388297522 /nfs/dbraw/zinc/29/75/22/388297522.db2.gz ZFQPLSMREBGJJI-JSGCOSHPSA-N 0 3 217.312 2.064 20 30 BEEDHN C#C[C@H](CC)NCc1ccc([N+](=O)[O-])cc1C ZINC000491475673 388297583 /nfs/dbraw/zinc/29/75/83/388297583.db2.gz YTEFNRNZINOOFZ-GFCCVEGCSA-N 0 3 232.283 2.405 20 30 BEEDHN C#C[C@@H](NC[C@@H](O)c1ccc(F)cc1C)C(C)C ZINC000491484211 388298118 /nfs/dbraw/zinc/29/81/18/388298118.db2.gz HXKHOYYRXDUERN-HUUCEWRRSA-N 0 3 249.329 2.415 20 30 BEEDHN C#C[C@H](CC)N[C@H](C)Cc1cccc(OC)n1 ZINC000491617216 388304902 /nfs/dbraw/zinc/30/49/02/388304902.db2.gz BMUNRKOVHQUUJE-VXGBXAGGSA-N 0 3 232.327 2.023 20 30 BEEDHN N#Cc1csc(CNCCN2CCCCC2)c1 ZINC000093492279 256637391 /nfs/dbraw/zinc/63/73/91/256637391.db2.gz IZRBPGSXYPBQRW-UHFFFAOYSA-N 0 3 249.383 2.195 20 30 BEEDHN C#C[C@H](CC)NCc1ccc2c(c1)ncn2C ZINC000491657506 388308625 /nfs/dbraw/zinc/30/86/25/388308625.db2.gz GJKGCLGBAQAKMR-GFCCVEGCSA-N 0 3 227.311 2.075 20 30 BEEDHN C#C[C@H](C)N(C)CCOc1ccccc1OC ZINC000491656562 388308668 /nfs/dbraw/zinc/30/86/68/388308668.db2.gz TULMNQLQLCEVMN-LBPRGKRZSA-N 0 3 233.311 2.028 20 30 BEEDHN C#C[C@H](C)N(C)Cc1cc(OC)c(OC)cc1C ZINC000491672363 388309744 /nfs/dbraw/zinc/30/97/44/388309744.db2.gz YJWOOFDIZYHLHR-LBPRGKRZSA-N 0 3 247.338 2.466 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC000491698498 388312285 /nfs/dbraw/zinc/31/22/85/388312285.db2.gz CQCDXSFNUOTUHF-GFCCVEGCSA-N 0 3 217.312 2.457 20 30 BEEDHN C#CCN(C[C@@H](O)[C@H](C)c1ccccc1)C1CC1 ZINC000491700634 388312641 /nfs/dbraw/zinc/31/26/41/388312641.db2.gz GMOQNAPCRMHEQX-CZUORRHYSA-N 0 3 243.350 2.249 20 30 BEEDHN C#CCN(C[C@H](O)C1CCCCC1)C1CC1 ZINC000491702586 388312876 /nfs/dbraw/zinc/31/28/76/388312876.db2.gz RKZXISUINJQXPM-AWEZNQCLSA-N 0 3 221.344 2.025 20 30 BEEDHN C#C[C@@H](C)N(C)CCc1ccc(F)c(F)c1 ZINC000491774475 388319629 /nfs/dbraw/zinc/31/96/29/388319629.db2.gz ACUCOGAABHBYMA-SNVBAGLBSA-N 0 3 223.266 2.461 20 30 BEEDHN C#CCN(CC#CC)C[C@@H]1CCC(F)(F)C1 ZINC000491782881 388320813 /nfs/dbraw/zinc/32/08/13/388320813.db2.gz JDWVHDRITZDGKN-GFCCVEGCSA-N 0 3 225.282 2.380 20 30 BEEDHN C#C[C@H](C)N(C)Cc1cccc2c[nH]nc21 ZINC000491784852 388320948 /nfs/dbraw/zinc/32/09/48/388320948.db2.gz QGCDZWZPHMEYFB-JTQLQIEISA-N 0 3 213.284 2.016 20 30 BEEDHN N#CC1(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000451346888 388264099 /nfs/dbraw/zinc/26/40/99/388264099.db2.gz SNDZULMCYFVRSH-MGPQQGTHSA-N 0 3 248.370 2.306 20 30 BEEDHN N#CC1(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000451346886 388264172 /nfs/dbraw/zinc/26/41/72/388264172.db2.gz SNDZULMCYFVRSH-BFHYXJOUSA-N 0 3 248.370 2.306 20 30 BEEDHN C#C[C@@H](C)N(C)CC[C@@H](O)c1ccccc1 ZINC000491071209 388267886 /nfs/dbraw/zinc/26/78/86/388267886.db2.gz IMNTVAXNUPHITO-TZMCWYRMSA-N 0 3 217.312 2.064 20 30 BEEDHN C=C(C)CCNC(C)(C)c1nnc2n1CCCC2 ZINC000451401109 388270010 /nfs/dbraw/zinc/27/00/10/388270010.db2.gz DEPPEZQUCLZMMG-UHFFFAOYSA-N 0 3 248.374 2.405 20 30 BEEDHN C=CCN(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492438200 388344318 /nfs/dbraw/zinc/34/43/18/388344318.db2.gz SLKAXBBGAYIZNU-JTQLQIEISA-N 0 3 228.336 2.017 20 30 BEEDHN C[C@H]1C[C@H](C)N1CCOc1ccc(C#N)cc1 ZINC000548424696 388359243 /nfs/dbraw/zinc/35/92/43/388359243.db2.gz JGQMVHVUGMXBKN-RYUDHWBXSA-N 0 3 230.311 2.420 20 30 BEEDHN C=C(C)CN(CC)C(=O)CN(CC)C1CCC1 ZINC000524595077 388367382 /nfs/dbraw/zinc/36/73/82/388367382.db2.gz BCGOIXBZWMNWDM-UHFFFAOYSA-N 0 3 238.375 2.285 20 30 BEEDHN CC(C)[C@@H](O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000164543317 388392794 /nfs/dbraw/zinc/39/27/94/388392794.db2.gz HGMFLRISUCDPCU-FZMZJTMJSA-N 0 3 232.327 2.226 20 30 BEEDHN CC(C)(C#N)CNCC(C)(C)CCC#N ZINC000164682704 388396310 /nfs/dbraw/zinc/39/63/10/388396310.db2.gz BWXMEKKLIRAOSK-UHFFFAOYSA-N 0 3 207.321 2.456 20 30 BEEDHN CC(C)[C@@H]1C[C@H](NCC(C)(C)C#N)CCO1 ZINC000164687705 388397322 /nfs/dbraw/zinc/39/73/22/388397322.db2.gz JNKDIBVYZQREMR-NEPJUHHUSA-N 0 3 224.348 2.329 20 30 BEEDHN CC(C)(O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000271760417 388401802 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BEEDHN C[C@H](NCCCCF)c1cc(C#N)ccn1 ZINC000902996884 584714327 /nfs/dbraw/zinc/71/43/27/584714327.db2.gz OWNDLKZWCGAXMH-JTQLQIEISA-N 0 3 221.279 2.354 20 30 BEEDHN C[C@H](NCCC(C)(C)CO)c1cc(C#N)ccn1 ZINC000903004513 584716884 /nfs/dbraw/zinc/71/68/84/584716884.db2.gz CXUFSPHTUKKVKK-NSHDSACASA-N 0 3 247.342 2.012 20 30 BEEDHN CC[C@@H](NCCN(C)OC)c1cccc(C#N)c1 ZINC000903043533 584720966 /nfs/dbraw/zinc/72/09/66/584720966.db2.gz BYYHDFRXDHPZQH-CQSZACIVSA-N 0 3 247.342 2.092 20 30 BEEDHN C[C@H](N[C@H]1CC12CC2)c1cc(C#N)ccn1 ZINC000903025694 584721434 /nfs/dbraw/zinc/72/14/34/584721434.db2.gz HHNYGPCNRKYAGQ-CABZTGNLSA-N 0 3 213.284 2.156 20 30 BEEDHN C=CCn1cc(CNC2C[C@H]3CCC[C@@H]3C2)nn1 ZINC000903026986 584721687 /nfs/dbraw/zinc/72/16/87/584721687.db2.gz YARGYQKKDKTGQT-VXGBXAGGSA-N 0 3 246.358 2.132 20 30 BEEDHN CCc1cnccc1[C@H](C)NCCO[C@H](C)C#N ZINC000801940309 584721730 /nfs/dbraw/zinc/72/17/30/584721730.db2.gz ZTJKKYSPYUAEKW-NEPJUHHUSA-N 0 3 247.342 2.223 20 30 BEEDHN C=CCOCCCN[C@H](C)c1cc(C#N)ccn1 ZINC000903051053 584724180 /nfs/dbraw/zinc/72/41/80/584724180.db2.gz CUTGAAJLPURTGD-GFCCVEGCSA-N 0 3 245.326 2.197 20 30 BEEDHN CS[C@H]1C[C@H](N[C@H](C)c2cc(C#N)ccn2)C1 ZINC000903078799 584724540 /nfs/dbraw/zinc/72/45/40/584724540.db2.gz XUTWDKTVHOYHKF-YUSALJHKSA-N 0 3 247.367 2.498 20 30 BEEDHN CO[C@H]1C[C@H](CN[C@@H](C)c2cc(C#N)ccn2)C1 ZINC000903086203 584725529 /nfs/dbraw/zinc/72/55/29/584725529.db2.gz DCFZTLVDNKKVMF-DRZSPHRISA-N 0 3 245.326 2.029 20 30 BEEDHN CC[C@H](NCC(C)(C)C#N)C1CCOCC1 ZINC000903100005 584726791 /nfs/dbraw/zinc/72/67/91/584726791.db2.gz FUNXPJUTMZOVFD-LBPRGKRZSA-N 0 3 224.348 2.331 20 30 BEEDHN COC1([C@@H](C)NCC(C)(C)C#N)CCC1 ZINC000903101378 584727381 /nfs/dbraw/zinc/72/73/81/584727381.db2.gz GPVAAKKUMYPPOY-SNVBAGLBSA-N 0 3 210.321 2.083 20 30 BEEDHN COCC[C@H]1CCC[C@@H]1NCC(C)(C)C#N ZINC000903101830 584727465 /nfs/dbraw/zinc/72/74/65/584727465.db2.gz NJLKDZGUHZULTO-NEPJUHHUSA-N 0 3 224.348 2.331 20 30 BEEDHN COCC[C@@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000903105197 584728081 /nfs/dbraw/zinc/72/80/81/584728081.db2.gz ADXIWUBVQUCVJE-NWDGAFQWSA-N 0 3 222.332 2.085 20 30 BEEDHN CC(C)(C#N)CN[C@@H]1CCOC12CCCC2 ZINC000903219968 584737791 /nfs/dbraw/zinc/73/77/91/584737791.db2.gz KIXMOMMQXDCFET-LLVKDONJSA-N 0 3 222.332 2.227 20 30 BEEDHN C=CCC[C@H](NCc1cn(C)cn1)[C@@H]1CCCO1 ZINC000903350348 584754692 /nfs/dbraw/zinc/75/46/92/584754692.db2.gz AWCRYQTUJYDCTA-KBPBESRZSA-N 0 3 249.358 2.024 20 30 BEEDHN C[C@H](N[C@H]1COC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000903395885 584757085 /nfs/dbraw/zinc/75/70/85/584757085.db2.gz OBEYGUQCGOTRJE-BHDSKKPTSA-N 0 3 248.301 2.383 20 30 BEEDHN C=C1CC(C)(c2noc(C[C@@H]3CCN(C)C3)n2)C1 ZINC000904110812 584841592 /nfs/dbraw/zinc/84/15/92/584841592.db2.gz HPCVROLKKHYMRC-NSHDSACASA-N 0 3 247.342 2.172 20 30 BEEDHN C=C(Br)CNC(C)(C)C(C)(C)O ZINC000223248944 584909155 /nfs/dbraw/zinc/90/91/55/584909155.db2.gz PAZXMEHUXJOYAL-UHFFFAOYSA-N 0 3 236.153 2.034 20 30 BEEDHN CC(=NNC1=N[C@@H](C)CN1)[C@@H]1CCCC[C@@H]1C ZINC000834971451 584916108 /nfs/dbraw/zinc/91/61/08/584916108.db2.gz WUKATWWWZRJHKV-JBLDHEPKSA-N 0 3 236.363 2.126 20 30 BEEDHN C=CCON=Cc1ccc(N(C)C)cc1 ZINC000754778740 584929403 /nfs/dbraw/zinc/92/94/03/584929403.db2.gz NBVNHGOVXSSJGO-UHFFFAOYSA-N 0 3 204.273 2.289 20 30 BEEDHN C=CCNN=C(C)c1cccc(CN(C)C)c1 ZINC000814927674 584948326 /nfs/dbraw/zinc/94/83/26/584948326.db2.gz ABMWATZWRIZPSX-UHFFFAOYSA-N 0 3 231.343 2.248 20 30 BEEDHN CCOCCCN1CCC(=NOCC)[C@@H](C)C1 ZINC000735226816 584974218 /nfs/dbraw/zinc/97/42/18/584974218.db2.gz BIOGDEDOWLOEDF-LBPRGKRZSA-N 0 3 242.363 2.147 20 30 BEEDHN C=C(Cl)CNC(=O)CN(C)CCCCCC ZINC000736246257 584994129 /nfs/dbraw/zinc/99/41/29/584994129.db2.gz UJWZHDZOEXCIAV-UHFFFAOYSA-N 0 3 246.782 2.367 20 30 BEEDHN Cc1cccc(CC(=Nn2cnnc2)C2CC2)c1 ZINC000736429268 585001880 /nfs/dbraw/zinc/00/18/80/585001880.db2.gz TZIZSJFGTVOFFC-UHFFFAOYSA-N 0 3 240.310 2.443 20 30 BEEDHN Cc1ccc(OC[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000736672189 585009340 /nfs/dbraw/zinc/00/93/40/585009340.db2.gz IVLUOVNIOFAWHK-VXGBXAGGSA-N 0 3 246.310 2.038 20 30 BEEDHN Cc1cccc2c1CCN(C(=O)C(C)C#N)C2 ZINC000736673026 585009390 /nfs/dbraw/zinc/00/93/90/585009390.db2.gz DERHROLUTAZXJB-NSHDSACASA-N 0 3 228.295 2.039 20 30 BEEDHN Cc1cccc2c1CCN(C(=O)C(C)C#N)C2 ZINC000736673025 585009446 /nfs/dbraw/zinc/00/94/46/585009446.db2.gz DERHROLUTAZXJB-LLVKDONJSA-N 0 3 228.295 2.039 20 30 BEEDHN C[C@]1(C(=O)C(C#N)c2ccccn2)CCCCO1 ZINC000838785460 585070154 /nfs/dbraw/zinc/07/01/54/585070154.db2.gz PDGRVBTUBFLRFU-SMDDNHRTSA-N 0 3 244.294 2.217 20 30 BEEDHN C#C[C@@H](NC1CC2(CCC2)C1)[C@H]1CCCO1 ZINC000839016092 585087330 /nfs/dbraw/zinc/08/73/30/585087330.db2.gz WUBPHMPLOZZOTG-CHWSQXEVSA-N 0 3 219.328 2.090 20 30 BEEDHN C#C[C@@H](NC1CC2(CCC2)C1)[C@@H]1CCCO1 ZINC000839016093 585087360 /nfs/dbraw/zinc/08/73/60/585087360.db2.gz WUBPHMPLOZZOTG-OLZOCXBDSA-N 0 3 219.328 2.090 20 30 BEEDHN COc1cccc(C[NH2+]CC(C)(C)CC#N)c1[O-] ZINC000839163062 585098003 /nfs/dbraw/zinc/09/80/03/585098003.db2.gz GREHLJNTDNTFQA-UHFFFAOYSA-N 0 3 248.326 2.430 20 30 BEEDHN CCC(CC)N=NC1CCN(C)[C@@H](C)C1 ZINC000741461283 585114327 /nfs/dbraw/zinc/11/43/27/585114327.db2.gz UIWIXVPWXVDHKJ-JTQLQIEISA-N 0 3 211.353 2.235 20 30 BEEDHN C[C@@H]1CC(N=Nc2ccc(F)cn2)CCN1C ZINC000741464030 585114461 /nfs/dbraw/zinc/11/44/61/585114461.db2.gz KTQXLWCQWBNUNU-SECBINFHSA-N 0 3 236.294 2.103 20 30 BEEDHN C[C@H]1CC(=NNCc2cccc(F)c2)CCN1C ZINC000741460322 585114472 /nfs/dbraw/zinc/11/44/72/585114472.db2.gz NHINKCICBTYVCF-NSHDSACASA-N 0 3 249.333 2.385 20 30 BEEDHN CC(C)(C)CN(CCC#N)CCN1CCCC1 ZINC000741754691 585117582 /nfs/dbraw/zinc/11/75/82/585117582.db2.gz VKXVVMTVZSYOHA-UHFFFAOYSA-N 0 3 237.391 2.344 20 30 BEEDHN C#CC[C@@H]1CCN(Cc2cc(C)ccn2)C1 ZINC000886363944 585134399 /nfs/dbraw/zinc/13/43/99/585134399.db2.gz JSNVIERCTNLXSP-CYBMUJFWSA-N 0 3 214.312 2.235 20 30 BEEDHN Cc1cc(C(C#N)C(=O)C=CC2CC2)nc(C)n1 ZINC000744026616 585142170 /nfs/dbraw/zinc/14/21/70/585142170.db2.gz QRSCFEVTKZAEHH-FJOGCWAESA-N 0 3 241.294 2.236 20 30 BEEDHN C#CCN(Cc1cccc(C#N)c1)C(C)C ZINC000746135380 585163756 /nfs/dbraw/zinc/16/37/56/585163756.db2.gz NFKGOKNGGKUEAU-UHFFFAOYSA-N 0 3 212.296 2.402 20 30 BEEDHN COc1ccc(CNCc2cc[nH]c2)cc1C#N ZINC000746740678 585172461 /nfs/dbraw/zinc/17/24/61/585172461.db2.gz GTGWUXZOWQAYAD-UHFFFAOYSA-N 0 3 241.294 2.185 20 30 BEEDHN C#CCN(CC)CCc1ccc(C)cc1 ZINC000749154649 585199722 /nfs/dbraw/zinc/19/97/22/585199722.db2.gz FYINCNJWUHJWLA-UHFFFAOYSA-N 0 3 201.313 2.493 20 30 BEEDHN C=C(Cl)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000749562710 585203696 /nfs/dbraw/zinc/20/36/96/585203696.db2.gz RPROSOURNDYJDP-VXGBXAGGSA-N 0 3 229.751 2.487 20 30 BEEDHN C=C(Cl)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000749562706 585203806 /nfs/dbraw/zinc/20/38/06/585203806.db2.gz RPROSOURNDYJDP-RYUDHWBXSA-N 0 3 229.751 2.487 20 30 BEEDHN CCN1CCC(=NOCC(C)C)[C@H](C)C1 ZINC000749631660 585204822 /nfs/dbraw/zinc/20/48/22/585204822.db2.gz NUENFOIAFJELMF-LLVKDONJSA-N 0 3 212.337 2.377 20 30 BEEDHN CC1(C)CCC[C@H](C=Nn2cnnc2)C1 ZINC000752713499 585248748 /nfs/dbraw/zinc/24/87/48/585248748.db2.gz PAIWUZRKMGBFPI-JTQLQIEISA-N 0 3 206.293 2.328 20 30 BEEDHN CC[C@@H](C)NN=Cc1ccc(N(C)CC)nc1 ZINC000790182248 585259095 /nfs/dbraw/zinc/25/90/95/585259095.db2.gz CNLDUMNTTFDSPA-LLVKDONJSA-N 0 3 234.347 2.260 20 30 BEEDHN C#CCOCCN[C@@H](C)c1ccc(OCC)cc1 ZINC000753765871 585268412 /nfs/dbraw/zinc/26/84/12/585268412.db2.gz CZMBJCVUUROGBQ-ZDUSSCGKSA-N 0 3 247.338 2.386 20 30 BEEDHN C#CCOCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000753768929 585268620 /nfs/dbraw/zinc/26/86/20/585268620.db2.gz ONOMXEHJQJBSOB-ZDUSSCGKSA-N 0 3 246.354 2.053 20 30 BEEDHN CC#CCOC(=O)C(C)(C)N(C)C1CCCC1 ZINC000754875073 585291947 /nfs/dbraw/zinc/29/19/47/585291947.db2.gz VZXXWMNPIDUIAN-UHFFFAOYSA-N 0 3 237.343 2.206 20 30 BEEDHN C#Cc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000809644898 585298898 /nfs/dbraw/zinc/29/88/98/585298898.db2.gz YLAMVTRJBUAZKA-ZIAGYGMSSA-N 0 3 242.366 2.192 20 30 BEEDHN C#CCN1Cc2ccccc2N(C)C[C@@H]1CC ZINC000756026421 585313394 /nfs/dbraw/zinc/31/33/94/585313394.db2.gz BZQOACDNNYOPQE-AWEZNQCLSA-N 0 3 228.339 2.350 20 30 BEEDHN C=C(Cl)CN1CCC[C@]1(C)CCCO ZINC000839537910 585329972 /nfs/dbraw/zinc/32/99/72/585329972.db2.gz XRFCGVAKKSIRSS-LLVKDONJSA-N 0 3 217.740 2.366 20 30 BEEDHN C#CC[C@H](NCC[C@@H](C)O)c1ccccc1 ZINC000839540196 585330033 /nfs/dbraw/zinc/33/00/33/585330033.db2.gz HWMBMJYPKIQRQR-OCCSQVGLSA-N 0 3 217.312 2.112 20 30 BEEDHN C=C(Cl)CN([C@@H](C)CO)C1CCCC1 ZINC000839575994 585330570 /nfs/dbraw/zinc/33/05/70/585330570.db2.gz XBYVRMXRWYYALA-JTQLQIEISA-N 0 3 217.740 2.364 20 30 BEEDHN CC(=NNC1CC1)c1ccc(N(C)C)cc1 ZINC000758127352 585349803 /nfs/dbraw/zinc/34/98/03/585349803.db2.gz OWBBNAGCFZFSJI-UHFFFAOYSA-N 0 3 217.316 2.229 20 30 BEEDHN C#CCCN(CCOC)Cc1ccc(OC)cc1 ZINC000760818486 585398098 /nfs/dbraw/zinc/39/80/98/585398098.db2.gz FGMQWGVYVXEKJO-UHFFFAOYSA-N 0 3 247.338 2.167 20 30 BEEDHN C#CCCN1CCN(c2ccc(CC)cc2)CC1 ZINC000760842067 585399293 /nfs/dbraw/zinc/39/92/93/585399293.db2.gz VWZAITPAJMWHHG-UHFFFAOYSA-N 0 3 242.366 2.394 20 30 BEEDHN C#CCCN1CCC[C@@H]1c1ccccn1 ZINC000760843017 585399361 /nfs/dbraw/zinc/39/93/61/585399361.db2.gz HKNLBHMCOMZHEX-CYBMUJFWSA-N 0 3 200.285 2.242 20 30 BEEDHN C#CCCN[C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000760859988 585400000 /nfs/dbraw/zinc/40/00/00/585400000.db2.gz JYRIINHZCMEKNO-OCCSQVGLSA-N 0 3 245.322 2.150 20 30 BEEDHN C#CCCNC(C)(C)C(=O)Nc1ccccc1 ZINC000760860582 585400191 /nfs/dbraw/zinc/40/01/91/585400191.db2.gz PQUKDUIZWZWQGP-UHFFFAOYSA-N 0 3 230.311 2.017 20 30 BEEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C)[C@H](C)C1 ZINC000761080516 585406807 /nfs/dbraw/zinc/40/68/07/585406807.db2.gz WQYZHKBGPCCHRP-OLZOCXBDSA-N 0 3 243.354 2.255 20 30 BEEDHN COc1cccc(N=NC2C[C@H](C)N(C)C2)c1 ZINC000761804522 585418823 /nfs/dbraw/zinc/41/88/23/585418823.db2.gz POHRXQRSEFDMDM-JTQLQIEISA-N 0 3 233.315 2.187 20 30 BEEDHN C[C@H]1CC(N=Nc2cccc(F)c2)CN1C ZINC000761811812 585419198 /nfs/dbraw/zinc/41/91/98/585419198.db2.gz IPSLFXKDXAREGY-VIFPVBQESA-N 0 3 221.279 2.318 20 30 BEEDHN C#CCN(Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000763382632 585447247 /nfs/dbraw/zinc/44/72/47/585447247.db2.gz FFJQMSDAMCDTLM-UHFFFAOYSA-N 0 3 245.322 2.307 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1ccc(OCC)cc1 ZINC000763897442 585456637 /nfs/dbraw/zinc/45/66/37/585456637.db2.gz ZNUWJHLKXHNKJA-UHFFFAOYSA-N 0 3 248.326 2.142 20 30 BEEDHN C=C(CN(C)C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000763921515 585456759 /nfs/dbraw/zinc/45/67/59/585456759.db2.gz UUDMLWNWTDDOMR-KGYLQXTDSA-N 0 3 238.375 2.045 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1cc(F)ccc1C ZINC000763902146 585456933 /nfs/dbraw/zinc/45/69/33/585456933.db2.gz UDNYSVHPGMGUOR-UHFFFAOYSA-N 0 3 236.290 2.190 20 30 BEEDHN C=C(CN(C)C)C(=O)NCCC1=CCCCC1 ZINC000763948951 585457637 /nfs/dbraw/zinc/45/76/37/585457637.db2.gz SCMJCWZMJVUPAE-UHFFFAOYSA-N 0 3 236.359 2.111 20 30 BEEDHN C=C(CN(C)C)C(=O)N[C@@H](C)CCCC(C)C ZINC000764100413 585459759 /nfs/dbraw/zinc/45/97/59/585459759.db2.gz UPHZSSYXSVEFOT-ZDUSSCGKSA-N 0 3 240.391 2.435 20 30 BEEDHN C=C(CN(C)C)C(=O)NCCCC1CCCC1 ZINC000764147718 585461069 /nfs/dbraw/zinc/46/10/69/585461069.db2.gz XBWJTWHOQOEYLS-UHFFFAOYSA-N 0 3 238.375 2.191 20 30 BEEDHN Cc1cccc(CN=NC2CN(C)C[C@@H]2C)c1 ZINC000764715571 585471770 /nfs/dbraw/zinc/47/17/70/585471770.db2.gz MLTHVPPTOVCITK-LBPRGKRZSA-N 0 3 231.343 2.022 20 30 BEEDHN c1ccc(N=NC2CCN3CCC[C@@H]23)cc1 ZINC000765543002 585489342 /nfs/dbraw/zinc/48/93/42/585489342.db2.gz KLWMCFVPPYFJFT-ZDUSSCGKSA-N 0 3 215.300 2.323 20 30 BEEDHN N#Cc1cccc(N=NC2CCN3CCC[C@H]23)c1 ZINC000765567127 585489970 /nfs/dbraw/zinc/48/99/70/585489970.db2.gz ZZGSPINZCKTRLK-CQSZACIVSA-N 0 3 240.310 2.194 20 30 BEEDHN N#C[C@@H]1CCC[C@H](NCCOc2cccnc2)C1 ZINC000765924891 585493642 /nfs/dbraw/zinc/49/36/42/585493642.db2.gz AHXNNIMDCGKRNV-OLZOCXBDSA-N 0 3 245.326 2.132 20 30 BEEDHN C#C[C@H](C)N(C)Cc1cc(C)cc(OC)c1O ZINC000766666579 585505048 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ZVDICJZEGCHXRG-UHFFFAOYSA-N 0 3 243.395 2.160 20 30 BEEDHN Oc1ccc(C=NNc2cc(Cl)ccn2)nc1 ZINC000777905341 585723358 /nfs/dbraw/zinc/72/33/58/585723358.db2.gz HJMHFFDIFZXRSZ-UHFFFAOYSA-N 0 3 248.673 2.282 20 30 BEEDHN CC1(C=Nn2cnnc2)CCCCCC1 ZINC000779757143 585761238 /nfs/dbraw/zinc/76/12/38/585761238.db2.gz ZHOGITZXLWKFTN-UHFFFAOYSA-N 0 3 206.293 2.473 20 30 BEEDHN CC(CCCC(C)C)=NNC1=N[C@@H](C)CN1 ZINC000779792213 585763708 /nfs/dbraw/zinc/76/37/08/585763708.db2.gz QCZKIKQAPPADNH-NSHDSACASA-N 0 3 224.352 2.126 20 30 BEEDHN C[C@H]1CC(N=Nc2ccnc(F)c2)CCN1C ZINC000781127296 585790959 /nfs/dbraw/zinc/79/09/59/585790959.db2.gz LVMVLQQVACNBEL-VIFPVBQESA-N 0 3 236.294 2.103 20 30 BEEDHN C#CCCCN1CCC[C@@H](OC(F)F)C1 ZINC000781352693 585795183 /nfs/dbraw/zinc/79/51/83/585795183.db2.gz GDAIKUYESPDOCF-SNVBAGLBSA-N 0 3 217.259 2.103 20 30 BEEDHN C[C@H](C#N)OCCN1CCC[C@H]1c1cccnc1 ZINC000805748661 585838686 /nfs/dbraw/zinc/83/86/86/585838686.db2.gz QTIRMCBEXBEQOY-OCCSQVGLSA-N 0 3 245.326 2.147 20 30 BEEDHN CC[C@@H]1CCC[C@@H](C=Nn2cnnc2)C1 ZINC000783770690 585842790 /nfs/dbraw/zinc/84/27/90/585842790.db2.gz HOIGPAWLDPFHDM-GHMZBOCLSA-N 0 3 206.293 2.328 20 30 BEEDHN C[C@H](C#N)Oc1ccc(CNCCCC#N)cc1 ZINC000784621198 585864920 /nfs/dbraw/zinc/86/49/20/585864920.db2.gz GMMRFERMNJYGME-GFCCVEGCSA-N 0 3 243.310 2.371 20 30 BEEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C)[C@H](C)C1 ZINC000785478138 585874579 /nfs/dbraw/zinc/87/45/79/585874579.db2.gz MBGDMAHQNXNZSG-CHWSQXEVSA-N 0 3 243.354 2.255 20 30 BEEDHN C=C(C)COCCNCc1ccc(F)nc1C ZINC000785490021 585874659 /nfs/dbraw/zinc/87/46/59/585874659.db2.gz UQTCSOCPRLKZFV-UHFFFAOYSA-N 0 3 238.306 2.211 20 30 BEEDHN C#CCCN(C)[C@@H](COC)Cc1ccccc1 ZINC000789454615 585943084 /nfs/dbraw/zinc/94/30/84/585943084.db2.gz BWFWQLGPQPEBEP-OAHLLOKOSA-N 0 3 231.339 2.199 20 30 BEEDHN C#CCCCNCc1cn2cc(C)ccc2n1 ZINC000790549727 585965944 /nfs/dbraw/zinc/96/59/44/585965944.db2.gz YWBFWFSWFVQQOH-UHFFFAOYSA-N 0 3 227.311 2.146 20 30 BEEDHN C#CCCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000791580211 585984918 /nfs/dbraw/zinc/98/49/18/585984918.db2.gz XUFYSQPCKMBRCZ-IUCAKERBSA-N 0 3 205.223 2.282 20 30 BEEDHN C=C(CN(C)C)C(=O)Nc1cc(C2CC2)ccn1 ZINC000794101380 586032034 /nfs/dbraw/zinc/03/20/34/586032034.db2.gz MTZQSQYERLGNOF-UHFFFAOYSA-N 0 3 245.326 2.015 20 30 BEEDHN C=C(CN(C)C)C(=O)N(C)[C@@H](C)CCCC ZINC000794195508 586035069 /nfs/dbraw/zinc/03/50/69/586035069.db2.gz ZVNKTLVWMASGKA-LBPRGKRZSA-N 0 3 226.364 2.141 20 30 BEEDHN CC[C@@](C)(OC)C(=O)C(C#N)c1ccccn1 ZINC000796630554 586109157 /nfs/dbraw/zinc/10/91/57/586109157.db2.gz DZYGTQLQVZOMJE-ZWNOBZJWSA-N 0 3 232.283 2.073 20 30 BEEDHN COc1cccc([O-])c1C[NH2+]CC1(CC#N)CC1 ZINC000797469366 586127657 /nfs/dbraw/zinc/12/76/57/586127657.db2.gz XHOROGKALXSMPY-UHFFFAOYSA-N 0 3 246.310 2.184 20 30 BEEDHN Cc1nc(F)ccc1CNCC1(CC#N)CC1 ZINC000797468868 586127697 /nfs/dbraw/zinc/12/76/97/586127697.db2.gz RAXHGCFZBSVQNT-UHFFFAOYSA-N 0 3 233.290 2.313 20 30 BEEDHN C#CCOc1ccc(CN2CC(C)C2)cc1 ZINC000798182493 586138578 /nfs/dbraw/zinc/13/85/78/586138578.db2.gz GTEDTJPAHLIZDG-UHFFFAOYSA-N 0 3 215.296 2.150 20 30 BEEDHN Cc1ccc(NNC2=CC(=O)N3CCCC23)cc1 ZINC000799464697 586177376 /nfs/dbraw/zinc/17/73/76/586177376.db2.gz IYQVSHQRTMJJMT-ZDUSSCGKSA-N 0 3 243.310 2.158 20 30 BEEDHN Cc1ccc([C@@H](O)CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000799724611 586194923 /nfs/dbraw/zinc/19/49/23/586194923.db2.gz GBLNAUKLDAODNI-CFVMTHIKSA-N 0 3 244.338 2.310 20 30 BEEDHN c1nncn1N=C1CCC[C@@H](c2cccnc2)C1 ZINC000799865680 586198588 /nfs/dbraw/zinc/19/85/88/586198588.db2.gz KKJNUFQQYXAVQT-LLVKDONJSA-N 0 3 241.298 2.235 20 30 BEEDHN C[C@@H](C#N)OCCN1CCC[C@H]1c1ccncc1 ZINC000801936236 586279335 /nfs/dbraw/zinc/27/93/35/586279335.db2.gz KXFYIFOYYCRBGA-JSGCOSHPSA-N 0 3 245.326 2.147 20 30 BEEDHN Cc1cccc2c1CN(CCO[C@H](C)C#N)CC2 ZINC000801949069 586282705 /nfs/dbraw/zinc/28/27/05/586282705.db2.gz BAOVSDBXCZOUMY-CYBMUJFWSA-N 0 3 244.338 2.282 20 30 BEEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1ccccn1 ZINC000802040140 586286656 /nfs/dbraw/zinc/28/66/56/586286656.db2.gz HXYBFFSDLVAXFZ-SYTKJHMZSA-N 0 3 237.262 2.299 20 30 BEEDHN CC(C)CCC(=NNC1=N[C@@H](C)CN1)C1CC1 ZINC000802712842 586310428 /nfs/dbraw/zinc/31/04/28/586310428.db2.gz WKJVHTHFRJVVIL-JTQLQIEISA-N 0 3 236.363 2.126 20 30 BEEDHN CN1CCCC[C@@H]1CCC(=O)OCCCC#N ZINC000803854428 586377462 /nfs/dbraw/zinc/37/74/62/586377462.db2.gz QNBPVZAVBWTCFE-GFCCVEGCSA-N 0 3 238.331 2.098 20 30 BEEDHN Cc1ccc(C#N)c(NCCN2CCC[C@H]2C)n1 ZINC000804520591 586398527 /nfs/dbraw/zinc/39/85/27/586398527.db2.gz GHCFKKYQQAUBMX-GFCCVEGCSA-N 0 3 244.342 2.158 20 30 BEEDHN C=CCCCCC[C@@H](C)NCc1cnnn1C ZINC000806660346 586416031 /nfs/dbraw/zinc/41/60/31/586416031.db2.gz VWBPSAIUXLHUHC-GFCCVEGCSA-N 0 3 236.363 2.430 20 30 BEEDHN CC(C)N1CC(N=NCC2CCCC2)[C@H](C)C1 ZINC000808007515 586458668 /nfs/dbraw/zinc/45/86/68/586458668.db2.gz CKBDFHQOAKHFRX-GFCCVEGCSA-N 0 3 237.391 2.482 20 30 BEEDHN C#Cc1ccc(CN2CCN(CCC)CC2)cc1 ZINC000809537023 586506360 /nfs/dbraw/zinc/50/63/60/586506360.db2.gz DZJSOELYIKXUHU-UHFFFAOYSA-N 0 3 242.366 2.196 20 30 BEEDHN N#CC[C@@H](O)CN1CCC[C@H]1c1cccs1 ZINC000809569934 586507227 /nfs/dbraw/zinc/50/72/27/586507227.db2.gz HGMMZWGJXLHFDW-MNOVXSKESA-N 0 3 236.340 2.160 20 30 BEEDHN CN(CCCCc1ccccc1)C[C@H](O)CC#N ZINC000809571909 586507288 /nfs/dbraw/zinc/50/72/88/586507288.db2.gz DXRHYTZXDBNRFZ-OAHLLOKOSA-N 0 3 246.354 2.216 20 30 BEEDHN C[C@H](NC[C@H](O)CC#N)C(C)(C)c1ccccc1 ZINC000809578040 586507661 /nfs/dbraw/zinc/50/76/61/586507661.db2.gz HKBUPERYSRPDMN-GXTWGEPZSA-N 0 3 246.354 2.217 20 30 BEEDHN C#Cc1ccc(CN2CCCOC[C@H]2C)cc1 ZINC000809580077 586508792 /nfs/dbraw/zinc/50/87/92/586508792.db2.gz JZJLVYCYFOBZTK-CYBMUJFWSA-N 0 3 229.323 2.279 20 30 BEEDHN C#Cc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000809644330 586510819 /nfs/dbraw/zinc/51/08/19/586510819.db2.gz QHVRXLJCEXTMJQ-KBPBESRZSA-N 0 3 242.366 2.192 20 30 BEEDHN C#C[C@H](C)NCc1cc(OC)c(OC)cc1C ZINC000809683663 586512387 /nfs/dbraw/zinc/51/23/87/586512387.db2.gz JEIDAUOSUHVBFJ-NSHDSACASA-N 0 3 233.311 2.124 20 30 BEEDHN C#CCN(Cc1ccccc1)C[C@H](C)COC ZINC000809718842 586514938 /nfs/dbraw/zinc/51/49/38/586514938.db2.gz ZJUFQIUZFPQZLE-AWEZNQCLSA-N 0 3 231.339 2.404 20 30 BEEDHN C#CCON=C1CCCC[C@H]1N1CCCCC1 ZINC000812232255 586571018 /nfs/dbraw/zinc/57/10/18/586571018.db2.gz ACCZQPXIYINSHP-CQSZACIVSA-N 0 3 234.343 2.421 20 30 BEEDHN CCN1CCC(=NOC2CCC2)[C@@H](C)C1 ZINC000812235297 586571620 /nfs/dbraw/zinc/57/16/20/586571620.db2.gz RLZOPQAQSRCDLR-JTQLQIEISA-N 0 3 210.321 2.273 20 30 BEEDHN CC#CCN(CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850117 586588032 /nfs/dbraw/zinc/58/80/32/586588032.db2.gz LLOULODFLOTVJG-HIFRSBDPSA-N 0 3 231.339 2.454 20 30 BEEDHN C(CC1CC1)ON=C1CCN2CCC[C@@H]12 ZINC000814245443 586620312 /nfs/dbraw/zinc/62/03/12/586620312.db2.gz ZZZISTKUCUEFSE-LBPRGKRZSA-N 0 3 208.305 2.027 20 30 BEEDHN N#C[C@@H]1CC[C@@H](N2CCC(n3cccn3)CC2)C1 ZINC000815044514 586664611 /nfs/dbraw/zinc/66/46/11/586664611.db2.gz CXGBDOSKMMQUHS-TZMCWYRMSA-N 0 3 244.342 2.212 20 30 BEEDHN C[C@@H](CC#N)OC(=O)c1cccc(CN(C)C)c1 ZINC000821624202 587133139 /nfs/dbraw/zinc/13/31/39/587133139.db2.gz BNWZMNSKXUYRFO-NSHDSACASA-N 0 3 246.310 2.207 20 30 BEEDHN C=CCOCCN(C)C[C@](C)(O)c1ccccc1 ZINC000823607032 587232650 /nfs/dbraw/zinc/23/26/50/587232650.db2.gz XWSIZHAKJZOCJC-HNNXBMFYSA-N 0 3 249.354 2.029 20 30 BEEDHN Cn1nc(C2CC2)cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000824187466 587259843 /nfs/dbraw/zinc/25/98/43/587259843.db2.gz HTOIHOYYOLNVSQ-PWSUYJOCSA-N 0 3 244.342 2.079 20 30 BEEDHN C#C[C@@H](C)NCc1ccc2c(c1)OCCCCO2 ZINC000824364280 587267677 /nfs/dbraw/zinc/26/76/77/587267677.db2.gz YZRWHGXLSWGTTP-GFCCVEGCSA-N 0 3 245.322 2.349 20 30 BEEDHN C=C(C)CC[NH2+]Cc1c([O-])cccc1OC ZINC000824743479 587285373 /nfs/dbraw/zinc/28/53/73/587285373.db2.gz DHOKNEHRELDBPX-UHFFFAOYSA-N 0 3 221.300 2.457 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(C)c1 ZINC000824862438 587290967 /nfs/dbraw/zinc/29/09/67/587290967.db2.gz ZXQQNLBUAYKZSD-KGLIPLIRSA-N 0 3 247.338 2.437 20 30 BEEDHN 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590617650 /nfs/dbraw/zinc/61/76/50/590617650.db2.gz JZVGALBTWCEEMU-AWEZNQCLSA-N 0 3 230.311 2.076 20 30 BEEDHN C#C[C@@H]1CCCN(CCCOC(F)(F)F)C1 ZINC000878843719 590631600 /nfs/dbraw/zinc/63/16/00/590631600.db2.gz GXKSBJSJKGPNSH-SNVBAGLBSA-N 0 3 235.249 2.258 20 30 BEEDHN C#CCCCCCN(C)Cc1cnc[nH]1 ZINC000878884600 590640972 /nfs/dbraw/zinc/64/09/72/590640972.db2.gz HDEKBXJJROSDHO-UHFFFAOYSA-N 0 3 205.305 2.035 20 30 BEEDHN C#CCCCCCN(CC#C)C1CSC1 ZINC000878909024 590645758 /nfs/dbraw/zinc/64/57/58/590645758.db2.gz HOQOKMLGIQGUMK-UHFFFAOYSA-N 0 3 221.369 2.231 20 30 BEEDHN C[C@H](CO)[C@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000878916340 590650249 /nfs/dbraw/zinc/65/02/49/590650249.db2.gz JWMIZYYGMRQDGG-BXUZGUMPSA-N 0 3 248.326 2.134 20 30 BEEDHN C[C@@H]1CCCN(Cc2ccc(C#N)o2)[C@H]1CCO ZINC000878920328 590651389 /nfs/dbraw/zinc/65/13/89/590651389.db2.gz QKOGDUVDNGOWIB-RISCZKNCSA-N 0 3 248.326 2.134 20 30 BEEDHN N#CCCCN1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879240902 590720127 /nfs/dbraw/zinc/72/01/27/590720127.db2.gz PXVYASOVOBTQTD-LSDHHAIUSA-N 0 3 244.338 2.488 20 30 BEEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)C(C)C ZINC000879257630 590722521 /nfs/dbraw/zinc/72/25/21/590722521.db2.gz SEVPQURGUJMANX-UHFFFAOYSA-N 0 3 240.391 2.387 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530281 590793134 /nfs/dbraw/zinc/79/31/34/590793134.db2.gz BAISKYGSEMNAAC-XQQFMLRXSA-N 0 3 235.327 2.002 20 30 BEEDHN C=C(Cl)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879557056 590797481 /nfs/dbraw/zinc/79/74/81/590797481.db2.gz MAVXYLMUSRSQMQ-UWVGGRQHSA-N 0 3 217.765 2.424 20 30 BEEDHN CCC#C[C@H](C)N1CCC(C(C)(C)O)CC1 ZINC000879627545 590839497 /nfs/dbraw/zinc/83/94/97/590839497.db2.gz JWATVYDZRFYYEL-LBPRGKRZSA-N 0 3 223.360 2.271 20 30 BEEDHN C=C(C)[C@H](CO)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671774 590846042 /nfs/dbraw/zinc/84/60/42/590846042.db2.gz OPOKATBISXDEEK-MXWKQRLJSA-N 0 3 249.276 2.410 20 30 BEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cc2cnccc2o1 ZINC000879713906 590853701 /nfs/dbraw/zinc/85/37/01/590853701.db2.gz DHPZIRWWDWZKNU-JQWIXIFHSA-N 0 3 246.310 2.415 20 30 BEEDHN C#CCN1CC[C@@]2(CCc3ccccc32)C1 ZINC000879994663 590904735 /nfs/dbraw/zinc/90/47/35/590904735.db2.gz KHWVHKZCQIXPKB-HNNXBMFYSA-N 0 3 211.308 2.210 20 30 BEEDHN N#CCOc1ccc(CN2CC[C@H](CF)C2)cc1 ZINC000880294339 590988816 /nfs/dbraw/zinc/98/88/16/590988816.db2.gz UBNUVMSXPOASFJ-CYBMUJFWSA-N 0 3 248.301 2.380 20 30 BEEDHN C=CCCCCN(C)[C@@H](CC(C)C)C(N)=O ZINC000880591325 591103889 /nfs/dbraw/zinc/10/38/89/591103889.db2.gz GQOOFAMABQTENB-LBPRGKRZSA-N 0 3 226.364 2.175 20 30 BEEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(CCC)C1 ZINC000880742264 591136621 /nfs/dbraw/zinc/13/66/21/591136621.db2.gz XWGQHQXBTGSSMS-GFCCVEGCSA-N 0 3 238.375 2.189 20 30 BEEDHN C=C(Cl)Cn1cc(CNC2CCCC2)nn1 ZINC000881426839 591204148 /nfs/dbraw/zinc/20/41/48/591204148.db2.gz UTQJMGSBDBJRTR-UHFFFAOYSA-N 0 3 240.738 2.063 20 30 BEEDHN CC(C#N)C(=O)NCC[C@H]1CCCC1(F)F ZINC000881583216 591248600 /nfs/dbraw/zinc/24/86/00/591248600.db2.gz JFXNKHIDYDIQGS-DTWKUNHWSA-N 0 3 230.258 2.088 20 30 BEEDHN C#CC[C@@H](CO)NCc1ccc(C2CCC2)cc1 ZINC000883125881 591544521 /nfs/dbraw/zinc/54/45/21/591544521.db2.gz XXVQFPQLOHYKBC-INIZCTEOSA-N 0 3 243.350 2.428 20 30 BEEDHN C=CCC[C@@H](NCc1cncn1C)[C@H]1CCCO1 ZINC000883223426 591577166 /nfs/dbraw/zinc/57/71/66/591577166.db2.gz PAJCLHOKWGMOSB-ZIAGYGMSSA-N 0 3 249.358 2.024 20 30 BEEDHN C#CC1([NH2+]Cc2ccccc2[O-])CCCC1 ZINC000883362351 591630809 /nfs/dbraw/zinc/63/08/09/591630809.db2.gz AKRHGZWIAGRTCO-UHFFFAOYSA-N 0 3 215.296 2.428 20 30 BEEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cncc(C)c1 ZINC000883391150 591642419 /nfs/dbraw/zinc/64/24/19/591642419.db2.gz DHUOQQAOSCPRMR-JSGCOSHPSA-N 0 3 234.343 2.368 20 30 BEEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccccn1 ZINC000883390478 591642824 /nfs/dbraw/zinc/64/28/24/591642824.db2.gz MWNYJWPQKBSSON-NEPJUHHUSA-N 0 3 220.316 2.059 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1cc(C#N)cs1 ZINC000883400569 591647509 /nfs/dbraw/zinc/64/75/09/591647509.db2.gz PZVGWUGXGAOHLK-LLVKDONJSA-N 0 3 236.340 2.036 20 30 BEEDHN C=C(C)C[C@@H](CO)NCc1occc1C ZINC000883400440 591647596 /nfs/dbraw/zinc/64/75/96/591647596.db2.gz MMMNGUQUGBDBGH-NSHDSACASA-N 0 3 209.289 2.005 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1ccc(CC)o1 ZINC000883400656 591647652 /nfs/dbraw/zinc/64/76/52/591647652.db2.gz RYHPBKZNNAVJKZ-LLVKDONJSA-N 0 3 223.316 2.259 20 30 BEEDHN C=C(C)C[C@@H](CO)NCc1csc(C)c1 ZINC000883400661 591647660 /nfs/dbraw/zinc/64/76/60/591647660.db2.gz SAXYKQREGWLVQL-LBPRGKRZSA-N 0 3 225.357 2.473 20 30 BEEDHN C=C(C)C[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000883400312 591647729 /nfs/dbraw/zinc/64/77/29/591647729.db2.gz JFSWJTDTNDCGFL-AWEZNQCLSA-N 0 3 249.354 2.426 20 30 BEEDHN C=C(C)C[C@H](CO)NCc1ccsc1 ZINC000883401516 591648359 /nfs/dbraw/zinc/64/83/59/591648359.db2.gz ORNZDOXTHQJSGU-LLVKDONJSA-N 0 3 211.330 2.165 20 30 BEEDHN C=CCNCc1cc(C)cc(OC)c1OC ZINC000885894032 592106543 /nfs/dbraw/zinc/10/65/43/592106543.db2.gz DEULJNGRSWFWNZ-UHFFFAOYSA-N 0 3 221.300 2.288 20 30 BEEDHN C=CC[C@H](CO)CNCc1ccc(Cl)cn1 ZINC000886056960 592141213 /nfs/dbraw/zinc/14/12/13/592141213.db2.gz ABIKDDLSUMFEAQ-JTQLQIEISA-N 0 3 240.734 2.009 20 30 BEEDHN C=CCN(C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886104583 592155086 /nfs/dbraw/zinc/15/50/86/592155086.db2.gz GMESBVRYHUABID-ZDUSSCGKSA-N 0 3 234.343 2.082 20 30 BEEDHN C=C(C)CN(C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886116338 592157530 /nfs/dbraw/zinc/15/75/30/592157530.db2.gz GIQNGQFGZAZZNQ-CHWSQXEVSA-N 0 3 209.333 2.452 20 30 BEEDHN C[C@]1(C#N)CCCN(C[C@H]2C[C@]23CCOC3)C1 ZINC000886125642 592158785 /nfs/dbraw/zinc/15/87/85/592158785.db2.gz XTARNOMDHFBJNX-MCIONIFRSA-N 0 3 234.343 2.039 20 30 BEEDHN C[C@]1(C#N)CCCN(C[C@H]2C[C@@]23CCOC3)C1 ZINC000886125643 592159217 /nfs/dbraw/zinc/15/92/17/592159217.db2.gz XTARNOMDHFBJNX-MGPQQGTHSA-N 0 3 234.343 2.039 20 30 BEEDHN C[C@]1(C#N)CCCN(C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886125641 592159261 /nfs/dbraw/zinc/15/92/61/592159261.db2.gz XTARNOMDHFBJNX-BFHYXJOUSA-N 0 3 234.343 2.039 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C)co1 ZINC000886133896 592160543 /nfs/dbraw/zinc/16/05/43/592160543.db2.gz DUKNYGWKCAREAF-OLZOCXBDSA-N 0 3 221.300 2.411 20 30 BEEDHN C#CCN(C[C@H]1CC[C@H](C2CC2)O1)C1CC1 ZINC000886136676 592160643 /nfs/dbraw/zinc/16/06/43/592160643.db2.gz UAQWKPPUQMNWJB-ZIAGYGMSSA-N 0 3 219.328 2.042 20 30 BEEDHN C#CCN(C)C[C@H](C)COCc1ccccc1 ZINC000886166149 592167566 /nfs/dbraw/zinc/16/75/66/592167566.db2.gz AGKABTKKHYSSAT-AWEZNQCLSA-N 0 3 231.339 2.404 20 30 BEEDHN C#CC[C@@H](CCOC)NCc1cc(C)co1 ZINC000886173624 592169203 /nfs/dbraw/zinc/16/92/03/592169203.db2.gz VEUSNHOYNHMHCH-LBPRGKRZSA-N 0 3 221.300 2.106 20 30 BEEDHN C#C[C@H](C)N(C)C[C@@H]1CCC2(CCC2)CO1 ZINC000886173058 592169759 /nfs/dbraw/zinc/16/97/59/592169759.db2.gz DXAVXCILIOOAOS-STQMWFEESA-N 0 3 221.344 2.289 20 30 BEEDHN C#CC(C)(C)N(C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886172966 592170021 /nfs/dbraw/zinc/17/00/21/592170021.db2.gz BFYMHBFYZSOVKI-CHWSQXEVSA-N 0 3 221.344 2.288 20 30 BEEDHN C=CCOc1cccc(CN[C@]23C[C@H]2COC3)c1 ZINC000886201684 592175087 /nfs/dbraw/zinc/17/50/87/592175087.db2.gz NSYLOESQABGUFV-ZFWWWQNUSA-N 0 3 245.322 2.130 20 30 BEEDHN C#CC[C@H]1CCN(C[C@@H](O)c2ccccc2F)C1 ZINC000886356228 592216129 /nfs/dbraw/zinc/21/61/29/592216129.db2.gz WKNAYAFAZIJGST-SWLSCSKDSA-N 0 3 247.313 2.204 20 30 BEEDHN C#CC[C@H]1CCN(CCc2cscn2)C1 ZINC000886365290 592219996 /nfs/dbraw/zinc/21/99/96/592219996.db2.gz FMHIPWIOLUAEPP-NSHDSACASA-N 0 3 220.341 2.031 20 30 BEEDHN C#CCC1(NCc2cnccc2C)CCOCC1 ZINC000886378905 592221261 /nfs/dbraw/zinc/22/12/61/592221261.db2.gz FVCUHUWSZALUHU-UHFFFAOYSA-N 0 3 244.338 2.052 20 30 BEEDHN C#CCN1CCC[C@H](N[C@@H](C)c2ccc(C)o2)C1 ZINC000886659815 592292788 /nfs/dbraw/zinc/29/27/88/592292788.db2.gz WFLJYQOQHBYFTJ-KBPBESRZSA-N 0 3 246.354 2.336 20 30 BEEDHN C=CCC1(O)CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886778836 592320773 /nfs/dbraw/zinc/32/07/73/592320773.db2.gz XFJZMHFORRVDPN-QWHCGFSZSA-N 0 3 234.343 2.082 20 30 BEEDHN C=CCCCN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886798677 592330215 /nfs/dbraw/zinc/33/02/15/592330215.db2.gz FVNHDVYYMUZXBL-SNVBAGLBSA-N 0 3 237.265 2.199 20 30 BEEDHN C=C(C)CCN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886808580 592335938 /nfs/dbraw/zinc/33/59/38/592335938.db2.gz LLTPKFCLJPRCCU-SNVBAGLBSA-N 0 3 237.265 2.199 20 30 BEEDHN C=C(C)[C@@H](CO)N[C@@H]1CCc2c1cccc2F ZINC000886927827 592396672 /nfs/dbraw/zinc/39/66/72/592396672.db2.gz YSEVUKXAXOHPOC-ZIAGYGMSSA-N 0 3 235.302 2.340 20 30 BEEDHN N#CCCOCCN[C@@H]1CCc2c1cccc2F ZINC000886928583 592397248 /nfs/dbraw/zinc/39/72/48/592397248.db2.gz DUFRWIDFHITQKX-CQSZACIVSA-N 0 3 248.301 2.333 20 30 BEEDHN N#CCC[C@H](C#N)CNC1(C2CC2)CCC1 ZINC000887145308 592461549 /nfs/dbraw/zinc/46/15/49/592461549.db2.gz XPKZLGQDMDGTEL-LLVKDONJSA-N 0 3 217.316 2.352 20 30 BEEDHN Cc1cccc(C)c1CN(C)C(=O)C(C)C#N ZINC000887960751 592563404 /nfs/dbraw/zinc/56/34/04/592563404.db2.gz PQJABQRMZFSTIC-GFCCVEGCSA-N 0 3 230.311 2.422 20 30 BEEDHN CC(C#N)C(=O)NC[C@H]1CCC=CCCC1 ZINC000890051429 592670980 /nfs/dbraw/zinc/67/09/80/592670980.db2.gz MOEXDMQXTOEGGT-NEPJUHHUSA-N 0 3 220.316 2.399 20 30 BEEDHN C=C(Cl)CN1CCCC[C@@H]1[C@@H](C)CO ZINC000829250465 592707548 /nfs/dbraw/zinc/70/75/48/592707548.db2.gz FZPUNDYMCDFVNP-GXSJLCMTSA-N 0 3 217.740 2.222 20 30 BEEDHN C=C(C)C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000095230035 608467956 /nfs/dbraw/zinc/46/79/56/608467956.db2.gz HGIGRMOZWMSUOH-SNVBAGLBSA-N 0 3 243.314 2.093 20 30 BEEDHN C=C(C)C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095230035 608467958 /nfs/dbraw/zinc/46/79/58/608467958.db2.gz HGIGRMOZWMSUOH-SNVBAGLBSA-N 0 3 243.314 2.093 20 30 BEEDHN C=C(C)C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000095230034 608468287 /nfs/dbraw/zinc/46/82/87/608468287.db2.gz HGIGRMOZWMSUOH-JTQLQIEISA-N 0 3 243.314 2.093 20 30 BEEDHN C=C(C)C[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000095230034 608468289 /nfs/dbraw/zinc/46/82/89/608468289.db2.gz HGIGRMOZWMSUOH-JTQLQIEISA-N 0 3 243.314 2.093 20 30 BEEDHN 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C=C(CN(C)C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000764070786 585459099 /nfs/dbraw/zinc/45/90/99/585459099.db2.gz PZCSYRWHNJFMFA-LBPRGKRZSA-N 0 3 244.338 2.082 20 30 BEEDHN C=C(CN(C)C)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000764154079 585459977 /nfs/dbraw/zinc/45/99/77/585459977.db2.gz YCYQWBRSWHIJIP-WCQYABFASA-N 0 3 238.375 2.141 20 30 BEEDHN C=C(CN(C)C)C(=O)N[C@H](C)CCCCC ZINC000764151067 585460975 /nfs/dbraw/zinc/46/09/75/585460975.db2.gz MPZWIGJEGASVHD-GFCCVEGCSA-N 0 3 226.364 2.189 20 30 BEEDHN CC(C)[C@@H]1CCCCC1=Nn1cnnc1 ZINC000764641802 585470032 /nfs/dbraw/zinc/47/00/32/585470032.db2.gz SDCPDXISJNVQKD-JTQLQIEISA-N 0 3 206.293 2.328 20 30 BEEDHN Fc1ccccc1N=NC1CCN2CCC[C@H]12 ZINC000765572906 585489892 /nfs/dbraw/zinc/48/98/92/585489892.db2.gz PRSPVZBFUJTQSW-CYBMUJFWSA-N 0 3 233.290 2.462 20 30 BEEDHN C#CCOc1ccccc1CN(C)CCCF ZINC000766074044 585497381 /nfs/dbraw/zinc/49/73/81/585497381.db2.gz ZPAXBPYHMPRADF-UHFFFAOYSA-N 0 3 235.302 2.490 20 30 BEEDHN CCCCCCCN1CCN2C(=O)CC[C@@H]2C1 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238.360 2.352 20 30 BEEDHN CCC(=NNCCOC(C)C)c1ccc(N)cc1 ZINC000863104611 589256195 /nfs/dbraw/zinc/25/61/95/589256195.db2.gz AYWCCFLIMVMIBN-UHFFFAOYSA-N 0 3 249.358 2.398 20 30 BEEDHN CCC(=NNC1CC1)c1ccc(N)cc1 ZINC000863106776 589256628 /nfs/dbraw/zinc/25/66/28/589256628.db2.gz PFCYOPSTAZYXJH-UHFFFAOYSA-N 0 3 203.289 2.135 20 30 BEEDHN CC(=NNc1ccnc(C)c1)c1csc(C)n1 ZINC000863158656 589264139 /nfs/dbraw/zinc/26/41/39/589264139.db2.gz KUJIXVLRSQQEPK-UHFFFAOYSA-N 0 3 246.339 2.413 20 30 BEEDHN CC(=NNc1ccnc(C)c1)c1nc(C)cs1 ZINC000863161268 589265481 /nfs/dbraw/zinc/26/54/81/589265481.db2.gz ZZZXJKIESHMSJU-UHFFFAOYSA-N 0 3 246.339 2.413 20 30 BEEDHN CC(=Nn1cccn1)c1ccc(CN(C)C)cc1 ZINC000863163379 589266032 /nfs/dbraw/zinc/26/60/32/589266032.db2.gz AGOJJDACEPTYCR-UHFFFAOYSA-N 0 3 242.326 2.217 20 30 BEEDHN CC(=Nn1cccn1)c1cccc(CN(C)C)c1 ZINC000863163507 589266306 /nfs/dbraw/zinc/26/63/06/589266306.db2.gz GNYRJLCZNGIUIU-UHFFFAOYSA-N 0 3 242.326 2.217 20 30 BEEDHN N#CC(C(=O)C=C1CCC1)c1ccccn1 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0 3 247.404 2.003 20 30 BEEDHN C=C(Cl)CN[C@]12CCC[C@H]1OCC2 ZINC000872311680 589909273 /nfs/dbraw/zinc/90/92/73/589909273.db2.gz WYBORKAZMQVERS-ZJUUUORDSA-N 0 3 201.697 2.040 20 30 BEEDHN COc1cccc(N=NC2CCN(C)[C@H]2C)c1 ZINC000872338112 589914041 /nfs/dbraw/zinc/91/40/41/589914041.db2.gz BLOVYOZBZFASRB-JTQLQIEISA-N 0 3 233.315 2.187 20 30 BEEDHN CCNc1ccccc1C=NN[C@H](C)COC ZINC000872363086 589920136 /nfs/dbraw/zinc/92/01/36/589920136.db2.gz POWZXOPUBXUTPZ-LLVKDONJSA-N 0 3 235.331 2.077 20 30 BEEDHN CCNc1ccccc1C=NNCCOC(C)C ZINC000872364716 589920470 /nfs/dbraw/zinc/92/04/70/589920470.db2.gz SAKGPWPKBVSAHP-UHFFFAOYSA-N 0 3 249.358 2.467 20 30 BEEDHN CC(=NN1CCC1)c1cccc(CN(C)C)c1 ZINC000872398087 589934579 /nfs/dbraw/zinc/93/45/79/589934579.db2.gz CZHNWMXTBXSZNM-UHFFFAOYSA-N 0 3 231.343 2.178 20 30 BEEDHN Cc1cc(N(C)C)ccc1C=NN1CCC1 ZINC000872398542 589934810 /nfs/dbraw/zinc/93/48/10/589934810.db2.gz VNRQJPNRANCFSU-UHFFFAOYSA-N 0 3 217.316 2.101 20 30 BEEDHN CCC(=NN1CCC1)c1ccc(N)cc1 ZINC000872398938 589935114 /nfs/dbraw/zinc/93/51/14/589935114.db2.gz NVBCXAAZZBURRA-UHFFFAOYSA-N 0 3 203.289 2.089 20 30 BEEDHN C=CC(C)(C)CCCNCc1cnnn1CC ZINC000873151994 589986754 /nfs/dbraw/zinc/98/67/54/589986754.db2.gz VEJSTZMDSBKSHT-UHFFFAOYSA-N 0 3 236.363 2.380 20 30 BEEDHN CCOC1CC(NCc2ccc(C#N)cc2)C1 ZINC000124776644 590084617 /nfs/dbraw/zinc/08/46/17/590084617.db2.gz OQORRAYSQGSSRQ-UHFFFAOYSA-N 0 3 230.311 2.215 20 30 BEEDHN C=CCN(C(=O)CN(C)CC(C)(C)C)C(C)C ZINC000874352109 590105634 /nfs/dbraw/zinc/10/56/34/590105634.db2.gz RPIHCGDKYLLLAV-UHFFFAOYSA-N 0 3 240.391 2.387 20 30 BEEDHN C#C[C@@H](C)NCc1ccc2ncccc2c1 ZINC000124993939 590107350 /nfs/dbraw/zinc/10/73/50/590107350.db2.gz HQNLYYVMRZLZIR-LLVKDONJSA-N 0 3 210.280 2.346 20 30 BEEDHN C=C(CN(C)C)C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000874591058 590118205 /nfs/dbraw/zinc/11/82/05/590118205.db2.gz DVBLTPQPAWIXAT-GFCCVEGCSA-N 0 3 240.391 2.245 20 30 BEEDHN C=C(C)COCCNCc1ccc(N(C)C)cc1 ZINC000125787626 590189470 /nfs/dbraw/zinc/18/94/70/590189470.db2.gz VBVDFZFXZJMLTD-UHFFFAOYSA-N 0 3 248.370 2.435 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000876545116 590213009 /nfs/dbraw/zinc/21/30/09/590213009.db2.gz ALFDDVVXWGMEQV-AXFHLTTASA-N 0 3 244.766 2.246 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)CC1CC1 ZINC000876550155 590214551 /nfs/dbraw/zinc/21/45/51/590214551.db2.gz QYAAETRKIRWFQL-NSHDSACASA-N 0 3 244.766 2.105 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CCC(C)C ZINC000876549441 590214619 /nfs/dbraw/zinc/21/46/19/590214619.db2.gz PKXWOJAIUWYOFN-MNOVXSKESA-N 0 3 246.782 2.397 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)CCCC ZINC000876550250 590214700 /nfs/dbraw/zinc/21/47/00/590214700.db2.gz UVAFDERRIXGHOK-SNVBAGLBSA-N 0 3 232.755 2.105 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(CC)CC ZINC000876576641 590217770 /nfs/dbraw/zinc/21/77/70/590217770.db2.gz ORUQZHUVGBATNL-SNVBAGLBSA-N 0 3 232.755 2.009 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000876599513 590220346 /nfs/dbraw/zinc/22/03/46/590220346.db2.gz DAUGNKVTFHVLQJ-ZJUUUORDSA-N 0 3 246.782 2.349 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCCC)C1CC1 ZINC000876602168 590220992 /nfs/dbraw/zinc/22/09/92/590220992.db2.gz YHNMHNGYBLNABZ-LLVKDONJSA-N 0 3 244.766 2.247 20 30 BEEDHN C#CC[N@@H+](CC)Cc1ccc(C)cc1[O-] ZINC000876639889 590225274 /nfs/dbraw/zinc/22/52/74/590225274.db2.gz VPKJCJYQHQZGTB-UHFFFAOYSA-N 0 3 203.285 2.156 20 30 BEEDHN C#CC[N@H+](CC)Cc1ccc(C)cc1[O-] ZINC000876639889 590225275 /nfs/dbraw/zinc/22/52/75/590225275.db2.gz VPKJCJYQHQZGTB-UHFFFAOYSA-N 0 3 203.285 2.156 20 30 BEEDHN CC[C@H](C)[C@H](CN1CCC(C#N)CC1)OC ZINC000876652701 590226109 /nfs/dbraw/zinc/22/61/09/590226109.db2.gz HTLQBXFHUPCWRC-AAEUAGOBSA-N 0 3 224.348 2.283 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(CC)CC ZINC000876662333 590227077 /nfs/dbraw/zinc/22/70/77/590227077.db2.gz WKSPRKGBLJLCHV-SECBINFHSA-N 0 3 232.755 2.151 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(CC)CC ZINC000876662334 590227378 /nfs/dbraw/zinc/22/73/78/590227378.db2.gz WKSPRKGBLJLCHV-VIFPVBQESA-N 0 3 232.755 2.151 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000876669991 590228751 /nfs/dbraw/zinc/22/87/51/590228751.db2.gz CWNLXHXFPKLNTM-MIMYLULJSA-N 0 3 244.766 2.103 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCC(C)(C)C ZINC000876676885 590229732 /nfs/dbraw/zinc/22/97/32/590229732.db2.gz ZVIPJACCYKNTKI-SNVBAGLBSA-N 0 3 246.782 2.399 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(C(C)C)CC1 ZINC000876678895 590229744 /nfs/dbraw/zinc/22/97/44/590229744.db2.gz SEYKZESVQJYAKY-JTQLQIEISA-N 0 3 244.766 2.009 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)C[C@@H](C)CC ZINC000876698152 590231782 /nfs/dbraw/zinc/23/17/82/590231782.db2.gz MPEWIPCGRKORRX-ONGXEEELSA-N 0 3 246.782 2.351 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](CC)CC[C@@H]1C ZINC000876901700 590255528 /nfs/dbraw/zinc/25/55/28/590255528.db2.gz HTPKGEGJAVBZEO-AXFHLTTASA-N 0 3 244.766 2.246 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H](C)CC ZINC000876960647 590261622 /nfs/dbraw/zinc/26/16/22/590261622.db2.gz JBWLLUCTMWSKQQ-WPRPVWTQSA-N 0 3 232.755 2.009 20 30 BEEDHN C=CCCC(C)(C)NC(=O)[C@H](N)CC(=C)Cl ZINC000876978102 590263079 /nfs/dbraw/zinc/26/30/79/590263079.db2.gz GFRLSKPKWNRKLS-SNVBAGLBSA-N 0 3 244.766 2.317 20 30 BEEDHN C#CCCCCCCN[C@H](C)c1nncn1C ZINC000877016455 590269201 /nfs/dbraw/zinc/26/92/01/590269201.db2.gz GNXAXLZHEOFHTD-GFCCVEGCSA-N 0 3 234.347 2.049 20 30 BEEDHN C=CCCOCCNC[C@H]1CC1(Cl)Cl ZINC000877125082 590289344 /nfs/dbraw/zinc/28/93/44/590289344.db2.gz XDSNOFVWDMKGQN-SECBINFHSA-N 0 3 238.158 2.363 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)C(C)(C)C ZINC000877303419 590310695 /nfs/dbraw/zinc/31/06/95/590310695.db2.gz GJBGBSFHOTTYIH-LLVKDONJSA-N 0 3 240.391 2.468 20 30 BEEDHN CCO[P@](C)(=O)CC[C@@H](C)NC[C@@H](C)C#N ZINC000877322105 590316553 /nfs/dbraw/zinc/31/65/53/590316553.db2.gz ZFYZDORAUKBFNB-USBNGQNGSA-N 0 3 246.291 2.459 20 30 BEEDHN C#C[C@H](NCCC(C)(C)SC)[C@@H]1CCCO1 ZINC000877413820 590324623 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244.338 2.221 20 30 BEEDHN C=CCC[C@H](C)N[C@H](C(N)=O)c1ccccc1 ZINC001181371357 979064310 /nfs/dbraw/zinc/06/43/10/979064310.db2.gz ALUTTWJEPUTCAW-AAEUAGOBSA-N 0 3 232.327 2.157 20 30 BEEDHN C=CCN(C)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001341153811 979234169 /nfs/dbraw/zinc/23/41/69/979234169.db2.gz HPDMANJGDVCIDO-IUCAKERBSA-N 0 3 223.238 2.214 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)NC1(CC(C)C)CC1 ZINC001341401675 979375526 /nfs/dbraw/zinc/37/55/26/979375526.db2.gz OGIWZFSEWPPODI-GFCCVEGCSA-N 0 3 238.375 2.365 20 30 BEEDHN N#CCCCC1=CC[C@H](N2CCOCC2)CC1 ZINC001250060159 979538949 /nfs/dbraw/zinc/53/89/49/979538949.db2.gz LRSSIVRTDCWLOW-AWEZNQCLSA-N 0 3 234.343 2.491 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1O ZINC001341749347 979542048 /nfs/dbraw/zinc/54/20/48/979542048.db2.gz AOJCHLZSQMMSQE-SNVBAGLBSA-N 0 3 234.299 2.014 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C#N)c1 ZINC001342301630 979760487 /nfs/dbraw/zinc/76/04/87/979760487.db2.gz PEQWKACEUANZET-CYBMUJFWSA-N 0 3 243.310 2.180 20 30 BEEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C#N)c1 ZINC001342301631 979762395 /nfs/dbraw/zinc/76/23/95/979762395.db2.gz PEQWKACEUANZET-ZDUSSCGKSA-N 0 3 243.310 2.180 20 30 BEEDHN C=CCCCN(CC)CC(=O)NCCCC ZINC001342388791 979787634 /nfs/dbraw/zinc/78/76/34/979787634.db2.gz YUQLQPXBCUXWAS-UHFFFAOYSA-N 0 3 226.364 2.191 20 30 BEEDHN C#CC1CCN(Cc2ccn3nccc3c2)CC1 ZINC001237544250 979937533 /nfs/dbraw/zinc/93/75/33/979937533.db2.gz GEKFIPZLXUIHKY-UHFFFAOYSA-N 0 3 239.322 2.180 20 30 BEEDHN C=CC(C)(C)NC(=O)C[C@H]1NCc2ccccc21 ZINC001343048147 979995296 /nfs/dbraw/zinc/99/52/96/979995296.db2.gz UFHMVSJDHRJIGB-CYBMUJFWSA-N 0 3 244.338 2.302 20 30 BEEDHN C=C(C)CN(C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC001343138264 980020507 /nfs/dbraw/zinc/02/05/07/980020507.db2.gz CUIWAEPVGXTFRJ-VXGBXAGGSA-N 0 3 243.322 2.128 20 30 BEEDHN C#CCN(C)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238207927 980223778 /nfs/dbraw/zinc/22/37/78/980223778.db2.gz SNCVDSQAGFEDNM-UHFFFAOYSA-N 0 3 225.295 2.142 20 30 BEEDHN C=CCO[C@H]1CCN(CCC(F)(F)F)C1 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ILBANLKQQMWAHJ-UHFFFAOYSA-N 0 3 238.294 2.043 20 30 BEEDHN CC#CCC[NH2+]Cc1c(C)cc(OC)cc1[O-] ZINC001462024094 986265393 /nfs/dbraw/zinc/26/53/93/986265393.db2.gz SIKWYBZEMXSTCN-UHFFFAOYSA-N 0 3 233.311 2.212 20 30 BEEDHN C=C[C@H](O)CN[C@@H](C)c1cc(F)ccc1F ZINC001253610821 986284991 /nfs/dbraw/zinc/28/49/91/986284991.db2.gz XNGGOHLIRREAPZ-WPRPVWTQSA-N 0 3 227.254 2.162 20 30 BEEDHN C=C[C@@H](O)CN[C@@H]1CCc2c1c(F)ccc2F ZINC001253612509 986287288 /nfs/dbraw/zinc/28/72/88/986287288.db2.gz ZPAYIYMOAGVPKH-PRHODGIISA-N 0 3 239.265 2.089 20 30 BEEDHN C=C[C@H](O)CN[C@@H](C)c1cccc(F)c1OC ZINC001253611651 986287343 /nfs/dbraw/zinc/28/73/43/986287343.db2.gz SEKGPZIYRWSRGZ-UWVGGRQHSA-N 0 3 239.290 2.032 20 30 BEEDHN COc1ccc(-c2ccnc(CN)c2)cc1C#N ZINC001244709728 986317819 /nfs/dbraw/zinc/31/78/19/986317819.db2.gz DXVFTQMVEJJLQJ-UHFFFAOYSA-N 0 3 239.278 2.088 20 30 BEEDHN CCc1cc(-c2cc(CN)ncn2)ccc1C#N ZINC001244950643 986504358 /nfs/dbraw/zinc/50/43/58/986504358.db2.gz MAUXPJRPBVIMEF-UHFFFAOYSA-N 0 3 238.294 2.036 20 30 BEEDHN CCCc1cc(CN)nn1[C@@H]1CC[C@@H](C#N)C1 ZINC001254646288 986698043 /nfs/dbraw/zinc/69/80/43/986698043.db2.gz MDQGJZYRQMOTRD-ZWNOBZJWSA-N 0 3 232.331 2.159 20 30 BEEDHN CCCCN1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254669270 986718844 /nfs/dbraw/zinc/71/88/44/986718844.db2.gz QAUTUMWVNQBQHG-UONOGXRCSA-N 0 3 235.375 2.096 20 30 BEEDHN CC[C@@H](CC#N)Nc1cccc(F)c1CN ZINC001255153526 986825806 /nfs/dbraw/zinc/82/58/06/986825806.db2.gz YSGHLFXUBZZRGI-VIFPVBQESA-N 0 3 221.279 2.389 20 30 BEEDHN CC[C@H](CC#N)NC(=N)c1cccnc1Cl ZINC001255159446 986832600 /nfs/dbraw/zinc/83/26/00/986832600.db2.gz WGWSSTDSYRJMRE-MRVPVSSYSA-N 0 3 236.706 2.342 20 30 BEEDHN C=CC(C)(C)C(=O)NC[C@H](C)NC[C@H](F)CC ZINC001491547948 987222923 /nfs/dbraw/zinc/22/29/23/987222923.db2.gz MXMHCBNNBUDUID-WDEREUQCSA-N 0 3 244.354 2.041 20 30 BEEDHN C#CCCCCCCN1CC(O)(C(C)C)C1 ZINC001473441442 987437329 /nfs/dbraw/zinc/43/73/29/987437329.db2.gz RLDGCTZSPLATIE-UHFFFAOYSA-N 0 3 223.360 2.273 20 30 BEEDHN 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Cc1ccccc1[C@@H](CO)NCC1(CC#N)CC1 ZINC000602807369 349770890 /nfs/dbraw/zinc/77/08/90/349770890.db2.gz SCVLSUAHPVVJCJ-CQSZACIVSA-N 0 3 244.338 2.312 20 30 BEEDHN CC(C)O[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602857732 349788905 /nfs/dbraw/zinc/78/89/05/349788905.db2.gz YQEONCULFDXKOH-GFCCVEGCSA-N 0 3 222.332 2.180 20 30 BEEDHN C=C[C@H](CO)NCc1ccc2ccccc2c1 ZINC000352465721 136263802 /nfs/dbraw/zinc/26/38/02/136263802.db2.gz NQGNZCAPBLIOKA-OAHLLOKOSA-N 0 3 227.307 2.476 20 30 BEEDHN C[C@@H]1CN([C@H]2C=CCCC2)C[C@@H](C)N1CC#N ZINC000602858395 349789431 /nfs/dbraw/zinc/78/94/31/349789431.db2.gz RQMIZZIKWWXNGG-MCIONIFRSA-N 0 3 233.359 2.013 20 30 BEEDHN CC1(C)CO[C@H](CN2CCC[C@H](CC#N)C2)C1 ZINC000602882329 349791718 /nfs/dbraw/zinc/79/17/18/349791718.db2.gz CSFPLDKNRFUBSO-OLZOCXBDSA-N 0 3 236.359 2.427 20 30 BEEDHN C=CCCCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849697 349784274 /nfs/dbraw/zinc/78/42/74/349784274.db2.gz MHXYBECATOXEGM-KBPBESRZSA-N 0 3 235.375 2.261 20 30 BEEDHN C[C@@H]1CN(CCC2CCC2)C[C@H](C)N1CC#N ZINC000602851150 349785808 /nfs/dbraw/zinc/78/58/08/349785808.db2.gz TVEGLDBMPOVVNZ-BETUJISGSA-N 0 3 235.375 2.095 20 30 BEEDHN CC(C#N)C(=O)N1CCCCC(C)(C)C1 ZINC000336479170 136264184 /nfs/dbraw/zinc/26/41/84/136264184.db2.gz KIVPILXIQYQCDF-SNVBAGLBSA-N 0 3 208.305 2.185 20 30 BEEDHN CC(C)CCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851912 349786566 /nfs/dbraw/zinc/78/65/66/349786566.db2.gz YFMXVRPBOXWZBX-KBPBESRZSA-N 0 3 237.391 2.341 20 30 BEEDHN C[C@@H]1CN(CC2CC(C)(C)C2)C[C@@H](C)N1CC#N ZINC000602851407 349786580 /nfs/dbraw/zinc/78/65/80/349786580.db2.gz VXDCGLNGALVESG-CHWSQXEVSA-N 0 3 249.402 2.341 20 30 BEEDHN C[C@H](O)C[C@@H]1CCCCCN1CC1(C#N)CC1 ZINC000352884116 136265213 /nfs/dbraw/zinc/26/52/13/136265213.db2.gz KYROKRKXKPVAGP-STQMWFEESA-N 0 3 236.359 2.306 20 30 BEEDHN CC(C#N)C(=O)N[C@H](C)c1ccccc1 ZINC000034216905 343074441 /nfs/dbraw/zinc/07/44/41/343074441.db2.gz PLKNBARWRLWNSG-VHSXEESVSA-N 0 3 202.257 2.023 20 30 BEEDHN CCOC(=O)CCCCCN[C@@H](C)CC#N ZINC000602865149 349797308 /nfs/dbraw/zinc/79/73/08/349797308.db2.gz WRLFDOWPMMXXDW-NSHDSACASA-N 0 3 226.320 2.002 20 30 BEEDHN CCOC(=O)CCCCCN[C@H](C)CC#N ZINC000602865148 349797334 /nfs/dbraw/zinc/79/73/34/349797334.db2.gz WRLFDOWPMMXXDW-LLVKDONJSA-N 0 3 226.320 2.002 20 30 BEEDHN C=CCCCCn1cc([C@@H](N)CCC)nn1 ZINC000640939422 362077652 /nfs/dbraw/zinc/07/76/52/362077652.db2.gz PSHMAUVOLZDZHM-NSHDSACASA-N 0 3 222.336 2.434 20 30 BEEDHN CCN(CCC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000402822858 343132679 /nfs/dbraw/zinc/13/26/79/343132679.db2.gz ICLRNUMJICFVCC-GFCCVEGCSA-N 0 3 224.348 2.427 20 30 BEEDHN CN(C)c1ccc(CNCCCC#N)cc1F ZINC000273011507 136282903 /nfs/dbraw/zinc/28/29/03/136282903.db2.gz CCUZDJZNGGJDOC-UHFFFAOYSA-N 0 3 235.306 2.285 20 30 BEEDHN Cc1cccc(CN(C)CCCSCC#N)n1 ZINC000336713771 136278349 /nfs/dbraw/zinc/27/83/49/136278349.db2.gz QIQZDLGMYNLESJ-UHFFFAOYSA-N 0 3 249.383 2.469 20 30 BEEDHN C=CCOCCN(C)CCOCc1ccccc1 ZINC000339014530 136279701 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CC1(C)[C@H](NCC2(C#N)CC2)[C@@H]2CCCO[C@@H]21 ZINC000451481097 388277606 /nfs/dbraw/zinc/27/76/06/388277606.db2.gz SIBOLBDDRXKGAD-TUAOUCFPSA-N 0 3 234.343 2.083 20 30 BEEDHN CCO[C@@H]1CCN(CCCC#N)C[C@H]1C ZINC000451533167 388279956 /nfs/dbraw/zinc/27/99/56/388279956.db2.gz VZMWRAUVYIMLBZ-VXGBXAGGSA-N 0 3 210.321 2.037 20 30 BEEDHN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1ncnn1C ZINC000276694563 388351367 /nfs/dbraw/zinc/35/13/67/388351367.db2.gz VDGJUGFJXFZOKT-DCAQKATOSA-N 0 3 222.336 2.066 20 30 BEEDHN C=CCCCCN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000572830045 388379490 /nfs/dbraw/zinc/37/94/90/388379490.db2.gz XSYGPEKWVULOBV-UONOGXRCSA-N 0 3 239.359 2.223 20 30 BEEDHN C=CCOCCCC(=O)Nc1cccc(CN)c1 ZINC000646578020 388387659 /nfs/dbraw/zinc/38/76/59/388387659.db2.gz CEKRZAOTUOMONW-UHFFFAOYSA-N 0 3 248.326 2.067 20 30 BEEDHN CC(C)[C@@H](O)CN[C@H](C)c1cccc(C#N)c1 ZINC000164543543 388392887 /nfs/dbraw/zinc/39/28/87/388392887.db2.gz HGMFLRISUCDPCU-RISCZKNCSA-N 0 3 232.327 2.226 20 30 BEEDHN CO[C@@H](C)CN(C)Cc1ccc(F)c(C#N)c1 ZINC000304595050 388398069 /nfs/dbraw/zinc/39/80/69/388398069.db2.gz LOANNEXHCBUYJT-JTQLQIEISA-N 0 3 236.290 2.164 20 30 BEEDHN C=C(CC)CNCc1cnc2ccccn12 ZINC000648840062 388448825 /nfs/dbraw/zinc/44/88/25/388448825.db2.gz IXMNJOAIHZOWHO-UHFFFAOYSA-N 0 3 215.300 2.390 20 30 BEEDHN CC(C#N)C(=O)NC[C@H]1CCCCC1(F)F ZINC000335415687 388449776 /nfs/dbraw/zinc/44/97/76/388449776.db2.gz LAJGHUAOYDPNCU-DTWKUNHWSA-N 0 3 230.258 2.088 20 30 BEEDHN C=CCNC(=O)CN1CCCC[C@H]1[C@@H](C)CC ZINC000524811419 388410133 /nfs/dbraw/zinc/41/01/33/388410133.db2.gz JTJVMLSWNOESJR-STQMWFEESA-N 0 3 238.375 2.189 20 30 BEEDHN C[C@H](NCc1ccc(C#N)o1)[C@H]1CCCCO1 ZINC000271941809 388414528 /nfs/dbraw/zinc/41/45/28/388414528.db2.gz BTEOCZLFBFNHBI-GXFFZTMASA-N 0 3 234.299 2.198 20 30 BEEDHN CC1(C)C[C@H](CNC[C@@H](C#N)CCC#N)CCO1 ZINC000573083574 388418860 /nfs/dbraw/zinc/41/88/60/388418860.db2.gz BSAJGPSSBMUKOK-CHWSQXEVSA-N 0 3 249.358 2.225 20 30 BEEDHN COc1ccc(C[C@@H](C)CNCCC#N)cc1 ZINC000573083679 388419034 /nfs/dbraw/zinc/41/90/34/388419034.db2.gz BHQQDXGGOTYNJF-GFCCVEGCSA-N 0 3 232.327 2.377 20 30 BEEDHN C=CC[C@@H](CC)N[C@@H](C)c1ccncn1 ZINC000393802989 388427091 /nfs/dbraw/zinc/42/70/91/388427091.db2.gz NDXKXPBMVLMWIW-WDEREUQCSA-N 0 3 205.305 2.482 20 30 BEEDHN N#C[C@@H]1CC[C@H](NCc2ccc3[nH]cnc3c2)C1 ZINC000516861612 388521353 /nfs/dbraw/zinc/52/13/53/388521353.db2.gz JLCVWKKJLYPQDK-PWSUYJOCSA-N 0 3 240.310 2.345 20 30 BEEDHN N#C[C@@H]1CC[C@H](NCc2ccc3nc[nH]c3c2)C1 ZINC000516861612 388521357 /nfs/dbraw/zinc/52/13/57/388521357.db2.gz JLCVWKKJLYPQDK-PWSUYJOCSA-N 0 3 240.310 2.345 20 30 BEEDHN C=CCCCCN(CC(N)=O)C1CCCC1 ZINC000649285458 388535438 /nfs/dbraw/zinc/53/54/38/388535438.db2.gz DVUHHQIGKHURIT-UHFFFAOYSA-N 0 3 224.348 2.073 20 30 BEEDHN C#CCN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000183598609 256840431 /nfs/dbraw/zinc/84/04/31/256840431.db2.gz XGYYYHHHHBEYQK-GFCCVEGCSA-N 0 3 225.295 2.156 20 30 BEEDHN C[C@@H]1C[C@H](CCNCc2ccc(C#N)o2)CCO1 ZINC000273098822 388590852 /nfs/dbraw/zinc/59/08/52/388590852.db2.gz VGFUEQZZKHZCKA-VXGBXAGGSA-N 0 3 248.326 2.446 20 30 BEEDHN CC(C#N)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000529825216 388591092 /nfs/dbraw/zinc/59/10/92/388591092.db2.gz CTLQPBOHFMMBHU-MFKMUULPSA-N 0 3 243.310 2.199 20 30 BEEDHN C#CCN1CCC(Nc2ccc(F)cc2)CC1 ZINC000037210622 388598235 /nfs/dbraw/zinc/59/82/35/388598235.db2.gz RBOZPGLUZDEZJJ-UHFFFAOYSA-N 0 3 232.302 2.335 20 30 BEEDHN C[C@@H]1C[C@H](NCc2cccc(C#N)c2)[C@H](C)O1 ZINC000296380083 388601939 /nfs/dbraw/zinc/60/19/39/388601939.db2.gz KIQIREQYSCXWHP-SUNKGSAMSA-N 0 3 230.311 2.214 20 30 BEEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000550345404 388606685 /nfs/dbraw/zinc/60/66/85/388606685.db2.gz ZHFRZBGYRMZCRE-GFCCVEGCSA-N 0 3 238.375 2.189 20 30 BEEDHN C=CCN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000080644276 388560482 /nfs/dbraw/zinc/56/04/82/388560482.db2.gz KQZSNMJOJYHOKH-LLVKDONJSA-N 0 3 240.347 2.114 20 30 BEEDHN C=CCCC[C@H](C)N1CCO[C@H](COCC)C1 ZINC000528725304 388561845 /nfs/dbraw/zinc/56/18/45/388561845.db2.gz PYBLQRVUJLPUGJ-KBPBESRZSA-N 0 3 241.375 2.469 20 30 BEEDHN C=C(C)CN(C)Cc1ccc(O)c(OC)c1 ZINC000080846737 388562962 /nfs/dbraw/zinc/56/29/62/388562962.db2.gz IWBKNEXAVNKYGP-UHFFFAOYSA-N 0 3 221.300 2.409 20 30 BEEDHN CC#CCCN1CCc2nc(C3CC3)ncc2C1 ZINC000528738967 388565118 /nfs/dbraw/zinc/56/51/18/388565118.db2.gz IFFYIFFBCOFTKM-UHFFFAOYSA-N 0 3 241.338 2.126 20 30 BEEDHN C=CCOCCN1CCC(F)(F)C[C@@H]1C ZINC000528766045 388568728 /nfs/dbraw/zinc/56/87/28/388568728.db2.gz CCVVYDMYQUUVSM-JTQLQIEISA-N 0 3 219.275 2.309 20 30 BEEDHN C=CCNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528781889 388572630 /nfs/dbraw/zinc/57/26/30/388572630.db2.gz HMCRDNMSDANQKU-UHFFFAOYSA-N 0 3 242.322 2.340 20 30 BEEDHN C/C=C\C[C@H](CO)NCc1ccc(C#N)s1 ZINC000309957784 388666179 /nfs/dbraw/zinc/66/61/79/388666179.db2.gz JJZDXSXJMICJDL-MXQLGCADSA-N 0 3 236.340 2.036 20 30 BEEDHN COC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000112987564 388671159 /nfs/dbraw/zinc/67/11/59/388671159.db2.gz FKGGIQKDAFNPTL-HNNXBMFYSA-N 0 3 244.338 2.417 20 30 BEEDHN COC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000112989192 388671256 /nfs/dbraw/zinc/67/12/56/388671256.db2.gz TVKOQZCUJFLHDK-HNNXBMFYSA-N 0 3 244.338 2.417 20 30 BEEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCCC ZINC000125818027 388677893 /nfs/dbraw/zinc/67/78/93/388677893.db2.gz YVKAFYCZIKBGCB-ZDUSSCGKSA-N 0 3 238.375 2.307 20 30 BEEDHN C[C@@H](NC[C@H](C)N(C)C)c1ccc(C#N)cc1F ZINC000358576303 388624229 /nfs/dbraw/zinc/62/42/29/388624229.db2.gz TXHZGPRBWPJUCH-WDEREUQCSA-N 0 3 249.333 2.298 20 30 BEEDHN CN(C)CCSc1c(C#N)cccc1C#N ZINC000302905236 388627918 /nfs/dbraw/zinc/62/79/18/388627918.db2.gz VRUQCBXDLWPRQF-UHFFFAOYSA-N 0 3 231.324 2.084 20 30 BEEDHN C[C@@H]1OCC[C@]1(C)NCc1cccc(C#N)c1 ZINC000230154468 388634858 /nfs/dbraw/zinc/63/48/58/388634858.db2.gz WXKHOKJWPCQHTM-FZMZJTMJSA-N 0 3 230.311 2.215 20 30 BEEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)s1 ZINC000230315341 388636416 /nfs/dbraw/zinc/63/64/16/388636416.db2.gz MSSPPXXSMIQVHA-QWHCGFSZSA-N 0 3 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C#CCN(CC)Cc1ccc(C)c(OC)c1 ZINC000774859789 585667981 /nfs/dbraw/zinc/66/79/81/585667981.db2.gz TWOIHMYRLFFDLC-UHFFFAOYSA-N 0 3 217.312 2.459 20 30 BEEDHN C=CCN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000775348738 585676432 /nfs/dbraw/zinc/67/64/32/585676432.db2.gz FNEOSVABLYBYEX-SNVBAGLBSA-N 0 3 230.311 2.042 20 30 BEEDHN C#C[C@H](N[C@@H](C)Cc1cccs1)[C@@H]1CCCO1 ZINC000775571287 585680481 /nfs/dbraw/zinc/68/04/81/585680481.db2.gz DSVDOZOEMLYNBH-UBHSHLNASA-N 0 3 249.379 2.450 20 30 BEEDHN C#C[C@@H](NCCc1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775800468 585685582 /nfs/dbraw/zinc/68/55/82/585685582.db2.gz SGIGFYZDIMQVJI-CVEARBPZSA-N 0 3 243.350 2.308 20 30 BEEDHN C=CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC000776016606 585689135 /nfs/dbraw/zinc/68/91/35/585689135.db2.gz SBLFEYJEPWNKPC-GFCCVEGCSA-N 0 3 238.375 2.332 20 30 BEEDHN N=C(N)NN=C(CC1CCC1)c1ccccc1 ZINC000776185375 585691964 /nfs/dbraw/zinc/69/19/64/585691964.db2.gz IZOXIFHMECVQKD-UHFFFAOYSA-N 0 3 230.315 2.064 20 30 BEEDHN N#Cc1ccnc(SCCN2CCCC2)c1 ZINC000776432485 585698836 /nfs/dbraw/zinc/69/88/36/585698836.db2.gz FWBNYWOIHUQLID-UHFFFAOYSA-N 0 3 233.340 2.141 20 30 BEEDHN N=C(N)N=NC1CC=C(c2ccc(F)cc2)CC1 ZINC000776764936 585703858 /nfs/dbraw/zinc/70/38/58/585703858.db2.gz XFDITXJUVAFOEO-UHFFFAOYSA-N 0 3 246.289 2.232 20 30 BEEDHN CC(CCCC(C)C)=NNC1=N[C@H](C)CN1 ZINC000779792210 585763637 /nfs/dbraw/zinc/76/36/37/585763637.db2.gz QCZKIKQAPPADNH-LLVKDONJSA-N 0 3 224.352 2.126 20 30 BEEDHN CC(=NNC1=N[C@H](C)CN1)[C@@H](C)c1ccccc1 ZINC000779792299 585763858 /nfs/dbraw/zinc/76/38/58/585763858.db2.gz KTABVFKPDPSTCZ-GHMZBOCLSA-N 0 3 244.342 2.103 20 30 BEEDHN C[C@@H]1CNC(NN=C[C@@H]2CCCC(C)(C)C2)=N1 ZINC000779799553 585764597 /nfs/dbraw/zinc/76/45/97/585764597.db2.gz VHMAQDTXTLWYAN-GHMZBOCLSA-N 0 3 236.363 2.126 20 30 BEEDHN C#CCCCN1CCC(C)(c2nc(C)no2)CC1 ZINC000781350050 585795087 /nfs/dbraw/zinc/79/50/87/585795087.db2.gz KBNBSGOIARYAMD-UHFFFAOYSA-N 0 3 247.342 2.145 20 30 BEEDHN C[C@@H](N[C@@H]1CCN(C)C1)c1ccc(C#N)cc1F ZINC000781423028 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N#C[C@@H]1CCC[C@@H](NCc2cccc(CO)c2)C1 ZINC000192834704 347385493 /nfs/dbraw/zinc/38/54/93/347385493.db2.gz JMQIQQJZMNDUGP-IUODEOHRSA-N 0 3 244.338 2.351 20 30 BEEDHN C=CCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000269658096 166259762 /nfs/dbraw/zinc/25/97/62/166259762.db2.gz PIOCAJQCLBROES-UHFFFAOYSA-N 0 3 247.264 2.447 20 30 BEEDHN N#Cc1cccc(CN2CCC[C@H](CO)CC2)c1 ZINC000292988173 347517147 /nfs/dbraw/zinc/51/71/47/347517147.db2.gz BWWJNWIFSUUNSE-ZDUSSCGKSA-N 0 3 244.338 2.153 20 30 BEEDHN Cc1cnccc1CNCC(C)(C)CC#N ZINC000590970452 347597510 /nfs/dbraw/zinc/59/75/10/347597510.db2.gz HMXCAZDNSVSLNK-UHFFFAOYSA-N 0 3 217.316 2.420 20 30 BEEDHN Cc1n[nH]cc1[C@@H](C)NCC(C)(C)CC#N ZINC000591243325 347633381 /nfs/dbraw/zinc/63/33/81/347633381.db2.gz LDTOXZSJMBZDSE-SECBINFHSA-N 0 3 220.320 2.309 20 30 BEEDHN C[C@@H](NCCOCCC#N)c1cccc(C#N)c1 ZINC000590169992 347608893 /nfs/dbraw/zinc/60/88/93/347608893.db2.gz RTUZQVPFLGOSRF-GFCCVEGCSA-N 0 3 243.310 2.139 20 30 BEEDHN N#CC1(CN2CC[C@H](C3CCC3)C2)CC1 ZINC000591063072 347612581 /nfs/dbraw/zinc/61/25/81/347612581.db2.gz ILHNOQJFRPNSCB-LBPRGKRZSA-N 0 3 204.317 2.412 20 30 BEEDHN CC[C@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000591765873 347697795 /nfs/dbraw/zinc/69/77/95/347697795.db2.gz NAYOBACZFPHJTB-NSHDSACASA-N 0 3 238.718 2.072 20 30 BEEDHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000591473473 347667249 /nfs/dbraw/zinc/66/72/49/347667249.db2.gz OXLGKJDWSUYPMM-JLLWLGSASA-N 0 3 248.301 2.119 20 30 BEEDHN CC[C@H](C)C[C@@H](CO)NCc1ccc(C#N)cc1 ZINC000592374347 347771064 /nfs/dbraw/zinc/77/10/64/347771064.db2.gz ARVPJOAKHAMNSH-WFASDCNBSA-N 0 3 246.354 2.445 20 30 BEEDHN C[C@@H](CNCc1nc(C#N)cs1)CC(F)F ZINC000592372709 347771181 /nfs/dbraw/zinc/77/11/81/347771181.db2.gz KSPOBDRQOXQEBQ-SSDOTTSWSA-N 0 3 245.298 2.396 20 30 BEEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(CO)cc2)C1 ZINC000592393224 347775946 /nfs/dbraw/zinc/77/59/46/347775946.db2.gz XIGGXLDGCICSNH-CABCVRRESA-N 0 3 244.338 2.351 20 30 BEEDHN CC[C@H](C)[C@@H](C)NCc1ccncc1C#N ZINC000592104602 347733929 /nfs/dbraw/zinc/73/39/29/347733929.db2.gz NBRIUELXKXOFBG-WDEREUQCSA-N 0 3 217.316 2.477 20 30 BEEDHN N#Cc1cnccc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000592124904 347738091 /nfs/dbraw/zinc/73/80/91/347738091.db2.gz MEMOTAXCXHQDFR-SWHYSGLUSA-N 0 3 227.311 2.231 20 30 BEEDHN CCc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150923 347741763 /nfs/dbraw/zinc/74/17/63/347741763.db2.gz JVHLENRTWWXLAS-HNNXBMFYSA-N 0 3 244.338 2.099 20 30 BEEDHN CCCN(Cc1ccc(C#N)o1)[C@@H]1CCN(C)C1 ZINC000592519949 347794403 /nfs/dbraw/zinc/79/44/03/347794403.db2.gz BLEKEUFVUBDZRA-GFCCVEGCSA-N 0 3 247.342 2.067 20 30 BEEDHN Cc1cc(C#N)ccc1CN(C)[C@@H](C)CCO ZINC000593107769 347859936 /nfs/dbraw/zinc/85/99/36/347859936.db2.gz IMCSLCSPIKWJHS-LBPRGKRZSA-N 0 3 232.327 2.069 20 30 BEEDHN C[C@H](CCC#N)N1CC[C@]2(CC2(F)F)C1 ZINC000593118441 347862764 /nfs/dbraw/zinc/86/27/64/347862764.db2.gz REAKSXDCEHMUSN-ZJUUUORDSA-N 0 3 214.259 2.410 20 30 BEEDHN CCC(C#N)C(=O)N(CCC#N)Cc1ccco1 ZINC000593444065 347892211 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C=C(C)CCN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000419243284 192114003 /nfs/dbraw/zinc/11/40/03/192114003.db2.gz SKXHWICJPACTLB-CQSZACIVSA-N 0 3 246.354 2.372 20 30 BEEDHN CC[C@@H](CC(F)F)CN1CC[C@@](O)(CC#N)C1 ZINC000595557200 348279400 /nfs/dbraw/zinc/27/94/00/348279400.db2.gz IQOCLARZYIAJIQ-JQWIXIFHSA-N 0 3 246.301 2.018 20 30 BEEDHN N#CC[C@H]1CCCN(CCOCC2CC2)C1 ZINC000595613543 348288091 /nfs/dbraw/zinc/28/80/91/348288091.db2.gz FFHSZJDLAXZMAE-GFCCVEGCSA-N 0 3 222.332 2.039 20 30 BEEDHN CC1(C)C[C@H](N2CCC[C@@H](CC#N)C2)CO1 ZINC000595616395 348288880 /nfs/dbraw/zinc/28/88/80/348288880.db2.gz NEXVZYHAZBNNPL-RYUDHWBXSA-N 0 3 222.332 2.180 20 30 BEEDHN COc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1C#N ZINC000595807765 348348748 /nfs/dbraw/zinc/34/87/48/348348748.db2.gz AAVBWLVNVFWSJM-JSGCOSHPSA-N 0 3 242.322 2.409 20 30 BEEDHN C[C@@]12COC[C@@H]1CN(Cc1cccc(C#N)c1)C2 ZINC000595755166 348329370 /nfs/dbraw/zinc/32/93/70/348329370.db2.gz HKVUXAXMGZCGQF-LSDHHAIUSA-N 0 3 242.322 2.027 20 30 BEEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC000595756502 348329993 /nfs/dbraw/zinc/32/99/93/348329993.db2.gz HUSXPCIWDMSRMA-BYCMXARLSA-N 0 3 242.322 2.076 20 30 BEEDHN C[C@@]12COC[C@H]1CN(Cc1ccccc1C#N)C2 ZINC000595756327 348330364 /nfs/dbraw/zinc/33/03/64/348330364.db2.gz TTZWPPMVQWECTO-HUUCEWRRSA-N 0 3 242.322 2.027 20 30 BEEDHN C[C@@]12COC[C@@H]1CN(Cc1ccc(C#N)s1)C2 ZINC000595760640 348332721 /nfs/dbraw/zinc/33/27/21/348332721.db2.gz VDLPUMPZRYPETK-GXFFZTMASA-N 0 3 248.351 2.088 20 30 BEEDHN C[C@]12COC[C@@H]1CN(Cc1ccc(C#N)s1)C2 ZINC000595760639 348333015 /nfs/dbraw/zinc/33/30/15/348333015.db2.gz VDLPUMPZRYPETK-GWCFXTLKSA-N 0 3 248.351 2.088 20 30 BEEDHN Cc1cc(CN2CCC[C@@H]2[C@H](C)O)ccc1C#N ZINC000595767632 348334996 /nfs/dbraw/zinc/33/49/96/348334996.db2.gz ZIAVGVOMNLTWAU-SWLSCSKDSA-N 0 3 244.338 2.212 20 30 BEEDHN C[C@@H](O)[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000595766579 348335139 /nfs/dbraw/zinc/33/51/39/348335139.db2.gz QAGYAIIOYBZCAZ-QMTHXVAHSA-N 0 3 248.301 2.043 20 30 BEEDHN C=C[C@H](CO)NCc1ccccc1C(C)(C)C#N ZINC000595864089 348383608 /nfs/dbraw/zinc/38/36/08/348383608.db2.gz PGTWZNNVQGGHDM-CYBMUJFWSA-N 0 3 244.338 2.124 20 30 BEEDHN COC(C)(C)CCN1CC[C@@](C)(C#N)C1 ZINC000595844756 348353499 /nfs/dbraw/zinc/35/34/99/348353499.db2.gz VLISTJNVKJYWBJ-LBPRGKRZSA-N 0 3 210.321 2.037 20 30 BEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)OC)C1CC1 ZINC000595845971 348355350 /nfs/dbraw/zinc/35/53/50/348355350.db2.gz YLUJDPQRLJPCSE-XQQFMLRXSA-N 0 3 235.327 2.121 20 30 BEEDHN C=C[C@H](CO)NCCSC1CCCCC1 ZINC000595873634 348387219 /nfs/dbraw/zinc/38/72/19/348387219.db2.gz OPUFQNPGXQAPIU-LLVKDONJSA-N 0 3 229.389 2.189 20 30 BEEDHN C#CCN1CCC(C(=O)Nc2ccsc2)CC1 ZINC000265599504 187397272 /nfs/dbraw/zinc/39/72/72/187397272.db2.gz MDKMEHWNALPCQA-UHFFFAOYSA-N 0 3 248.351 2.032 20 30 BEEDHN C[C@H](CCC#N)N(C)CC1=CCSC1 ZINC000595888468 348389145 /nfs/dbraw/zinc/38/91/45/348389145.db2.gz MSPHWNVBKGTQDU-SNVBAGLBSA-N 0 3 210.346 2.284 20 30 BEEDHN C[C@@H](CCC#N)N(C)CC1=CCSC1 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DEQITCUVNDMVLK-ZDUSSCGKSA-N 0 3 235.327 2.284 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccco1 ZINC000449547837 384505201 /nfs/dbraw/zinc/50/52/01/384505201.db2.gz KBFVDLDAVSHTDJ-NEPJUHHUSA-N 0 3 207.273 2.103 20 30 BEEDHN C=CCCCCCN(C)[C@H](C)C(=O)NCC=C ZINC000150886667 384518541 /nfs/dbraw/zinc/51/85/41/384518541.db2.gz WNZVIMITWVYNCF-CYBMUJFWSA-N 0 3 238.375 2.355 20 30 BEEDHN C[C@@H](NCc1ccccc1C#N)C1CCOCC1 ZINC000179095759 384520806 /nfs/dbraw/zinc/52/08/06/384520806.db2.gz GJJOGVSTDONDJY-GFCCVEGCSA-N 0 3 244.338 2.463 20 30 BEEDHN C#C[C@@H](NC[C@H](O)c1ccccc1F)C(C)C ZINC000309985170 384545649 /nfs/dbraw/zinc/54/56/49/384545649.db2.gz ITPNDCBAWUKATK-KGLIPLIRSA-N 0 3 235.302 2.107 20 30 BEEDHN C[C@H](CC(=O)OC(C)(C)C)NCCCC#N ZINC000309755190 384581310 /nfs/dbraw/zinc/58/13/10/384581310.db2.gz LHVUDHYSMCLNRS-SNVBAGLBSA-N 0 3 226.320 2.000 20 30 BEEDHN C=CCOc1cccc(CN2CCC(O)CC2)c1 ZINC000162250831 384593483 /nfs/dbraw/zinc/59/34/83/384593483.db2.gz OUQBMJNDUINDQN-UHFFFAOYSA-N 0 3 247.338 2.208 20 30 BEEDHN C=C(CC)CN[C@@H](CO)c1ccc(F)cc1 ZINC000309643589 384680244 /nfs/dbraw/zinc/68/02/44/384680244.db2.gz VGSYWVUAHFFPTA-ZDUSSCGKSA-N 0 3 223.291 2.415 20 30 BEEDHN COCC[C@H](NCC1(C#N)CC1)C(C)(C)C ZINC000309981793 384757863 /nfs/dbraw/zinc/75/78/63/384757863.db2.gz WJZUSJIUTYIIAR-NSHDSACASA-N 0 3 224.348 2.331 20 30 BEEDHN CC[C@@H](CNCc1ccc(C#N)o1)N1CCCC1 ZINC000174264092 384772005 /nfs/dbraw/zinc/77/20/05/384772005.db2.gz PXVVKLFRFMUZTB-LBPRGKRZSA-N 0 3 247.342 2.115 20 30 BEEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000051628725 384823435 /nfs/dbraw/zinc/82/34/35/384823435.db2.gz ZFHYYEOCUVRDCX-ZYHUDNBSSA-N 0 3 216.284 2.414 20 30 BEEDHN C=CCC(C)(C)CNCc1cn2cccnc2n1 ZINC000297496261 384831282 /nfs/dbraw/zinc/83/12/82/384831282.db2.gz UOCSSZGWNRILPN-UHFFFAOYSA-N 0 3 244.342 2.421 20 30 BEEDHN COC[C@@H](NCc1ccc(C#N)cc1)C1CC1 ZINC000126366717 384796256 /nfs/dbraw/zinc/79/62/56/384796256.db2.gz GMHNMUGEJXLNPZ-CQSZACIVSA-N 0 3 230.311 2.073 20 30 BEEDHN CC(C)[C@H]1CCCCN1C(=O)C(C)C#N ZINC000336043733 384851938 /nfs/dbraw/zinc/85/19/38/384851938.db2.gz IKMLBIQLSUPRAS-WDEREUQCSA-N 0 3 208.305 2.183 20 30 BEEDHN C=CCN1CC[C@@H](N(C)[C@H](C)C(C)(C)C)C1=O ZINC000518273807 384889404 /nfs/dbraw/zinc/88/94/04/384889404.db2.gz JQICCBKOLUECLL-VXGBXAGGSA-N 0 3 238.375 2.140 20 30 BEEDHN N#CCC[C@@H](C#N)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000095410975 384902093 /nfs/dbraw/zinc/90/20/93/384902093.db2.gz BFIPNKRSFRHIPX-RWMBFGLXSA-N 0 3 217.316 2.162 20 30 BEEDHN C[C@H](CC1CC1)NCc1ccc(C#N)o1 ZINC000135485730 384902798 /nfs/dbraw/zinc/90/27/98/384902798.db2.gz MSKPFZCJRBXPOI-SECBINFHSA-N 0 3 204.273 2.429 20 30 BEEDHN C#CCN(CC)CCOc1ccccc1OC ZINC000491463294 384927756 /nfs/dbraw/zinc/92/77/56/384927756.db2.gz MIFZWVPTEPTIHD-UHFFFAOYSA-N 0 3 233.311 2.029 20 30 BEEDHN CN(CCC1CCOCC1)CC(C)(C)C#N ZINC000258910292 384944776 /nfs/dbraw/zinc/94/47/76/384944776.db2.gz MAIKMZBCJQDILY-UHFFFAOYSA-N 0 3 224.348 2.285 20 30 BEEDHN CC#CCCN(C)[C@H]1CCCc2c1cnn2C ZINC000156824474 384986545 /nfs/dbraw/zinc/98/65/45/384986545.db2.gz ZONJCHOUGCKEIL-ZDUSSCGKSA-N 0 3 231.343 2.143 20 30 BEEDHN CC[C@H](COC)NCc1ccc(C#N)s1 ZINC000135501490 384988029 /nfs/dbraw/zinc/98/80/29/384988029.db2.gz FDCRPVXGYCCARS-SECBINFHSA-N 0 3 224.329 2.134 20 30 BEEDHN C=CCC[C@H](CO)NCc1ccc(C)cc1OC ZINC000449702312 384993683 /nfs/dbraw/zinc/99/36/83/384993683.db2.gz YMBQUWQRQNILFC-CQSZACIVSA-N 0 3 249.354 2.420 20 30 BEEDHN N#C[C@@H]1CC[C@H](NC2CC(F)(F)C2)C1 ZINC000306496232 385000658 /nfs/dbraw/zinc/00/06/58/385000658.db2.gz DEKZIEPLMBLMDQ-SFYZADRCSA-N 0 3 200.232 2.066 20 30 BEEDHN COCC1(CCNC[C@@H](C#N)CCC#N)CCC1 ZINC000569352519 385024002 /nfs/dbraw/zinc/02/40/02/385024002.db2.gz SQWPHPPPMAXNGR-CYBMUJFWSA-N 0 3 249.358 2.226 20 30 BEEDHN COc1cc(CN(C)C[C@H](C)OC)ccc1C#N ZINC000289738003 385122336 /nfs/dbraw/zinc/12/23/36/385122336.db2.gz QAVBUWATADKOLW-NSHDSACASA-N 0 3 248.326 2.034 20 30 BEEDHN C[C@H]1[C@@H](O)CCCN1Cc1ccc(CC#N)cc1 ZINC000336254963 385103009 /nfs/dbraw/zinc/10/30/09/385103009.db2.gz KKQFLRUWMZTMSA-WFASDCNBSA-N 0 3 244.338 2.098 20 30 BEEDHN CO[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1C ZINC000189267249 385142906 /nfs/dbraw/zinc/14/29/06/385142906.db2.gz TZYSBNSXIPBMAX-DOMZBBRYSA-N 0 3 244.338 2.415 20 30 BEEDHN C#CCSCCNCc1ccc(C#N)cc1F ZINC000227597945 385164625 /nfs/dbraw/zinc/16/46/25/385164625.db2.gz JQSOBAQPETXFHI-UHFFFAOYSA-N 0 3 248.326 2.153 20 30 BEEDHN CC#CCN[C@@H](c1cccnc1)C1CC1 ZINC000308844811 385206579 /nfs/dbraw/zinc/20/65/79/385206579.db2.gz LSYOCCRNENFCOB-CYBMUJFWSA-N 0 3 200.285 2.146 20 30 BEEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000280436185 385205078 /nfs/dbraw/zinc/20/50/78/385205078.db2.gz JYKWQIHKOZSQMY-RYUDHWBXSA-N 0 3 248.326 2.277 20 30 BEEDHN C#CCN(C)[C@H]1CCCN(c2ccccc2)C1 ZINC000177791331 533112998 /nfs/dbraw/zinc/11/29/98/533112998.db2.gz TWQUIKXIHRNRMN-HNNXBMFYSA-N 0 3 228.339 2.220 20 30 BEEDHN CC(C#N)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000510016081 533113161 /nfs/dbraw/zinc/11/31/61/533113161.db2.gz XYDCFKRIAFSILX-DRZSPHRISA-N 0 3 228.295 2.066 20 30 BEEDHN C#C[C@H](C)N(C)CCCC(=O)OC(C)(C)C ZINC000491325949 385350318 /nfs/dbraw/zinc/35/03/18/385350318.db2.gz IJNIZIZUJNRFRN-NSHDSACASA-N 0 3 225.332 2.062 20 30 BEEDHN C[C@@H](CCC#N)N1CCc2ccc(O)cc2CC1 ZINC000591017630 385549100 /nfs/dbraw/zinc/54/91/00/385549100.db2.gz IUHXVNMBMBVRHS-LBPRGKRZSA-N 0 3 244.338 2.485 20 30 BEEDHN CCCC(C)(C)NC(=O)[C@@H](N)CCCCC#N ZINC000594440132 385601363 /nfs/dbraw/zinc/60/13/63/385601363.db2.gz UPCZFAFRHUGJHZ-NSHDSACASA-N 0 3 239.363 2.093 20 30 BEEDHN CC[C@H](CNCc1cc(C#N)cs1)OC ZINC000336678737 385618827 /nfs/dbraw/zinc/61/88/27/385618827.db2.gz IFZDWRAGCXVNGB-SNVBAGLBSA-N 0 3 224.329 2.134 20 30 BEEDHN CC[C@H](C)N(CC)C(=O)[C@H](N)CCCCC#N ZINC000595250474 385622116 /nfs/dbraw/zinc/62/21/16/385622116.db2.gz NMHXFJVFSFKIOQ-NWDGAFQWSA-N 0 3 239.363 2.045 20 30 BEEDHN C#C[C@@H](NC[C@H](O)c1cccc(F)c1)C(C)C ZINC000302401290 385635214 /nfs/dbraw/zinc/63/52/14/385635214.db2.gz RQYGHXSBTNUIJK-KGLIPLIRSA-N 0 3 235.302 2.107 20 30 BEEDHN N#Cc1csc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000253295406 385668075 /nfs/dbraw/zinc/66/80/75/385668075.db2.gz QUIUZOGEFSPADT-XQQFMLRXSA-N 0 3 248.351 2.277 20 30 BEEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1 ZINC000186696012 385782387 /nfs/dbraw/zinc/78/23/87/385782387.db2.gz ONRAJAFOBKTWPF-FZMZJTMJSA-N 0 3 230.311 2.146 20 30 BEEDHN C=CC[C@@H](CO)N[C@H](C)c1ccsc1 ZINC000186706163 385784080 /nfs/dbraw/zinc/78/40/80/385784080.db2.gz PSPNZVWFOKBWME-KOLCDFICSA-N 0 3 211.330 2.336 20 30 BEEDHN C=CC[C@H](CO)N[C@H](C)c1ccsc1 ZINC000186706197 385784353 /nfs/dbraw/zinc/78/43/53/385784353.db2.gz PSPNZVWFOKBWME-MWLCHTKSSA-N 0 3 211.330 2.336 20 30 BEEDHN COc1cc(C#N)ccc1CN(C)CC1CC1 ZINC000120664680 385816159 /nfs/dbraw/zinc/81/61/59/385816159.db2.gz JHQKLKRFIOUQQR-UHFFFAOYSA-N 0 3 230.311 2.409 20 30 BEEDHN C=CCC[C@H](CO)NCc1cc(F)cc(F)c1 ZINC000320250004 385819535 /nfs/dbraw/zinc/81/95/35/385819535.db2.gz IBBJRUPMXAKJEH-CYBMUJFWSA-N 0 3 241.281 2.382 20 30 BEEDHN CO[C@H](C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000182433729 385862463 /nfs/dbraw/zinc/86/24/63/385862463.db2.gz REJLPFADWSMUKL-MNOVXSKESA-N 0 3 218.300 2.244 20 30 BEEDHN C#CCN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120666687 533150078 /nfs/dbraw/zinc/15/00/78/533150078.db2.gz BRRQAHGKVKRLOV-UHFFFAOYSA-N 0 3 239.322 2.376 20 30 BEEDHN C#CCN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000294647812 385878399 /nfs/dbraw/zinc/87/83/99/385878399.db2.gz QJOZSYOWCNFBNP-UHFFFAOYSA-N 0 3 216.328 2.126 20 30 BEEDHN COCC#CCN1CC[C@@H](C2CCCC2)C1 ZINC000643254527 385987385 /nfs/dbraw/zinc/98/73/85/385987385.db2.gz NXMDXFHOZJJPGR-CQSZACIVSA-N 0 3 221.344 2.148 20 30 BEEDHN C=CC(C)(C)CN[C@H](C)c1ccn(C)n1 ZINC000414143977 385991949 /nfs/dbraw/zinc/99/19/49/385991949.db2.gz JEWLPDRKFKMZLL-SNVBAGLBSA-N 0 3 207.321 2.283 20 30 BEEDHN CC(C#N)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000335051219 385949640 /nfs/dbraw/zinc/94/96/40/385949640.db2.gz XQOFGANDIOLMRF-IUCAKERBSA-N 0 3 230.258 2.088 20 30 BEEDHN C=CCCCN(C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425402608 385965455 /nfs/dbraw/zinc/96/54/55/385965455.db2.gz IWECDVLWKXUPLY-GFCCVEGCSA-N 0 3 238.375 2.284 20 30 BEEDHN C[C@H](NCC(C)(C)CCC#N)c1ccn(C)n1 ZINC000414122139 385971989 /nfs/dbraw/zinc/97/19/89/385971989.db2.gz AWYSQPGBTUEJII-NSHDSACASA-N 0 3 234.347 2.401 20 30 BEEDHN CC[C@@H](C)N1CCN(Cc2ccc(C#N)o2)CC1 ZINC000295358051 386016849 /nfs/dbraw/zinc/01/68/49/386016849.db2.gz ZFZBMNQUTZJORN-GFCCVEGCSA-N 0 3 247.342 2.067 20 30 BEEDHN C=CCC[C@@H](C)NCc1ccn(CC)n1 ZINC000414204289 386040170 /nfs/dbraw/zinc/04/01/70/386040170.db2.gz FVBSKPYBIMBMGK-LLVKDONJSA-N 0 3 207.321 2.347 20 30 BEEDHN C=C1CCN(C(=O)[C@@H](CC)N(CC)CC)CC1 ZINC000345266687 386087154 /nfs/dbraw/zinc/08/71/54/386087154.db2.gz WICTUOHIJJDSDF-CYBMUJFWSA-N 0 3 238.375 2.285 20 30 BEEDHN CC(C#N)C(=O)N1CCC(CC(F)(F)F)CC1 ZINC000334458061 386096753 /nfs/dbraw/zinc/09/67/53/386096753.db2.gz QOAZIBYCPFWQLW-QMMMGPOBSA-N 0 3 248.248 2.337 20 30 BEEDHN C=CC[C@H](C)NCc1cc(C(=O)OC)c(C)o1 ZINC000164698014 386157257 /nfs/dbraw/zinc/15/72/57/386157257.db2.gz MMESSIUOUKTDIQ-VIFPVBQESA-N 0 3 237.299 2.429 20 30 BEEDHN C=C(CC)CNC(=O)Nc1ccccc1CNC ZINC000415903237 386158738 /nfs/dbraw/zinc/15/87/38/386158738.db2.gz QABKHCXTNYSNOI-UHFFFAOYSA-N 0 3 247.342 2.494 20 30 BEEDHN C=C(C)CNC(=O)Nc1cccc(CNC)c1 ZINC000415968189 386171047 /nfs/dbraw/zinc/17/10/47/386171047.db2.gz XLUAFVHFBCNVBF-UHFFFAOYSA-N 0 3 233.315 2.104 20 30 BEEDHN COc1cccc([C@@H](C)NC(=O)C(C)C#N)c1 ZINC000347071586 386215164 /nfs/dbraw/zinc/21/51/64/386215164.db2.gz OSXAFDODUDDURD-VHSXEESVSA-N 0 3 232.283 2.032 20 30 BEEDHN CCC(CC)[C@H](O)CNCc1ccc(C#N)cc1 ZINC000225815536 386219268 /nfs/dbraw/zinc/21/92/68/386219268.db2.gz CJMWGGTZZWHXPH-OAHLLOKOSA-N 0 3 246.354 2.445 20 30 BEEDHN CC(C#N)C(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000347031153 386222855 /nfs/dbraw/zinc/22/28/55/386222855.db2.gz DWBRBMWCAKOWLA-NXEZZACHSA-N 0 3 234.274 2.205 20 30 BEEDHN Cc1ccccc1C[C@H](C)NC(=O)C(C)C#N ZINC000347037103 386225831 /nfs/dbraw/zinc/22/58/31/386225831.db2.gz NECCUIXKPJHSKG-RYUDHWBXSA-N 0 3 230.311 2.202 20 30 BEEDHN Cc1ccc(CCNC(=O)C(C)C#N)c(C)c1 ZINC000347042921 386229248 /nfs/dbraw/zinc/22/92/48/386229248.db2.gz VSVYBZOGQPNQJQ-GFCCVEGCSA-N 0 3 230.311 2.122 20 30 BEEDHN C=CCOc1ccccc1CNC(=O)C(C)C#N ZINC000347118470 386233860 /nfs/dbraw/zinc/23/38/60/386233860.db2.gz VRRVGQFTLJJNEW-NSHDSACASA-N 0 3 244.294 2.027 20 30 BEEDHN CCc1nc([C@H](C)NC(=O)C(C)C#N)cs1 ZINC000347121968 386234303 /nfs/dbraw/zinc/23/43/03/386234303.db2.gz ZTVGILWVAYQCIR-YUMQZZPRSA-N 0 3 237.328 2.042 20 30 BEEDHN CC(C#N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000347126118 386237986 /nfs/dbraw/zinc/23/79/86/386237986.db2.gz WIDUWKGOZFQVJD-RISCZKNCSA-N 0 3 242.322 2.284 20 30 BEEDHN C=C(C)CNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416209405 386242569 /nfs/dbraw/zinc/24/25/69/386242569.db2.gz KINIZHNMJAWXDT-AWEZNQCLSA-N 0 3 246.354 2.372 20 30 BEEDHN CC(C#N)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000347103683 386251428 /nfs/dbraw/zinc/25/14/28/386251428.db2.gz AECOSIBSRLGWAZ-NWDGAFQWSA-N 0 3 230.311 2.408 20 30 BEEDHN C=CCN(CC=C)C[C@H](O)CCC(C)C ZINC000280373204 386346689 /nfs/dbraw/zinc/34/66/89/386346689.db2.gz UYKNTQJGRBNUMO-CYBMUJFWSA-N 0 3 211.349 2.458 20 30 BEEDHN Cc1nc(CCNCc2ccc(C#N)o2)cs1 ZINC000230640448 386349979 /nfs/dbraw/zinc/34/99/79/386349979.db2.gz VVPLTIBFHUBDLQ-UHFFFAOYSA-N 0 3 247.323 2.249 20 30 BEEDHN CC(C#N)C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000335276113 386337634 /nfs/dbraw/zinc/33/76/34/386337634.db2.gz ICJPUCKCCKJXRP-MNOVXSKESA-N 0 3 222.332 2.431 20 30 BEEDHN CC(C#N)C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000335276114 386338975 /nfs/dbraw/zinc/33/89/75/386338975.db2.gz ICJPUCKCCKJXRP-QWRGUYRKSA-N 0 3 222.332 2.431 20 30 BEEDHN C=CCC[C@H](CO)N[C@H](C)c1cncc(C)c1 ZINC000453335942 386445674 /nfs/dbraw/zinc/44/56/74/386445674.db2.gz AOHLTHHJUSMCKB-TZMCWYRMSA-N 0 3 234.343 2.368 20 30 BEEDHN CC(C#N)C(=O)NC1CCC(C(F)F)CC1 ZINC000334498494 386403912 /nfs/dbraw/zinc/40/39/12/386403912.db2.gz LHARHMGFDREKSW-AFPNSQJFSA-N 0 3 230.258 2.086 20 30 BEEDHN C=CC[C@H](CC)NCc1cc(C)n(C)n1 ZINC000414429632 386417233 /nfs/dbraw/zinc/41/72/33/386417233.db2.gz CLFOBZWYDZJWBT-NSHDSACASA-N 0 3 207.321 2.173 20 30 BEEDHN C=CCC[C@H](CO)NCc1ccc(F)cc1 ZINC000320096613 386484669 /nfs/dbraw/zinc/48/46/69/386484669.db2.gz ASZTUAXNXDOOGO-CYBMUJFWSA-N 0 3 223.291 2.242 20 30 BEEDHN CO[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000267713730 386488632 /nfs/dbraw/zinc/48/86/32/386488632.db2.gz XERKEMJCVOZRKN-FZMZJTMJSA-N 0 3 230.311 2.340 20 30 BEEDHN CC[C@@](C)(CNCc1ccc(C#N)o1)OC ZINC000322747428 386495421 /nfs/dbraw/zinc/49/54/21/386495421.db2.gz BQEBRWYEXIICAH-LBPRGKRZSA-N 0 3 222.288 2.056 20 30 BEEDHN CC[C@](C)(CNCc1ccc(C#N)o1)OC ZINC000322746582 386496566 /nfs/dbraw/zinc/49/65/66/386496566.db2.gz BQEBRWYEXIICAH-GFCCVEGCSA-N 0 3 222.288 2.056 20 30 BEEDHN C=C(C)CN(CCN(C)C)Cc1ccccn1 ZINC000519605098 386502485 /nfs/dbraw/zinc/50/24/85/386502485.db2.gz IRMIXPAFLPFJTR-UHFFFAOYSA-N 0 3 233.359 2.021 20 30 BEEDHN C(#Cc1ccccc1)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000335424856 386601875 /nfs/dbraw/zinc/60/18/75/386601875.db2.gz UDFNDZAOEZDBJG-CVEARBPZSA-N 0 3 241.334 2.149 20 30 BEEDHN C#CCN(C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000034873321 386609434 /nfs/dbraw/zinc/60/94/34/386609434.db2.gz KFYDBROQPJKCSA-NSHDSACASA-N 0 3 232.283 2.091 20 30 in-vitro BEEDHN CN(CCCF)Cc1cccc(C#N)c1 ZINC000128824187 386617250 /nfs/dbraw/zinc/61/72/50/386617250.db2.gz YHUAVMVRSLKFIB-UHFFFAOYSA-N 0 3 206.264 2.350 20 30 BEEDHN C=C(C)CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000428124793 386664051 /nfs/dbraw/zinc/66/40/51/386664051.db2.gz IBIUTSBNSMUUBG-CYBMUJFWSA-N 0 3 238.375 2.189 20 30 BEEDHN C=C(C)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000428124794 386664578 /nfs/dbraw/zinc/66/45/78/386664578.db2.gz IBIUTSBNSMUUBG-ZDUSSCGKSA-N 0 3 238.375 2.189 20 30 BEEDHN C=CCOCCN1CCC[C@H]1c1cn(C)nc1C ZINC000645091815 386718099 /nfs/dbraw/zinc/71/80/99/386718099.db2.gz 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C=CCN(CCc1ccccc1)C[C@@H](O)CC ZINC000264416997 166343521 /nfs/dbraw/zinc/34/35/21/166343521.db2.gz HPQSAOPXOYOLIO-HNNXBMFYSA-N 0 3 233.355 2.488 20 30 BEEDHN C=CCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277947273 166353425 /nfs/dbraw/zinc/35/34/25/166353425.db2.gz ZTQWXFFLOVKCTM-UHFFFAOYSA-N 0 3 245.366 2.490 20 30 BEEDHN C=CCN1CCC(Nc2nc(C)cc(C)n2)CC1 ZINC000266182829 166353643 /nfs/dbraw/zinc/35/36/43/166353643.db2.gz ATDZLTCLTBRZOB-UHFFFAOYSA-N 0 3 246.358 2.156 20 30 BEEDHN C=CCN1CCC(O)(Cc2ccccc2F)CC1 ZINC000365854798 166354094 /nfs/dbraw/zinc/35/40/94/166354094.db2.gz GJFFEFZYPQAHPB-UHFFFAOYSA-N 0 3 249.329 2.381 20 30 BEEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1 ZINC000020311968 166389223 /nfs/dbraw/zinc/38/92/23/166389223.db2.gz IFGPBASSHDIOBI-RYUDHWBXSA-N 0 3 232.327 2.028 20 30 BEEDHN C=CC[C@@H]1CCCN(Cc2c[nH]cn2)C1 ZINC000661387806 410605397 /nfs/dbraw/zinc/60/53/97/410605397.db2.gz ZSFLZEHEJQRBAN-LLVKDONJSA-N 0 3 205.305 2.198 20 30 BEEDHN C=CC[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000661387806 410605399 /nfs/dbraw/zinc/60/53/99/410605399.db2.gz ZSFLZEHEJQRBAN-LLVKDONJSA-N 0 3 205.305 2.198 20 30 BEEDHN C=CCOCCNCc1sccc1C ZINC000053560697 487618343 /nfs/dbraw/zinc/61/83/43/487618343.db2.gz PQKUMDPCPSXHBD-UHFFFAOYSA-N 0 3 211.330 2.349 20 30 BEEDHN CC(C)CNCc1ccc(C#N)cc1F ZINC000020036838 167007446 /nfs/dbraw/zinc/00/74/46/167007446.db2.gz IXGBWZNILGEUMX-UHFFFAOYSA-N 0 3 206.264 2.443 20 30 BEEDHN CC(C)OC[C@H](C)NCc1cccc(C#N)c1 ZINC000337333472 167266559 /nfs/dbraw/zinc/26/65/59/167266559.db2.gz JREMKMNJTPJDGO-LBPRGKRZSA-N 0 3 232.327 2.461 20 30 BEEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2nncn2C)C1 ZINC000651704740 411137590 /nfs/dbraw/zinc/13/75/90/411137590.db2.gz WHTCRYCTNPWVDT-TUAOUCFPSA-N 0 3 234.347 2.211 20 30 BEEDHN C=CC[C@H](C)NCc1cnnn1-c1ccccc1 ZINC000651713106 411138202 /nfs/dbraw/zinc/13/82/02/411138202.db2.gz CHNXFFYUJAZCIV-LBPRGKRZSA-N 0 3 242.326 2.322 20 30 BEEDHN C=CC[C@H]1CC[C@@H](NCc2nnc(CC)[nH]2)C1 ZINC000651818472 411145368 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236.359 2.086 20 30 BEEDHN C(#Cc1ccccc1)CN1CC[C@H]2C[C@H]2C1 ZINC000661968611 411337045 /nfs/dbraw/zinc/33/70/45/411337045.db2.gz ZJBADUWPLWGYQY-GJZGRUSLSA-N 0 3 211.308 2.380 20 30 BEEDHN C=C[C@H](CO)N[C@H]1CCc2cc(C)cc(C)c21 ZINC000658334305 411342167 /nfs/dbraw/zinc/34/21/67/411342167.db2.gz IJNNYKFMOXLHDR-KGLIPLIRSA-N 0 3 231.339 2.427 20 30 BEEDHN C=C[C@H](CO)N[C@@H]1CCc2cc(C)cc(C)c21 ZINC000658334306 411342474 /nfs/dbraw/zinc/34/24/74/411342474.db2.gz IJNNYKFMOXLHDR-ZIAGYGMSSA-N 0 3 231.339 2.427 20 30 BEEDHN CC1(CNCc2ccc(C#N)o2)CCC1 ZINC000165475137 168041835 /nfs/dbraw/zinc/04/18/35/168041835.db2.gz QFPYNSIXJDYKFM-UHFFFAOYSA-N 0 3 204.273 2.431 20 30 BEEDHN CC1(CO)CCN(Cc2cccc(C#N)c2)CC1 ZINC000186934904 168050969 /nfs/dbraw/zinc/05/09/69/168050969.db2.gz GQEMCXGBELYIFC-UHFFFAOYSA-N 0 3 244.338 2.153 20 30 BEEDHN C=CC[C@H](C)N[C@@H]1CCCn2ccnc21 ZINC000655731145 411376732 /nfs/dbraw/zinc/37/67/32/411376732.db2.gz VJYKEIQFWMYXEC-WDEREUQCSA-N 0 3 205.305 2.272 20 30 BEEDHN CCC#C[C@H](C)N1CC[C@@H](c2nccn2C)C1 ZINC000653590466 411425344 /nfs/dbraw/zinc/42/53/44/411425344.db2.gz CLYHZMBMISUEEO-QWHCGFSZSA-N 0 3 231.343 2.011 20 30 BEEDHN CN(CCCO)Cc1ccccc1C(C)(C)C#N ZINC000281832522 411454220 /nfs/dbraw/zinc/45/42/20/411454220.db2.gz MLHBXBOMLQFYQA-UHFFFAOYSA-N 0 3 246.354 2.302 20 30 BEEDHN C=CC[C@H](C)NCc1ccnn1CC1CC1 ZINC000657364192 411481440 /nfs/dbraw/zinc/48/14/40/411481440.db2.gz WBTXSTIPNBQRLT-NSHDSACASA-N 0 3 219.332 2.347 20 30 BEEDHN C=CCCCCNCc1cn(CCC=C)nn1 ZINC000657438863 411510536 /nfs/dbraw/zinc/51/05/36/411510536.db2.gz QAGFNIORDNQCDU-UHFFFAOYSA-N 0 3 234.347 2.300 20 30 BEEDHN C=CCCCNCc1cn(C2CCC2)nn1 ZINC000657453816 411514939 /nfs/dbraw/zinc/51/49/39/411514939.db2.gz CVBYJCRBFKUIAD-UHFFFAOYSA-N 0 3 220.320 2.059 20 30 BEEDHN C=CCCn1cc(CN[C@@H](CC)CC=C)nn1 ZINC000657455362 411516200 /nfs/dbraw/zinc/51/62/00/411516200.db2.gz IMDIZBDDVHZICU-LBPRGKRZSA-N 0 3 234.347 2.299 20 30 BEEDHN C=C(C)CNCc1cc(C(F)(F)F)nn1C ZINC000657463947 411518336 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C=CCCN[C@@H](c1cccnc1)C(C)(C)CO ZINC000660639466 411610826 /nfs/dbraw/zinc/61/08/26/411610826.db2.gz RGPJUTXRWHBKOJ-ZDUSSCGKSA-N 0 3 234.343 2.307 20 30 BEEDHN C=CCN(CCCC(=O)CC)[C@@H](C)COC ZINC000661241528 411735781 /nfs/dbraw/zinc/73/57/81/411735781.db2.gz ZWHHEZDAWNVQGC-LBPRGKRZSA-N 0 3 227.348 2.269 20 30 BEEDHN C=CCN(CC(=O)N[C@@H](C)C(C)C)C(C)(C)C ZINC000661755205 411866480 /nfs/dbraw/zinc/86/64/80/411866480.db2.gz IZRVFPINFRXIAZ-LBPRGKRZSA-N 0 3 240.391 2.434 20 30 BEEDHN C=CCN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664266 411833087 /nfs/dbraw/zinc/83/30/87/411833087.db2.gz ZCEBLMOKTDYQFJ-LSDHHAIUSA-N 0 3 231.339 2.270 20 30 BEEDHN C=CCN1CC[C@H](N(C)c2ccccc2)C1 ZINC000662015923 411941838 /nfs/dbraw/zinc/94/18/38/411941838.db2.gz BXAORNDDNJRZNB-AWEZNQCLSA-N 0 3 216.328 2.383 20 30 BEEDHN C=CCCC(=O)Nc1cccc2c1CCNC2 ZINC000132316501 411898214 /nfs/dbraw/zinc/89/82/14/411898214.db2.gz IZRMHGHRKOVRNQ-UHFFFAOYSA-N 0 3 230.311 2.237 20 30 BEEDHN CC#CCN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661873784 411912892 /nfs/dbraw/zinc/91/28/92/411912892.db2.gz GJWFLHKUKBRWFY-KBPBESRZSA-N 0 3 221.344 2.291 20 30 BEEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1n[nH]c(C)n1 ZINC000662089416 411983413 /nfs/dbraw/zinc/98/34/13/411983413.db2.gz XZQCNMJCBIZENV-JLLWLGSASA-N 0 3 232.331 2.357 20 30 BEEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC000662090406 411985483 /nfs/dbraw/zinc/98/54/83/411985483.db2.gz OMDSIVCLRGJWSQ-TXEJJXNPSA-N 0 3 203.289 2.093 20 30 BEEDHN C=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)CC(F)(F)F ZINC000662091272 411986303 /nfs/dbraw/zinc/98/63/03/411986303.db2.gz VXVQMISEYCMUTC-AXFHLTTASA-N 0 3 249.276 2.483 20 30 BEEDHN C=C[C@H](CO)NCCCOc1cc(C)cc(C)c1 ZINC000662167784 412015599 /nfs/dbraw/zinc/01/55/99/412015599.db2.gz PTQHVPVLIPKMRH-CQSZACIVSA-N 0 3 249.354 2.209 20 30 BEEDHN COCC#CCN1CCC[C@@H](C2CCC2)C1 ZINC000662043353 411960662 /nfs/dbraw/zinc/96/06/62/411960662.db2.gz JKXVTRNWKUQVHZ-CQSZACIVSA-N 0 3 221.344 2.148 20 30 BEEDHN C=CCCN1Cc2cnn(C)c2CC(C)(C)C1 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C=CC[C@@H]1CCCC[C@H]1NCc1nccc(N)n1 ZINC000661115925 488042471 /nfs/dbraw/zinc/04/24/71/488042471.db2.gz VKSTZFPQNGJWQP-VXGBXAGGSA-N 0 3 246.358 2.283 20 30 BEEDHN C=C(C)[C@@H](CO)N(C)CCc1ccc(F)cc1 ZINC000677478116 488048209 /nfs/dbraw/zinc/04/82/09/488048209.db2.gz NTXVIWGHPISKJV-CQSZACIVSA-N 0 3 237.318 2.237 20 30 BEEDHN C=C(C)[C@H](CO)N1CC[C@@H](Nc2ccccc2)C1 ZINC000677479534 488049696 /nfs/dbraw/zinc/04/96/96/488049696.db2.gz OPMQDLLYQCOZDH-CABCVRRESA-N 0 3 246.354 2.110 20 30 BEEDHN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CCOC1 ZINC000154591394 488080698 /nfs/dbraw/zinc/08/06/98/488080698.db2.gz LWRHPGBDNHYUNT-AWEZNQCLSA-N 0 3 247.313 2.146 20 30 BEEDHN C=CCC[C@H](CO)N[C@H]1CCCc2cccnc21 ZINC000320261049 488093765 /nfs/dbraw/zinc/09/37/65/488093765.db2.gz JXRVIAVOWVLCFI-KGLIPLIRSA-N 0 3 246.354 2.376 20 30 BEEDHN CC[C@]1(NCC#Cc2ccc(F)cc2)CCOC1 ZINC000683040756 488103154 /nfs/dbraw/zinc/10/31/54/488103154.db2.gz DDVKTCGKFLUGNU-HNNXBMFYSA-N 0 3 247.313 2.336 20 30 BEEDHN C=CC(C)(C)CNC(=O)Nc1cccc(CN)c1 ZINC000667733660 488103437 /nfs/dbraw/zinc/10/34/37/488103437.db2.gz LWYYKNRBFNNDBN-UHFFFAOYSA-N 0 3 247.342 2.479 20 30 BEEDHN COCC#CCN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000680107144 487537362 /nfs/dbraw/zinc/53/73/62/487537362.db2.gz FZQNPUQSNNJZHY-MRXNPFEDSA-N 0 3 243.350 2.434 20 30 BEEDHN C(#Cc1ccccc1)CN1CC[C@@H]2COC[C@H]2C1 ZINC000662029866 488113739 /nfs/dbraw/zinc/11/37/39/488113739.db2.gz CHWSGKFAHIDNOE-HZPDHXFCSA-N 0 3 241.334 2.006 20 30 BEEDHN C=CCOc1ccc(CNC2([C@@H](C)O)CC2)cc1 ZINC000668696407 488126079 /nfs/dbraw/zinc/12/60/79/488126079.db2.gz OZQQNAMIIAXUKD-GFCCVEGCSA-N 0 3 247.338 2.254 20 30 BEEDHN C=C(C)[C@H](CO)N(C)C[C@@H](C)c1nccs1 ZINC000680130380 487538855 /nfs/dbraw/zinc/53/88/55/487538855.db2.gz GSJVUPYGUJOVCY-MNOVXSKESA-N 0 3 240.372 2.115 20 30 BEEDHN C=CCCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000161968394 487531480 /nfs/dbraw/zinc/53/14/80/487531480.db2.gz JHTARLCOBPKXCI-AAEUAGOBSA-N 0 3 232.327 2.015 20 30 BEEDHN C=CCCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000161968782 487531542 /nfs/dbraw/zinc/53/15/42/487531542.db2.gz JHTARLCOBPKXCI-DGCLKSJQSA-N 0 3 232.327 2.015 20 30 BEEDHN CCC#C[C@@H](C)N1CCCO[C@H](CC)C1 ZINC000685007388 487491257 /nfs/dbraw/zinc/49/12/57/487491257.db2.gz ONHNIAXWSKVDCN-CHWSQXEVSA-N 0 3 209.333 2.289 20 30 BEEDHN C#CCN(CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274012520 487507482 /nfs/dbraw/zinc/50/74/82/487507482.db2.gz AWFFSYSJENHPJZ-UHFFFAOYSA-N 0 3 244.294 2.235 20 30 BEEDHN CCN(CC#CCOC)Cc1ccc(C)cc1 ZINC000677818384 487508858 /nfs/dbraw/zinc/50/88/58/487508858.db2.gz LAHQLXDISPLPGB-UHFFFAOYSA-N 0 3 231.339 2.467 20 30 BEEDHN CCC#C[C@@H](C)N1CC[C@@H](Oc2ccncc2)C1 ZINC000672554905 488259846 /nfs/dbraw/zinc/25/98/46/488259846.db2.gz RSNWFLAIQGTKPV-UKRRQHHQSA-N 0 3 244.338 2.337 20 30 BEEDHN CCOc1ccc([C@@H](C)NCC#CCOC)cc1 ZINC000678733440 488279708 /nfs/dbraw/zinc/27/97/08/488279708.db2.gz PVSJGIWGJRLQGR-CYBMUJFWSA-N 0 3 247.338 2.386 20 30 BEEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000678735688 488279738 /nfs/dbraw/zinc/27/97/38/488279738.db2.gz WEEQBYRYLFKLHH-JQWIXIFHSA-N 0 3 249.310 2.003 20 30 BEEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(OC)c1 ZINC000678736061 488280177 /nfs/dbraw/zinc/28/01/77/488280177.db2.gz SKEWCQUWQSBLBD-RISCZKNCSA-N 0 3 235.327 2.283 20 30 BEEDHN CCOc1cccc([C@@H](C)NCC#CCOC)c1 ZINC000678756349 488280817 /nfs/dbraw/zinc/28/08/17/488280817.db2.gz DCYFJMORCDBHST-CYBMUJFWSA-N 0 3 247.338 2.386 20 30 BEEDHN COCC#CCNC(C)(C)c1cccc(F)c1 ZINC000678782476 488282208 /nfs/dbraw/zinc/28/22/08/488282208.db2.gz QPBHHQPZEJRGDY-UHFFFAOYSA-N 0 3 235.302 2.300 20 30 BEEDHN C=CCOCCN[C@H](C)c1ncccc1CC ZINC000679576108 488358998 /nfs/dbraw/zinc/35/89/98/488358998.db2.gz HTURUYITNSQBCU-GFCCVEGCSA-N 0 3 234.343 2.497 20 30 BEEDHN C=CCOc1cccc(NC(=O)[C@H](CC)NC)c1 ZINC000662406521 490066753 /nfs/dbraw/zinc/06/67/53/490066753.db2.gz GAVODZVUNYJIRJ-ZDUSSCGKSA-N 0 3 248.326 2.188 20 30 BEEDHN C=C(C)CN1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000555880800 490197823 /nfs/dbraw/zinc/19/78/23/490197823.db2.gz SRSQFBBXOUCZMR-CYBMUJFWSA-N 0 3 233.359 2.422 20 30 BEEDHN C=C(C)CN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649830039 490206701 /nfs/dbraw/zinc/20/67/01/490206701.db2.gz UWHCDIRYPOGQFF-MRXNPFEDSA-N 0 3 244.382 2.421 20 30 BEEDHN N#Cc1cccc(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000335413880 490301536 /nfs/dbraw/zinc/30/15/36/490301536.db2.gz BVMKCCNTFSKDAS-CABCVRRESA-N 0 3 242.322 2.169 20 30 BEEDHN C[C@@H](NCCCCC#N)c1ccccn1 ZINC000042224861 490381788 /nfs/dbraw/zinc/38/17/88/490381788.db2.gz CSRNKXWFTZDYPY-LLVKDONJSA-N 0 3 203.289 2.426 20 30 BEEDHN CCOC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H]1C#N ZINC000354649190 535681937 /nfs/dbraw/zinc/68/19/37/535681937.db2.gz NKXACEBPYWJXOD-FQUUOJAGSA-N 0 3 236.359 2.473 20 30 BEEDHN C[C@H](Cc1ccc(O)cc1)NCC(C)(C)C#N ZINC000122237538 534145672 /nfs/dbraw/zinc/14/56/72/534145672.db2.gz ZPYWYAJUBMCUDP-LLVKDONJSA-N 0 3 232.327 2.463 20 30 BEEDHN C=CC[C@@H](CO)NCc1cnc(C(C)C)s1 ZINC000309323659 534316879 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2.284 20 30 BEEDHN CC#CCN1CCC2(CCC(O)CC2)CC1 ZINC000336261008 534709324 /nfs/dbraw/zinc/70/93/24/534709324.db2.gz DCWOXLXBSGKASL-UHFFFAOYSA-N 0 3 221.344 2.027 20 30 BEEDHN C=CCCCN1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000360558149 534718429 /nfs/dbraw/zinc/71/84/29/534718429.db2.gz YQDPXUPHGVUZHI-NEPJUHHUSA-N 0 3 225.332 2.226 20 30 BEEDHN C=CCCCN1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373811226 534722308 /nfs/dbraw/zinc/72/23/08/534722308.db2.gz LOMQYBBJHKOPGT-ZIAGYGMSSA-N 0 3 239.359 2.223 20 30 BEEDHN C=CCCOCC[NH2+]Cc1ccccc1[O-] ZINC000120852827 534777225 /nfs/dbraw/zinc/77/72/25/534777225.db2.gz MTVVHBIFOHTDAE-UHFFFAOYSA-N 0 3 221.300 2.075 20 30 BEEDHN C=CCC[C@@H](NCC(=O)N(C)C)c1ccccc1 ZINC000180041169 534796832 /nfs/dbraw/zinc/79/68/32/534796832.db2.gz HNPZUUJJNMZMRI-CQSZACIVSA-N 0 3 246.354 2.372 20 30 BEEDHN C=CCN(CC=C)C(=O)[C@@H]1CCCN1CCC ZINC000342531146 534823871 /nfs/dbraw/zinc/82/38/71/534823871.db2.gz BEYXTACXPKQXCO-ZDUSSCGKSA-N 0 3 236.359 2.061 20 30 BEEDHN C=CCN(CC=C)CCC(=O)OC(C)(C)C ZINC000055058803 534827979 /nfs/dbraw/zinc/82/79/79/534827979.db2.gz GXAMPERFCYLZQA-UHFFFAOYSA-N 0 3 225.332 2.392 20 30 BEEDHN C=CCN1CCC(c2c[nH]nc2C)CC1 ZINC000375356792 534846894 /nfs/dbraw/zinc/84/68/94/534846894.db2.gz RZQSMZKVUKMETH-UHFFFAOYSA-N 0 3 205.305 2.084 20 30 BEEDHN C=CCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183350793 534852510 /nfs/dbraw/zinc/85/25/10/534852510.db2.gz WWTVHALTSBWEMS-CYBMUJFWSA-N 0 3 221.275 2.465 20 30 BEEDHN C=CCOCCCN[C@@H](C)c1cncc(F)c1 ZINC000348045267 534875600 /nfs/dbraw/zinc/87/56/00/534875600.db2.gz HPGMCSJNJDTLEP-NSHDSACASA-N 0 3 238.306 2.464 20 30 BEEDHN C=CCOCCN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000339199682 534877611 /nfs/dbraw/zinc/87/76/11/534877611.db2.gz CGAKSZNADHOTRO-OLZOCXBDSA-N 0 3 239.359 2.078 20 30 BEEDHN C=CC[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000116927222 534886930 /nfs/dbraw/zinc/88/69/30/534886930.db2.gz ISMMOHZSQFXMQE-SECBINFHSA-N 0 3 235.283 2.175 20 30 BEEDHN C=CCN1CCCC[C@H]1COC(=O)NCCC ZINC000495837149 526456517 /nfs/dbraw/zinc/45/65/17/526456517.db2.gz NJIYIWFWIWPLLI-LBPRGKRZSA-N 0 3 240.347 2.163 20 30 BEEDHN C=C(C)CNC(=O)c1ccccc1CN(C)C ZINC000487439088 526623595 /nfs/dbraw/zinc/62/35/95/526623595.db2.gz MZELNTYDWWPDKQ-UHFFFAOYSA-N 0 3 232.327 2.054 20 30 BEEDHN C=C(C)COCCNCc1ccc(C#N)c(F)c1 ZINC000404088895 526654776 /nfs/dbraw/zinc/65/47/76/526654776.db2.gz SKSUDFXVQBKGES-UHFFFAOYSA-N 0 3 248.301 2.380 20 30 BEEDHN C=C(CC)CN1CCC[C@H](OC(=O)N(C)C)C1 ZINC000496282118 526852433 /nfs/dbraw/zinc/85/24/33/526852433.db2.gz HTXAUEQPKBREHI-LBPRGKRZSA-N 0 3 240.347 2.115 20 30 BEEDHN C#CCN[C@@H](c1ccnc(Cl)c1)C1CC1 ZINC000308872763 527059648 /nfs/dbraw/zinc/05/96/48/527059648.db2.gz LHDAGVTWBKVYPB-GFCCVEGCSA-N 0 3 220.703 2.409 20 30 BEEDHN C=CCCCCCN(C)C(=O)/C=C\CN(C)C ZINC000491880929 527116501 /nfs/dbraw/zinc/11/65/01/527116501.db2.gz GLLJSLXGADLDPW-KHPPLWFESA-N 0 3 238.375 2.309 20 30 BEEDHN C#C[C@H](C)N(C)Cc1ccc2c(c1)CCO2 ZINC000491814322 527333088 /nfs/dbraw/zinc/33/30/88/527333088.db2.gz JPTAJQBMSXUTDU-NSHDSACASA-N 0 3 215.296 2.075 20 30 BEEDHN C=CCN(C)CCc1nc2ccccc2n1C ZINC000494692934 527573715 /nfs/dbraw/zinc/57/37/15/527573715.db2.gz WGJKWTJNRLKTIK-UHFFFAOYSA-N 0 3 229.327 2.234 20 30 BEEDHN CCC1(CNCc2ccc(C#N)c(F)c2)COC1 ZINC000404099752 527746742 /nfs/dbraw/zinc/74/67/42/527746742.db2.gz ZANZLSDZEKWDEG-UHFFFAOYSA-N 0 3 248.301 2.214 20 30 BEEDHN CC[C@H]1CC[C@H](NC(=O)C(C)C#N)CC1 ZINC000479673705 529256981 /nfs/dbraw/zinc/25/69/81/529256981.db2.gz KKCPHCWTDLFWHJ-GMTAPVOTSA-N 0 3 208.305 2.231 20 30 BEEDHN CC(C)CC[C@H](O)CN1CCC(C)(C#N)CC1 ZINC000361309508 534946502 /nfs/dbraw/zinc/94/65/02/534946502.db2.gz IOAIAXZMBCKARJ-ZDUSSCGKSA-N 0 3 238.375 2.409 20 30 BEEDHN CC(C)CN1CCN(c2ccccc2C#N)CC1 ZINC000048936243 535105981 /nfs/dbraw/zinc/10/59/81/535105981.db2.gz BYMUWOWBRFCRKR-UHFFFAOYSA-N 0 3 243.354 2.336 20 30 BEEDHN CC(C)[C@]1(CO)CCCN(CCCC#N)C1 ZINC000339699236 535309778 /nfs/dbraw/zinc/30/97/78/535309778.db2.gz 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/nfs/dbraw/zinc/01/90/22/979019022.db2.gz NBGJOMHQEWXSJA-ZJUUUORDSA-N 0 3 248.317 2.078 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N1CCC(CC)CC1 ZINC001340619850 979044726 /nfs/dbraw/zinc/04/47/26/979044726.db2.gz BVDFNBBRBCZDQL-ZDUSSCGKSA-N 0 3 238.375 2.319 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N1CCC(CC)CC1 ZINC001340619849 979044911 /nfs/dbraw/zinc/04/49/11/979044911.db2.gz BVDFNBBRBCZDQL-CYBMUJFWSA-N 0 3 238.375 2.319 20 30 BEEDHN CO[C@@H](C)C1CN(Cc2ccccc2CC#N)C1 ZINC001235525179 979066901 /nfs/dbraw/zinc/06/69/01/979066901.db2.gz KFPWWEMOJPQRAF-LBPRGKRZSA-N 0 3 244.338 2.219 20 30 BEEDHN N#CCCN(CCCCCO)C1CCCC1 ZINC001235664459 979111395 /nfs/dbraw/zinc/11/13/95/979111395.db2.gz ULHGTUOJLAASAD-UHFFFAOYSA-N 0 3 224.348 2.307 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)Nc1cnc(C)c(C)c1 ZINC001340967815 979179977 /nfs/dbraw/zinc/17/99/77/979179977.db2.gz IQHNPCXGQBWRDJ-CYBMUJFWSA-N 0 3 247.342 2.321 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)NC(C)(C)/C=C/Cl ZINC001341018643 979195063 /nfs/dbraw/zinc/19/50/63/979195063.db2.gz JHOMNAAWNDENOM-AAXQSMANSA-N 0 3 244.766 2.317 20 30 BEEDHN C#C[C@H](C)NCc1ccccc1NCC ZINC001181645151 979203729 /nfs/dbraw/zinc/20/37/29/979203729.db2.gz AEDXVACKTYNRGG-NSHDSACASA-N 0 3 202.301 2.230 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)CCC1CC1 ZINC001341041406 979204643 /nfs/dbraw/zinc/20/46/43/979204643.db2.gz KRLAVLBCLMVGDW-WCQYABFASA-N 0 3 238.375 2.365 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N(CC)C1CCCC1 ZINC001341310024 979326642 /nfs/dbraw/zinc/32/66/42/979326642.db2.gz ULBHVZGDLPWQDK-CYBMUJFWSA-N 0 3 238.375 2.461 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N(C(C)C)C1CCC1 ZINC001341581065 979480252 /nfs/dbraw/zinc/48/02/52/979480252.db2.gz MEXVGQJEZKNBHM-CYBMUJFWSA-N 0 3 238.375 2.460 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(O)cc1 ZINC001341649312 979508332 /nfs/dbraw/zinc/50/83/32/979508332.db2.gz ICPMKWUBAZWNCG-GFCCVEGCSA-N 0 3 234.299 2.014 20 30 BEEDHN C=CC(C)(C)CC(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C ZINC001341780595 979558588 /nfs/dbraw/zinc/55/85/88/979558588.db2.gz MIGLTCGGTLYVEZ-GRYCIOLGSA-N 0 3 238.375 2.186 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N(CCC)C1CC1 ZINC001341892164 979588091 /nfs/dbraw/zinc/58/80/91/979588091.db2.gz VDGBPGFUXCAOBT-GFCCVEGCSA-N 0 3 224.348 2.071 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](CC=C)C1 ZINC001342197850 979706357 /nfs/dbraw/zinc/70/63/57/979706357.db2.gz APGNFRDWERMDFP-OLZOCXBDSA-N 0 3 236.359 2.095 20 30 BEEDHN C#CCN(C)Cc1ccc(CC)cc1O ZINC001236794740 979740059 /nfs/dbraw/zinc/74/00/59/979740059.db2.gz OEAGPVFMAZMTBO-UHFFFAOYSA-N 0 3 203.285 2.020 20 30 BEEDHN C=CCN1CCC(C)(NC(=O)CCCC)CC1 ZINC001278024089 979783268 /nfs/dbraw/zinc/78/32/68/979783268.db2.gz UTDFDWRJBDGOSM-UHFFFAOYSA-N 0 3 238.375 2.333 20 30 BEEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1CCC ZINC001342379737 979786899 /nfs/dbraw/zinc/78/68/99/979786899.db2.gz KXMYHLJMBKMHKP-MNOVXSKESA-N 0 3 244.766 2.247 20 30 BEEDHN Cn1ccnc1C(C#N)C(=O)CC1CCCC1 ZINC001342925659 979939988 /nfs/dbraw/zinc/93/99/88/979939988.db2.gz VAYMEMTXBNBNRV-NSHDSACASA-N 0 3 231.299 2.177 20 30 BEEDHN CN(Cc1cn2cc(C#N)ccc2n1)C(C)(C)C ZINC001237614394 979975808 /nfs/dbraw/zinc/97/58/08/979975808.db2.gz OBVXOMJCQGDVSK-UHFFFAOYSA-N 0 3 242.326 2.436 20 30 BEEDHN Cn1ccnc1C(C#N)C(=O)C(C)(C)C1CC1 ZINC001343717104 980215447 /nfs/dbraw/zinc/21/54/47/980215447.db2.gz ODRHOYWNCNUWBH-JTQLQIEISA-N 0 3 231.299 2.033 20 30 BEEDHN Cn1ccnc1C(C#N)C(=O)CCC(C)(F)F ZINC001343851874 980254733 /nfs/dbraw/zinc/25/47/33/980254733.db2.gz LBURKCOQDYIEMR-QMMMGPOBSA-N 0 3 241.241 2.032 20 30 BEEDHN Cn1ccnc1C(C#N)C(=O)C1CC(C)(C)C1 ZINC001343850831 980255049 /nfs/dbraw/zinc/25/50/49/980255049.db2.gz GNTLKMSRIJCQRM-JTQLQIEISA-N 0 3 231.299 2.033 20 30 BEEDHN N#CC(C(=O)c1ccoc1)c1cccc(F)n1 ZINC001344007728 980313972 /nfs/dbraw/zinc/31/39/72/980313972.db2.gz RDMLCZZHGGDVPH-SECBINFHSA-N 0 3 230.198 2.304 20 30 BEEDHN CCc1cc(CN2CCC[C@H](O)C2)ccc1C#N ZINC001238759852 980317011 /nfs/dbraw/zinc/31/70/11/980317011.db2.gz AVCRRTRWWZHVKC-HNNXBMFYSA-N 0 3 244.338 2.077 20 30 BEEDHN CCc1cc(CN2CCC(O)CC2)ccc1C#N ZINC001238765297 980323837 /nfs/dbraw/zinc/32/38/37/980323837.db2.gz DMWJPJUOKCZNOX-UHFFFAOYSA-N 0 3 244.338 2.077 20 30 BEEDHN CCn1ccnc1C(C#N)C(=O)[C@@H](C)C1CC1 ZINC001344874832 980491210 /nfs/dbraw/zinc/49/12/10/980491210.db2.gz IXKFDCFYPDZLNW-GXSJLCMTSA-N 0 3 231.299 2.125 20 30 BEEDHN N#Cc1ccnc(CN2CCC[C@H]2C2CC2)c1 ZINC001190828533 980934566 /nfs/dbraw/zinc/93/45/66/980934566.db2.gz WNXFDZCMKKCUSY-AWEZNQCLSA-N 0 3 227.311 2.328 20 30 BEEDHN [O-]/N=C/c1ccc(F)c(C2=CC[NH2+]CC2)c1 ZINC001240469347 981406071 /nfs/dbraw/zinc/40/60/71/981406071.db2.gz WDQZTPKLIIIFIH-OVCLIPMQSA-N 0 3 220.247 2.011 20 30 BEEDHN C#CC[C@@H](COC)NCc1cccc(OCC)c1 ZINC000716947760 982032634 /nfs/dbraw/zinc/03/26/34/982032634.db2.gz OJGVYLNOHPRTIW-AWEZNQCLSA-N 0 3 247.338 2.213 20 30 BEEDHN CN1CC=C(c2ccnc3[nH]cc(C#N)c32)CC1 ZINC001241322209 982481878 /nfs/dbraw/zinc/48/18/78/982481878.db2.gz KBSSRKZGRSVEDL-UHFFFAOYSA-N 0 3 238.294 2.153 20 30 BEEDHN CN(C)Cc1cccc(-c2ccc(C#N)nc2)n1 ZINC001241426398 982581328 /nfs/dbraw/zinc/58/13/28/982581328.db2.gz YZZZZLADHZKHIS-UHFFFAOYSA-N 0 3 238.294 2.077 20 30 BEEDHN CC(=NNC1CCSCC1)c1ccc(N)cc1 ZINC001353079499 982690565 /nfs/dbraw/zinc/69/05/65/982690565.db2.gz HYSRLMWMJDPBBT-UHFFFAOYSA-N 0 3 249.383 2.478 20 30 BEEDHN C=CCCC[C@@H](N)C(=O)N(CCCC)C1CC1 ZINC001353181988 982753355 /nfs/dbraw/zinc/75/33/55/982753355.db2.gz GWVXWCYNYUAWBD-CYBMUJFWSA-N 0 3 238.375 2.461 20 30 BEEDHN COc1ccc(C2=CCCN(C)C2)c(CC#N)c1 ZINC001241570426 982819530 /nfs/dbraw/zinc/81/95/30/982819530.db2.gz HNIIGDZOYUOTFP-UHFFFAOYSA-N 0 3 242.322 2.480 20 30 BEEDHN CC#CCNC[C@H](O)c1cccc2ccccc21 ZINC001353302081 982827189 /nfs/dbraw/zinc/82/71/89/982827189.db2.gz VXCVPZZZNPAALJ-INIZCTEOSA-N 0 3 239.318 2.486 20 30 BEEDHN C=CCN(C)C[C@H](O)c1cccc(C)c1 ZINC001354634721 983336084 /nfs/dbraw/zinc/33/60/84/983336084.db2.gz DFJHZEQXRZVORQ-ZDUSSCGKSA-N 0 3 205.301 2.146 20 30 BEEDHN C=CCOCc1ncn2c1CN(CCC)CCC2 ZINC001201637756 983363485 /nfs/dbraw/zinc/36/34/85/983363485.db2.gz ZJICQDZECPWNQZ-UHFFFAOYSA-N 0 3 249.358 2.201 20 30 BEEDHN CC1(C)CC(=O)C=C(c2cc(N)ccn2)C1 ZINC001242313385 983546410 /nfs/dbraw/zinc/54/64/10/983546410.db2.gz BYWSGDINZJFQIZ-UHFFFAOYSA-N 0 3 216.284 2.436 20 30 BEEDHN CC1(C)CC(=O)C=C(c2ccc(CN)nc2)C1 ZINC001242315625 983548849 /nfs/dbraw/zinc/54/88/49/983548849.db2.gz QMVWTYNLHANQQB-UHFFFAOYSA-N 0 3 230.311 2.313 20 30 BEEDHN Cc1cc(-c2nccc3c2CCN3)cnc1C#N ZINC001242353075 983630029 /nfs/dbraw/zinc/63/00/29/983630029.db2.gz CIDDRWWHMGXLAE-UHFFFAOYSA-N 0 3 236.278 2.292 20 30 BEEDHN Cn1ccnc1C(C#N)C(=O)[C@@H]1CC12CCCC2 ZINC001356578896 983632337 /nfs/dbraw/zinc/63/23/37/983632337.db2.gz ULUXQXHQOWZCTF-MNOVXSKESA-N 0 3 243.310 2.177 20 30 BEEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@](C)(CC)C1 ZINC001357308816 983687665 /nfs/dbraw/zinc/68/76/65/983687665.db2.gz KQEHSHYIUWDDLY-GXTWGEPZSA-N 0 3 238.375 2.319 20 30 BEEDHN Cc1cc(C#N)ccc1-c1ccnc(CN)c1 ZINC001242472762 983796908 /nfs/dbraw/zinc/79/69/08/983796908.db2.gz HUDVMKVRLKACCY-UHFFFAOYSA-N 0 3 223.279 2.387 20 30 BEEDHN Cc1ccc(C#N)cc1-c1ccc(CN)nc1 ZINC001242541772 983860583 /nfs/dbraw/zinc/86/05/83/983860583.db2.gz NBIFELKRLNXEFT-UHFFFAOYSA-N 0 3 223.279 2.387 20 30 BEEDHN C#C[C@@H](N[C@@H]1C[C@@H]2COC[C@H]12)c1ccc(F)cc1 ZINC001474543843 983906930 /nfs/dbraw/zinc/90/69/30/983906930.db2.gz GDCHQAGRUYLLRU-FAAHXZRKSA-N 0 3 245.297 2.125 20 30 BEEDHN C=CCNC(=O)Nc1ccccc1CN(C)C ZINC001202570201 984073589 /nfs/dbraw/zinc/07/35/89/984073589.db2.gz KGEALABAWDWTNE-UHFFFAOYSA-N 0 3 233.315 2.056 20 30 BEEDHN C[C@H]1CC(=O)C=C(c2cnc3c(c2)CNCC3)C1 ZINC001242741563 984092785 /nfs/dbraw/zinc/09/27/85/984092785.db2.gz VFJZEKAVUZRCKN-SNVBAGLBSA-N 0 3 242.322 2.110 20 30 BEEDHN C#CCN(Cc1cccc(C#N)c1)CC1CC1 ZINC001319458326 984270404 /nfs/dbraw/zinc/27/04/04/984270404.db2.gz KYBSVGZEWDKRCK-UHFFFAOYSA-N 0 3 224.307 2.403 20 30 BEEDHN C=CCN(C)C[C@H]1CCCN1C(=O)/C(C)=C/C ZINC001275100181 984486189 /nfs/dbraw/zinc/48/61/89/984486189.db2.gz GKKVNCSGKGBAMK-XEVNVYFWSA-N 0 3 236.359 2.061 20 30 BEEDHN C=CCCC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001446813446 984682609 /nfs/dbraw/zinc/68/26/09/984682609.db2.gz ZPVHVBOWHXJXPU-SNVBAGLBSA-N 0 3 235.331 2.122 20 30 BEEDHN C=CCCN(C)C[C@@](O)(CC)C(F)(F)F ZINC000930253670 984952050 /nfs/dbraw/zinc/95/20/50/984952050.db2.gz XTIGOCWRGCJNLG-VIFPVBQESA-N 0 3 225.254 2.198 20 30 BEEDHN N#C[C@@H]1CC=C(c2cnc3c(c2)CNCC3)CC1 ZINC001243801301 985373872 /nfs/dbraw/zinc/37/38/72/985373872.db2.gz WPSFAWKLJAXJFM-LLVKDONJSA-N 0 3 239.322 2.434 20 30 BEEDHN COC(=O)c1cc(C2=CNCCC2)ccc1C#N ZINC001243950948 985648198 /nfs/dbraw/zinc/64/81/98/985648198.db2.gz ANXUPJHTQUUSSO-UHFFFAOYSA-N 0 3 242.278 2.069 20 30 BEEDHN [O-]/N=C/c1cccc(C2=C[NH2+]CCC2)c1 ZINC001243950852 985648830 /nfs/dbraw/zinc/64/88/30/985648830.db2.gz OMCOBIVIXQEWMS-RIYZIHGNSA-N 0 3 202.257 2.219 20 30 BEEDHN N#Cc1c[nH]c2cc(C3=CNCCC3)cnc12 ZINC001243952825 985659750 /nfs/dbraw/zinc/65/97/50/985659750.db2.gz VFFYNLYPSMNSNP-UHFFFAOYSA-N 0 3 224.267 2.159 20 30 BEEDHN C#CCN(CCCC1CC1)C1CSC1 ZINC001460375195 985842720 /nfs/dbraw/zinc/84/27/20/985842720.db2.gz HZWICKYJCAAATQ-UHFFFAOYSA-N 0 3 209.358 2.227 20 30 BEEDHN C#CCCN1CCO[C@@H](c2ccccc2)CC1 ZINC001460949543 985955454 /nfs/dbraw/zinc/95/54/54/985955454.db2.gz OWNPIZROTFMEKH-OAHLLOKOSA-N 0 3 229.323 2.473 20 30 BEEDHN N#Cc1ccc(CNC2([C@@H]3CCCO3)CCC2)o1 ZINC001460952448 985955616 /nfs/dbraw/zinc/95/56/16/985955616.db2.gz ZPADBUFXIAJZEY-ZDUSSCGKSA-N 0 3 246.310 2.343 20 30 BEEDHN C=CCC[C@H](C)N1CCC(=O)[C@@H](F)CC1 ZINC001258724752 986063692 /nfs/dbraw/zinc/06/36/92/986063692.db2.gz DPGQQKZFYZRPKX-QWRGUYRKSA-N 0 3 213.296 2.344 20 30 BEEDHN C=CCC[C@@H](C)N1CC[C@](O)(CF)[C@@H](F)C1 ZINC001258725083 986066626 /nfs/dbraw/zinc/06/66/26/986066626.db2.gz HWZPLDOTXLUFGZ-WOPDTQHZSA-N 0 3 233.302 2.086 20 30 BEEDHN C=C[C@H](O)CNCc1ccc(F)cc1Cl ZINC001253598454 986226577 /nfs/dbraw/zinc/22/65/77/986226577.db2.gz 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166232611 /nfs/dbraw/zinc/23/26/11/166232611.db2.gz FOWCMHDEYKMWEW-UHFFFAOYSA-N 0 3 232.327 2.184 20 30 BEEDHN C=CCCCNCc1cn(C(C)(C)C)nn1 ZINC000279114286 166241523 /nfs/dbraw/zinc/24/15/23/166241523.db2.gz KWYYIKJDCASWQG-UHFFFAOYSA-N 0 3 222.336 2.089 20 30 BEEDHN C=CCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000279787771 166241786 /nfs/dbraw/zinc/24/17/86/166241786.db2.gz IFRLMYOOLVVYBT-UHFFFAOYSA-N 0 3 221.300 2.457 20 30 BEEDHN C=CCCN(C)Cc1cn(C)nc1C(F)F ZINC000276343349 166258693 /nfs/dbraw/zinc/25/86/93/166258693.db2.gz CMDHHGSJOIRMLY-UHFFFAOYSA-N 0 3 229.274 2.366 20 30 BEEDHN C=CCCN(C)Cc1ccc(COC)o1 ZINC000276144330 166260024 /nfs/dbraw/zinc/26/00/24/166260024.db2.gz NVVGODQNWNHUEJ-UHFFFAOYSA-N 0 3 209.289 2.434 20 30 BEEDHN C=CCCN(C)[C@H](C)C(=O)NCc1ccccc1 ZINC000276488230 166261647 /nfs/dbraw/zinc/26/16/47/166261647.db2.gz UMCCLABJVKSVKY-CYBMUJFWSA-N 0 3 246.354 2.199 20 30 BEEDHN C=CCCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000265788991 166264746 /nfs/dbraw/zinc/26/47/46/166264746.db2.gz MCKQXPVJQGHUDR-AWEZNQCLSA-N 0 3 244.338 2.126 20 30 BEEDHN C=CCC[C@@H](NC[C@@H](C)O)c1ccco1 ZINC000278981864 166295627 /nfs/dbraw/zinc/29/56/27/166295627.db2.gz PMOCXIWUZHOUJY-GHMZBOCLSA-N 0 3 209.289 2.257 20 30 BEEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000268533596 166297106 /nfs/dbraw/zinc/29/71/06/166297106.db2.gz JEGXFOWSHSDKSV-TZMCWYRMSA-N 0 3 234.343 2.479 20 30 BEEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(C)o1 ZINC000268621527 166298417 /nfs/dbraw/zinc/29/84/17/166298417.db2.gz IPYXFSSUJSJZRK-GFCCVEGCSA-N 0 3 223.316 2.347 20 30 BEEDHN C=CCC[C@@H](N[C@H](C)CO)c1ccco1 ZINC000276479299 166298666 /nfs/dbraw/zinc/29/86/66/166298666.db2.gz RHYMSLNDBJDFHZ-GHMZBOCLSA-N 0 3 209.289 2.257 20 30 BEEDHN C=CCC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000268530085 166298789 /nfs/dbraw/zinc/29/87/89/166298789.db2.gz IIJQBGBEEHAMEZ-CYBMUJFWSA-N 0 3 235.327 2.151 20 30 BEEDHN C=CCC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000268530085 166298793 /nfs/dbraw/zinc/29/87/93/166298793.db2.gz IIJQBGBEEHAMEZ-CYBMUJFWSA-N 0 3 235.327 2.151 20 30 BEEDHN C=CCC[C@H](O)CN(CC)Cc1ccncc1 ZINC000271039425 166303674 /nfs/dbraw/zinc/30/36/74/166303674.db2.gz SNOWORZOIIJUGD-AWEZNQCLSA-N 0 3 234.343 2.231 20 30 BEEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1cccnc1 ZINC000271491870 166304205 /nfs/dbraw/zinc/30/42/05/166304205.db2.gz IAQHOAURYWAMKX-JSGCOSHPSA-N 0 3 234.343 2.402 20 30 BEEDHN C=CCN(C)Cc1cc(OC)ccc1O ZINC000154768566 166321867 /nfs/dbraw/zinc/32/18/67/166321867.db2.gz KREUXFJQAZFJND-UHFFFAOYSA-N 0 3 207.273 2.019 20 30 BEEDHN C=CCN(C)Cc1cccc(OCC)c1O ZINC000154772813 166323070 /nfs/dbraw/zinc/32/30/70/166323070.db2.gz OOXBVHAYQYVMKT-UHFFFAOYSA-N 0 3 221.300 2.409 20 30 BEEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@H]1C ZINC000078822935 166329310 /nfs/dbraw/zinc/32/93/10/166329310.db2.gz GHUXQBZCUPJLPT-CYBMUJFWSA-N 0 3 236.359 2.061 20 30 BEEDHN C=CCN(CCc1ccco1)C[C@@H](O)CC ZINC000272270794 166343436 /nfs/dbraw/zinc/34/34/36/166343436.db2.gz LLMDXBWPJOLBGW-LBPRGKRZSA-N 0 3 223.316 2.081 20 30 BEEDHN C=CCN(C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000271538921 166343864 /nfs/dbraw/zinc/34/38/64/166343864.db2.gz YQLGOLHSMNXHJP-HNNXBMFYSA-N 0 3 231.339 2.240 20 30 BEEDHN C=CCN1CCN(CC=C)[C@@H]([C@@H](C)CC)C1 ZINC000270024294 166355100 /nfs/dbraw/zinc/35/51/00/166355100.db2.gz SRQKPOGZFFMBDT-UONOGXRCSA-N 0 3 222.376 2.391 20 30 BEEDHN C=CC[C@H]1CCCN(Cc2n[nH]c(CC)n2)C1 ZINC000661387236 410604934 /nfs/dbraw/zinc/60/49/34/410604934.db2.gz XJHWZCUATKRNDF-NSHDSACASA-N 0 3 234.347 2.155 20 30 BEEDHN CCC#C[C@@H](C)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000661489113 410701135 /nfs/dbraw/zinc/70/11/35/410701135.db2.gz CJGFNJUBTQNELH-MCIONIFRSA-N 0 3 221.344 2.147 20 30 BEEDHN CC(C)OC[C@@H](C)NCc1cccc(C#N)c1 ZINC000337333471 167257104 /nfs/dbraw/zinc/25/71/04/167257104.db2.gz JREMKMNJTPJDGO-GFCCVEGCSA-N 0 3 232.327 2.461 20 30 BEEDHN CC(C)[C@H]1CCN1Cc1cc(C#N)n(C)c1 ZINC000336606084 167481872 /nfs/dbraw/zinc/48/18/72/167481872.db2.gz TZPHNPWCMRRGDF-CYBMUJFWSA-N 0 3 217.316 2.127 20 30 BEEDHN C=CC[C@@H]1CC[C@@H](NCc2cc[nH]n2)C1 ZINC000651671719 411134962 /nfs/dbraw/zinc/13/49/62/411134962.db2.gz BLMZESIVAONSSD-GHMZBOCLSA-N 0 3 205.305 2.244 20 30 BEEDHN CCOC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000045688614 411147886 /nfs/dbraw/zinc/14/78/86/411147886.db2.gz MFTIBJZZZDYANV-LLVKDONJSA-N 0 3 246.310 2.162 20 30 BEEDHN COC(C)(C)CNCc1cccc(C#N)c1 ZINC000133033846 411181224 /nfs/dbraw/zinc/18/12/24/411181224.db2.gz KBPOGAQXTXKTOA-UHFFFAOYSA-N 0 3 218.300 2.073 20 30 BEEDHN C=CC[C@@H](CO)N[C@H](C)c1cc2cnccc2o1 ZINC000657973955 411184499 /nfs/dbraw/zinc/18/44/99/411184499.db2.gz KZCTZNUCUHDFLS-PWSUYJOCSA-N 0 3 246.310 2.415 20 30 BEEDHN C=C(CC)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000656452894 411274731 /nfs/dbraw/zinc/27/47/31/411274731.db2.gz BYVHVSADFYVBCV-NSHDSACASA-N 0 3 222.336 2.290 20 30 BEEDHN C=CCC[C@@H](NCc1cn(CC)nn1)C1CC1 ZINC000658177960 411282898 /nfs/dbraw/zinc/28/28/98/411282898.db2.gz XWBDDEXKVVTJFN-CYBMUJFWSA-N 0 3 234.347 2.132 20 30 BEEDHN C=CCOCCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000658205035 411292056 /nfs/dbraw/zinc/29/20/56/411292056.db2.gz DOUPNVPJFGIELW-NEPJUHHUSA-N 0 3 235.331 2.071 20 30 BEEDHN C=CCOCCCN[C@@H](C)c1cncs1 ZINC000658209653 411294383 /nfs/dbraw/zinc/29/43/83/411294383.db2.gz ITCBIWUMPOFQEL-JTQLQIEISA-N 0 3 226.345 2.386 20 30 BEEDHN C=CC(C)(C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000448706028 411303423 /nfs/dbraw/zinc/30/34/23/411303423.db2.gz FJEYYZPBBNHULB-GFCCVEGCSA-N 0 3 238.375 2.047 20 30 BEEDHN C=C(CC)CN[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660529456 411310637 /nfs/dbraw/zinc/31/06/37/411310637.db2.gz SYKSSNBSOPOVKX-UWVGGRQHSA-N 0 3 239.281 2.490 20 30 BEEDHN C=CCC[C@H](N[C@H]1C[C@H](O)C1)c1ccco1 ZINC000658349586 411350860 /nfs/dbraw/zinc/35/08/60/411350860.db2.gz YNFHQXOCLKRKDI-SRVKXCTJSA-N 0 3 221.300 2.400 20 30 BEEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2ccccn2)C1 ZINC000660628993 411361179 /nfs/dbraw/zinc/36/11/79/411361179.db2.gz YEIIBMUGSUCHPB-HIFRSBDPSA-N 0 3 246.354 2.198 20 30 BEEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)nn1 ZINC000653761314 411339035 /nfs/dbraw/zinc/33/90/35/411339035.db2.gz LQMTXLXZIGKFPZ-KWCYVHTRSA-N 0 3 246.358 2.132 20 30 BEEDHN C=C[C@H](CO)N[C@@H]1CCCc2c(OC)cccc21 ZINC000658334713 411343872 /nfs/dbraw/zinc/34/38/72/411343872.db2.gz SUTOYEVBOULALU-BXUZGUMPSA-N 0 3 247.338 2.209 20 30 BEEDHN C=CC[C@@H](C)N[C@@H]1CCCn2ccnc21 ZINC000655731140 411376668 /nfs/dbraw/zinc/37/66/68/411376668.db2.gz VJYKEIQFWMYXEC-GHMZBOCLSA-N 0 3 205.305 2.272 20 30 BEEDHN CC1CCN(CCNc2cc(C#N)ccn2)CC1 ZINC000040772422 168181312 /nfs/dbraw/zinc/18/13/12/168181312.db2.gz ZEOVYCAFFYLARW-UHFFFAOYSA-N 0 3 244.342 2.097 20 30 BEEDHN C=CC1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000659266641 411385056 /nfs/dbraw/zinc/38/50/56/411385056.db2.gz WAJWBFHRQICNEJ-UHFFFAOYSA-N 0 3 248.370 2.073 20 30 BEEDHN C=CCCn1cc(CN2CCC3(CC3)CC2)nn1 ZINC000653593897 411428713 /nfs/dbraw/zinc/42/87/13/411428713.db2.gz VISVVQPPKAWGOZ-UHFFFAOYSA-N 0 3 246.358 2.230 20 30 BEEDHN C=CCCn1cc(CN[C@@H](C)[C@@H](C)CC)nn1 ZINC000653605431 411431966 /nfs/dbraw/zinc/43/19/66/411431966.db2.gz WRWLRKADSKXDMN-RYUDHWBXSA-N 0 3 236.363 2.378 20 30 BEEDHN C=CC[C@@H](C)NCc1cc2n(n1)CCCC2 ZINC000655739062 411444839 /nfs/dbraw/zinc/44/48/39/411444839.db2.gz VLRVOUPVDBDOTK-LLVKDONJSA-N 0 3 219.332 2.274 20 30 BEEDHN C=CCCn1cc(CN[C@@]2(C)CC=CCC2)nn1 ZINC000657489911 411532691 /nfs/dbraw/zinc/53/26/91/411532691.db2.gz BOASVSILSHOOKB-AWEZNQCLSA-N 0 3 246.358 2.443 20 30 BEEDHN C=C1CCN(CCCC(=O)NCC(C)C)CC1 ZINC000659908408 411495475 /nfs/dbraw/zinc/49/54/75/411495475.db2.gz IGMLHDKBUQOUKY-UHFFFAOYSA-N 0 3 238.375 2.191 20 30 BEEDHN C=CCCCCCN(C)[C@@H]1CCN(CC)C1=O ZINC000659946749 411507512 /nfs/dbraw/zinc/50/75/12/411507512.db2.gz IXXMIAWBUDDFFP-CYBMUJFWSA-N 0 3 238.375 2.285 20 30 BEEDHN C=CCCn1cc(CNC[C@H]2CCC[C@H]2C)nn1 ZINC000657456779 411517330 /nfs/dbraw/zinc/51/73/30/411517330.db2.gz XBXHYIQTMSZWHJ-CHWSQXEVSA-N 0 3 248.374 2.380 20 30 BEEDHN C=C(CC)CNCc1ccnn1-c1ccncc1 ZINC000657484139 411528781 /nfs/dbraw/zinc/52/87/81/411528781.db2.gz KWUIIEUVGWVASN-UHFFFAOYSA-N 0 3 242.326 2.323 20 30 BEEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000657499891 411535553 /nfs/dbraw/zinc/53/55/53/411535553.db2.gz ISCUYYXIRPRPOU-JHJVBQTASA-N 0 3 246.358 2.132 20 30 BEEDHN C=CCCNCc1cccc(OCC)n1 ZINC000657582997 411554587 /nfs/dbraw/zinc/55/45/87/411554587.db2.gz RLQDVTMDSDFQMB-UHFFFAOYSA-N 0 3 206.289 2.146 20 30 BEEDHN C=CCCNCc1nccn1CC(F)(F)F ZINC000657583013 411554647 /nfs/dbraw/zinc/55/46/47/411554647.db2.gz SUCFNWMYGWSUDJ-UHFFFAOYSA-N 0 3 233.237 2.111 20 30 BEEDHN C=CCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000657583526 411555329 /nfs/dbraw/zinc/55/53/29/411555329.db2.gz NITDWQDVTCFNLP-UHFFFAOYSA-N 0 3 217.272 2.335 20 30 BEEDHN C=CCC1(NCc2nccs2)CCOCC1 ZINC000657633182 411567136 /nfs/dbraw/zinc/56/71/36/411567136.db2.gz JYHILYLDCFCSRP-UHFFFAOYSA-N 0 3 238.356 2.358 20 30 BEEDHN C=CCOCCCNCc1cnn(C(C)C)c1 ZINC000657657914 411571805 /nfs/dbraw/zinc/57/18/05/411571805.db2.gz GBXLWKZIQOUCQR-UHFFFAOYSA-N 0 3 237.347 2.146 20 30 BEEDHN C=CCOCCCNCc1sccc1OC ZINC000657658088 411572024 /nfs/dbraw/zinc/57/20/24/411572024.db2.gz LWOZGCONZDJJIT-UHFFFAOYSA-N 0 3 241.356 2.439 20 30 BEEDHN CCOCCCCNCc1ccc(C#N)o1 ZINC000164438019 170369559 /nfs/dbraw/zinc/36/95/59/170369559.db2.gz XEMXLAUDECDPDZ-UHFFFAOYSA-N 0 3 222.288 2.058 20 30 BEEDHN C=C[C@@H]1CCCCN1CCO[C@H]1CC1(F)F ZINC000660429397 411583857 /nfs/dbraw/zinc/58/38/57/411583857.db2.gz LLXDRIHSDGKGNN-MNOVXSKESA-N 0 3 231.286 2.451 20 30 BEEDHN C=C[C@H](CO)NCc1cc2c(cccc2C)[nH]1 ZINC000657794858 411599458 /nfs/dbraw/zinc/59/94/58/411599458.db2.gz XZEZIOGODNBDJX-LLVKDONJSA-N 0 3 230.311 2.113 20 30 BEEDHN C=CCCN[C@H](c1cccnc1)C(C)(C)CO ZINC000660639465 411610897 /nfs/dbraw/zinc/61/08/97/411610897.db2.gz RGPJUTXRWHBKOJ-CYBMUJFWSA-N 0 3 234.343 2.307 20 30 BEEDHN CC#CCN(C)C[C@@H](OC)C1CCCC1 ZINC000660643838 411611259 /nfs/dbraw/zinc/61/12/59/411611259.db2.gz DPJWWGFZYFQIHU-CYBMUJFWSA-N 0 3 209.333 2.147 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NCc1conc1CC ZINC000660742700 411620273 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ZINC000859443074 589037048 /nfs/dbraw/zinc/03/70/48/589037048.db2.gz XOMHFBMWBMPCNR-UHFFFAOYSA-N 0 3 243.354 2.156 20 30 BEEDHN C=CC[C@H]1CCN(Cc2cnoc2C)C1 ZINC000859445627 589037783 /nfs/dbraw/zinc/03/77/83/589037783.db2.gz METQVFLCPGKUEM-NSHDSACASA-N 0 3 206.289 2.381 20 30 BEEDHN C[C@H](C#N)OCCN[C@H](C)c1cccc(C#N)c1 ZINC000801937512 586279274 /nfs/dbraw/zinc/27/92/74/586279274.db2.gz OXYBCRQADHDYIS-VXGBXAGGSA-N 0 3 243.310 2.138 20 30 BEEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1c1ccncc1 ZINC000801936235 586279664 /nfs/dbraw/zinc/27/96/64/586279664.db2.gz KXFYIFOYYCRBGA-GXTWGEPZSA-N 0 3 245.326 2.147 20 30 BEEDHN N#CC(C(=O)C=Cc1ccc[nH]1)c1ccccn1 ZINC000802040138 586286640 /nfs/dbraw/zinc/28/66/40/586286640.db2.gz HXYBFFSDLVAXFZ-DGMVEKRQSA-N 0 3 237.262 2.299 20 30 BEEDHN C#CCOCCN[C@H](c1ccccn1)C1CCC1 ZINC000859567468 589045553 /nfs/dbraw/zinc/04/55/53/589045553.db2.gz GXENVPMEKDAHNB-HNNXBMFYSA-N 0 3 244.338 2.162 20 30 BEEDHN C#CCCCOC(=O)CC[C@@H]1CCCCN1C ZINC000803857305 586377506 /nfs/dbraw/zinc/37/75/06/586377506.db2.gz YOKZANZAYVVGAT-ZDUSSCGKSA-N 0 3 237.343 2.208 20 30 BEEDHN C=C(C)COC(=O)CC[C@H]1CCCCN1C ZINC000803855931 586377956 /nfs/dbraw/zinc/37/79/56/586377956.db2.gz KVMSRHPIXHOMBQ-GFCCVEGCSA-N 0 3 225.332 2.370 20 30 BEEDHN C=CC1CCN(CN2C(=O)CCC2(C)C)CC1 ZINC000808157480 586465909 /nfs/dbraw/zinc/46/59/09/586465909.db2.gz KEPMGDPJIVMCOA-UHFFFAOYSA-N 0 3 236.359 2.243 20 30 BEEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)[C@H](O)c1ccccc1 ZINC000808722094 586484366 /nfs/dbraw/zinc/48/43/66/586484366.db2.gz YUSILXHDYYPZLC-VIRABCJISA-N 0 3 244.338 2.390 20 30 BEEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)[C@H](O)c1ccccc1 ZINC000808722093 586484449 /nfs/dbraw/zinc/48/44/49/586484449.db2.gz YUSILXHDYYPZLC-MXYBEHONSA-N 0 3 244.338 2.390 20 30 BEEDHN CCCN(Cc1ccccc1)C[C@H](O)CC#N ZINC000809569682 586507008 /nfs/dbraw/zinc/50/70/08/586507008.db2.gz DTKLQKJTMCRZHE-CQSZACIVSA-N 0 3 232.327 2.173 20 30 BEEDHN CC(C)[C@H](NC[C@H](O)CC#N)c1ccccc1 ZINC000809571437 586507191 /nfs/dbraw/zinc/50/71/91/586507191.db2.gz RKYRCQITAWMAHW-KGLIPLIRSA-N 0 3 232.327 2.248 20 30 BEEDHN C[C@@H](NC[C@H](O)CC#N)C(C)(C)c1ccccc1 ZINC000809578045 586507681 /nfs/dbraw/zinc/50/76/81/586507681.db2.gz HKBUPERYSRPDMN-TZMCWYRMSA-N 0 3 246.354 2.217 20 30 BEEDHN C#Cc1ccc(CNCc2ccncc2)cc1 ZINC000809649956 586510858 /nfs/dbraw/zinc/51/08/58/586510858.db2.gz IZIDGDMTBCSBDT-UHFFFAOYSA-N 0 3 222.291 2.353 20 30 BEEDHN C#C[C@H](NCc1cnc2ccccn12)C(C)C ZINC000809685554 586512446 /nfs/dbraw/zinc/51/24/46/586512446.db2.gz ZXRLHJQJKPNYAI-ZDUSSCGKSA-N 0 3 227.311 2.082 20 30 BEEDHN C#Cc1ccc(CN2CCN(CC)C[C@@H]2C)cc1 ZINC000809698307 586513154 /nfs/dbraw/zinc/51/31/54/586513154.db2.gz YDXGXGZXSUVNAV-AWEZNQCLSA-N 0 3 242.366 2.194 20 30 BEEDHN C=C(C)CNN=Cc1ccc(N(C)C)cc1 ZINC000811650159 586562784 /nfs/dbraw/zinc/56/27/84/586562784.db2.gz NREPNXOTFOSBIY-UHFFFAOYSA-N 0 3 217.316 2.252 20 30 BEEDHN CN(C)c1ccncc1C=NOCCC1CC1 ZINC000814244928 586619942 /nfs/dbraw/zinc/61/99/42/586619942.db2.gz FRPJDXYTYFGGMV-UHFFFAOYSA-N 0 3 233.315 2.298 20 30 BEEDHN CON=C(C)c1ccc(CN(C)C)cc1 ZINC000814795746 586634588 /nfs/dbraw/zinc/63/45/88/586634588.db2.gz LXFINAYHKSEEKZ-UHFFFAOYSA-N 0 3 206.289 2.119 20 30 BEEDHN CCC(=NN[C@H](C)COC)c1cccc(N)c1 ZINC000814895549 586644788 /nfs/dbraw/zinc/64/47/88/586644788.db2.gz NXYRCYDDLTYKNE-SNVBAGLBSA-N 0 3 235.331 2.007 20 30 BEEDHN CCC(=NNCCCOC)c1cccc(N)c1 ZINC000814919563 586651000 /nfs/dbraw/zinc/65/10/00/586651000.db2.gz VVFJHUNCPCYPMO-UHFFFAOYSA-N 0 3 235.331 2.009 20 30 BEEDHN C=CCNN=C(C)c1ccc(CN(C)C)cc1 ZINC000814927947 586652824 /nfs/dbraw/zinc/65/28/24/586652824.db2.gz OMQLWUIMXNFXDJ-UHFFFAOYSA-N 0 3 231.343 2.248 20 30 BEEDHN C#CCCCN1CCc2nc(C3CC3)ncc2C1 ZINC000859797254 589061805 /nfs/dbraw/zinc/06/18/05/589061805.db2.gz SVBSEYOKXJMCGJ-UHFFFAOYSA-N 0 3 241.338 2.126 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000818224903 586881119 /nfs/dbraw/zinc/88/11/19/586881119.db2.gz SQKLYXBFSGPYLA-WFASDCNBSA-N 0 3 247.338 2.381 20 30 BEEDHN C=C(C)COCCNC[C@H](O)c1ccc(C)cc1 ZINC000819161246 586934326 /nfs/dbraw/zinc/93/43/26/586934326.db2.gz CXQIABWAZFTBDA-HNNXBMFYSA-N 0 3 249.354 2.211 20 30 BEEDHN C[C@@H](NN=C1CCN(C)[C@H](C)C1)c1ccncc1 ZINC000819814627 586998598 /nfs/dbraw/zinc/99/85/98/586998598.db2.gz CTWRZWUQDUQWCP-VXGBXAGGSA-N 0 3 246.358 2.202 20 30 BEEDHN C=C(C)C(C)(C)C(=O)NCCN1CCC[C@H]1C ZINC000819931917 587003770 /nfs/dbraw/zinc/00/37/70/587003770.db2.gz VVQWLHLRINSAMI-GFCCVEGCSA-N 0 3 238.375 2.189 20 30 BEEDHN C[C@@H](C#N)COC(=O)c1cccc(CN(C)C)c1 ZINC000821626781 587133433 /nfs/dbraw/zinc/13/34/33/587133433.db2.gz ZBHBKWIJFUVVDC-NSHDSACASA-N 0 3 246.310 2.065 20 30 BEEDHN N#CCCN[C@@H]1CCCc2ccccc2C1 ZINC000824301668 587265625 /nfs/dbraw/zinc/26/56/25/587265625.db2.gz BTMAHJFILREFCB-CQSZACIVSA-N 0 3 214.312 2.437 20 30 BEEDHN C=CCC[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000824525744 587272646 /nfs/dbraw/zinc/27/26/46/587272646.db2.gz DANPZGZLAVWZJQ-WDEREUQCSA-N 0 3 205.305 2.272 20 30 BEEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000824861807 587291037 /nfs/dbraw/zinc/29/10/37/587291037.db2.gz QJHLJXQPQWKJIG-KGLIPLIRSA-N 0 3 245.322 2.055 20 30 BEEDHN C#Cc1cccc(CNC[C@H]2CCC=CO2)c1 ZINC000825226519 587310255 /nfs/dbraw/zinc/31/02/55/587310255.db2.gz HYRQANNSUDYOCW-OAHLLOKOSA-N 0 3 227.307 2.450 20 30 BEEDHN C=C(CN(C)C)C(=O)N[C@H](CC)c1ccccc1 ZINC000840494239 587311056 /nfs/dbraw/zinc/31/10/56/587311056.db2.gz UDXQZPXQEGUMEM-CQSZACIVSA-N 0 3 246.354 2.372 20 30 BEEDHN C#CCN(CCN(C)Cc1ccccc1)C1CC1 ZINC000828890755 587469076 /nfs/dbraw/zinc/46/90/76/587469076.db2.gz DDNAPLARFQNHST-UHFFFAOYSA-N 0 3 242.366 2.216 20 30 BEEDHN C#C[C@H](NCCCCC=C)[C@@H]1CCCO1 ZINC000828953618 587473752 /nfs/dbraw/zinc/47/37/52/587473752.db2.gz JSHORTSQOSSMKX-STQMWFEESA-N 0 3 207.317 2.113 20 30 BEEDHN CC(C#N)C(=O)N1CC([C@@H]2CCC[C@@H](C)C2)C1 ZINC000829130492 587483791 /nfs/dbraw/zinc/48/37/91/587483791.db2.gz PTTRWACURYWLHA-IJLUTSLNSA-N 0 3 234.343 2.431 20 30 BEEDHN C#CC[C@H]1CCCN(Cc2ccccn2)C1 ZINC000829779407 587515508 /nfs/dbraw/zinc/51/55/08/587515508.db2.gz TZMNURZCLZBWTP-ZDUSSCGKSA-N 0 3 214.312 2.317 20 30 BEEDHN CC(C#N)C(=O)N[C@H](C)c1cc2cnccc2o1 ZINC000829801461 587517510 /nfs/dbraw/zinc/51/75/10/587517510.db2.gz ISKSDULRKNRFJB-RKDXNWHRSA-N 0 3 243.266 2.165 20 30 BEEDHN C#CC[C@H]1CCCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000829809755 587518642 /nfs/dbraw/zinc/51/86/42/587518642.db2.gz GPUINUCCHOYZLY-QWRGUYRKSA-N 0 3 249.276 2.035 20 30 BEEDHN C#CC[C@H]1CCCN(C[C@](C)(O)C(F)(F)F)C1 ZINC000829815219 587519545 /nfs/dbraw/zinc/51/95/45/587519545.db2.gz HKQLBBAJNHTKAF-QWRGUYRKSA-N 0 3 249.276 2.035 20 30 BEEDHN C#CC1CCN(Cc2cc(OC)cc(C)n2)CC1 ZINC000830345712 587546739 /nfs/dbraw/zinc/54/67/39/587546739.db2.gz OLPACAPXISIUDE-UHFFFAOYSA-N 0 3 244.338 2.244 20 30 BEEDHN C#CCN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000830396844 587549317 /nfs/dbraw/zinc/54/93/17/587549317.db2.gz VTHIOEQKDZZUMG-JKSUJKDBSA-N 0 3 243.350 2.078 20 30 BEEDHN C#CCN1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000830396842 587549371 /nfs/dbraw/zinc/54/93/71/587549371.db2.gz VTHIOEQKDZZUMG-HOTGVXAUSA-N 0 3 243.350 2.078 20 30 BEEDHN C=C1CCC(CNC(=O)CN(CC)CC)CC1 ZINC000830997824 587581109 /nfs/dbraw/zinc/58/11/09/587581109.db2.gz CAPDOKXHKNOSTM-UHFFFAOYSA-N 0 3 238.375 2.191 20 30 BEEDHN C=C[C@@H]1OCCC[C@H]1NC/C=C/Cl ZINC000831823574 587633296 /nfs/dbraw/zinc/63/32/96/587633296.db2.gz XAKOVGZETWIJSX-HANDCERCSA-N 0 3 201.697 2.062 20 30 BEEDHN C#CCCCN1CCc2cccc(OC)c2C1 ZINC000831949188 587638150 /nfs/dbraw/zinc/63/81/50/587638150.db2.gz UIZOOQYBOJAMAJ-UHFFFAOYSA-N 0 3 229.323 2.467 20 30 BEEDHN N#Cc1ccc([C@@H](O)CN2CC[C@@H]2C2CC2)cc1 ZINC000834383494 587753866 /nfs/dbraw/zinc/75/38/66/587753866.db2.gz UFZZXIJGMATRBH-CABCVRRESA-N 0 3 242.322 2.076 20 30 BEEDHN C#Cc1cccc(CN[C@@H](C)[C@H]2CCCO2)c1 ZINC000834903796 587770115 /nfs/dbraw/zinc/77/01/15/587770115.db2.gz SEWKYGMAPLXOIZ-SWLSCSKDSA-N 0 3 229.323 2.325 20 30 BEEDHN CC(=Nn1cnnc1)[C@@H]1CCCC[C@H]1C ZINC000834912281 587770184 /nfs/dbraw/zinc/77/01/84/587770184.db2.gz NHUQEWWSNIDMLJ-MWLCHTKSSA-N 0 3 206.293 2.328 20 30 BEEDHN CC(C)CC[C@@H]1CCC(N=NC(=N)N)C1 ZINC000834939346 587771969 /nfs/dbraw/zinc/77/19/69/587771969.db2.gz ZKJSUTYERBQFMM-SECBINFHSA-N 0 3 210.325 2.062 20 30 BEEDHN C=C(CN(C)C)C(=O)N[C@@H](CCC)C(C)(C)C ZINC000836820327 587838624 /nfs/dbraw/zinc/83/86/24/587838624.db2.gz XEEBAEMXRCHODH-LBPRGKRZSA-N 0 3 240.391 2.435 20 30 BEEDHN C=CCON=C([O-])Nc1cccc(C[NH2+]CC)c1 ZINC000841310296 587951080 /nfs/dbraw/zinc/95/10/80/587951080.db2.gz LMSVZAYMCPSJKP-UHFFFAOYSA-N 0 3 249.314 2.035 20 30 BEEDHN C=CCO[N-]C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000841310296 587951082 /nfs/dbraw/zinc/95/10/82/587951082.db2.gz LMSVZAYMCPSJKP-UHFFFAOYSA-N 0 3 249.314 2.035 20 30 BEEDHN COCCCNN=Cc1ccc(N(C)C)cc1C ZINC000841636344 587963918 /nfs/dbraw/zinc/96/39/18/587963918.db2.gz MEMKCBPFLKNNDJ-UHFFFAOYSA-N 0 3 249.358 2.021 20 30 BEEDHN CCCCCCCNCc1cnnn1CC ZINC000841854188 587978589 /nfs/dbraw/zinc/97/85/89/587978589.db2.gz MFRMXKWFUWJWLJ-UHFFFAOYSA-N 0 3 224.352 2.358 20 30 BEEDHN C[C@@H](C[C@@H]1CCOC1)NCC1(C#N)CCC1 ZINC000841899665 587980956 /nfs/dbraw/zinc/98/09/56/587980956.db2.gz XQXVKEVWZHEBNT-RYUDHWBXSA-N 0 3 222.332 2.085 20 30 BEEDHN C[C@H](C[C@@H]1CCOC1)NCC1(C#N)CCC1 ZINC000841899651 587982686 /nfs/dbraw/zinc/98/26/86/587982686.db2.gz XQXVKEVWZHEBNT-NEPJUHHUSA-N 0 3 222.332 2.085 20 30 BEEDHN CC[C@H]1CCCC[C@H]1C=Nn1cnnc1 ZINC000842523141 588032587 /nfs/dbraw/zinc/03/25/87/588032587.db2.gz VELOWIQKTLLCGR-QWRGUYRKSA-N 0 3 206.293 2.328 20 30 BEEDHN C=CCC(C)(C)c1noc([C@]2(F)CCNC2)n1 ZINC000843235602 588095102 /nfs/dbraw/zinc/09/51/02/588095102.db2.gz SNQWCHLYUNXPLZ-LBPRGKRZSA-N 0 3 239.294 2.081 20 30 BEEDHN CCCCCCCN1CCNC[C@H]1C(F)F ZINC000843385770 588105455 /nfs/dbraw/zinc/10/54/55/588105455.db2.gz RIHXHMPVANGWKG-NSHDSACASA-N 0 3 234.334 2.496 20 30 BEEDHN C#CC[C@@H]1CCCN(Cc2c(C)n[nH]c2C)C1 ZINC000843423686 588108002 /nfs/dbraw/zinc/10/80/02/588108002.db2.gz IDYOBQIEIIGFLD-CYBMUJFWSA-N 0 3 231.343 2.262 20 30 BEEDHN C#CC1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000843428782 588108891 /nfs/dbraw/zinc/10/88/91/588108891.db2.gz NYVXJPFEYHWYQJ-UHFFFAOYSA-N 0 3 249.383 2.054 20 30 BEEDHN C#CC(C)(C)N(C)Cc1ccc2nonc2c1 ZINC000846873607 588294849 /nfs/dbraw/zinc/29/48/49/588294849.db2.gz CXUVTBHAOCKUOD-UHFFFAOYSA-N 0 3 229.283 2.066 20 30 BEEDHN C#C[C@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000847019450 588302030 /nfs/dbraw/zinc/30/20/30/588302030.db2.gz QMAFIGOOSVCIPH-LBPRGKRZSA-N 0 3 218.300 2.137 20 30 BEEDHN C#C[C@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000847019572 588302313 /nfs/dbraw/zinc/30/23/13/588302313.db2.gz RRDAVVGCPJWWCZ-LBPRGKRZSA-N 0 3 218.300 2.137 20 30 BEEDHN C#C[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000847019531 588302403 /nfs/dbraw/zinc/30/24/03/588302403.db2.gz RCMZFWXCLWZHIT-SECBINFHSA-N 0 3 205.223 2.284 20 30 BEEDHN C#C[C@H]1CCCN(CCc2c(C)noc2C)C1 ZINC000847021350 588302552 /nfs/dbraw/zinc/30/25/52/588302552.db2.gz JUVQSOOLCKCRIS-ZDUSSCGKSA-N 0 3 232.327 2.179 20 30 BEEDHN 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BEEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C(C)C)C1CC1 ZINC000876973417 590262958 /nfs/dbraw/zinc/26/29/58/590262958.db2.gz FXAMRZQGWDKTBI-QWRGUYRKSA-N 0 3 244.766 2.007 20 30 BEEDHN C[C@H](CCC#N)C[NH2+]Cc1ccccc1[O-] ZINC000876995122 590266680 /nfs/dbraw/zinc/26/66/80/590266680.db2.gz APJIYYWPCSNBJR-LLVKDONJSA-N 0 3 218.300 2.422 20 30 BEEDHN C=CC[C@@H](C)NCc1ccc(Cl)nn1 ZINC000877035333 590272331 /nfs/dbraw/zinc/27/23/31/590272331.db2.gz FFKKKAFHXZOJTQ-MRVPVSSYSA-N 0 3 211.696 2.184 20 30 BEEDHN COc1ccc([O-])c(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000877036851 590272490 /nfs/dbraw/zinc/27/24/90/590272490.db2.gz SUZPMJSJVPRYTH-LLVKDONJSA-N 0 3 248.326 2.430 20 30 BEEDHN C#CCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877069809 590277270 /nfs/dbraw/zinc/27/72/70/590277270.db2.gz FYMJGQBBOJTJCP-UHFFFAOYSA-N 0 3 203.285 2.204 20 30 BEEDHN C=C(C)COCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877089974 590280752 /nfs/dbraw/zinc/28/07/52/590280752.db2.gz VMHAYNFIJZJVNK-UHFFFAOYSA-N 0 3 235.327 2.383 20 30 BEEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CC1CCC1 ZINC000877204826 590301204 /nfs/dbraw/zinc/30/12/04/590301204.db2.gz PUUIPNFVVGZVLE-GXSJLCMTSA-N 0 3 244.766 2.151 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)CC(C)C ZINC000877304367 590310508 /nfs/dbraw/zinc/31/05/08/590310508.db2.gz ZCIALFDAZZZEFE-LBPRGKRZSA-N 0 3 240.391 2.468 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@@H](C)NC1CC1 ZINC000877304207 590310680 /nfs/dbraw/zinc/31/06/80/590310680.db2.gz VKLBIYINOQZGTR-LLVKDONJSA-N 0 3 238.375 2.236 20 30 BEEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000877303369 590310892 /nfs/dbraw/zinc/31/08/92/590310892.db2.gz DRNZMMFIXOXSCU-RYUDHWBXSA-N 0 3 240.391 2.468 20 30 BEEDHN N#Cc1cccc(CNC23CCC(CC2)C3)n1 ZINC000877308031 590311671 /nfs/dbraw/zinc/31/16/71/590311671.db2.gz BHOJKLZERCLTPO-UHFFFAOYSA-N 0 3 227.311 2.376 20 30 BEEDHN C#CCCCCCCN[C@@H](C)c1ncnn1C ZINC000877468657 590333836 /nfs/dbraw/zinc/33/38/36/590333836.db2.gz MAWNNMGZCQHRFI-LBPRGKRZSA-N 0 3 234.347 2.049 20 30 BEEDHN CC1(C)CC[C@H]1NCc1cccc(C#N)n1 ZINC000877522140 590346812 /nfs/dbraw/zinc/34/68/12/590346812.db2.gz NIIFMPCVYCUMIM-GFCCVEGCSA-N 0 3 215.300 2.231 20 30 BEEDHN C#C[C@H](N[C@H](C)Cc1cnccn1)C(C)(C)C ZINC000877535132 590350455 /nfs/dbraw/zinc/35/04/55/590350455.db2.gz WDKYMDYYFITFLC-YPMHNXCESA-N 0 3 231.343 2.045 20 30 BEEDHN Cc1cc(CNC2CSC2)ccc1C#N ZINC000877634787 590372779 /nfs/dbraw/zinc/37/27/79/590372779.db2.gz UGSMJVUNDCFRKQ-UHFFFAOYSA-N 0 3 218.325 2.072 20 30 BEEDHN N#CC1(c2ccc(CNC3CSC3)cc2)CC1 ZINC000877634393 590379899 /nfs/dbraw/zinc/37/98/99/590379899.db2.gz OIJOLUCULMBHDD-UHFFFAOYSA-N 0 3 244.363 2.447 20 30 BEEDHN CN(C)c1ccc(C#N)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000877651182 590384815 /nfs/dbraw/zinc/38/48/15/590384815.db2.gz WJNAPWWQVOAJNB-BETUJISGSA-N 0 3 241.338 2.076 20 30 BEEDHN C#Cc1ccc(CN2C[C@@H](O)CC(C)(C)C2)cc1 ZINC000877751584 590416008 /nfs/dbraw/zinc/41/60/08/590416008.db2.gz HHXHCDGIVBQVHL-HNNXBMFYSA-N 0 3 243.350 2.261 20 30 BEEDHN CC1(C)C[C@@H](O)CN(Cc2ccc(C#N)cc2)C1 ZINC000877752659 590416027 /nfs/dbraw/zinc/41/60/27/590416027.db2.gz HAIIRBRYPBYCFY-CQSZACIVSA-N 0 3 244.338 2.151 20 30 BEEDHN CC(C)[C@H](O)CCN(C)Cc1ccc(C#N)cc1 ZINC000877917219 590446562 /nfs/dbraw/zinc/44/65/62/590446562.db2.gz RATJYDOXUVCFBG-OAHLLOKOSA-N 0 3 246.354 2.397 20 30 BEEDHN C=CC[C@H](C)N1CCCN(C(=O)C(C)C)CC1 ZINC000878046298 590480355 /nfs/dbraw/zinc/48/03/55/590480355.db2.gz WABYOTNRLYYDOB-ZDUSSCGKSA-N 0 3 238.375 2.141 20 30 BEEDHN C=CC[C@H](C)N(C)Cc1cnn(CC)c1 ZINC000878106284 590494795 /nfs/dbraw/zinc/49/47/95/590494795.db2.gz GHVDHPKPOWSAJN-NSHDSACASA-N 0 3 207.321 2.299 20 30 BEEDHN CC(C)CN(CCC#N)C[C@H]1CCO[C@@H]1C ZINC000878122460 590500755 /nfs/dbraw/zinc/50/07/55/590500755.db2.gz ZVUFJYKWGICGJQ-CHWSQXEVSA-N 0 3 224.348 2.283 20 30 BEEDHN C=CC[C@@H](C(=O)OC)N1CC[C@H](C(C)C)C1 ZINC000878182631 590518019 /nfs/dbraw/zinc/51/80/19/590518019.db2.gz OVIVGHHXMRJWIH-RYUDHWBXSA-N 0 3 225.332 2.082 20 30 BEEDHN CC(C)[C@H](C#N)N1CCN(CCCC2CC2)CC1 ZINC000878310817 590541178 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BSGNSOXBTBEGPT-ZDUSSCGKSA-N 0 3 239.359 2.080 20 30 BEEDHN C#C[C@@H](C)N(C)Cc1cccc2c1CCOC2 ZINC000878516188 590584751 /nfs/dbraw/zinc/58/47/51/590584751.db2.gz ANTUDEXWPWWFCO-GFCCVEGCSA-N 0 3 229.323 2.213 20 30 BEEDHN C#C[C@H](C)N(C)Cc1cccc2c1CCOC2 ZINC000878516189 590584900 /nfs/dbraw/zinc/58/49/00/590584900.db2.gz ANTUDEXWPWWFCO-LBPRGKRZSA-N 0 3 229.323 2.213 20 30 BEEDHN C#C[C@@H](C)N(C)C[C@@H]1CCC(C)(C)CO1 ZINC000878518044 590585607 /nfs/dbraw/zinc/58/56/07/590585607.db2.gz ZNTFMYJXWKKVCQ-NEPJUHHUSA-N 0 3 209.333 2.145 20 30 BEEDHN C=CC[C@H](C(=O)OC)N(CC)CC1CCC1 ZINC000878542622 590589515 /nfs/dbraw/zinc/58/95/15/590589515.db2.gz OSMKXZYEZNUXQN-GFCCVEGCSA-N 0 3 225.332 2.226 20 30 BEEDHN C=CC[C@H](C(=O)OC)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000878675217 590607758 /nfs/dbraw/zinc/60/77/58/590607758.db2.gz MURBDBHCSADJHJ-FRRDWIJNSA-N 0 3 237.343 2.226 20 30 BEEDHN C=CC[C@H](C)N1CCN(c2ccnc(F)c2)CC1 ZINC000878678882 590608794 /nfs/dbraw/zinc/60/87/94/590608794.db2.gz NEBSFWOETQHBFR-LBPRGKRZSA-N 0 3 249.333 2.307 20 30 BEEDHN C=CC[C@H](C(=O)OC)N1CC(C)(C)C[C@H]1C ZINC000878710909 590613701 /nfs/dbraw/zinc/61/37/01/590613701.db2.gz JWBUCWQUYRKWTJ-GHMZBOCLSA-N 0 3 225.332 2.225 20 30 BEEDHN C=CC[C@H](C)N1CCO[C@@]2(CCSC2)C1 ZINC000878758252 590618637 /nfs/dbraw/zinc/61/86/37/590618637.db2.gz ICIAGCZOKODFQU-RYUDHWBXSA-N 0 3 227.373 2.159 20 30 BEEDHN C[C@H]1CCCN(Cc2ccc(C#N)o2)[C@@H]1CCO ZINC000878920329 590651125 /nfs/dbraw/zinc/65/11/25/590651125.db2.gz QKOGDUVDNGOWIB-SMDDNHRTSA-N 0 3 248.326 2.134 20 30 BEEDHN C=CC[C@H](C)N1CCc2c(cccc2C(N)=O)C1 ZINC000879000412 590673781 /nfs/dbraw/zinc/67/37/81/590673781.db2.gz RTDJYWXPNWTUIF-NSHDSACASA-N 0 3 244.338 2.108 20 30 BEEDHN CC1(C)[C@H]2[C@H](CCCN2CC2(CC#N)CC2)[C@@H]1O ZINC000879131734 590700667 /nfs/dbraw/zinc/70/06/67/590700667.db2.gz GCQYIWBGVSBMNU-XQQFMLRXSA-N 0 3 248.370 2.162 20 30 BEEDHN C=CC[C@@H](C)N1CCO[C@H](C(F)F)CC1 ZINC000879303503 590729704 /nfs/dbraw/zinc/72/97/04/590729704.db2.gz BZZOOAUQRYXNCZ-ZJUUUORDSA-N 0 3 219.275 2.307 20 30 BEEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)C1CC1 ZINC000879527959 590789425 /nfs/dbraw/zinc/78/94/25/590789425.db2.gz GHLHKGLTKQVXIU-UHFFFAOYSA-N 0 3 238.375 2.141 20 30 BEEDHN N#CCC[C@@H](C#N)CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528272 590790215 /nfs/dbraw/zinc/79/02/15/590790215.db2.gz RFMOMFDHCBDSJI-MELADBBJSA-N 0 3 229.327 2.328 20 30 BEEDHN C=CC(C)(C)CC(=O)NCCN1CCC[C@H]1C ZINC000879536110 590796471 /nfs/dbraw/zinc/79/64/71/590796471.db2.gz IBNMADJZAWRQEO-GFCCVEGCSA-N 0 3 238.375 2.189 20 30 BEEDHN C#CCOCCN1CCC[C@H]1c1cncc(C)c1 ZINC000879752217 590863087 /nfs/dbraw/zinc/86/30/87/590863087.db2.gz NWIBGIPCHKGXSL-HNNXBMFYSA-N 0 3 244.338 2.177 20 30 BEEDHN C=CCOCCN1CC[C@](C)(C(F)(F)F)C1 ZINC000880003255 590907489 /nfs/dbraw/zinc/90/74/89/590907489.db2.gz CLBQJUXRYSWBQL-JTQLQIEISA-N 0 3 237.265 2.463 20 30 BEEDHN C#CCCN1CCc2ccc(NC(C)=O)cc2C1 ZINC000880031406 590912652 /nfs/dbraw/zinc/91/26/52/590912652.db2.gz OSOBMWICAWPXCY-UHFFFAOYSA-N 0 3 242.322 2.026 20 30 BEEDHN C=C(C)CN[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880225795 590960468 /nfs/dbraw/zinc/96/04/68/590960468.db2.gz XFGNCHSZYWFWOV-OKILXGFUSA-N 0 3 217.312 2.202 20 30 BEEDHN CC#CCCN1CCN(c2ccncc2)[C@@H](C)C1 ZINC000880260072 590980631 /nfs/dbraw/zinc/98/06/31/590980631.db2.gz NBCCEVCXDMNXQS-AWEZNQCLSA-N 0 3 243.354 2.006 20 30 BEEDHN C[C@@H]1CC[C@H](CO)N1CC#Cc1ccc(F)cc1 ZINC000880441809 591043549 /nfs/dbraw/zinc/04/35/49/591043549.db2.gz HVCBVPOBRHLYDB-IUODEOHRSA-N 0 3 247.313 2.022 20 30 BEEDHN N#CCCCN1CCC2(CCCCO2)CC1 ZINC000880455123 591049081 /nfs/dbraw/zinc/04/90/81/591049081.db2.gz UGWMXRPZSCYEAT-UHFFFAOYSA-N 0 3 222.332 2.325 20 30 BEEDHN CC(C)c1c[nH]c(CNCCCCC#N)n1 ZINC000882979431 591490847 /nfs/dbraw/zinc/49/08/47/591490847.db2.gz ZWKWCGCAHLHZKZ-UHFFFAOYSA-N 0 3 220.320 2.317 20 30 BEEDHN C=CCC[C@@H](NCCF)[C@H]1CCCO1 ZINC000883221327 591576341 /nfs/dbraw/zinc/57/63/41/591576341.db2.gz YZQOEZAINMSBTI-GHMZBOCLSA-N 0 3 201.285 2.059 20 30 BEEDHN C=CCN(CC=C)C(=O)c1ccc2c(c1)CNC2 ZINC000130998178 591541150 /nfs/dbraw/zinc/54/11/50/591541150.db2.gz PFHVGRCLDSWXEJ-UHFFFAOYSA-N 0 3 242.322 2.104 20 30 BEEDHN C#Cc1ccc(CN[C@@H]2CO[C@@H](CC)C2)cc1 ZINC000883132495 591546987 /nfs/dbraw/zinc/54/69/87/591546987.db2.gz SWFAABSZMDAJLW-GJZGRUSLSA-N 0 3 229.323 2.325 20 30 BEEDHN C=CCC[C@@H](NCc1nccn1C)[C@H]1CCCO1 ZINC000883184782 591565187 /nfs/dbraw/zinc/56/51/87/591565187.db2.gz FNJCDCKNQNEYKF-CHWSQXEVSA-N 0 3 249.358 2.024 20 30 BEEDHN C=CCC[C@H](NCc1cc[nH]n1)[C@@H]1CCCO1 ZINC000883187449 591566355 /nfs/dbraw/zinc/56/63/55/591566355.db2.gz OHOGFKZMODVYER-STQMWFEESA-N 0 3 235.331 2.013 20 30 BEEDHN C=CCC[C@@H](NCc1cc(C)n[nH]1)[C@@H]1CCCO1 ZINC000883190624 591568397 /nfs/dbraw/zinc/56/83/97/591568397.db2.gz IVKVHYGRLHGEDD-KGLIPLIRSA-N 0 3 249.358 2.322 20 30 BEEDHN C#CC1(NCc2cccn2C)CCCC1 ZINC000883362795 591631054 /nfs/dbraw/zinc/63/10/54/591631054.db2.gz NXBYOSLCADHCKX-UHFFFAOYSA-N 0 3 202.301 2.061 20 30 BEEDHN 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