smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cncc(-n2c(CCCO)nc3ccccc32)c1 ZINC000065419887 802379744 /nfs/dbraw/zinc/37/97/44/802379744.db2.gz FDEPRGXQYQUOFU-UHFFFAOYSA-N 0 0 283.331 2.354 50 0 CEAARN CCSc1ccccc1NC(=O)CCS(C)(=O)=O ZINC000079027566 802964677 /nfs/dbraw/zinc/96/46/77/802964677.db2.gz HREGANOLHCGNAT-UHFFFAOYSA-N 0 0 287.406 2.172 50 0 CEAARN OCC(CO)c1ccc(OCc2ccccc2)cc1 ZINC000146196598 803037983 /nfs/dbraw/zinc/03/79/83/803037983.db2.gz ZBZPRBDFDOSTDK-UHFFFAOYSA-N 0 0 258.317 2.334 50 0 CEAARN Cc1cnc(CCNC(=O)c2cnccc2C)n1CC1CC1 ZINC000581817136 803549830 /nfs/dbraw/zinc/54/98/30/803549830.db2.gz SHZJWPNTTBUKNX-UHFFFAOYSA-N 0 0 298.390 2.277 50 0 CEAARN Cc1cc(N2CCC[C@H](C)[C@H]2CO)nc(-c2ccccn2)n1 ZINC000585092161 804716747 /nfs/dbraw/zinc/71/67/47/804716747.db2.gz HPLLXNVXRNNFSH-SWLSCSKDSA-N 0 0 298.390 2.444 50 0 CEAARN CC(C)CO[C@@H](C)C(=O)Nc1c[nH]nc1Br ZINC000585130013 804727094 /nfs/dbraw/zinc/72/70/94/804727094.db2.gz FFNJPHPIZTWLTG-ZETCQYMHSA-N 0 0 290.161 2.172 50 0 CEAARN CCn1nc(-c2cccc3c2OC(F)(F)O3)nc1N(C)C ZINC000426436566 804825863 /nfs/dbraw/zinc/82/58/63/804825863.db2.gz OEYDPPYWJICXPO-UHFFFAOYSA-N 0 0 296.277 2.353 50 0 CEAARN CC[C@H](C)Cc1nnc(-c2cccc(-n3cnnc3)n2)[nH]1 ZINC000952860394 815071251 /nfs/dbraw/zinc/07/12/51/815071251.db2.gz OTJAZBIVVRPMJK-JTQLQIEISA-N 0 0 283.339 2.036 50 0 CEAARN Cc1nc(Cc2nonc2C)n(CCc2ccccc2)n1 ZINC000952869314 815071705 /nfs/dbraw/zinc/07/17/05/815071705.db2.gz OVLGEYYNFWDLQL-UHFFFAOYSA-N 0 0 283.335 2.111 50 0 CEAARN C[C@H]1OCC[C@H]1n1nnnc1N1CCC2(C1)CCCCC2 ZINC000952878912 815074071 /nfs/dbraw/zinc/07/40/71/815074071.db2.gz KHQIVTZBWFMKSW-CHWSQXEVSA-N 0 0 291.399 2.184 50 0 CEAARN Nc1ncc(-c2cc(F)ccc2OC[C@H]2CCCO2)cn1 ZINC000952878303 815074119 /nfs/dbraw/zinc/07/41/19/815074119.db2.gz CBXNCZGGVOKFSF-GFCCVEGCSA-N 0 0 289.310 2.423 50 0 CEAARN O[C@@H]1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1F ZINC000952975789 815088254 /nfs/dbraw/zinc/08/82/54/815088254.db2.gz UCRMTNOSMHOWOO-ZIAGYGMSSA-N 0 0 295.745 2.040 50 0 CEAARN C[C@@H](CC(N)=O)N(C)Cc1c(Cl)ccc([O-])c1Cl ZINC000952978689 815089677 /nfs/dbraw/zinc/08/96/77/815089677.db2.gz BTYZYFNTMJLEDH-ZETCQYMHSA-N 0 0 291.178 2.395 50 0 CEAARN O=C(C(c1ccccc1)c1ccccc1)N1C[C@@H](O)[C@H](F)C1 ZINC000952982541 815092710 /nfs/dbraw/zinc/09/27/10/815092710.db2.gz XZXUOUGPYYQLKQ-HZPDHXFCSA-N 0 0 299.345 2.360 50 0 CEAARN c1csc(C[N@H+]2CCCN(Cc3c[nH]cn3)CC2)c1 ZINC000952990669 815096384 /nfs/dbraw/zinc/09/63/84/815096384.db2.gz ZZAVOSWCPJCEBJ-UHFFFAOYSA-N 0 0 276.409 2.179 50 0 CEAARN Cc1cnc(NCc2cnn(-c3ccc(F)cc3)c2)nc1N ZINC000032560945 807411368 /nfs/dbraw/zinc/41/13/68/807411368.db2.gz DACPRCARVZHBQL-UHFFFAOYSA-N 0 0 298.325 2.304 50 0 CEAARN COc1cc(-c2ccc(C(=O)N3CCCC3)cc2)ncn1 ZINC000032581054 807440120 /nfs/dbraw/zinc/44/01/20/807440120.db2.gz DNVLLEKKDBQYQX-UHFFFAOYSA-N 0 0 283.331 2.388 50 0 CEAARN Cc1ccc(CC(=O)N2CCCCC[C@H]2CCO)cn1 ZINC000356807313 808825658 /nfs/dbraw/zinc/82/56/58/808825658.db2.gz KONFMJVHFWMIKS-HNNXBMFYSA-N 0 0 276.380 2.086 50 0 CEAARN C[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000534634130 809685960 /nfs/dbraw/zinc/68/59/60/809685960.db2.gz JQXAYOPGMDIMOW-AWEZNQCLSA-N 0 0 291.376 2.378 50 0 CEAARN Cc1cccc(-c2ncc(CNCC(=O)NC(C)C)cn2)c1 ZINC000063882590 810179450 /nfs/dbraw/zinc/17/94/50/810179450.db2.gz IEEDZIIMYUMRFI-UHFFFAOYSA-N 0 0 298.390 2.066 50 0 CEAARN C[C@H](Cn1cncn1)c1ncnn1C1Cc2ccccc2C1 ZINC000822280137 810580706 /nfs/dbraw/zinc/58/07/06/810580706.db2.gz FLSNEIUOGYAKKN-GFCCVEGCSA-N 0 0 294.362 2.013 50 0 CEAARN C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2ccnn2C)cc1 ZINC000822376035 810582553 /nfs/dbraw/zinc/58/25/53/810582553.db2.gz BIZSFRQNDGBMGY-NSHDSACASA-N 0 0 298.346 2.188 50 0 CEAARN CCn1ccc(-c2nc(C)nn2-c2cc(C)ccn2)cc1=O ZINC000823587885 810618536 /nfs/dbraw/zinc/61/85/36/810618536.db2.gz NHAXPKYYQKLNHX-UHFFFAOYSA-N 0 0 295.346 2.128 50 0 CEAARN CCc1nccn1CCC(=O)NCCc1cccc(F)c1 ZINC000823557611 810619706 /nfs/dbraw/zinc/61/97/06/810619706.db2.gz XVROLHGXIDBXJE-UHFFFAOYSA-N 0 0 289.354 2.334 50 0 CEAARN COCC1(CNC(=O)C[C@H]2CC2(F)F)CCCC1 ZINC000824349355 810699763 /nfs/dbraw/zinc/69/97/63/810699763.db2.gz FFDJVEXTRVZFOM-JTQLQIEISA-N 0 0 261.312 2.355 50 0 CEAARN COc1ccc(Nc2nc(C)nc3c2CCC3)cn1 ZINC000824747826 810705697 /nfs/dbraw/zinc/70/56/97/810705697.db2.gz HGFJIJOIRDQUML-UHFFFAOYSA-N 0 0 256.309 2.421 50 0 CEAARN COc1cccc(C)c1C(=O)NCC1(O)CCCCC1 ZINC000824795726 810706062 /nfs/dbraw/zinc/70/60/62/810706062.db2.gz WQTSRHNKVNBNSD-UHFFFAOYSA-N 0 0 277.364 2.429 50 0 CEAARN COc1nn(C)cc1C(=O)N1CC[C@@H](c2cccs2)C1 ZINC000824857052 810708256 /nfs/dbraw/zinc/70/82/56/810708256.db2.gz RTHZSXHZHOABAT-SNVBAGLBSA-N 0 0 291.376 2.120 50 0 CEAARN COc1nc(NCCCn2nc(C)c(C)c2C)ncc1F ZINC000824845818 810709063 /nfs/dbraw/zinc/70/90/63/810709063.db2.gz OSTWVSSZEJZXIP-UHFFFAOYSA-N 0 0 293.346 2.248 50 0 CEAARN Cc1cc(C)n(CCCc2nc(C)nn2-c2cccnc2)n1 ZINC000825291995 810716389 /nfs/dbraw/zinc/71/63/89/810716389.db2.gz HEFHXUVCLUHOIO-UHFFFAOYSA-N 0 0 296.378 2.417 50 0 CEAARN CCn1nccc1NC(=O)c1nc2cc(F)ccc2[nH]1 ZINC000019226347 810725646 /nfs/dbraw/zinc/72/56/46/810725646.db2.gz RISANTQDADQYEG-UHFFFAOYSA-N 0 0 273.271 2.171 50 0 CEAARN CC[C@](O)(CCCO)CNc1ncccc1C(F)(F)F ZINC000828747903 810839401 /nfs/dbraw/zinc/83/94/01/810839401.db2.gz SPKLNSUKSWKYSV-LBPRGKRZSA-N 0 0 292.301 2.426 50 0 CEAARN Cc1nc(CCCc2ccc(Cl)cc2)n(CCO)n1 ZINC000828777050 810839935 /nfs/dbraw/zinc/83/99/35/810839935.db2.gz WPSDZCDPPHGJRO-UHFFFAOYSA-N 0 0 279.771 2.408 50 0 CEAARN COc1ccc(C(=O)N2CC[C@H](OCC3CC3)C2)cc1 ZINC000581785093 811161430 /nfs/dbraw/zinc/16/14/30/811161430.db2.gz CGQDZOWFAZFTLY-HNNXBMFYSA-N 0 0 275.348 2.336 50 0 CEAARN Cc1cnc(CCNC(=O)COc2ccccc2)n1C1CC1 ZINC000581815523 811166592 /nfs/dbraw/zinc/16/65/92/811166592.db2.gz MAMKMGZMZKWPFP-UHFFFAOYSA-N 0 0 299.374 2.264 50 0 CEAARN CCn1cnnc1C[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000581818781 811166722 /nfs/dbraw/zinc/16/67/22/811166722.db2.gz YHULGXYMHBYUJS-ZDUSSCGKSA-N 0 0 278.400 2.125 50 0 CEAARN CCCc1cnc(C)nc1NC[C@@H](O)c1cccnc1 ZINC000065469120 811219484 /nfs/dbraw/zinc/21/94/84/811219484.db2.gz DZXKERFNINSCLS-CQSZACIVSA-N 0 0 272.352 2.278 50 0 CEAARN COc1cccc(CNC(=O)c2csc(C)n2)c1OC ZINC000049308215 811669698 /nfs/dbraw/zinc/66/96/98/811669698.db2.gz BTXYGGSLQIOASW-UHFFFAOYSA-N 0 0 292.360 2.399 50 0 CEAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)Cc1cccnc1 ZINC000067472717 813103516 /nfs/dbraw/zinc/10/35/16/813103516.db2.gz BAEUSUZITRTVJB-UHFFFAOYSA-N 0 0 286.379 2.055 50 0 CEAARN c1nc([C@H]2c3[nH]cnc3CCN2CCc2ccccc2)c[nH]1 ZINC000072144714 813263979 /nfs/dbraw/zinc/26/39/79/813263979.db2.gz NSMDYWRZKIOBGD-KRWDZBQOSA-N 0 0 293.374 2.323 50 0 CEAARN c1nc([C@@H]2c3[nH]cnc3CCN2CCc2ccccc2)c[nH]1 ZINC000072144716 813264084 /nfs/dbraw/zinc/26/40/84/813264084.db2.gz NSMDYWRZKIOBGD-QGZVFWFLSA-N 0 0 293.374 2.323 50 0 CEAARN O=C(c1cnn2ncccc12)N1CCCCCCC1 ZINC000584908612 813615989 /nfs/dbraw/zinc/61/59/89/813615989.db2.gz HMYVCPCTCDJUOK-UHFFFAOYSA-N 0 0 258.325 2.136 50 0 CEAARN C[C@H](NCc1noc2c1CCCC2)C(=O)OC(C)(C)C ZINC000585082967 813662245 /nfs/dbraw/zinc/66/22/45/813662245.db2.gz PRWTYQYWJDICRU-JTQLQIEISA-N 0 0 280.368 2.373 50 0 CEAARN Cc1[nH]nc(C2CC2)c1C(=O)N1C[C@@H](C)[C@](O)(C(C)C)C1 ZINC000219587479 813667368 /nfs/dbraw/zinc/66/73/68/813667368.db2.gz MAPYIABSMQLQLI-QLJPJBMISA-N 0 0 291.395 2.075 50 0 CEAARN C[C@@H](N[C@@H](C)c1ncn(C)n1)[C@@H](C)OCc1ccccc1 ZINC000585093622 813674176 /nfs/dbraw/zinc/67/41/76/813674176.db2.gz PFKQFEHWBKDGDY-HZSPNIEDSA-N 0 0 288.395 2.460 50 0 CEAARN c1cnc2nc(N3CCS[C@H]4CC[C@H]43)ccc2n1 ZINC000585098863 813674305 /nfs/dbraw/zinc/67/43/05/813674305.db2.gz KWMUPXMLJRINFF-MNOVXSKESA-N 0 0 258.350 2.109 50 0 CEAARN C=CC(=O)NC[C@H]1CCCC[C@H]1OCC(F)(F)F ZINC000585091391 813674396 /nfs/dbraw/zinc/67/43/96/813674396.db2.gz PHDVCMRSFBTCJL-NXEZZACHSA-N 0 0 265.275 2.426 50 0 CEAARN CC1(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)CC(=O)C1 ZINC000585107078 813676829 /nfs/dbraw/zinc/67/68/29/813676829.db2.gz MFKJDSJEALNARF-QGZVFWFLSA-N 0 0 287.359 2.130 50 0 CEAARN CCOc1cccc(CNC(=O)CNc2ccccn2)c1 ZINC000585121709 813685207 /nfs/dbraw/zinc/68/52/07/813685207.db2.gz XBIHQYYMVQDTTB-UHFFFAOYSA-N 0 0 285.347 2.209 50 0 CEAARN CCCCN(C)c1ccc(C(=O)N2CC([C@@H](C)O)C2)cc1 ZINC000585128277 813693117 /nfs/dbraw/zinc/69/31/17/813693117.db2.gz XRRUAUXZOODBHW-CYBMUJFWSA-N 0 0 290.407 2.376 50 0 CEAARN Cn1cncc1C(=O)N1C[C@]2(C)CC[C@@H](C2)C1(C)C ZINC000585128537 813693857 /nfs/dbraw/zinc/69/38/57/813693857.db2.gz DZVBKARWEVNRAK-XHDPSFHLSA-N 0 0 261.369 2.461 50 0 CEAARN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC(=O)N[C@H](C)C2)CC(C)(C)C1 ZINC000585131237 813696315 /nfs/dbraw/zinc/69/63/15/813696315.db2.gz PQUVPRKUGRWIAO-MQYQWHSLSA-N 0 0 294.439 2.480 50 0 CEAARN C[C@@H]1C[C@@H](C(=O)N[C@H](CO)c2cncn2C)CC(C)(C)C1 ZINC000585131410 813696372 /nfs/dbraw/zinc/69/63/72/813696372.db2.gz VJGQMRVUNBNDMR-JHJVBQTASA-N 0 0 293.411 2.032 50 0 CEAARN C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCC(=O)O2)CC(C)(C)C1 ZINC000585130962 813696617 /nfs/dbraw/zinc/69/66/17/813696617.db2.gz HAMSGVQGHMKOCY-UTUOFQBUSA-N 0 0 267.369 2.271 50 0 CEAARN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC(=O)O2)CC(C)(C)C1 ZINC000585130963 813696692 /nfs/dbraw/zinc/69/66/92/813696692.db2.gz HAMSGVQGHMKOCY-WOPDTQHZSA-N 0 0 267.369 2.271 50 0 CEAARN C[C@H](O)CCCCCC(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000585132537 813697703 /nfs/dbraw/zinc/69/77/03/813697703.db2.gz ZBUMFLWXBQFHQD-UONOGXRCSA-N 0 0 285.428 2.327 50 0 CEAARN Cc1ccc(-c2noc([C@H]3CCCN3C=O)n2)cc1 ZINC000585133371 813698087 /nfs/dbraw/zinc/69/80/87/813698087.db2.gz GQOAUFSTUBULEQ-GFCCVEGCSA-N 0 0 257.293 2.338 50 0 CEAARN Cc1c(CNC(=O)c2cncc(Cl)c2Cl)cnn1C ZINC000585132410 813698183 /nfs/dbraw/zinc/69/81/83/813698183.db2.gz VVYQSOOCWLMMCD-UHFFFAOYSA-N 0 0 299.161 2.360 50 0 CEAARN C[C@@H](C(=O)N1CCc2cncnc21)c1c(F)cccc1F ZINC000585137995 813699120 /nfs/dbraw/zinc/69/91/20/813699120.db2.gz GOMUQXSWPTUFHD-SECBINFHSA-N 0 0 289.285 2.448 50 0 CEAARN O=C1CCCN1CCc1nc(-c2ccns2)cs1 ZINC000585137954 813699486 /nfs/dbraw/zinc/69/94/86/813699486.db2.gz CYRLSDBIWMMFTJ-UHFFFAOYSA-N 0 0 279.390 2.432 50 0 CEAARN Cc1scc(C(=O)N[C@@H](CO)Cc2cncs2)c1C ZINC000585135312 813699608 /nfs/dbraw/zinc/69/96/08/813699608.db2.gz BDESKKIGBNIBLA-SNVBAGLBSA-N 0 0 296.417 2.155 50 0 CEAARN CC(C)(C)OC(=O)NC/C=C/C(=O)NCc1cccs1 ZINC000585135657 813699730 /nfs/dbraw/zinc/69/97/30/813699730.db2.gz UYBAYTCXRJUSLI-QPJJXVBHSA-N 0 0 296.392 2.445 50 0 CEAARN Cc1csc(C(=O)N2CC[C@H](Oc3cnsn3)C2)c1 ZINC000670771033 814552448 /nfs/dbraw/zinc/55/24/48/814552448.db2.gz BCILZHXLPDCCBB-VIFPVBQESA-N 0 0 295.389 2.202 50 0 CEAARN CCNC(=O)c1ccc(C)c(NCc2cocn2)c1 ZINC000192328402 814638413 /nfs/dbraw/zinc/63/84/13/814638413.db2.gz VLHBKXFPQQBSFS-UHFFFAOYSA-N 0 0 259.309 2.345 50 0 CEAARN O=C1CC[C@H](COc2ncc(C(F)(F)F)cc2Cl)N1 ZINC000585651005 814639371 /nfs/dbraw/zinc/63/93/71/814639371.db2.gz IEPJBMJUMSMAIS-SSDOTTSWSA-N 0 0 294.660 2.411 50 0 CEAARN O=C(NCCOCC1CC1)N1CCC[C@H]2CCC[C@@H]21 ZINC000096440036 230372523 /nfs/dbraw/zinc/37/25/23/230372523.db2.gz YQKUYRUKSPRNLW-KGLIPLIRSA-N 0 0 266.385 2.387 50 0 CEAARN C[C@H](CCOc1ccccc1)C(=O)NC[C@@H]1CCOC1 ZINC000096443658 230373905 /nfs/dbraw/zinc/37/39/05/230373905.db2.gz MXDQNUFGTLRRML-KGLIPLIRSA-N 0 0 277.364 2.244 50 0 CEAARN COC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1 ZINC000096448266 230375350 /nfs/dbraw/zinc/37/53/50/230375350.db2.gz NRKIMYVXWNWWMG-VXGBXAGGSA-N 0 0 262.309 2.150 50 0 CEAARN C[C@](O)(CNC(=O)[C@@H]1CC1(Cl)Cl)c1ccsc1 ZINC000096450396 230375623 /nfs/dbraw/zinc/37/56/23/230375623.db2.gz XVXOMPKVGRFPSH-WPRPVWTQSA-N 0 0 294.203 2.266 50 0 CEAARN Cc1cc(N2CC[C@@]3(CCOC3)C2)nc(C2CC2)n1 ZINC000096462126 230378008 /nfs/dbraw/zinc/37/80/08/230378008.db2.gz LREZILGMUBNPRH-OAHLLOKOSA-N 0 0 259.353 2.279 50 0 CEAARN COCCC1(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CCC1 ZINC000096472544 230379121 /nfs/dbraw/zinc/37/91/21/230379121.db2.gz RYDNZKYLEDKSNW-UPJWGTAASA-N 0 0 281.396 2.123 50 0 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C[C@@H]1C[C@H](C(=O)OCc2ccc3c(c2)OCO3)CCC1=O ZINC000095461497 364386516 /nfs/dbraw/zinc/38/65/16/364386516.db2.gz OTTSVVZWSBCXCU-ZYHUDNBSSA-N 0 0 290.315 2.464 50 0 CEAARN C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1ccon1 ZINC000095462252 364386677 /nfs/dbraw/zinc/38/66/77/364386677.db2.gz HOQCNQCAUQLSRB-VIFPVBQESA-N 0 0 289.291 2.329 50 0 CEAARN CCc1cccc(NC(=O)C(=O)N(C)Cc2cccnc2)c1 ZINC000095461136 364386872 /nfs/dbraw/zinc/38/68/72/364386872.db2.gz NLEMUELXXHDERV-UHFFFAOYSA-N 0 0 297.358 2.241 50 0 CEAARN Cc1occc1C(=O)NC[C@H]1COC2(CCCCC2)O1 ZINC000095463120 364387318 /nfs/dbraw/zinc/38/73/18/364387318.db2.gz YFXOGFRLHYQHJG-LBPRGKRZSA-N 0 0 279.336 2.394 50 0 CEAARN Cc1nc(CN(C)C(=O)Nc2ccc(F)cc2)no1 ZINC000095467270 364388708 /nfs/dbraw/zinc/38/87/08/364388708.db2.gz FKJQLKYSGIKZLA-UHFFFAOYSA-N 0 0 264.260 2.181 50 0 CEAARN CCCOCCNc1nc2c(s1)c(C)nn2C ZINC000095499285 364392026 /nfs/dbraw/zinc/39/20/26/364392026.db2.gz MFHGMUGUUDRKAR-UHFFFAOYSA-N 0 0 254.359 2.177 50 0 CEAARN Cc1nn(C)c2nc(N[C@H](C)Cc3cnccn3)sc12 ZINC000095500638 364392074 /nfs/dbraw/zinc/39/20/74/364392074.db2.gz NAEZQBRXLUZQKU-MRVPVSSYSA-N 0 0 288.380 2.171 50 0 CEAARN CCCCc1nc(C)cc(N2CCC[C@H](C(=O)NC)C2)n1 ZINC000096011574 364398519 /nfs/dbraw/zinc/39/85/19/364398519.db2.gz OVZUMHIAVRRROR-ZDUSSCGKSA-N 0 0 290.411 2.090 50 0 CEAARN Fc1ccc(Cn2ncnc2CCCn2cccn2)cc1 ZINC000096152841 364402178 /nfs/dbraw/zinc/40/21/78/364402178.db2.gz XRHSDAMTJRPSLV-UHFFFAOYSA-N 0 0 285.326 2.295 50 0 CEAARN O=C(c1cn[nH]n1)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000096152656 364402188 /nfs/dbraw/zinc/40/21/88/364402188.db2.gz RYEMTGGTIDPYHP-UHFFFAOYSA-N 0 0 281.319 2.091 50 0 CEAARN CN(C)c1ccccc1-c1nc([C@H]2CCOC2)no1 ZINC000096164504 364404775 /nfs/dbraw/zinc/40/47/75/364404775.db2.gz WURWKPOIPIXDOB-JTQLQIEISA-N 0 0 259.309 2.307 50 0 CEAARN Cc1cnc(N2CC(Oc3ccccc3F)C2)nc1 ZINC000095355687 364344701 /nfs/dbraw/zinc/34/47/01/364344701.db2.gz GUKJRGDRYHIBHS-UHFFFAOYSA-N 0 0 259.284 2.192 50 0 CEAARN O=c1c2cccn2cnn1Cc1cncn1C1CCCCC1 ZINC000095367369 364348282 /nfs/dbraw/zinc/34/82/82/364348282.db2.gz JZPWNXKVKQJSDD-UHFFFAOYSA-N 0 0 297.362 2.246 50 0 CEAARN Cn1ccnc1C[N@@H+]1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095379911 364351344 /nfs/dbraw/zinc/35/13/44/364351344.db2.gz KHKPMFDZLTYULB-OAHLLOKOSA-N 0 0 299.374 2.498 50 0 CEAARN Cc1cccc(OC(=O)c2ccn(C)c(=O)c2)c1F ZINC000097055393 364436879 /nfs/dbraw/zinc/43/68/79/364436879.db2.gz BYDYZGMUIOQKPR-UHFFFAOYSA-N 0 0 261.252 2.052 50 0 CEAARN O=C(C[C@@H](O)c1cccc(F)c1)NCC[C@@H]1CCCCO1 ZINC000097080037 364441024 /nfs/dbraw/zinc/44/10/24/364441024.db2.gz AANCXWKTALUCBF-LSDHHAIUSA-N 0 0 295.354 2.325 50 0 CEAARN Cn1cc(C(=O)OCCc2cccc(F)c2F)cn1 ZINC000097081501 364441038 /nfs/dbraw/zinc/44/10/38/364441038.db2.gz IXXLHSBDWTZTSR-UHFFFAOYSA-N 0 0 266.247 2.098 50 0 CEAARN CCO[C@H](C)C(=O)N1CCc2c(cccc2OC)C1 ZINC000097082994 364441868 /nfs/dbraw/zinc/44/18/68/364441868.db2.gz CPMGEVUYWMAMEF-LLVKDONJSA-N 0 0 263.337 2.005 50 0 CEAARN CC(C)N(C)c1cccc(NC(=O)N2CC[C@@H](O)C2)c1 ZINC000097085210 364444903 /nfs/dbraw/zinc/44/49/03/364444903.db2.gz XUGWWOUDXDYBPR-CQSZACIVSA-N 0 0 277.368 2.130 50 0 CEAARN CCCOCC(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000097085138 364445302 /nfs/dbraw/zinc/44/53/02/364445302.db2.gz SFVRMAXBZCXLFB-UHFFFAOYSA-N 0 0 292.379 2.186 50 0 CEAARN CCOC(=O)c1cc(NC(=O)[C@@H](C)c2ccccc2)[nH]n1 ZINC000097097486 364447684 /nfs/dbraw/zinc/44/76/84/364447684.db2.gz FOYNQMNRSPCQRL-JTQLQIEISA-N 0 0 287.319 2.329 50 0 CEAARN Cc1nc(Cc2noc([C@@H](C)N3CCCCCC3)n2)no1 ZINC000097104547 364451498 /nfs/dbraw/zinc/45/14/98/364451498.db2.gz CSLRAQLEDPXGRB-SNVBAGLBSA-N 0 0 291.355 2.289 50 0 CEAARN C[C@H](C[S@](C)=O)N(C)C(=O)c1ccc2ccccc2n1 ZINC000097109011 364453680 /nfs/dbraw/zinc/45/36/80/364453680.db2.gz YHMPQJNVXZHJAN-BIBXISHDSA-N 0 0 290.388 2.074 50 0 CEAARN Cc1cnn(-c2ccc(C(N)=O)cc2NCc2ccco2)c1 ZINC000097113866 364456733 /nfs/dbraw/zinc/45/67/33/364456733.db2.gz OTMFAJZSYXQXGI-UHFFFAOYSA-N 0 0 296.330 2.485 50 0 CEAARN C[C@H](c1ccccn1)N(C)Cc1cnc2cnccn12 ZINC000097113648 364456984 /nfs/dbraw/zinc/45/69/84/364456984.db2.gz SFWKBPGLXVOMBR-GFCCVEGCSA-N 0 0 267.336 2.317 50 0 CEAARN COC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000096319371 364420410 /nfs/dbraw/zinc/42/04/10/364420410.db2.gz KKQLDIJHUKUCDI-GFCCVEGCSA-N 0 0 295.766 2.294 50 0 CEAARN CSCC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407361 364421830 /nfs/dbraw/zinc/42/18/30/364421830.db2.gz MSOLANJHUZGALX-LBPRGKRZSA-N 0 0 282.384 2.274 50 0 CEAARN O=C(NCc1ccccc1N1CCCCC1)[C@@H]1CCCO1 ZINC000096496670 364425558 /nfs/dbraw/zinc/42/55/58/364425558.db2.gz YLWGZYUJADBFDQ-INIZCTEOSA-N 0 0 288.391 2.472 50 0 CEAARN O=C1C[C@@]2(CCSC2)C(=O)N1CC1CCCCC1 ZINC000096500749 364425958 /nfs/dbraw/zinc/42/59/58/364425958.db2.gz CUALPDZMIVIRIZ-CQSZACIVSA-N 0 0 267.394 2.449 50 0 CEAARN Cc1cccc(N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000097037065 364427190 /nfs/dbraw/zinc/42/71/90/364427190.db2.gz HZYZQNDFEKPLTI-LLVKDONJSA-N 0 0 291.376 2.211 50 0 CEAARN Cc1ccc([C@H](C)NC(=O)NCCC2(C)OCCO2)o1 ZINC000097115771 364457996 /nfs/dbraw/zinc/45/79/96/364457996.db2.gz LLTCPEJEINOLDS-NSHDSACASA-N 0 0 282.340 2.101 50 0 CEAARN O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccc[nH]1 ZINC000097046200 364430948 /nfs/dbraw/zinc/43/09/48/364430948.db2.gz HWCPSDOHQBAXLI-GFCCVEGCSA-N 0 0 282.702 2.271 50 0 CEAARN CC(C)(C)NC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000097141440 364462220 /nfs/dbraw/zinc/46/22/20/364462220.db2.gz HGMLQEHLBQVNRU-NSHDSACASA-N 0 0 291.399 2.370 50 0 CEAARN CCCCN(C)C(=O)CSc1cc(C)ncn1 ZINC000097142319 364462798 /nfs/dbraw/zinc/46/27/98/364462798.db2.gz DGYZLUAFDSVRLP-UHFFFAOYSA-N 0 0 253.371 2.136 50 0 CEAARN Cc1cc(C(=O)NC[C@](C)(O)c2ccccc2Cl)no1 ZINC000097143421 364464441 /nfs/dbraw/zinc/46/44/41/364464441.db2.gz UMCJGYSTYNRPFE-AWEZNQCLSA-N 0 0 294.738 2.274 50 0 CEAARN O=C(Nc1cnccn1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000097146264 364465492 /nfs/dbraw/zinc/46/54/92/364465492.db2.gz NXFKZQANFXGGHB-VXGBXAGGSA-N 0 0 257.268 2.358 50 0 CEAARN Cc1cc(S(=O)(=O)NCc2cccc(N)c2)sc1C ZINC000097147678 364465763 /nfs/dbraw/zinc/46/57/63/364465763.db2.gz MSGYDGXILWUZQI-UHFFFAOYSA-N 0 0 296.417 2.426 50 0 CEAARN Cc1n[nH]cc1CN[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000097159322 364468162 /nfs/dbraw/zinc/46/81/62/364468162.db2.gz DHSZWILSJIAXBN-OAHLLOKOSA-N 0 0 299.353 2.470 50 0 CEAARN COC(=O)[C@H](NCc1cccnc1C)C(C)(C)C ZINC000097162273 364469521 /nfs/dbraw/zinc/46/95/21/364469521.db2.gz JKXDLMKFCCENBA-LBPRGKRZSA-N 0 0 250.342 2.067 50 0 CEAARN CCn1ccnc1-c1cccc(NS(=O)(=O)CC)c1 ZINC000097164231 364470774 /nfs/dbraw/zinc/47/07/74/364470774.db2.gz JGJGEIUVSJBXAR-UHFFFAOYSA-N 0 0 279.365 2.332 50 0 CEAARN O=C(Cn1cccn1)Nc1ccc2sncc2c1 ZINC000097165548 364471001 /nfs/dbraw/zinc/47/10/01/364471001.db2.gz AFXUCLFEYLJDKR-UHFFFAOYSA-N 0 0 258.306 2.132 50 0 CEAARN CC[C@H](CNS(=O)(=O)[C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000097166210 364471541 /nfs/dbraw/zinc/47/15/41/364471541.db2.gz AQXNEXMPJHXVLA-UMVBOHGHSA-N 0 0 297.420 2.277 50 0 CEAARN Cc1cc(C(=O)N2CC[C@@H](CCO)C2)cc(C)c1F ZINC000097230358 364482420 /nfs/dbraw/zinc/48/24/20/364482420.db2.gz BFORPPKEFNTUKI-LBPRGKRZSA-N 0 0 265.328 2.287 50 0 CEAARN Cc1oncc1NC(=O)c1ccc(Br)cn1 ZINC000097230291 364483114 /nfs/dbraw/zinc/48/31/14/364483114.db2.gz DWXYRNKNTUYCAO-UHFFFAOYSA-N 0 0 282.097 2.393 50 0 CEAARN Cc1cccc(O[C@@H](C)CN2C(=O)[C@H]3CCCN3C2=O)c1 ZINC000097232225 364483170 /nfs/dbraw/zinc/48/31/70/364483170.db2.gz HWADHKFPZUCCJK-GXTWGEPZSA-N 0 0 288.347 2.189 50 0 CEAARN CN(C)c1nc(-c2cccc3cnccc32)nn1C ZINC000097527876 364508485 /nfs/dbraw/zinc/50/84/85/364508485.db2.gz XGCNXYREEYRDMV-UHFFFAOYSA-N 0 0 253.309 2.096 50 0 CEAARN C[C@@H](CCO)Nc1ccnc(Cc2ccccc2)n1 ZINC000097234716 364484047 /nfs/dbraw/zinc/48/40/47/364484047.db2.gz QSLXGZNVXZNKJO-LBPRGKRZSA-N 0 0 257.337 2.250 50 0 CEAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCCO1 ZINC000097288887 364489719 /nfs/dbraw/zinc/48/97/19/364489719.db2.gz KVQYVWLDCFDCJT-HNNXBMFYSA-N 0 0 272.348 2.396 50 0 CEAARN COc1cc(F)ccc1NC(=O)NC[C@H](O)c1ccco1 ZINC000097309204 364491084 /nfs/dbraw/zinc/49/10/84/364491084.db2.gz AIBWOCZJTRKGDI-NSHDSACASA-N 0 0 294.282 2.282 50 0 CEAARN COCC(C)(C)C(=O)NCc1cc(F)ccc1C ZINC000097551460 364509209 /nfs/dbraw/zinc/50/92/09/364509209.db2.gz MRIVDUXVXNUALW-UHFFFAOYSA-N 0 0 253.317 2.423 50 0 CEAARN CC(C)c1nsc(NCCc2cncn2C)n1 ZINC000097373076 364493438 /nfs/dbraw/zinc/49/34/38/364493438.db2.gz KTBRFDPEYPBGFU-UHFFFAOYSA-N 0 0 251.359 2.050 50 0 CEAARN Cc1cnc([C@H](NCc2noc(C)n2)C2CC2)s1 ZINC000097374402 364495206 /nfs/dbraw/zinc/49/52/06/364495206.db2.gz XONMAYQKOOYFJT-LLVKDONJSA-N 0 0 264.354 2.384 50 0 CEAARN C[C@H](c1cccnc1)N(C)Cc1cnc2cnccn12 ZINC000097375256 364495603 /nfs/dbraw/zinc/49/56/03/364495603.db2.gz ZMYWOKHDQRNHJO-GFCCVEGCSA-N 0 0 267.336 2.317 50 0 CEAARN Cc1cc(C(=O)N[C@](C)(CO)C2CCCCC2)on1 ZINC000097377626 364496983 /nfs/dbraw/zinc/49/69/83/364496983.db2.gz XSVPAMIULPXAQF-CQSZACIVSA-N 0 0 266.341 2.044 50 0 CEAARN CCc1cc(NC(=O)C2=COCCO2)c2ccccc2n1 ZINC000097380168 364498710 /nfs/dbraw/zinc/49/87/10/364498710.db2.gz PEGGAZGYCBAOOL-UHFFFAOYSA-N 0 0 284.315 2.046 50 0 CEAARN Cc1ccc(CN2CCN(Cc3ccncc3)CC2)nc1 ZINC000097138992 364460754 /nfs/dbraw/zinc/46/07/54/364460754.db2.gz LFMXAWJHQNOXRV-UHFFFAOYSA-N 0 0 282.391 2.103 50 0 CEAARN Fc1ccc(F)c(Cc2nc([C@@H]3CCOC3)no2)c1 ZINC000098019200 364522601 /nfs/dbraw/zinc/52/26/01/364522601.db2.gz RALNBOONMKGSSD-MRVPVSSYSA-N 0 0 266.247 2.443 50 0 CEAARN CCOC(=O)c1sc(-c2ccc(N)nc2)nc1C ZINC000098073400 364529026 /nfs/dbraw/zinc/52/90/26/364529026.db2.gz CWRUODFZSADKPN-UHFFFAOYSA-N 0 0 263.322 2.272 50 0 CEAARN C[C@@H](Cc1cccs1)Nc1ncnc2n[nH]cc21 ZINC000098086749 364530167 /nfs/dbraw/zinc/53/01/67/364530167.db2.gz BHVFFDVKMZRYEI-QMMMGPOBSA-N 0 0 259.338 2.458 50 0 CEAARN COC(=O)c1cc2sc(N)nc2c(Br)c1 ZINC000098181026 364536945 /nfs/dbraw/zinc/53/69/45/364536945.db2.gz IKKRGORQBKUVHQ-UHFFFAOYSA-N 0 0 287.138 2.428 50 0 CEAARN CC(C)(C)C(=O)c1nnn(-c2ccccc2F)c1N ZINC000098212132 364537963 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CCOC(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000004710361 361327098 /nfs/dbraw/zinc/32/70/98/361327098.db2.gz BIWOYYCTPLLAHX-UHFFFAOYSA-N 0 0 268.288 2.231 50 0 CEAARN COc1ccc(C2=Nn3cnnc3S[C@@H]2C)cc1 ZINC000004745298 361327167 /nfs/dbraw/zinc/32/71/67/361327167.db2.gz HJBYGXFWTXBEEM-MRVPVSSYSA-N 0 0 260.322 2.033 50 0 CEAARN CCc1ccc(OCCNC(=S)NC2CC2)cc1 ZINC000004694440 361327421 /nfs/dbraw/zinc/32/74/21/361327421.db2.gz XDUVUHOMJIAACM-UHFFFAOYSA-N 0 0 264.394 2.254 50 0 CEAARN CC[n+]1c(SCC(=O)[O-])ccc2cc(OC)ccc21 ZINC000004555428 361321851 /nfs/dbraw/zinc/32/18/51/361321851.db2.gz CDKIPQYMGDAZIL-UHFFFAOYSA-O 0 0 278.353 2.333 50 0 CEAARN Cc1ccccc1-n1nnnc1C1(N(C)O)CCCCC1 ZINC000004557893 361321924 /nfs/dbraw/zinc/32/19/24/361321924.db2.gz ROMQBOXYPCWWRC-UHFFFAOYSA-N 0 0 287.367 2.451 50 0 CEAARN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000004598087 361323039 /nfs/dbraw/zinc/32/30/39/361323039.db2.gz DAAMUYZKTYMSSE-CQSZACIVSA-N 0 0 298.346 2.439 50 0 CEAARN c1ccc(COc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000008569827 361343330 /nfs/dbraw/zinc/34/33/30/361343330.db2.gz PKQYKRLDGXWMOL-UHFFFAOYSA-N 0 0 252.277 2.446 50 0 CEAARN CCCCN1C(=O)CCc2cc(NC(=O)COC)ccc21 ZINC000009137143 361345055 /nfs/dbraw/zinc/34/50/55/361345055.db2.gz DJFUJBNWMCMZTI-UHFFFAOYSA-N 0 0 290.363 2.351 50 0 CEAARN CCCN1c2ccc(NS(=O)(=O)CC)cc2CCC1=O ZINC000008793673 361345224 /nfs/dbraw/zinc/34/52/24/361345224.db2.gz OLZROXAVVVPOKH-UHFFFAOYSA-N 0 0 296.392 2.137 50 0 CEAARN COC(=O)c1ccc(CNC(=O)c2ccc(C)n2C)cc1 ZINC000010215698 361348399 /nfs/dbraw/zinc/34/83/99/361348399.db2.gz HARBSMYJBABAJE-UHFFFAOYSA-N 0 0 286.331 2.050 50 0 CEAARN O[C@H](Cn1ccnc1-c1ncc[nH]1)c1ccccc1 ZINC000082109088 363750501 /nfs/dbraw/zinc/75/05/01/363750501.db2.gz NPJGXIGEVKVLFZ-GFCCVEGCSA-N 0 0 254.293 2.007 50 0 CEAARN CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Nc1ccccc1 ZINC000010256266 361348603 /nfs/dbraw/zinc/34/86/03/361348603.db2.gz ASQHZNZJZLXCKI-OAHLLOKOSA-N 0 0 295.342 2.396 50 0 CEAARN CC(C)[C@H](C)NC(=O)CN1C(=O)CSc2ccccc21 ZINC000004806278 361329274 /nfs/dbraw/zinc/32/92/74/361329274.db2.gz FYALTKGJARKLPR-NSHDSACASA-N 0 0 292.404 2.286 50 0 CEAARN CCC(=O)NCCOc1ccc(-c2ccc(C)cc2)nn1 ZINC000010335826 361349484 /nfs/dbraw/zinc/34/94/84/361349484.db2.gz BQEPVFMWJWVAKB-UHFFFAOYSA-N 0 0 285.347 2.357 50 0 CEAARN Cc1cccc(C)c1NC(=O)CSc1nc[nH]n1 ZINC000005737260 361335557 /nfs/dbraw/zinc/33/55/57/361335557.db2.gz YCCNWUHSDFAPCB-UHFFFAOYSA-N 0 0 262.338 2.152 50 0 CEAARN O=c1c2c([nH]c3nc(-c4ccccc4)nn31)CCCC2 ZINC000006252503 361336963 /nfs/dbraw/zinc/33/69/63/361336963.db2.gz CGVJEXDHZXNQBU-UHFFFAOYSA-N 0 0 266.304 2.376 50 0 CEAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ncccn2n1 ZINC000006829984 361338342 /nfs/dbraw/zinc/33/83/42/361338342.db2.gz BNMZTRSKBMPDPH-UHFFFAOYSA-N 0 0 296.374 2.428 50 0 CEAARN Cc1noc(C)c1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000007148453 361340255 /nfs/dbraw/zinc/34/02/55/361340255.db2.gz MPHKBIAPTGKHSH-UHFFFAOYSA-N 0 0 299.374 2.183 50 0 CEAARN COc1cc(Nc2nc(C)cc(=O)[nH]2)c(OC)cc1Cl ZINC000011990305 361369839 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/nfs/dbraw/zinc/35/92/59/361359259.db2.gz SVXKJQRRJNWAOS-UHFFFAOYSA-N 0 0 284.363 2.199 50 0 CEAARN O=C(Nc1ccc(C(=O)OC[C@H]2CCCO2)cc1)C1CC1 ZINC000011595791 361360069 /nfs/dbraw/zinc/36/00/69/361360069.db2.gz PKUBGQDFJZZUER-CQSZACIVSA-N 0 0 289.331 2.371 50 0 CEAARN Cc1nc(S[C@@H](C)C(=O)NC2CCCCC2)n[nH]1 ZINC000011698902 361361609 /nfs/dbraw/zinc/36/16/09/361361609.db2.gz SQEJLQQXXYISKP-QMMMGPOBSA-N 0 0 268.386 2.043 50 0 CEAARN Cn1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)n1 ZINC000011695531 361361831 /nfs/dbraw/zinc/36/18/31/361361831.db2.gz PNDPMJIQPWPJGD-UHFFFAOYSA-N 0 0 264.354 2.426 50 0 CEAARN COC(=O)c1ccccc1NC(=O)c1cccc(N)c1 ZINC000011737162 361363206 /nfs/dbraw/zinc/36/32/06/361363206.db2.gz ICDQYEZZOFZJJO-UHFFFAOYSA-N 0 0 270.288 2.308 50 0 CEAARN CCC(=O)NCCCn1nc(-c2ccc(C)cc2)ccc1=O ZINC000011738358 361363399 /nfs/dbraw/zinc/36/33/99/361363399.db2.gz KVPXKSRNKKNVHH-UHFFFAOYSA-N 0 0 299.374 2.135 50 0 CEAARN CS(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000083987455 363792408 /nfs/dbraw/zinc/79/24/08/363792408.db2.gz QBSKHCKSVIASGP-CYBMUJFWSA-N 0 0 296.779 2.374 50 0 CEAARN O=C(OC1(C2CC2)CC1)c1cc(-n2cccn2)ccn1 ZINC000083771142 363786246 /nfs/dbraw/zinc/78/62/46/363786246.db2.gz NTGMORCQSGIJJG-UHFFFAOYSA-N 0 0 269.304 2.367 50 0 CEAARN CCCn1c(=O)[nH]nc1SCc1nccn1C(F)F ZINC000012530535 361387914 /nfs/dbraw/zinc/38/79/14/361387914.db2.gz LIAUKFHSBVDOSS-UHFFFAOYSA-N 0 0 289.311 2.278 50 0 CEAARN COc1cc(OC)cc(C(=O)Nc2ncccc2O)c1 ZINC000012526647 361387946 /nfs/dbraw/zinc/38/79/46/361387946.db2.gz YHYIXUIHCCRWNB-UHFFFAOYSA-N 0 0 274.276 2.057 50 0 CEAARN CCc1cc(NC(=O)NC[C@]2(C)CCCS2)n(C)n1 ZINC000083820369 363789164 /nfs/dbraw/zinc/78/91/64/363789164.db2.gz ZHFWCROPPGXJPQ-ZDUSSCGKSA-N 0 0 282.413 2.390 50 0 CEAARN O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1CC=CCC1 ZINC000012536781 361389828 /nfs/dbraw/zinc/38/98/28/361389828.db2.gz QWJOEZBITLYTOH-ZDUSSCGKSA-N 0 0 287.363 2.213 50 0 CEAARN COc1ccc2[nH]c(S[C@H]3CCCCNC3=O)nc2c1 ZINC000012547609 361390506 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/nfs/dbraw/zinc/39/26/70/361392670.db2.gz HLICPYJQVOBPBH-SECBINFHSA-N 0 0 257.297 2.379 50 0 CEAARN Cc1cnc(NC(=O)c2ccccc2S(C)(=O)=O)s1 ZINC000012599411 361393209 /nfs/dbraw/zinc/39/32/09/361393209.db2.gz GMUKCCHMOBXURN-UHFFFAOYSA-N 0 0 296.373 2.107 50 0 CEAARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc[nH]c1=O ZINC000012624515 361393511 /nfs/dbraw/zinc/39/35/11/361393511.db2.gz ULHAXFNQWOTNTM-UHFFFAOYSA-N 0 0 296.248 2.324 50 0 CEAARN O=C([C@H]1CCC(=O)N(C2CCCCCC2)C1)N1CCCO1 ZINC000012192320 361375741 /nfs/dbraw/zinc/37/57/41/361375741.db2.gz GYXPSAVIYFEAKT-ZDUSSCGKSA-N 0 0 294.395 2.112 50 0 CEAARN Cc1ccccc1NC(=O)c1ccc(N2CCOCC2)nc1 ZINC000012618311 361393630 /nfs/dbraw/zinc/39/36/30/361393630.db2.gz XERDESHIKOVHQI-UHFFFAOYSA-N 0 0 297.358 2.479 50 0 CEAARN Cc1ccccc1[C@@H](CC(=O)NCC(N)=O)c1ccccc1 ZINC000012302445 361377091 /nfs/dbraw/zinc/37/70/91/361377091.db2.gz ZZMILWOHBNOAOH-INIZCTEOSA-N 0 0 296.370 2.119 50 0 CEAARN O=S(=O)(NCCCO)c1ccc(C2CCCCC2)cc1 ZINC000012293384 361377316 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CC(=O)c1cccc(NC(=O)[C@@H]2CCCC23OCCO3)c1 ZINC000253404635 371516550 /nfs/dbraw/zinc/51/65/50/371516550.db2.gz CBWFBKKGBYCTLM-AWEZNQCLSA-N 0 0 289.331 2.371 50 0 CEAARN COC[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccncc1 ZINC000253413377 371516778 /nfs/dbraw/zinc/51/67/78/371516778.db2.gz UQXGCIAMXYSQPA-GJZGRUSLSA-N 0 0 286.331 2.177 50 0 CEAARN C[C@@H](Nc1ccc(F)cn1)C(=O)N1CCCC[C@H]1C ZINC000253415499 371518088 /nfs/dbraw/zinc/51/80/88/371518088.db2.gz LEWDEKGDSWPKLG-GHMZBOCLSA-N 0 0 265.332 2.422 50 0 CEAARN O=C(NCCC(F)(F)F)N1CCC[C@H]1[C@H]1CCCO1 ZINC000253416455 371518262 /nfs/dbraw/zinc/51/82/62/371518262.db2.gz CVDJYNGLLOIIED-VHSXEESVSA-N 0 0 280.290 2.292 50 0 CEAARN Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](O)CCO3)cc1 ZINC000253413916 371518481 /nfs/dbraw/zinc/51/84/81/371518481.db2.gz VZMBNPJOFYIGRE-OAHLLOKOSA-N 0 0 289.375 2.141 50 0 CEAARN O=C(NC[C@@H]1CCOC1)c1ccoc1C(F)(F)F ZINC000253420528 371519496 /nfs/dbraw/zinc/51/94/96/371519496.db2.gz XSBNLNWMOMTUMB-ZETCQYMHSA-N 0 0 263.215 2.065 50 0 CEAARN 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/nfs/dbraw/zinc/10/48/77/185104877.db2.gz STKFDOMUUDXJLF-UHFFFAOYSA-N 0 0 251.289 2.339 50 0 CEAARN OCCn1nc(C2CCCC2)nc1-c1ncoc1C1CC1 ZINC000096139937 185105503 /nfs/dbraw/zinc/10/55/03/185105503.db2.gz CXZOXWPCWYTWEM-UHFFFAOYSA-N 0 0 288.351 2.460 50 0 CEAARN O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccc[nH]c1=O ZINC000096139382 185105819 /nfs/dbraw/zinc/10/58/19/185105819.db2.gz UWXDJUZQPQAVDD-GRYCIOLGSA-N 0 0 273.336 2.099 50 0 CEAARN COCc1nc(-c2cc3ccccc3nc2OC)n[nH]1 ZINC000096148473 185106797 /nfs/dbraw/zinc/10/67/97/185106797.db2.gz OLAICYJYQSIPOT-UHFFFAOYSA-N 0 0 270.292 2.175 50 0 CEAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(F)F)C1=O ZINC000125369560 187181668 /nfs/dbraw/zinc/18/16/68/187181668.db2.gz PTAWHJQWGPZPBI-AWEZNQCLSA-N 0 0 298.289 2.117 50 0 CEAARN Nc1cccc(-c2nn3c(nnc3C(F)(F)F)s2)c1 ZINC000036153768 361831756 /nfs/dbraw/zinc/83/17/56/361831756.db2.gz JWFJXBBXMRWZSR-UHFFFAOYSA-N 0 0 285.254 2.454 50 0 CEAARN CCS(=O)(=O)N1CCC[C@@H]1c1ccccc1F ZINC000036621061 361849567 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/nfs/dbraw/zinc/95/50/00/361955000.db2.gz CTTQDUYNRZFAQS-NSHDSACASA-N 0 0 285.771 2.257 50 0 CEAARN Cc1noc(-c2ccc(NC[C@H]3CCCCO3)nc2)n1 ZINC000039442259 361989497 /nfs/dbraw/zinc/98/94/97/361989497.db2.gz BSKYIHQHAVTHBJ-GFCCVEGCSA-N 0 0 274.324 2.421 50 0 CEAARN CCOC(=O)CN(CC)C(=O)Cc1ccc(Cl)cc1 ZINC000038016357 361982874 /nfs/dbraw/zinc/98/28/74/361982874.db2.gz YRIVVIUNHVSMIU-UHFFFAOYSA-N 0 0 283.755 2.294 50 0 CEAARN COC[C@@H](C)NC(=O)N([C@H](C)c1ccccn1)C1CC1 ZINC000080595623 344015577 /nfs/dbraw/zinc/01/55/77/344015577.db2.gz XWCVGXRWPXRGIN-VXGBXAGGSA-N 0 0 277.368 2.352 50 0 CEAARN CCc1cc(CNC(=O)NC[C@@H]2CCO[C@H]2C(C)C)on1 ZINC000096455101 529528650 /nfs/dbraw/zinc/52/86/50/529528650.db2.gz XUTGDXHARISCJI-FZMZJTMJSA-N 0 0 295.383 2.097 50 0 CEAARN C[C@H]1CCc2nc(NC(=O)C3=COCCO3)sc2C1 ZINC000006455808 290654375 /nfs/dbraw/zinc/65/43/75/290654375.db2.gz JMZSFSXDONRBPU-QMMMGPOBSA-N 0 0 280.349 2.095 50 0 CEAARN CCc1noc(C)c1Cn1nc(C(F)(F)F)ccc1=O ZINC000269945814 190573368 /nfs/dbraw/zinc/57/33/68/190573368.db2.gz HTMWNFBLQOIXLF-UHFFFAOYSA-N 0 0 287.241 2.169 50 0 CEAARN CCc1noc([C@@H]2CCCN(C(=O)c3ccco3)C2)n1 ZINC000041122317 362020589 /nfs/dbraw/zinc/02/05/89/362020589.db2.gz GTIFVDBNNMVMRB-SNVBAGLBSA-N 0 0 275.308 2.245 50 0 CEAARN Cc1ccc2[nH]c(=O)c(CCC(=O)NC(C)C)cc2c1 ZINC000041186510 362025468 /nfs/dbraw/zinc/02/54/68/362025468.db2.gz DYTWXFBNZHLBRX-UHFFFAOYSA-N 0 0 272.348 2.294 50 0 CEAARN O=S(=O)(c1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041194978 362025870 /nfs/dbraw/zinc/02/58/70/362025870.db2.gz NMRDKBIUXKYAMT-UONOGXRCSA-N 0 0 281.377 2.019 50 0 CEAARN CCOC(=O)C(=O)c1ccc(OC)c(Br)c1 ZINC000041463389 362036528 /nfs/dbraw/zinc/03/65/28/362036528.db2.gz LECHUTUBHTXECQ-UHFFFAOYSA-N 0 0 287.109 2.204 50 0 CEAARN O=C([O-])[C@@H]([NH2+]C1CC1)c1cc(Br)cs1 ZINC000041677870 362046110 /nfs/dbraw/zinc/04/61/10/362046110.db2.gz AMKDKHXJSDJWDR-QMMMGPOBSA-N 0 0 276.155 2.388 50 0 CEAARN Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000041782114 362050624 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362156938 /nfs/dbraw/zinc/15/69/38/362156938.db2.gz JWSKCACTOGDSCV-LBPRGKRZSA-N 0 0 291.380 2.493 50 0 CEAARN COc1cc([C@@H](C)Nc2ncccn2)ccc1OCCO ZINC000044977063 362158006 /nfs/dbraw/zinc/15/80/06/362158006.db2.gz VFCLXXQPXWKZFS-LLVKDONJSA-N 0 0 289.335 2.029 50 0 CEAARN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)cc(C)c12 ZINC000015085345 282241296 /nfs/dbraw/zinc/24/12/96/282241296.db2.gz BWFYFVLNJJMZAC-UHFFFAOYSA-N 0 0 257.268 2.470 50 0 CEAARN CCc1c(C)[nH]c2nc(-c3ccccc3)nn2c1=O ZINC000013364728 343367102 /nfs/dbraw/zinc/36/71/02/343367102.db2.gz RNQLTPFYVGTLSP-UHFFFAOYSA-N 0 0 254.293 2.368 50 0 CEAARN O=c1ccn2c3c1cccc3[S@](=O)c1ccccc1-2 ZINC000019878423 343375680 /nfs/dbraw/zinc/37/56/80/343375680.db2.gz CLQFSLCPKMZWPS-IBGZPJMESA-N 0 0 267.309 2.471 50 0 CEAARN CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)C[C@H]1c1ccccc1 ZINC000000204279 343349722 /nfs/dbraw/zinc/34/97/22/343349722.db2.gz RZFBIMOGKFYPOK-NOLJZWGESA-N 0 0 276.332 2.063 50 0 CEAARN CCOC(=O)C1=NC(=O)N[C@H](c2ccccc2F)C1C ZINC000000339978 343350177 /nfs/dbraw/zinc/35/01/77/343350177.db2.gz FOBOFFUUTMDUMK-NSHDSACASA-N 0 0 278.283 2.017 50 0 CEAARN COC(=O)C1C(C)=Nc2n[nH]cc2[C@H]1c1ccccc1 ZINC000004643342 343353110 /nfs/dbraw/zinc/35/31/10/343353110.db2.gz QBSQNUQNQCFCCQ-CYBMUJFWSA-N 0 0 269.304 2.414 50 0 CEAARN [NH2+]=C1c2ccccc2CN1c1ccc(O)c(C(=O)[O-])c1 ZINC000004031637 343353128 /nfs/dbraw/zinc/35/31/28/343353128.db2.gz QJMXGKLPVFBCPW-UHFFFAOYSA-N 0 0 268.272 2.436 50 0 CEAARN CCOC(=O)c1sc(=N)n(Cc2ccco2)c1C ZINC000004184744 343353155 /nfs/dbraw/zinc/35/31/55/343353155.db2.gz PKFPCQTUJYLAAY-UHFFFAOYSA-N 0 0 266.322 2.155 50 0 CEAARN O=C(N[C@H](O)C(Cl)(Cl)Cl)[C@@H]1CC=CCC1 ZINC000004953096 343353484 /nfs/dbraw/zinc/35/34/84/343353484.db2.gz FAYCVIAFXMDZKF-HTRCEHHLSA-N 0 0 272.559 2.148 50 0 CEAARN CS[C@H](C)Cc1nc(-c2ccc(N)nc2)no1 ZINC000685942560 539306587 /nfs/dbraw/zinc/30/65/87/539306587.db2.gz WWTUVACKSBVTQX-SSDOTTSWSA-N 0 0 250.327 2.008 50 0 CEAARN Cc1ccc(-c2ccsc2C(=O)N(C)CC(N)=O)cc1 ZINC000046979907 362192434 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NRAJSFJDWNONKF-UHFFFAOYSA-N 0 0 272.304 2.244 50 0 CEAARN COc1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)nn1 ZINC000230089859 295095096 /nfs/dbraw/zinc/09/50/96/295095096.db2.gz ZWMLFKFFQVHZQD-NQBHXWOUSA-N 0 0 275.352 2.278 50 0 CEAARN NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Nc1ccccc1 ZINC000008737263 295134376 /nfs/dbraw/zinc/13/43/76/295134376.db2.gz OCEWZPPFCZZZEH-AWEZNQCLSA-N 0 0 281.315 2.135 50 0 CEAARN O=C(c1ccc2ccccc2n1)N1CC(n2ccnc2)C1 ZINC000524421186 297673427 /nfs/dbraw/zinc/67/34/27/297673427.db2.gz XICQYUIXVSTTFJ-UHFFFAOYSA-N 0 0 278.315 2.128 50 0 CEAARN Cc1c2c(ccc1Cl)[C@](O)(N1CCC[C@H](C)C1)C(=O)N2 ZINC000006721024 301015467 /nfs/dbraw/zinc/01/54/67/301015467.db2.gz RMACCDPVEZJIGY-BJOHPYRUSA-N 0 0 294.782 2.478 50 0 CEAARN Cc1cc(C)c(S(=O)(=O)N2CCCC2)c(C)c1 ZINC000000272972 301192060 /nfs/dbraw/zinc/19/20/60/301192060.db2.gz BJQGTRMOFVXKGW-UHFFFAOYSA-N 0 0 253.367 2.396 50 0 CEAARN Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000055781443 302149776 /nfs/dbraw/zinc/14/97/76/302149776.db2.gz JWMFIQVSGVFQGL-ZFWWWQNUSA-N 0 0 286.375 2.185 50 0 CEAARN Cc1nn(C)c(C)c1/C=C\C(=O)N1CCCC[C@@H]1C ZINC000098053613 302735438 /nfs/dbraw/zinc/73/54/38/302735438.db2.gz KICQISHIIPYOKY-IQQGHNRFSA-N 0 0 261.369 2.451 50 0 CEAARN Cc1[nH]n(C)c2nnc(NC(=O)[C@H]3C[C@H]3c3ccccc3)c1-2 ZINC000089567306 302787245 /nfs/dbraw/zinc/78/72/45/302787245.db2.gz ZVMLHHJTAZDZMP-RYUDHWBXSA-N 0 0 295.346 2.347 50 0 CEAARN Cc1nscc1C(=O)N1CCOCC12CCCC2 ZINC000097237518 302864095 /nfs/dbraw/zinc/86/40/95/302864095.db2.gz UKZUXYBHUURKEX-UHFFFAOYSA-N 0 0 266.366 2.237 50 0 CEAARN FC(F)(F)[C@]12CC(c3cccs3)=NCCN1CCN2 ZINC000019318842 303117846 /nfs/dbraw/zinc/11/78/46/303117846.db2.gz KYIDCYRHAOTDIR-NSHDSACASA-N 0 0 289.326 2.105 50 0 CEAARN NC(=O)C1CCC(C(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000089818484 303238786 /nfs/dbraw/zinc/23/87/86/303238786.db2.gz ZOVDGMYNBJMJLR-UHFFFAOYSA-N 0 0 292.423 2.461 50 0 CEAARN NC(=O)CN(C(=O)C1=CCCCCC1)C1CCCC1 ZINC000129062217 303248153 /nfs/dbraw/zinc/24/81/53/303248153.db2.gz TVCOWEHKJWBQLR-UHFFFAOYSA-N 0 0 264.369 2.133 50 0 CEAARN CCc1ncnc(NCc2ccnc(SC)c2)c1F ZINC000390834148 327930732 /nfs/dbraw/zinc/93/07/32/327930732.db2.gz SUSDXAZWFQLCNO-UHFFFAOYSA-N 0 0 278.356 2.329 50 0 CEAARN C[C@@H](O)C[C@@H]1COCCN1C(=O)NC1CCC(C)(C)CC1 ZINC000097095144 321693982 /nfs/dbraw/zinc/69/39/82/321693982.db2.gz GKQMTZDQESAKHL-TZMCWYRMSA-N 0 0 298.427 2.137 50 0 CEAARN Cn1cncc1CCNc1nc2cc(F)ccc2o1 ZINC000097373513 321695279 /nfs/dbraw/zinc/69/52/79/321695279.db2.gz JMRLQQDNVSRKDF-UHFFFAOYSA-N 0 0 260.272 2.355 50 0 CEAARN CO[C@@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)O2)CC[C@H]1C ZINC000187740140 321761595 /nfs/dbraw/zinc/76/15/95/321761595.db2.gz DLQDGDRMYFXVCP-FRRDWIJNSA-N 0 0 284.400 2.010 50 0 CEAARN Cc1cccnc1[C@@H](NS(=O)(=O)C(C)C)C1CC1 ZINC000534642886 328329058 /nfs/dbraw/zinc/32/90/58/328329058.db2.gz QERJHNHXSCUZLG-ZDUSSCGKSA-N 0 0 268.382 2.169 50 0 CEAARN CCCc1nc(C)c(CNS(=O)(=O)CCC)s1 ZINC000534629983 328328606 /nfs/dbraw/zinc/32/86/06/328328606.db2.gz PIVHLIGKJLHCDY-UHFFFAOYSA-N 0 0 276.427 2.233 50 0 CEAARN Cc1cccnc1[C@H](NS(=O)(=O)C(C)C)C1CC1 ZINC000534642885 328329201 /nfs/dbraw/zinc/32/92/01/328329201.db2.gz QERJHNHXSCUZLG-CYBMUJFWSA-N 0 0 268.382 2.169 50 0 CEAARN Cc1c[nH]c([C@H](C)NC(=O)CCc2cc(Cl)no2)n1 ZINC000534644079 328329688 /nfs/dbraw/zinc/32/96/88/328329688.db2.gz BWMVQIZCOCUZAP-QMMMGPOBSA-N 0 0 282.731 2.170 50 0 CEAARN Cc1ncn(C)c1C(=O)NC1(c2cccc(C)c2)CC1 ZINC000534644854 328330342 /nfs/dbraw/zinc/33/03/42/328330342.db2.gz YZTPBUOZBDQCCD-UHFFFAOYSA-N 0 0 269.348 2.456 50 0 CEAARN Cc1ccc(N2CCC([NH2+][C@@H](C)C(=O)[O-])CC2)cc1 ZINC000534631137 328331475 /nfs/dbraw/zinc/33/14/75/328331475.db2.gz AEUNRJNYWYLNMD-LBPRGKRZSA-N 0 0 262.353 2.027 50 0 CEAARN CCn1cc(-c2ccc(C(=O)N3CCC[C@H](O)C3)cc2)cn1 ZINC000534632089 328331703 /nfs/dbraw/zinc/33/17/03/328331703.db2.gz XICGQENPRJIWEK-INIZCTEOSA-N 0 0 299.374 2.167 50 0 CEAARN Cc1ccc(C(=O)NCC[C@@H]2CCOC2)n1C(F)F ZINC000534636270 328333827 /nfs/dbraw/zinc/33/38/27/328333827.db2.gz QUVGZLCNUQOWND-SNVBAGLBSA-N 0 0 272.295 2.348 50 0 CEAARN Cc1cccnc1[C@H](NS(=O)(=O)N(C)C(C)C)C1CC1 ZINC000534636314 328333834 /nfs/dbraw/zinc/33/38/34/328333834.db2.gz NGCMXBUHQIEUPS-CQSZACIVSA-N 0 0 297.424 2.016 50 0 CEAARN C/C=C/C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000534636574 328334173 /nfs/dbraw/zinc/33/41/73/328334173.db2.gz ADYJGNJPNPIPPN-AZBIDPCXSA-N 0 0 263.312 2.079 50 0 CEAARN Cc1c[nH]c([C@@H](C)NC(=O)c2cnc3c(c2)CCCC3)n1 ZINC000534654370 328338870 /nfs/dbraw/zinc/33/88/70/328338870.db2.gz QFGNGDOIAXWDLC-LLVKDONJSA-N 0 0 284.363 2.483 50 0 CEAARN CC[C@H](NC(=O)c1cccnc1OC)c1cccnc1 ZINC000534660547 328339711 /nfs/dbraw/zinc/33/97/11/328339711.db2.gz MZMXLSGBPNYWPX-ZDUSSCGKSA-N 0 0 271.320 2.366 50 0 CEAARN CC1=C(c2ccccc2)[C@@H]1C(=O)NCCc1ncc[nH]1 ZINC000534657595 328340942 /nfs/dbraw/zinc/34/09/42/328340942.db2.gz ZHCVGHBPCWOZQK-OAHLLOKOSA-N 0 0 267.332 2.172 50 0 CEAARN Cc1cccnc1[C@H](NC(=O)c1ccc(O)cn1)C1CC1 ZINC000534658158 328341430 /nfs/dbraw/zinc/34/14/30/328341430.db2.gz SMFHRFZUMCPDKC-OAHLLOKOSA-N 0 0 283.331 2.372 50 0 CEAARN CCCC[C@@H](CC(=O)[O-])[NH2+]C1CSCCSC1 ZINC000534670941 328347490 /nfs/dbraw/zinc/34/74/90/328347490.db2.gz LTYDWWUDUUNWBP-JTQLQIEISA-N 0 0 277.455 2.458 50 0 CEAARN CCOc1ccc(C(=S)N2CCN(C)CC2)cc1 ZINC000004958124 326813544 /nfs/dbraw/zinc/81/35/44/326813544.db2.gz CRYOZOXBDDLJDR-UHFFFAOYSA-N 0 0 264.394 2.008 50 0 CEAARN CC(C)(C)C(=O)N1CCCN(C(=O)C(C)(C)C)CC1 ZINC000005632342 326816501 /nfs/dbraw/zinc/81/65/01/326816501.db2.gz XIJKVQJTIJBYRE-UHFFFAOYSA-N 0 0 268.401 2.140 50 0 CEAARN O=C(NC1CCCC1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000024031867 326871916 /nfs/dbraw/zinc/87/19/16/326871916.db2.gz RXHOFVKIZVQXEE-UHFFFAOYSA-N 0 0 286.331 2.012 50 0 CEAARN Cc1cc(C)cc(N(C)S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000071909455 327106332 /nfs/dbraw/zinc/10/63/32/327106332.db2.gz BQZLSWDQVOERDG-AWEZNQCLSA-N 0 0 283.393 2.248 50 0 CEAARN CC[C@H](CN1CCS(=O)CC1)c1ccccc1 ZINC000390834678 328973609 /nfs/dbraw/zinc/97/36/09/328973609.db2.gz NPFIUFQKKUITJX-CYBMUJFWSA-N 0 0 251.395 2.245 50 0 CEAARN CCCc1ncc(C(=O)NC[C@H](O)C2CCCC2)s1 ZINC000096436631 329526286 /nfs/dbraw/zinc/52/62/86/329526286.db2.gz XXJAZUXGYXGXOJ-NSHDSACASA-N 0 0 282.409 2.377 50 0 CEAARN Cc1cncc(C(=O)NC[C@H](O)C2CCCCC2)c1 ZINC000096436327 329526333 /nfs/dbraw/zinc/52/63/33/329526333.db2.gz VWAXPMMEXFFTOV-AWEZNQCLSA-N 0 0 262.353 2.061 50 0 CEAARN Cc1ccoc1C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000016416348 500990875 /nfs/dbraw/zinc/99/08/75/500990875.db2.gz VRZLFYSMFXABDP-UHFFFAOYSA-N 0 0 290.300 2.014 50 0 CEAARN C[C@H]1CN(C(=O)NCCCCn2ccnc2)C[C@H](C)S1 ZINC000096439341 533842593 /nfs/dbraw/zinc/84/25/93/533842593.db2.gz ABWHDUZIWIXWML-STQMWFEESA-N 0 0 296.440 2.199 50 0 CEAARN COc1ccccc1C(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000096454471 533973542 /nfs/dbraw/zinc/97/35/42/533973542.db2.gz UNFSMXQNPUTWKH-WFASDCNBSA-N 0 0 277.364 2.486 50 0 CEAARN Cc1ccc(CNC(=O)N(C)C[C@@H]2CCCC[C@H]2O)cn1 ZINC000096499709 533994515 /nfs/dbraw/zinc/99/45/15/533994515.db2.gz SMUYNYJHPDAKKU-LSDHHAIUSA-N 0 0 291.395 2.083 50 0 CEAARN Cc1cc2ncnn2c(N2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000408515346 534138671 /nfs/dbraw/zinc/13/86/71/534138671.db2.gz MHAHRBDZZAOSMV-AAEUAGOBSA-N 0 0 272.352 2.041 50 0 CEAARN COC(=O)[C@@H](C)NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000096473923 534228624 /nfs/dbraw/zinc/22/86/24/534228624.db2.gz SITIFWFQHMTAOV-NKWVEPMBSA-N 0 0 275.757 2.183 50 0 CEAARN O[C@@H](CNc1cncc(Cl)n1)c1ccccc1F ZINC000096453432 534402668 /nfs/dbraw/zinc/40/26/68/534402668.db2.gz MALNQEMVCGGTKY-JTQLQIEISA-N 0 0 267.691 2.415 50 0 CEAARN O=C(Nc1cn(Cc2ccccc2)nn1)C1CCCC1 ZINC000170601492 534445238 /nfs/dbraw/zinc/44/52/38/534445238.db2.gz GOYJVVPRPLZWNU-UHFFFAOYSA-N 0 0 270.336 2.455 50 0 CEAARN CCCN(C)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000049479182 521467674 /nfs/dbraw/zinc/46/76/74/521467674.db2.gz KZYVHGLXOUTGAG-NSHDSACASA-N 0 0 264.300 2.120 50 0 CEAARN CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cn[nH]c1 ZINC000048906814 521478667 /nfs/dbraw/zinc/47/86/67/521478667.db2.gz OJHOLIRVVAYAKE-UHFFFAOYSA-N 0 0 279.365 2.242 50 0 CEAARN COCCC(=O)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000363717202 522956828 /nfs/dbraw/zinc/95/68/28/522956828.db2.gz GUSYEFFUOZNSFP-INIZCTEOSA-N 0 0 288.322 2.463 50 0 CEAARN CN(Cc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000012528565 523163006 /nfs/dbraw/zinc/16/30/06/523163006.db2.gz DVAISGSOMUCDIH-UHFFFAOYSA-N 0 0 265.316 2.331 50 0 CEAARN CCn1cc(C(=O)O[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cn1 ZINC000246490253 523349625 /nfs/dbraw/zinc/34/96/25/523349625.db2.gz DHWDLJYNWLOWOU-YNEHKIRRSA-N 0 0 278.352 2.263 50 0 CEAARN CCc1c(C)nn(CCNc2nnc(C3CC3)o2)c1C ZINC000095354056 523714799 /nfs/dbraw/zinc/71/47/99/523714799.db2.gz SHWVUNTUBDZJGG-UHFFFAOYSA-N 0 0 275.356 2.435 50 0 CEAARN C[C@](O)(CNC(=O)c1cccs1)Cc1ccco1 ZINC000206611907 525176159 /nfs/dbraw/zinc/17/61/59/525176159.db2.gz PKHRASVYKQAEIE-CYBMUJFWSA-N 0 0 265.334 2.065 50 0 CEAARN O=C1[C@H](SCc2ccco2)CCN1C1CCOCC1 ZINC000096447663 534845873 /nfs/dbraw/zinc/84/58/73/534845873.db2.gz ZSZAOGNJFFKAAQ-CYBMUJFWSA-N 0 0 281.377 2.293 50 0 CEAARN Cc1nn(CC2CC2)c(=O)n1-c1cccc(Cl)c1 ZINC000004072926 534865270 /nfs/dbraw/zinc/86/52/70/534865270.db2.gz RFVREXNQKMPCGZ-UHFFFAOYSA-N 0 0 263.728 2.406 50 0 CEAARN O=C(NC[C@@H](CO)Cc1ccsc1)c1cccc(F)c1 ZINC000032803157 526479434 /nfs/dbraw/zinc/47/94/34/526479434.db2.gz QRAFDAWMKUVUJO-LBPRGKRZSA-N 0 0 293.363 2.468 50 0 CEAARN O=C(Cc1ccc(F)cc1)OCC(=O)c1ccc[nH]1 ZINC000006224250 527233075 /nfs/dbraw/zinc/23/30/75/527233075.db2.gz GMHRAMZCTHBFSA-UHFFFAOYSA-N 0 0 261.252 2.122 50 0 CEAARN Nc1ccnc(C(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000050707769 527532667 /nfs/dbraw/zinc/53/26/67/527532667.db2.gz JQJBYTVJUGHTNO-CQSZACIVSA-N 0 0 259.353 2.459 50 0 CEAARN CCCC(=O)NCc1ccccc1NCCOC ZINC000096475908 527936961 /nfs/dbraw/zinc/93/69/61/527936961.db2.gz INKXXUROZLMYTM-UHFFFAOYSA-N 0 0 250.342 2.161 50 0 CEAARN CCN(CC)C(=O)COc1cccc(-n2ccnc2)c1 ZINC000096447951 528029752 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/nfs/dbraw/zinc/02/34/98/198023498.db2.gz KSYDUIWPRBLRAT-UHFFFAOYSA-N 0 0 286.335 2.121 50 0 CEAARN CCn1ncnc1[C@H](C)Nc1nc(C)nc(C)c1C ZINC000091951964 539816158 /nfs/dbraw/zinc/81/61/58/539816158.db2.gz GLJSUGIUJATVSV-JTQLQIEISA-N 0 0 260.345 2.186 50 0 CEAARN C[C@@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)C1N=NC(=O)N1C ZINC000630030615 351590738 /nfs/dbraw/zinc/59/07/38/351590738.db2.gz HBXWECDLQHIGPS-GMTAPVOTSA-N 0 0 294.399 2.160 50 0 CEAARN C[C@H]1CN=C(c2ccccn2)C(c2ccccn2)=N1 ZINC000001662397 290932892 /nfs/dbraw/zinc/93/28/92/290932892.db2.gz KMOIFUBJNFUWES-NSHDSACASA-N 0 0 250.305 2.157 50 0 CEAARN O=C(CCc1cn[nH]c1)N1CCC(C(F)(F)F)CC1 ZINC000629966600 351559394 /nfs/dbraw/zinc/55/93/94/351559394.db2.gz UNOHSYGVYZLFPJ-UHFFFAOYSA-N 0 0 275.274 2.143 50 0 CEAARN Cc1noc(CNC(=O)c2ccc(Cl)cc2C)n1 ZINC000336500850 213376342 /nfs/dbraw/zinc/37/63/42/213376342.db2.gz YFDJRWJOMAJOKY-UHFFFAOYSA-N 0 0 265.700 2.270 50 0 CEAARN COCC1(CNC(=O)COc2ccc(F)cc2F)CCC1 ZINC000337197456 366069887 /nfs/dbraw/zinc/06/98/87/366069887.db2.gz YMGJAIAYZLPEIQ-UHFFFAOYSA-N 0 0 299.317 2.277 50 0 CEAARN Cc1c(CNC(=O)N(C)[C@@H](C)c2ccccn2)cnn1C ZINC000122007097 187009736 /nfs/dbraw/zinc/00/97/36/187009736.db2.gz XKJCFJIETQSERU-LBPRGKRZSA-N 0 0 287.367 2.026 50 0 CEAARN COCCC(C)(C)CNC(=O)Nc1ccc(F)cn1 ZINC000123166657 187074790 /nfs/dbraw/zinc/07/47/90/187074790.db2.gz PWGNGROZRJDCQN-UHFFFAOYSA-N 0 0 269.320 2.405 50 0 CEAARN O=C(Cc1cccs1)NC[C@@H](O)Cc1ccccc1 ZINC000070956804 363102826 /nfs/dbraw/zinc/10/28/26/363102826.db2.gz LNZRPWXFDLFLHK-ZDUSSCGKSA-N 0 0 275.373 2.010 50 0 CEAARN C/C(=C/C(=O)N1CCC(CC(N)=O)CC1)c1ccccc1 ZINC000071821026 363114317 /nfs/dbraw/zinc/11/43/17/363114317.db2.gz FMPRYTGILCAWPF-QBFSEMIESA-N 0 0 286.375 2.204 50 0 CEAARN CCC(CC)CNC(=O)N1CCN(c2ccccn2)CC1 ZINC000071856722 363117084 /nfs/dbraw/zinc/11/70/84/363117084.db2.gz CFKTZKRZAYEJOH-UHFFFAOYSA-N 0 0 290.411 2.349 50 0 CEAARN CCC[C@H](Nc1nccc(C2CCCC2)n1)C(=O)NC ZINC000071753345 363112565 /nfs/dbraw/zinc/11/25/65/363112565.db2.gz YTQREAVTNXCBMM-ZDUSSCGKSA-N 0 0 276.384 2.461 50 0 CEAARN Cc1nccn1CCCC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000071762238 363112653 /nfs/dbraw/zinc/11/26/53/363112653.db2.gz MCIVQHVROCUNKH-GEEKYZPCSA-N 0 0 287.407 2.476 50 0 CEAARN Cc1nc[nH]c1CN1CCN(c2cc(C)cc(C)c2)C(=O)C1 ZINC000072133871 363121454 /nfs/dbraw/zinc/12/14/54/363121454.db2.gz QLDROMBGJWIBPD-UHFFFAOYSA-N 0 0 298.390 2.184 50 0 CEAARN COC(=O)c1ccc(C(=O)O[C@@H]2CCC[C@H]2OC)s1 ZINC000072280767 363125335 /nfs/dbraw/zinc/12/53/35/363125335.db2.gz UMYNYDRXVFWRHK-RKDXNWHRSA-N 0 0 284.333 2.259 50 0 CEAARN Cc1cn2c(n1)CC[C@@H](NC(=O)CCCc1ccccn1)C2 ZINC000072274104 363125434 /nfs/dbraw/zinc/12/54/34/363125434.db2.gz LSULPDUVKYQLJG-OAHLLOKOSA-N 0 0 298.390 2.040 50 0 CEAARN COC[C@@H](C)N1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000072290607 363126771 /nfs/dbraw/zinc/12/67/71/363126771.db2.gz HXHSPISJGGTZSM-CQSZACIVSA-N 0 0 280.412 2.056 50 0 CEAARN O=C(/C=C/c1ccncc1)N[C@@H]1CCC[C@H]1n1ccnc1 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367244955 /nfs/dbraw/zinc/24/49/55/367244955.db2.gz CSGDSUFNULMFIQ-UHFFFAOYSA-N 0 0 278.352 2.281 50 0 CEAARN O=C(Nc1cnns1)c1nccc2ccccc21 ZINC000170605814 367385927 /nfs/dbraw/zinc/38/59/27/367385927.db2.gz PUEYLXBXPUCXIK-UHFFFAOYSA-N 0 0 256.290 2.339 50 0 CEAARN CCOC(=O)C1(CC(=O)N(C)Cc2nccs2)CCC1 ZINC000170608412 367386074 /nfs/dbraw/zinc/38/60/74/367386074.db2.gz RILSJQULFMPEMS-UHFFFAOYSA-N 0 0 296.392 2.225 50 0 CEAARN C[C@H](CN(C)C(=O)Nc1cnns1)c1nccs1 ZINC000170609576 367387094 /nfs/dbraw/zinc/38/70/94/367387094.db2.gz NIBKHGXWSRDPPJ-SSDOTTSWSA-N 0 0 283.382 2.262 50 0 CEAARN O=C(NC1CCN(C(=O)c2ccc[nH]2)CC1)c1ccccc1 ZINC000170621164 367388764 /nfs/dbraw/zinc/38/87/64/367388764.db2.gz RWPBZLGYYXYYCR-UHFFFAOYSA-N 0 0 297.358 2.049 50 0 CEAARN CN(Cc1nc[nH]n1)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000170636154 367389407 /nfs/dbraw/zinc/38/94/07/367389407.db2.gz JHTOJNMTUCUCHJ-UHFFFAOYSA-N 0 0 292.770 2.394 50 0 CEAARN O=C(COCc1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000172385412 367731747 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C[C@@H](CCc1ccco1)NC(=O)c1ccc(C(N)=O)cc1 ZINC000047742884 362223046 /nfs/dbraw/zinc/22/30/46/362223046.db2.gz XXFGHBDURSLSTF-NSHDSACASA-N 0 0 286.331 2.130 50 0 CEAARN CC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000047740594 362223979 /nfs/dbraw/zinc/22/39/79/362223979.db2.gz CAPDNRBRDWOVHV-UHFFFAOYSA-N 0 0 299.168 2.244 50 0 CEAARN CC(=O)Nc1nc(C(=O)N[C@H]2CCCC[C@@H]2C)cs1 ZINC000048079470 362244446 /nfs/dbraw/zinc/24/44/46/362244446.db2.gz AFGDQZYAURNHPA-WPRPVWTQSA-N 0 0 281.381 2.410 50 0 CEAARN CC1=NN(Cc2ccc(Cl)cc2)C(=O)C1C=O ZINC000047843808 362227447 /nfs/dbraw/zinc/22/74/47/362227447.db2.gz ZWAWGPNNQLJZJK-UHFFFAOYSA-N 0 0 250.685 2.411 50 0 CEAARN CC[C@H](C)C[C@@H](NC(=O)c1ccc(O)c(F)c1)C(=O)OC ZINC000585089807 539317000 /nfs/dbraw/zinc/31/70/00/539317000.db2.gz FKSOZOMQLLZSTE-JOYOIKCWSA-N 0 0 297.326 2.239 50 0 CEAARN COC(=O)C1=C(C(=O)OC)[C@@H]2C(=CC1)[C@@H]1C=C[C@@H]3C=C[C@H]2[C@H]13 ZINC000043761966 343466612 /nfs/dbraw/zinc/46/66/12/343466612.db2.gz FCHYOJOKOUARRP-XBMQVOARSA-N 0 0 298.338 2.193 50 0 CEAARN CC[C@@H](C)NC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000048140203 362247155 /nfs/dbraw/zinc/24/71/55/362247155.db2.gz SHRFDPRPGWKVHI-SNVBAGLBSA-N 0 0 259.313 2.187 50 0 CEAARN COc1ccccc1C(=O)N1CC[C@H](Nc2cccnc2)C1 ZINC000065267773 343696696 /nfs/dbraw/zinc/69/66/96/343696696.db2.gz PJHZWBKFLQDUOC-AWEZNQCLSA-N 0 0 297.358 2.417 50 0 CEAARN COCCNc1nnc(-c2nnc(C)o2)c2ccccc21 ZINC000065258132 343696794 /nfs/dbraw/zinc/69/67/94/343696794.db2.gz XVVJDMRLOYMHCD-UHFFFAOYSA-N 0 0 285.307 2.047 50 0 CEAARN CCC(CC)[C@H](O)CNC(=O)NCc1ccoc1C ZINC000072277839 343802594 /nfs/dbraw/zinc/80/25/94/343802594.db2.gz ILPMMJPZLHMVAT-CYBMUJFWSA-N 0 0 268.357 2.184 50 0 CEAARN CCC[C@](C)(CO)NC(=O)Nc1ccccc1OC ZINC000072288990 343802850 /nfs/dbraw/zinc/80/28/50/343802850.db2.gz XGGYAXXLKVUCJK-CQSZACIVSA-N 0 0 266.341 2.368 50 0 CEAARN Cc1cn2nc(N3CCC[C@H](c4cc[nH]n4)C3)sc2n1 ZINC000072270570 343802971 /nfs/dbraw/zinc/80/29/71/343802971.db2.gz QSFGZYIKUXKVMC-JTQLQIEISA-N 0 0 288.380 2.206 50 0 CEAARN COC(=O)[C@@H](NC(=O)c1cccc2[nH]ccc21)C(C)(C)C ZINC000072310382 343803456 /nfs/dbraw/zinc/80/34/56/343803456.db2.gz YDJVMAGFYSTICR-CYBMUJFWSA-N 0 0 288.347 2.485 50 0 CEAARN Cc1c(F)cccc1NC(=O)COC[C@H]1CCCO1 ZINC000073392743 343829137 /nfs/dbraw/zinc/82/91/37/343829137.db2.gz BSKWPWMHVAEVPM-LLVKDONJSA-N 0 0 267.300 2.268 50 0 CEAARN COCc1nc(C)cc(N[C@@H]2CCCC[C@H]2OC)n1 ZINC000075055017 343835396 /nfs/dbraw/zinc/83/53/96/343835396.db2.gz ORPRCMAIMQOPNI-VXGBXAGGSA-N 0 0 265.357 2.301 50 0 CEAARN COC(=O)C[C@H](NC(=O)CC1CCCC1)C1CC1 ZINC000075108764 343838387 /nfs/dbraw/zinc/83/83/87/343838387.db2.gz PGTCNQXIVDUYMB-LBPRGKRZSA-N 0 0 253.342 2.025 50 0 CEAARN Cc1ccc(C(=O)NCc2ccc3c(c2)CCC3)c(=O)[nH]1 ZINC000075120040 343838833 /nfs/dbraw/zinc/83/88/33/343838833.db2.gz WLONOUYMQMUNBZ-UHFFFAOYSA-N 0 0 282.343 2.102 50 0 CEAARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)c(=O)[nH]1 ZINC000075122671 343838976 /nfs/dbraw/zinc/83/89/76/343838976.db2.gz KWFUVOUWSXCAMD-CQSZACIVSA-N 0 0 283.331 2.056 50 0 CEAARN Cc1ccc(C(=O)NCCCCc2ccccc2)c(=O)[nH]1 ZINC000075119063 343838979 /nfs/dbraw/zinc/83/89/79/343838979.db2.gz RJRYZMUFWBPLCA-UHFFFAOYSA-N 0 0 284.359 2.436 50 0 CEAARN COC(=O)C[C@H]1Cc2cc(OC)cc(OC)c2C(=O)C1 ZINC000075249796 343843249 /nfs/dbraw/zinc/84/32/49/343843249.db2.gz AQAFWNJQHUBMRB-VIFPVBQESA-N 0 0 278.304 2.012 50 0 CEAARN COc1cc(C)nc(Nc2nc3ccc(C)cc3c(=O)[nH]2)n1 ZINC000075278652 343844900 /nfs/dbraw/zinc/84/49/00/343844900.db2.gz YAFQJVQKUWCSAV-UHFFFAOYSA-N 0 0 297.318 2.082 50 0 CEAARN CC1(C)CC(NC(=O)c2cccnc2)CC(C)(C)N1O ZINC000075279702 343844953 /nfs/dbraw/zinc/84/49/53/343844953.db2.gz KPDCPUQGARAZJH-UHFFFAOYSA-N 0 0 277.368 2.222 50 0 CEAARN Cc1occc1CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000076021251 343876565 /nfs/dbraw/zinc/87/65/65/343876565.db2.gz HXCWXIMWRQLRBM-UPJWGTAASA-N 0 0 278.352 2.201 50 0 CEAARN C[S@](=O)c1ccc(NC(=O)/C=C/c2cccnc2)cc1 ZINC000076042142 343877457 /nfs/dbraw/zinc/87/74/57/343877457.db2.gz OIMAKDFAFNKPTI-CWFIWJMMSA-N 0 0 286.356 2.471 50 0 CEAARN CCn1ncc2c1CCC[C@@H]2N[C@@H](C(N)=O)c1ccccc1 ZINC000076047038 343877548 /nfs/dbraw/zinc/87/75/48/343877548.db2.gz DNIMYZPOAJLWTL-GOEBONIOSA-N 0 0 298.390 2.097 50 0 CEAARN C[C@H](NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)c1nncn1C ZINC000076066496 343878429 /nfs/dbraw/zinc/87/84/29/343878429.db2.gz GACOMRGZKGLHGY-SGMGOOAPSA-N 0 0 299.378 2.279 50 0 CEAARN C[C@@H](NC(=O)NCC(C)(C)C[C@H](C)O)c1nccs1 ZINC000076086993 343879650 /nfs/dbraw/zinc/87/96/50/343879650.db2.gz NKEDGFWROBEZHS-VHSXEESVSA-N 0 0 285.413 2.300 50 0 CEAARN O=C(NCc1ccco1)NC[C@@H]1Cc2ccccc2O1 ZINC000048301888 362253505 /nfs/dbraw/zinc/25/35/05/362253505.db2.gz SOPIADBKDZHGGT-ZDUSSCGKSA-N 0 0 272.304 2.083 50 0 CEAARN C[C@@H](NS(C)(=O)=O)c1cccc(C(F)(F)F)c1 ZINC000048324809 362254486 /nfs/dbraw/zinc/25/44/86/362254486.db2.gz RLJIRNVDMFFHIC-SSDOTTSWSA-N 0 0 267.272 2.316 50 0 CEAARN C[C@H](Cn1ccnc1)NC(=O)c1cc2c(s1)CCC2 ZINC000048303783 362254532 /nfs/dbraw/zinc/25/45/32/362254532.db2.gz INHJHWFAUOQNJU-SNVBAGLBSA-N 0 0 275.377 2.252 50 0 CEAARN Cn1cnnc1[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000048332561 362255156 /nfs/dbraw/zinc/25/51/56/362255156.db2.gz VCRINEIVXXJKRW-LBPRGKRZSA-N 0 0 294.362 2.142 50 0 CEAARN COc1ccc(NC(=O)c2cc(C)no2)cc1F ZINC000048345262 362259690 /nfs/dbraw/zinc/25/96/90/362259690.db2.gz LXIYADSSRJPRQI-UHFFFAOYSA-N 0 0 250.229 2.383 50 0 CEAARN Cc1cccc(Cn2nc(-c3ccco3)oc2=O)c1 ZINC000048388629 362263363 /nfs/dbraw/zinc/26/33/63/362263363.db2.gz AZRNCDGCVOSPHU-UHFFFAOYSA-N 0 0 256.261 2.453 50 0 CEAARN COCc1cccc(C(=O)OC[C@@H]2CCCOC2)c1 ZINC000079105345 343973375 /nfs/dbraw/zinc/97/33/75/343973375.db2.gz XQENXRNZQCUOAA-CYBMUJFWSA-N 0 0 264.321 2.416 50 0 CEAARN COC(C)(C)C[C@@H](C)Nc1ccnc(N(C)C)n1 ZINC000078402400 343951209 /nfs/dbraw/zinc/95/12/09/343951209.db2.gz JZRBGHSTSUCYMS-SNVBAGLBSA-N 0 0 252.362 2.158 50 0 CEAARN CO[C@@H](CN1C(=O)[C@H](C)NC1=S)c1ccc(Cl)cc1 ZINC000078903809 343966217 /nfs/dbraw/zinc/96/62/17/343966217.db2.gz MQPPKSJGGXJGFG-KWQFWETISA-N 0 0 298.795 2.133 50 0 CEAARN Cc1nc(CNC(=O)[C@H]2COc3ccccc3C2)cs1 ZINC000048606837 362291165 /nfs/dbraw/zinc/29/11/65/362291165.db2.gz FASAYRFCFOPFEL-GFCCVEGCSA-N 0 0 288.372 2.319 50 0 CEAARN CCS(=O)(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000048904524 362308777 /nfs/dbraw/zinc/30/87/77/362308777.db2.gz VTDFFTHTGYFETK-SNVBAGLBSA-N 0 0 296.392 2.035 50 0 CEAARN C[C@H](C(=O)NCc1ccccc1)N(C)Cc1cscn1 ZINC000049068932 362331991 /nfs/dbraw/zinc/33/19/91/362331991.db2.gz DTIKRPWGOVHZGI-GFCCVEGCSA-N 0 0 289.404 2.280 50 0 CEAARN Cc1nn(C)c(Cl)c1/C=C\C(=O)NCc1ccoc1 ZINC000048998930 362319958 /nfs/dbraw/zinc/31/99/58/362319958.db2.gz WVTUXVYQYCEUBT-ARJAWSKDSA-N 0 0 279.727 2.305 50 0 CEAARN O=C(Nc1nnc(-c2cccs2)o1)c1ccccn1 ZINC000049026023 362323720 /nfs/dbraw/zinc/32/37/20/362323720.db2.gz NQZARYYQCQRCKC-UHFFFAOYSA-N 0 0 272.289 2.445 50 0 CEAARN NC(=O)c1cc(Cl)ccc1NCc1nc(C2CC2)no1 ZINC000049066843 362330602 /nfs/dbraw/zinc/33/06/02/362330602.db2.gz HCXXURIIQZUQGC-UHFFFAOYSA-N 0 0 292.726 2.311 50 0 CEAARN CCCCS[C@@H](C)C(=O)NCc1ccc(C(N)=O)cc1 ZINC000048722012 362300601 /nfs/dbraw/zinc/30/06/01/362300601.db2.gz NRVWPBCOBDBFLJ-NSHDSACASA-N 0 0 294.420 2.324 50 0 CEAARN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1O ZINC000049341046 362354289 /nfs/dbraw/zinc/35/42/89/362354289.db2.gz YOQJQWYMQATCLS-NEPJUHHUSA-N 0 0 279.336 2.305 50 0 CEAARN CC(=O)Nc1ccccc1CN1C[C@@H](C)OC[C@H]1C ZINC000092018251 344175885 /nfs/dbraw/zinc/17/58/85/344175885.db2.gz ODGWIRUAVWQIDQ-VXGBXAGGSA-N 0 0 262.353 2.254 50 0 CEAARN Cn1ccc2c1cccc2C(=O)N1CCSCC1 ZINC000089756701 344128800 /nfs/dbraw/zinc/12/88/00/344128800.db2.gz LYMYZPZJPDOYBM-UHFFFAOYSA-N 0 0 260.362 2.367 50 0 CEAARN C[C@@H]1c2ccccc2CN1S(=O)(=O)CCCF ZINC000095964172 344237746 /nfs/dbraw/zinc/23/77/46/344237746.db2.gz YOEGDMKVJYQAQV-SNVBAGLBSA-N 0 0 257.330 2.253 50 0 CEAARN O=C(NCc1ccc2c(c1)OCO2)N1CCC=C(F)C1 ZINC000095996657 344238460 /nfs/dbraw/zinc/23/84/60/344238460.db2.gz HLBDPNJWYJFORV-UHFFFAOYSA-N 0 0 278.283 2.184 50 0 CEAARN CCc1ccc(-c2nc([C@@H]3CN(C)CCO3)no2)cc1 ZINC000095999194 344238645 /nfs/dbraw/zinc/23/86/45/344238645.db2.gz QLICWYKFGFURPZ-ZDUSSCGKSA-N 0 0 273.336 2.302 50 0 CEAARN CC(C)NC(=O)NCc1noc(-c2cccs2)n1 ZINC000049477356 362365326 /nfs/dbraw/zinc/36/53/26/362365326.db2.gz CMKDYXUMUQVGER-UHFFFAOYSA-N 0 0 266.326 2.006 50 0 CEAARN O=C(CNC(=O)c1cccc2cc[nH]c21)c1ccco1 ZINC000097372586 344244710 /nfs/dbraw/zinc/24/47/10/344244710.db2.gz CVDYZNRPTNGADK-UHFFFAOYSA-N 0 0 268.272 2.374 50 0 CEAARN CCO[C@@H](C)c1nccn1Cc1n[nH]c(C2CC2)n1 ZINC000097378375 344245762 /nfs/dbraw/zinc/24/57/62/344245762.db2.gz OZBVOZPFDLVUHV-VIFPVBQESA-N 0 0 261.329 2.024 50 0 CEAARN CCC(=O)N1CC[C@@H](c2nc3cccnc3n2CC)C1 ZINC000097944743 344246865 /nfs/dbraw/zinc/24/68/65/344246865.db2.gz OZQZHAVAOAJGOV-LLVKDONJSA-N 0 0 272.352 2.177 50 0 CEAARN Cc1nn(-c2ccccn2)c(C)c1[C@H]1C=C[C@@H](O)C1 ZINC000049587739 362372925 /nfs/dbraw/zinc/37/29/25/362372925.db2.gz SEQLTRFVFDAKMY-QWHCGFSZSA-N 0 0 255.321 2.289 50 0 biogenic,in-vitro CEAARN CCc1noc(CN(C)Cc2ncc(C)c(OC)c2C)n1 ZINC000110030958 344268005 /nfs/dbraw/zinc/26/80/05/344268005.db2.gz WXUZBELNAUDZFW-UHFFFAOYSA-N 0 0 290.367 2.284 50 0 CEAARN CNC(=O)CCOC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000097103744 344243283 /nfs/dbraw/zinc/24/32/83/344243283.db2.gz RVSMYKQVIKKLAF-UHFFFAOYSA-N 0 0 275.304 2.343 50 0 CEAARN Cc1ccc2c(c1)[C@@H](NC(=O)Cn1ccnc1)[C@H](C)C2 ZINC000097236485 344243980 /nfs/dbraw/zinc/24/39/80/344243980.db2.gz WYINZIAKBBBVKP-WBMJQRKESA-N 0 0 269.348 2.241 50 0 CEAARN O=C(Cc1cccs1)NC[C@@H](O)c1cccs1 ZINC000049859259 362380707 /nfs/dbraw/zinc/38/07/07/362380707.db2.gz KUNQUBFSHIILAH-SNVBAGLBSA-N 0 0 267.375 2.202 50 0 CEAARN O=C(NC[C@@H](O)c1cccs1)c1ccccc1F ZINC000049856512 362381540 /nfs/dbraw/zinc/38/15/40/362381540.db2.gz CLMQAEHYSMQKDH-LLVKDONJSA-N 0 0 265.309 2.351 50 0 CEAARN CCc1noc(CC)c1CNC(=O)Nc1ncco1 ZINC000155368199 344437918 /nfs/dbraw/zinc/43/79/18/344437918.db2.gz MMLXFIMUWNPVIP-UHFFFAOYSA-N 0 0 264.285 2.109 50 0 CEAARN 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ZINC000252486148 371444239 /nfs/dbraw/zinc/44/42/39/371444239.db2.gz HIEFIDWWXTYMKN-CYBMUJFWSA-N 0 0 283.397 2.262 50 0 CEAARN Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)C1CCOCC1 ZINC000252498646 371447074 /nfs/dbraw/zinc/44/70/74/371447074.db2.gz RGZGASLYIVXLCQ-SNVBAGLBSA-N 0 0 292.379 2.480 50 0 CEAARN CN(CCc1cn[nH]c1)Cc1noc(C2CCCC2)n1 ZINC000252502237 371448687 /nfs/dbraw/zinc/44/86/87/371448687.db2.gz UNZNTYQJIJFOOO-UHFFFAOYSA-N 0 0 275.356 2.125 50 0 CEAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)C[C@H]2CCCO2)o1 ZINC000252504706 371448935 /nfs/dbraw/zinc/44/89/35/371448935.db2.gz DDBHDIAZXYLKSL-CHWSQXEVSA-N 0 0 299.392 2.234 50 0 CEAARN CC[C@H](C)[C@H](CO)NC(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000252536806 371452932 /nfs/dbraw/zinc/45/29/32/371452932.db2.gz JPGHBMSKHSVBGM-ZANVPECISA-N 0 0 293.392 2.275 50 0 CEAARN CC[C@H]1CC[C@H](C(=O)NCCn2cnnc2C2CC2)CC1 ZINC000252536324 371452956 /nfs/dbraw/zinc/45/29/56/371452956.db2.gz IEDISWKPZCPTRF-MQMHXKEQSA-N 0 0 290.411 2.488 50 0 CEAARN 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/nfs/dbraw/zinc/85/69/62/277856962.db2.gz VXUJVRGPMWMDSF-UHFFFAOYSA-N 0 0 283.287 2.002 50 0 CEAARN COc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OC ZINC000000426078 277908413 /nfs/dbraw/zinc/90/84/13/277908413.db2.gz SRLBVZWEYXYOSE-VXGBXAGGSA-N 0 0 287.315 2.159 50 0 CEAARN CC(=O)N(c1ccc(C(C)C)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000001069518 277975856 /nfs/dbraw/zinc/97/58/56/277975856.db2.gz NHWMUNAZIJRZRH-OAHLLOKOSA-N 0 0 293.388 2.474 50 0 CEAARN CC(C)c1ccc(/C=C\C(=O)NN2CCOCC2)cc1 ZINC000005825677 278021579 /nfs/dbraw/zinc/02/15/79/278021579.db2.gz WBPVMKSBSFTNCZ-YVMONPNESA-N 0 0 274.364 2.187 50 0 CEAARN C[C@@H]1Sc2ccc(C(=O)NC3CC3)cc2NC1=O ZINC000009503873 278073771 /nfs/dbraw/zinc/07/37/71/278073771.db2.gz PIADAUNCQMKHPF-ZETCQYMHSA-N 0 0 262.334 2.012 50 0 CEAARN CC(C)n1ccnc1CN(C)CC1(CO)CCC1 ZINC000299762619 278134509 /nfs/dbraw/zinc/13/45/09/278134509.db2.gz OKVYZSWBOFLUMZ-UHFFFAOYSA-N 0 0 251.374 2.058 50 0 CEAARN CC(=O)O[C@]1(c2ccccn2)COc2ccccc2O1 ZINC000000041814 278222552 /nfs/dbraw/zinc/22/25/52/278222552.db2.gz XEKYZZMRDLHUBV-OAHLLOKOSA-N 0 0 271.272 2.269 50 0 CEAARN CC(=O)O[C@]12C(=O)N(C(C)(C)C)C[C@H]1[C@H]2c1ccccc1 ZINC000248260463 278222564 /nfs/dbraw/zinc/22/25/64/278222564.db2.gz VZAMPFCWFUZFLI-JJRVBVJISA-N 0 0 287.359 2.343 50 0 CEAARN CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000000286057 278249076 /nfs/dbraw/zinc/24/90/76/278249076.db2.gz CEJQPJZKUDGSLA-NSHDSACASA-N 0 0 281.377 2.452 50 0 CEAARN CC1(C)CNC(=O)c2[nH]c(-c3ccccc3)nc2C1 ZINC000095379704 278349840 /nfs/dbraw/zinc/34/98/40/278349840.db2.gz OSYYTXKEYLGMDW-UHFFFAOYSA-N 0 0 255.321 2.389 50 0 CEAARN CC(C)(C)OC(=O)N[C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC000066055121 278443971 /nfs/dbraw/zinc/44/39/71/278443971.db2.gz IHMWVWBSRVQKQQ-JGVFFNPUSA-N 0 0 268.279 2.194 50 0 CEAARN C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@]1(C)O ZINC000091792730 288048543 /nfs/dbraw/zinc/04/85/43/288048543.db2.gz NELCQYDNOLDDGB-RNCFNFMXSA-N 0 0 253.729 2.183 50 0 CEAARN C[C@@H]1CN(C(=S)c2ccc(O)cc2)C[C@H](C)O1 ZINC000013552281 288065479 /nfs/dbraw/zinc/06/54/79/288065479.db2.gz YJEFVZFSQYIPKZ-AOOOYVTPSA-N 0 0 251.351 2.177 50 0 CEAARN Cc1cc(N2CCC3(CCOCC3)CC2)n2nccc2n1 ZINC000072430565 278707881 /nfs/dbraw/zinc/70/78/81/278707881.db2.gz MIIYYAZIWFSZFN-UHFFFAOYSA-N 0 0 286.379 2.435 50 0 CEAARN Cc1cc(NC(=O)c2ccc3ccccc3n2)[nH]c(=O)n1 ZINC000097082742 278731964 /nfs/dbraw/zinc/73/19/64/278731964.db2.gz PCGGMRAXHPVFLJ-UHFFFAOYSA-N 0 0 280.287 2.291 50 0 CEAARN Cc1csc(NC(=O)c2cc(N3CCCC3)ncn2)n1 ZINC000225535384 279044681 /nfs/dbraw/zinc/04/46/81/279044681.db2.gz DFGGTKNKVNYTSJ-UHFFFAOYSA-N 0 0 289.364 2.094 50 0 CEAARN C[C@@H]1SCCN(CC(=O)NC2CC2)[C@@H]1c1ccccc1 ZINC000071911191 279072294 /nfs/dbraw/zinc/07/22/94/279072294.db2.gz AYTSMAUVOSYRSP-LRDDRELGSA-N 0 0 290.432 2.444 50 0 CEAARN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccnn1C ZINC000175720823 279095071 /nfs/dbraw/zinc/09/50/71/279095071.db2.gz HPLIPIXPFSXBBL-OCCSQVGLSA-N 0 0 269.348 2.438 50 0 CEAARN Cc1nc2c(cnn2C)c(N[C@@H]2COC3(CCCC3)C2)n1 ZINC000095377350 279114405 /nfs/dbraw/zinc/11/44/05/279114405.db2.gz HNNPDLZUBZAHIX-NSHDSACASA-N 0 0 287.367 2.185 50 0 CEAARN Cc1nccn1-c1ncccc1CNC(=O)N(C)C1CCC1 ZINC000095962779 279169473 /nfs/dbraw/zinc/16/94/73/279169473.db2.gz UNHIBZWWSBBSLZ-UHFFFAOYSA-N 0 0 299.378 2.270 50 0 CEAARN Cc1nnc2ccc(N3CC[C@H]4CCCC[C@@H]4C3)nn12 ZINC000048331903 279236511 /nfs/dbraw/zinc/23/65/11/279236511.db2.gz RIRCBVAHSDIMCV-CHWSQXEVSA-N 0 0 271.368 2.449 50 0 CEAARN Cc1nnc2ccc(N[C@H]3CCO[C@H]3c3ccccc3)nn12 ZINC000084297191 279236711 /nfs/dbraw/zinc/23/67/11/279236711.db2.gz HMPWUMVWFIDNDY-BBRMVZONSA-N 0 0 295.346 2.375 50 0 CEAARN Cc1nnc2n1CCN(Cc1c(F)cccc1Cl)C2 ZINC000065289141 279238249 /nfs/dbraw/zinc/23/82/49/279238249.db2.gz ZYPNHLGYZZMXFI-UHFFFAOYSA-N 0 0 280.734 2.395 50 0 CEAARN Cc1nnc2sc(Cc3ccc(Cl)cc3)nn2c1=O ZINC000006759103 279242071 /nfs/dbraw/zinc/24/20/71/279242071.db2.gz JJVDKNHQCRVWIW-UHFFFAOYSA-N 0 0 292.751 2.099 50 0 CEAARN Clc1cc(N2CCCC2)nc(N2CCCC2)n1 ZINC000000087028 279290957 /nfs/dbraw/zinc/29/09/57/279290957.db2.gz AAFYAIHAKSPWOE-UHFFFAOYSA-N 0 0 252.749 2.330 50 0 CEAARN Fc1nc(F)c(F)c(-n2nnc3ccccc32)c1F ZINC000001512915 279474503 /nfs/dbraw/zinc/47/45/03/279474503.db2.gz YVVFZHPHIKUJDN-UHFFFAOYSA-N 0 0 268.173 2.372 50 0 CEAARN CCOC(=O)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000435999 279575598 /nfs/dbraw/zinc/57/55/98/279575598.db2.gz RBNSTFFOWYGZFB-OIBJUYFYSA-N 0 0 280.246 2.256 50 0 CEAARN CCOC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)CCC(=O)O1 ZINC000261492905 279608830 /nfs/dbraw/zinc/60/88/30/279608830.db2.gz MTIPSGHITLBOJF-MEDUHNTESA-N 0 0 292.331 2.427 50 0 CEAARN NC(=S)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000001401203 279613457 /nfs/dbraw/zinc/61/34/57/279613457.db2.gz GAAVXFWCTHXPOI-IINYFYTJSA-N 0 0 286.356 2.380 50 0 CEAARN CCOC(=O)c1cnn2c1N[C@H](C)C[C@H]2C(F)(F)F ZINC000002766767 279642003 /nfs/dbraw/zinc/64/20/03/279642003.db2.gz UDXJLIKCULSEGE-SVRRBLITSA-N 0 0 277.246 2.367 50 0 CEAARN O=C(Nc1ccon1)c1cc2ccccc2oc1=O ZINC000001052396 280046771 /nfs/dbraw/zinc/04/67/71/280046771.db2.gz WTCZZONRBYXRDO-UHFFFAOYSA-N 0 0 256.217 2.033 50 0 CEAARN O=C1Nc2cc(Cl)c(Br)cc2C1=O ZINC000077024151 280302686 /nfs/dbraw/zinc/30/26/86/280302686.db2.gz CBTNJOAZPMPZDZ-UHFFFAOYSA-N 0 0 260.474 2.237 50 0 CEAARN O=C1Nc2ccccc2C(=O)N2c3ccccc3C[C@H]12 ZINC000049543697 280303449 /nfs/dbraw/zinc/30/34/49/280303449.db2.gz WPDQTUIEHQISKR-CQSZACIVSA-N 0 0 264.284 2.210 50 0 CEAARN c1cc2c(cc1-c1nnc3n1CCCCC3)OCCO2 ZINC000008877997 280471126 /nfs/dbraw/zinc/47/11/26/280471126.db2.gz UQENFISYNVIISK-UHFFFAOYSA-N 0 0 271.320 2.443 50 0 CEAARN Cc1cc(Cl)ccc1NC(=S)NN1CCN(C)CC1 ZINC000000305237 280508395 /nfs/dbraw/zinc/50/83/95/280508395.db2.gz CWIQCKUHSYFOHH-UHFFFAOYSA-N 0 0 298.843 2.097 50 0 CEAARN CC(C)n1cc(S(=O)(=O)N2CCCC[C@@H]2C)cn1 ZINC000072239243 280766433 /nfs/dbraw/zinc/76/64/33/280766433.db2.gz WDTXKJPCIPOSRT-NSHDSACASA-N 0 0 271.386 2.027 50 0 CEAARN CC[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CSC(=O)N1 ZINC000081408016 281276461 /nfs/dbraw/zinc/27/64/61/281276461.db2.gz CPVHFGLOGIZTFV-STQMWFEESA-N 0 0 290.388 2.347 50 0 CEAARN CC1(C)[C@@H](CN2C(=O)NC(C)(C)C2=O)C1(Cl)Cl ZINC000003214581 281441011 /nfs/dbraw/zinc/44/10/11/281441011.db2.gz FYBOFCDFELTKAI-ZCFIWIBFSA-N 0 0 279.167 2.147 50 0 CEAARN Cc1ccnc(NC(=O)c2cc3ccccc3[nH]c2=O)c1 ZINC000011700711 281468435 /nfs/dbraw/zinc/46/84/35/281468435.db2.gz KBFZMHSGTRDJON-UHFFFAOYSA-N 0 0 279.299 2.484 50 0 CEAARN CC12CN3CC(C)(CN(C1)C3C1CCCCC1)C2=O ZINC000096448103 281612158 /nfs/dbraw/zinc/61/21/58/281612158.db2.gz IXLCYBJAYUUCLN-UHFFFAOYSA-N 0 0 262.397 2.119 50 0 CEAARN Cc1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1 ZINC000000534959 282047905 /nfs/dbraw/zinc/04/79/05/282047905.db2.gz XUMKJACFLVVHIP-UHFFFAOYSA-N 0 0 284.710 2.425 50 0 CEAARN OCC[C@@H]1CCCCN1Cc1nc(C2CCCC2)no1 ZINC000152410337 289087463 /nfs/dbraw/zinc/08/74/63/289087463.db2.gz NNNGPUHBJVDGFY-ZDUSSCGKSA-N 0 0 279.384 2.464 50 0 CEAARN CN(C)c1ncc([C@@H]2NC(=O)[C@H]3CCCCN32)s1 ZINC000078758899 289435869 /nfs/dbraw/zinc/43/58/69/289435869.db2.gz SZVMZQFKQDXXER-PSASIEDQSA-N 0 0 266.370 2.032 50 0 CEAARN C[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)OCCO2 ZINC000071856470 290518191 /nfs/dbraw/zinc/51/81/91/290518191.db2.gz QUNMKHWLZWAQKU-CMPLNLGQSA-N 0 0 261.321 2.376 50 0 CEAARN Cc1csc(N2C(=O)[C@@H](CC(C)C)N(C)C2=O)n1 ZINC000170613867 293033729 /nfs/dbraw/zinc/03/37/29/293033729.db2.gz HQUGLTKIDJPQHP-SECBINFHSA-N 0 0 267.354 2.265 50 0 CEAARN Cc1nnc([C@H]2CN([C@H](C)c3ccc(F)cc3)CCO2)[nH]1 ZINC000247218247 293126211 /nfs/dbraw/zinc/12/62/11/293126211.db2.gz VWSNTPKWUZMVQO-QMTHXVAHSA-N 0 0 290.342 2.387 50 0 CEAARN Cc1[nH]nc2c1[C@@H](c1cccc(F)c1)C1C(=O)OCC1=N2 ZINC000020086440 293126689 /nfs/dbraw/zinc/12/66/89/293126689.db2.gz SGXXTYBZEUIHFE-GFCCVEGCSA-N 0 0 285.278 2.226 50 0 CEAARN Cc1n[nH]c2cc(I)ccc12 ZINC000016677958 293128246 /nfs/dbraw/zinc/12/82/46/293128246.db2.gz WZFXTMDHAKOGFQ-UHFFFAOYSA-N 0 0 258.062 2.476 50 0 CEAARN Cc1nc2c(o1)n(C)c(=S)n(-c1ccccc1)c2=N ZINC000102479484 293419922 /nfs/dbraw/zinc/41/99/22/293419922.db2.gz AIEIHQATXLMEJC-UHFFFAOYSA-N 0 0 272.333 2.474 50 0 CEAARN Cc1nnc(NC(=O)N[C@H]2CCOc3ccccc32)s1 ZINC000043407573 293853628 /nfs/dbraw/zinc/85/36/28/293853628.db2.gz UICBMKVWRKDPDM-JTQLQIEISA-N 0 0 290.348 2.492 50 0 CEAARN Cc1noc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n1 ZINC000056912078 293953604 /nfs/dbraw/zinc/95/36/04/293953604.db2.gz QQTSNJODCBIKLH-GHMZBOCLSA-N 0 0 261.256 2.259 50 0 CEAARN Cc1nscc1C(=O)N1CCOc2ncc(C)cc21 ZINC000183490934 294012617 /nfs/dbraw/zinc/01/26/17/294012617.db2.gz BUYWBBKRSKGWCO-UHFFFAOYSA-N 0 0 275.333 2.194 50 0 CEAARN Ic1nccn1[C@H]1CCCCO1 ZINC000038538303 294780003 /nfs/dbraw/zinc/78/00/03/294780003.db2.gz UWFGOSIGMHYERY-SSDOTTSWSA-N 0 0 278.093 2.187 50 0 CEAARN NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000009451954 295047221 /nfs/dbraw/zinc/04/72/21/295047221.db2.gz AWMOGDMITXSPMF-HNNXBMFYSA-N 0 0 272.373 2.181 50 0 CEAARN COc1cccc(C(=O)N2C[C@@H](C)OCC2(C)C)c1 ZINC000036075964 295286837 /nfs/dbraw/zinc/28/68/37/295286837.db2.gz RRBHKONDVFXJEO-LLVKDONJSA-N 0 0 263.337 2.335 50 0 CEAARN COc1ccccc1-n1ncnc1[C@@H]1CCCCN1C ZINC000091694164 295345800 /nfs/dbraw/zinc/34/58/00/295345800.db2.gz DTFFUHWFFLPRID-ZDUSSCGKSA-N 0 0 272.352 2.433 50 0 CEAARN Nc1cnc2ccccc2c1I ZINC000000715662 295366003 /nfs/dbraw/zinc/36/60/03/295366003.db2.gz VBANBLPCZKEQAB-UHFFFAOYSA-N 0 0 270.073 2.422 50 0 CEAARN O=C(C1=NNC[C@@H]1c1ccccc1)[C@H]1O[C@H]1c1ccccc1 ZINC000005163193 295430960 /nfs/dbraw/zinc/43/09/60/295430960.db2.gz VGLKWFIRMLZXIE-FHLIZLRMSA-N 0 0 292.338 2.439 50 0 CEAARN CS[C@@H](CO)[C@H](C)NC(=O)C1CCCCCC1 ZINC000095971325 295635472 /nfs/dbraw/zinc/63/54/72/295635472.db2.gz XTRMEERMASZISN-JQWIXIFHSA-N 0 0 259.415 2.185 50 0 CEAARN O=C(NCC[C@@H](O)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000077107652 295652673 /nfs/dbraw/zinc/65/26/73/295652673.db2.gz VGVRWHPJYUCDLB-XWWZASNVSA-N 0 0 277.408 2.480 50 0 CEAARN CCC(NC(=O)c1c[nH]c(C)cc1=O)(C1CC1)C1CC1 ZINC000529796394 297992416 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COCC1(NC(=O)c2cc(C(F)(F)F)n[nH]2)CCCC1 ZINC000097681677 364514929 /nfs/dbraw/zinc/51/49/29/364514929.db2.gz PZGMQRDMUHHEQV-UHFFFAOYSA-N 0 0 291.273 2.118 50 0 CEAARN Cc1csc(C2=C(N)N(C[C@H]3CCCO3)CC2=O)n1 ZINC000102727009 364607752 /nfs/dbraw/zinc/60/77/52/364607752.db2.gz AAYJJUXQGBMJAR-SECBINFHSA-N 0 0 279.365 2.192 50 0 CEAARN C/C=C/C=C\C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000103281155 364639145 /nfs/dbraw/zinc/63/91/45/364639145.db2.gz ONDBLXFFNGCFPQ-BEHOXYOFSA-N 0 0 276.311 2.355 50 0 CEAARN CCOCC(=O)NCc1cccc(C)c1Br ZINC000191733882 189603194 /nfs/dbraw/zinc/60/31/94/189603194.db2.gz ZLWXNVPFNQBKSG-UHFFFAOYSA-N 0 0 286.169 2.410 50 0 CEAARN O=C(N[C@H]1CCCCC[C@H]1CO)c1cc(C2CC2)on1 ZINC000241644357 370783201 /nfs/dbraw/zinc/78/32/01/370783201.db2.gz PQDQMJPIPVQTEH-RYUDHWBXSA-N 0 0 278.352 2.223 50 0 CEAARN CC(=O)c1ccccc1NC(=O)CN1CCC(F)(F)C1 ZINC000241588531 370783989 /nfs/dbraw/zinc/78/39/89/370783989.db2.gz PDWJXYTWZUXOLM-UHFFFAOYSA-N 0 0 282.290 2.169 50 0 CEAARN C[C@H](CN1CCNC(=O)CC1)c1cccc(Cl)c1 ZINC000195572933 189681508 /nfs/dbraw/zinc/68/15/08/189681508.db2.gz FQUAVRDANGAQJN-LLVKDONJSA-N 0 0 266.772 2.265 50 0 CEAARN C[C@@H](NC(=O)CCc1ccnn1C)C1=CCCCC1 ZINC000216248421 189702103 /nfs/dbraw/zinc/70/21/03/189702103.db2.gz UHBGEGMQKBZNOV-GFCCVEGCSA-N 0 0 261.369 2.358 50 0 CEAARN COc1ccnc(C(=O)N(C)[C@H](C)c2cccnc2)c1 ZINC000116007051 365032650 /nfs/dbraw/zinc/03/26/50/365032650.db2.gz SGQUHOVFTRMAPZ-LLVKDONJSA-N 0 0 271.320 2.318 50 0 CEAARN CN(CCn1cccn1)Cc1cncn1Cc1ccccc1 ZINC000243902105 370789708 /nfs/dbraw/zinc/78/97/08/370789708.db2.gz BGBZVOGMAGZDTE-UHFFFAOYSA-N 0 0 295.390 2.260 50 0 CEAARN Cc1nnsc1CN(C)Cc1[nH]nc2c1CCCCC2 ZINC000243893523 370790094 /nfs/dbraw/zinc/79/00/94/370790094.db2.gz AROFKUSBRMIZHI-UHFFFAOYSA-N 0 0 291.424 2.471 50 0 CEAARN CC(=O)c1cc(CN2CCC(n3cnnc3)CC2)cs1 ZINC000244619953 370792815 /nfs/dbraw/zinc/79/28/15/370792815.db2.gz FJCDVAJZXGULSY-UHFFFAOYSA-N 0 0 290.392 2.379 50 0 CEAARN O=C(CC1Cc2ccccc2C1)N[C@H]1CC[C@H](O)CC1 ZINC000244673556 370794880 /nfs/dbraw/zinc/79/48/80/370794880.db2.gz HRLUFDONVQWMLD-WKILWMFISA-N 0 0 273.376 2.211 50 0 CEAARN Cc1noc(C)c1CN(C)Cc1noc([C@@H]2CCCO2)n1 ZINC000244678805 370793942 /nfs/dbraw/zinc/79/39/42/370793942.db2.gz IKSLSIOJAGFVCX-LBPRGKRZSA-N 0 0 292.339 2.158 50 0 CEAARN Cc1nsc(N2CCCN(c3ccc(F)cn3)CC2)n1 ZINC000242389502 370786828 /nfs/dbraw/zinc/78/68/28/370786828.db2.gz ZXSFUWAVUFTYNF-UHFFFAOYSA-N 0 0 293.371 2.097 50 0 CEAARN Cn1cccc1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000219658840 189721139 /nfs/dbraw/zinc/72/11/39/189721139.db2.gz MQCSQBKSOPKLRC-OAHLLOKOSA-N 0 0 299.374 2.242 50 0 CEAARN C[C@@H](C(=O)Nc1nncs1)N1CCC2(CCCC2)C1 ZINC000244742025 370798121 /nfs/dbraw/zinc/79/81/21/370798121.db2.gz OARXDWSQLHZBER-JTQLQIEISA-N 0 0 280.397 2.131 50 0 CEAARN CC[C@H](NC(=O)c1ccc(C)cc1F)[C@H]1C[C@H](O)C1 ZINC000244742140 370798206 /nfs/dbraw/zinc/79/82/06/370798206.db2.gz OCKZTXJCFZVBPB-MJVIPROJSA-N 0 0 265.328 2.413 50 0 CEAARN CC(=O)c1cc(CN(C)CC2(C)COC2)cs1 ZINC000244852500 370801245 /nfs/dbraw/zinc/80/12/45/370801245.db2.gz UTNIRJAMRSMSEG-UHFFFAOYSA-N 0 0 253.367 2.419 50 0 CEAARN CC[C@@H](NC(=O)c1cccn1C(C)C)[C@H]1C[C@H](O)C1 ZINC000244882531 370802583 /nfs/dbraw/zinc/80/25/83/370802583.db2.gz XTPCOPPFADMEEA-JHJVBQTASA-N 0 0 264.369 2.348 50 0 CEAARN CN1CCN(Cc2nc(C3CC3)no2)C[C@H]1c1ccccc1 ZINC000244874860 370802844 /nfs/dbraw/zinc/80/28/44/370802844.db2.gz XIKGTBXMZACJQX-HNNXBMFYSA-N 0 0 298.390 2.436 50 0 CEAARN CC[C@H](NC(=O)c1cccc(C(C)=O)c1)[C@H]1C[C@H](O)C1 ZINC000244701156 370796455 /nfs/dbraw/zinc/79/64/55/370796455.db2.gz KBFHBOMEUKTIEU-KKUMJFAQSA-N 0 0 275.348 2.169 50 0 CEAARN O=C(N[C@H]1CC[C@H](n2cnnc2)CC1)[C@H]1CC12CCCC2 ZINC000244734617 370797064 /nfs/dbraw/zinc/79/70/64/370797064.db2.gz NIYWQNUQGCVNDK-MGPQQGTHSA-N 0 0 288.395 2.458 50 0 CEAARN Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)nc(C)n1 ZINC000245305014 370808033 /nfs/dbraw/zinc/80/80/33/370808033.db2.gz HNWKHQGCXKHGQR-IACUBPJLSA-N 0 0 261.369 2.343 50 0 CEAARN CCN(C)c1ccccc1NC(=O)N[C@H]1CCC[C@H]1O ZINC000245316662 370808082 /nfs/dbraw/zinc/80/80/82/370808082.db2.gz KCTPGNIKSRYKOM-GXTWGEPZSA-N 0 0 277.368 2.178 50 0 CEAARN CC[C@H](C)N(C(=O)Cc1ccn(C)n1)[C@@H](C)CC ZINC000119612146 365298500 /nfs/dbraw/zinc/29/85/00/365298500.db2.gz DKWRBRCQKQAETQ-RYUDHWBXSA-N 0 0 251.374 2.388 50 0 CEAARN Cc1cc(=O)c(C(=O)N2CCOc3ccccc3[C@H]2C)c[nH]1 ZINC000585113990 367178927 /nfs/dbraw/zinc/17/89/27/367178927.db2.gz XQEIXQPVODSOHP-GFCCVEGCSA-N 0 0 298.342 2.279 50 0 CEAARN Cc1cc(C(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)ns1 ZINC000585130506 367181799 /nfs/dbraw/zinc/18/17/99/367181799.db2.gz SDPQGAMKZLOCIS-GFCCVEGCSA-N 0 0 281.425 2.254 50 0 CEAARN Cn1cccc1C(=O)N1CCC[C@@H](c2cccnc2)C1 ZINC000585130055 367181849 /nfs/dbraw/zinc/18/18/49/367181849.db2.gz GNYXTMFXUCNOHJ-CQSZACIVSA-N 0 0 269.348 2.440 50 0 CEAARN O=C([C@H]1CCCO1)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000585124519 367181854 /nfs/dbraw/zinc/18/18/54/367181854.db2.gz GOLFONHSODPMBE-LSDHHAIUSA-N 0 0 273.332 2.098 50 0 CEAARN C[C@@]1(c2ccccc2)CN(C(=O)C2CSC2)CCO1 ZINC000585132433 367183195 /nfs/dbraw/zinc/18/31/95/367183195.db2.gz WQLHLUFIYYHSGD-HNNXBMFYSA-N 0 0 277.389 2.124 50 0 CEAARN CC[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccccc1F ZINC000164271367 367281076 /nfs/dbraw/zinc/28/10/76/367281076.db2.gz HUSTTXVJDGUMGE-RISCZKNCSA-N 0 0 285.384 2.444 50 0 CEAARN CN(C)C(=O)c1ccnc(NC(=O)C[C@H]2C=CCC2)c1 ZINC000163363910 367234776 /nfs/dbraw/zinc/23/47/76/367234776.db2.gz BIOKSYQZQCRKBR-NSHDSACASA-N 0 0 273.336 2.078 50 0 CEAARN O=C(CCC(=O)N1CCCCO1)c1cccs1 ZINC000170603955 367385763 /nfs/dbraw/zinc/38/57/63/367385763.db2.gz DVTLDYPGNNBWFE-UHFFFAOYSA-N 0 0 253.323 2.265 50 0 CEAARN O=C(C[C@H]1OCCc2ccccc21)N1CCCCO1 ZINC000170603966 367385815 /nfs/dbraw/zinc/38/58/15/367385815.db2.gz ATXZOLVMZFKGKN-CQSZACIVSA-N 0 0 261.321 2.245 50 0 CEAARN COCc1ccccc1C(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC000170613643 367386979 /nfs/dbraw/zinc/38/69/79/367386979.db2.gz ZMSAFQARDJSWRT-CQSZACIVSA-N 0 0 297.354 2.436 50 0 CEAARN COc1ccc(CNC(=O)c2nc(C)sc2C)cn1 ZINC000170686625 367397760 /nfs/dbraw/zinc/39/77/60/367397760.db2.gz RTSNGMOKKQDAQY-UHFFFAOYSA-N 0 0 277.349 2.094 50 0 CEAARN CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)O)cc1 ZINC000170068839 367375712 /nfs/dbraw/zinc/37/57/12/367375712.db2.gz NPGNRGROVTXVCB-SWLSCSKDSA-N 0 0 275.348 2.265 50 0 CEAARN Cc1ccc(-c2nc(C(=O)N3C[C@H](O)C[C@@H]3C)cs2)o1 ZINC000170089323 367376520 /nfs/dbraw/zinc/37/65/20/367376520.db2.gz PPDJOVIHHMNPPB-WCBMZHEXSA-N 0 0 292.360 2.307 50 0 CEAARN CC(C)C[N@@H+]1CCO[C@H](CNc2ccnc(C(C)C)n2)C1 ZINC000171811829 367619052 /nfs/dbraw/zinc/61/90/52/367619052.db2.gz WUBPQQNHPKVUPC-CQSZACIVSA-N 0 0 292.427 2.369 50 0 CEAARN COCCOc1cccc(C(=O)Nc2cn(C)nc2C)c1 ZINC000172771457 367815195 /nfs/dbraw/zinc/81/51/95/367815195.db2.gz OGDIHXOREZIVBH-UHFFFAOYSA-N 0 0 289.335 2.006 50 0 CEAARN CC[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C)cc2C)C1 ZINC000632666066 367872163 /nfs/dbraw/zinc/87/21/63/367872163.db2.gz KXQRKJBIJPFJGX-OAHLLOKOSA-N 0 0 297.420 2.229 50 0 CEAARN O=C([C@H]1CCCO1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000053357550 296111749 /nfs/dbraw/zinc/11/17/49/296111749.db2.gz DTIOWUPWGNIJBP-ZIAGYGMSSA-N 0 0 285.347 2.405 50 0 CEAARN COC(=O)c1cccc(-c2noc(-c3cc(C)[nH]n3)n2)c1 ZINC000174867470 368073693 /nfs/dbraw/zinc/07/36/93/368073693.db2.gz BANBBUSPVFSFKI-UHFFFAOYSA-N 0 0 284.275 2.222 50 0 CEAARN CC[C@@H](OC1CCCCC1)c1nc(CC(=O)NC)no1 ZINC000345442481 368278269 /nfs/dbraw/zinc/27/82/69/368278269.db2.gz BTGWSNXCBVBKQW-LLVKDONJSA-N 0 0 281.356 2.159 50 0 CEAARN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000246053794 370903873 /nfs/dbraw/zinc/90/38/73/370903873.db2.gz WRFODANONXVRGY-YUELXQCFSA-N 0 0 287.359 2.377 50 0 CEAARN CC(C)(NC(=O)Cc1ccoc1)C(=O)NCC1CCCC1 ZINC000185240016 368774922 /nfs/dbraw/zinc/77/49/22/368774922.db2.gz UMRKTAJORIUBAO-UHFFFAOYSA-N 0 0 292.379 2.023 50 0 CEAARN NC(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000186997245 369082484 /nfs/dbraw/zinc/08/24/84/369082484.db2.gz BSABXXSFTWUBPS-UHFFFAOYSA-N 0 0 253.208 2.327 50 0 CEAARN O=C(Cc1ccsc1)NCc1cnn2c1CCCC2 ZINC000225611503 189759384 /nfs/dbraw/zinc/75/93/84/189759384.db2.gz QYFZDVJSIITTNR-UHFFFAOYSA-N 0 0 275.377 2.140 50 0 CEAARN C[C@@H]1CN(S(=O)(=O)/C=C\c2ccccc2)C[C@@H](C)O1 ZINC000229454158 189798955 /nfs/dbraw/zinc/79/89/55/189798955.db2.gz KFXWTRWDEPNLHK-WACGGTQYSA-N 0 0 281.377 2.096 50 0 CEAARN Cc1noc(C)c1C[C@@H](C)NC(=O)Cc1cncs1 ZINC000188947286 369432994 /nfs/dbraw/zinc/43/29/94/369432994.db2.gz CJSFGIGKSPKBOM-MRVPVSSYSA-N 0 0 279.365 2.038 50 0 CEAARN Cc1occc1[S@](=O)CCNC(=O)C1CCCC1 ZINC000189643083 369552461 /nfs/dbraw/zinc/55/24/61/369552461.db2.gz FOIGZLQJSCQRCL-GOSISDBHSA-N 0 0 269.366 2.002 50 0 CEAARN CO[C@H](C)CNC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000190637898 369641108 /nfs/dbraw/zinc/64/11/08/369641108.db2.gz WCSBVKXCPVUFJH-NXEZZACHSA-N 0 0 286.322 2.402 50 0 CEAARN CC[C@@H](C(=O)[O-])[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000191427441 369711297 /nfs/dbraw/zinc/71/12/97/369711297.db2.gz LKJBPFARZLYIKE-HNNXBMFYSA-N 0 0 276.380 2.058 50 0 CEAARN Cc1ccc(CC[S@](=O)C2CCOCC2)cc1 ZINC000191199319 369690000 /nfs/dbraw/zinc/69/00/00/369690000.db2.gz HRLARXJSPJPNOG-KRWDZBQOSA-N 0 0 252.379 2.465 50 0 CEAARN CCO[C@H]1C[C@@](O)(CNC(=O)c2cscc2C)C1(C)C ZINC000191747572 369739148 /nfs/dbraw/zinc/73/91/48/369739148.db2.gz UFPVOTXHTQKMIN-SWLSCSKDSA-N 0 0 297.420 2.352 50 0 CEAARN C[C@H](O)[C@@](C)(CNC(=O)c1ccccn1)Cc1ccccc1 ZINC000192039546 369766450 /nfs/dbraw/zinc/76/64/50/369766450.db2.gz ZEVFEBGGNYZYAV-KBXCAEBGSA-N 0 0 298.386 2.441 50 0 CEAARN C[C@H]1CCN(Cc2cccc3[nH]ccc32)CCS1(=O)=O ZINC000192049576 369767806 /nfs/dbraw/zinc/76/78/06/369767806.db2.gz HOQZVEQCCWMURW-LBPRGKRZSA-N 0 0 292.404 2.177 50 0 CEAARN CCS(=O)(=O)[N-]c1n[nH]c2ccc(C(F)(F)F)cc21 ZINC000191561672 369723221 /nfs/dbraw/zinc/72/32/21/369723221.db2.gz QBIMZKJGTQCBDZ-UHFFFAOYSA-N 0 0 293.270 2.343 50 0 CEAARN CCn1cc(OCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cn1 ZINC000193558966 369954944 /nfs/dbraw/zinc/95/49/44/369954944.db2.gz DIKFMBNOKOMWOR-HIFRSBDPSA-N 0 0 291.395 2.463 50 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CC(C)(C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000001019905 278368021 /nfs/dbraw/zinc/36/80/21/278368021.db2.gz KJYHISXVZJZZAA-UONOGXRCSA-N 0 0 253.342 2.023 50 0 CEAARN CC1(C)Cc2c(sc3ncn4cnnc4c23)CO1 ZINC000000209202 278394911 /nfs/dbraw/zinc/39/49/11/278394911.db2.gz LWIYBRBLNHQLQK-UHFFFAOYSA-N 0 0 260.322 2.190 50 0 CEAARN C[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000002726462 278470652 /nfs/dbraw/zinc/47/06/52/278470652.db2.gz AZBJKPCWRPJZES-BXUZGUMPSA-N 0 0 299.374 2.242 50 0 CEAARN CC1=CS(=O)(=O)C[C@H]1Sc1nc2ccccc2[nH]1 ZINC000005979445 278504078 /nfs/dbraw/zinc/50/40/78/278504078.db2.gz YDOBTXFMQMFKGH-LLVKDONJSA-N 0 0 280.374 2.356 50 0 CEAARN C[C@H]1Sc2ccc(C(=O)NC3CC3)cc2NC1=O ZINC000009503870 278532386 /nfs/dbraw/zinc/53/23/86/278532386.db2.gz PIADAUNCQMKHPF-SSDOTTSWSA-N 0 0 262.334 2.012 50 0 CEAARN CC(C)(C)c1ccc([C@@H]2NC(=O)NC3=C2C(=O)OC3)cc1 ZINC000040478833 278561500 /nfs/dbraw/zinc/56/15/00/278561500.db2.gz WREWRCCHRZYNQK-ZDUSSCGKSA-N 0 0 286.331 2.149 50 0 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Cc1nn(C)cc1C1N=NC(=S)N1c1ccc(F)cc1 ZINC000006533727 279211190 /nfs/dbraw/zinc/21/11/90/279211190.db2.gz JJWCSYJBFAKODE-UHFFFAOYSA-N 0 0 289.339 2.404 50 0 CEAARN C[C@H](C(=O)NC(C)(C)C)N1CCc2sccc2C1 ZINC000010106943 279217529 /nfs/dbraw/zinc/21/75/29/279217529.db2.gz SBRHSNFGBKKINE-SNVBAGLBSA-N 0 0 266.410 2.409 50 0 CEAARN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2csnn2)C1 ZINC000095401932 288113361 /nfs/dbraw/zinc/11/33/61/288113361.db2.gz OYZAEEIKOSWYOT-SNVBAGLBSA-N 0 0 288.376 2.271 50 0 CEAARN C[C@H](O)[C@H]1CCN(C(=O)NC2CCC(C)(C)CC2)C1 ZINC000096010955 279713892 /nfs/dbraw/zinc/71/38/92/279713892.db2.gz KOGLJIHHFIPFKH-RYUDHWBXSA-N 0 0 268.401 2.368 50 0 CEAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(=O)oc1 ZINC000004295778 279817622 /nfs/dbraw/zinc/81/76/22/279817622.db2.gz ITJCIDMZMHAPNO-UHFFFAOYSA-N 0 0 273.332 2.338 50 0 CEAARN CC[C@H]1CCC(=O)[C@@H]([C@]2(O)c3ccccc3NC2=O)C1 ZINC000004379910 288180003 /nfs/dbraw/zinc/18/00/03/288180003.db2.gz MGAMXLFMPHVLTP-KNHMANMVSA-N 0 0 273.332 2.222 50 0 CEAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)C(F)(F)F ZINC000064541970 280024157 /nfs/dbraw/zinc/02/41/57/280024157.db2.gz BNCNBEKSZDYWHF-UHFFFAOYSA-N 0 0 258.199 2.072 50 0 CEAARN CC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1C(C)C ZINC000035837785 280233183 /nfs/dbraw/zinc/23/31/83/280233183.db2.gz HZKCDOWKVNPXCW-MRVPVSSYSA-N 0 0 254.721 2.076 50 0 CEAARN O=C1C[C@H](c2ccncc2)c2cc3c(cc2N1)OCO3 ZINC000001069634 280274043 /nfs/dbraw/zinc/27/40/43/280274043.db2.gz AACVCICCSUEVIJ-SNVBAGLBSA-N 0 0 268.272 2.284 50 0 CEAARN O=C1NC2(CCC(=O)CC2)NN1c1ccc(Cl)cc1 ZINC000001391989 280282331 /nfs/dbraw/zinc/28/23/31/280282331.db2.gz ATSYTQUIKAVQCL-UHFFFAOYSA-N 0 0 279.727 2.214 50 0 CEAARN O=C1NCCNc2c3ccc(C(F)(F)F)cc3ncc21 ZINC000053994726 280290505 /nfs/dbraw/zinc/29/05/05/280290505.db2.gz UGFUWXFJHKPVEK-UHFFFAOYSA-N 0 0 281.237 2.409 50 0 CEAARN O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)N1Cc1ccccc1)C31CC1 ZINC000001091031 280321257 /nfs/dbraw/zinc/32/12/57/280321257.db2.gz ACNDTIYPFVTHHP-NMWPEEMBSA-N 0 0 279.339 2.384 50 0 CEAARN O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1 ZINC000000212412 280332746 /nfs/dbraw/zinc/33/27/46/280332746.db2.gz OIMQYIQVDKKPOX-UHFFFAOYSA-N 0 0 256.236 2.017 50 0 CEAARN O=c1[nH]cncc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000021730477 280388054 /nfs/dbraw/zinc/38/80/54/280388054.db2.gz ULBDGJJGAICHHS-UHFFFAOYSA-N 0 0 274.667 2.140 50 0 CEAARN O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1ccc(Cl)cc1 ZINC000004023856 280393443 /nfs/dbraw/zinc/39/34/43/280393443.db2.gz DFLZWXWUHHFBPR-UHFFFAOYSA-N 0 0 290.628 2.198 50 0 CEAARN Cc1cc(NC(=O)Nc2cn(C)c(=O)c3ccccc23)no1 ZINC000006931716 280611933 /nfs/dbraw/zinc/61/19/33/280611933.db2.gz PXHYXJFPBOKKGU-UHFFFAOYSA-N 0 0 298.302 2.479 50 0 CEAARN Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=O)c(=O)n2c1 ZINC000000574446 281157192 /nfs/dbraw/zinc/15/71/92/281157192.db2.gz SDJHSJITKJARKS-CHWSQXEVSA-N 0 0 299.374 2.298 50 0 CEAARN Cc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)n1 ZINC000004095183 281189343 /nfs/dbraw/zinc/18/93/43/281189343.db2.gz FYARSVZIWINLBN-ZROIWOOFSA-N 0 0 293.351 2.160 50 0 CEAARN Cc1cccc2cc(C=O)c(N3CCOCC3)nc12 ZINC000000335940 281315362 /nfs/dbraw/zinc/31/53/62/281315362.db2.gz HHCANZKGWPOQQS-UHFFFAOYSA-N 0 0 256.305 2.192 50 0 CEAARN Cc1ccccc1C1CCN([C@H]2CCOC2=O)CC1 ZINC000069809682 281340352 /nfs/dbraw/zinc/34/03/52/281340352.db2.gz VHEYKHRDVTXKOS-HNNXBMFYSA-N 0 0 259.349 2.490 50 0 CEAARN CCc1c(C)nc2c(Br)cnn2c1OC ZINC000095704749 281368453 /nfs/dbraw/zinc/36/84/53/281368453.db2.gz LCFNCWZQSPCKFZ-UHFFFAOYSA-N 0 0 270.130 2.371 50 0 CEAARN C[C@@]12CC(=O)[C@@](C)(C1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000004126674 289218622 /nfs/dbraw/zinc/21/86/22/289218622.db2.gz IXFDWPCOIYLCCA-BQGCOEIASA-N 0 0 283.327 2.181 50 0 CEAARN C[C@H](C(=O)Nc1cccnc1Cl)N1CCCC1 ZINC000014914549 289383741 /nfs/dbraw/zinc/38/37/41/289383741.db2.gz XIAXABJFHVPGKJ-SECBINFHSA-N 0 0 253.733 2.158 50 0 CEAARN CN1CCN(C(=O)c2csc3c2CCCC3)CC1 ZINC000016605298 290033750 /nfs/dbraw/zinc/03/37/50/290033750.db2.gz ALJZLYREHQVXNB-UHFFFAOYSA-N 0 0 264.394 2.015 50 0 CEAARN C[N@@H+]1CCN(c2ncccc2C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000020260839 290060009 /nfs/dbraw/zinc/06/00/09/290060009.db2.gz HCVDLMUVEGPGGH-OAHLLOKOSA-N 0 0 297.358 2.273 50 0 CEAARN CN1c2ccccc2[C@@]2(CCN(C(=O)C3CCCC3)C2)C1=O ZINC000065249165 290321583 /nfs/dbraw/zinc/32/15/83/290321583.db2.gz ZSQDLAHDRWMHNO-SFHVURJKSA-N 0 0 298.386 2.323 50 0 CEAARN Cc1nc(N(C)C)ncc1C(=O)N1CC[C@@H]1c1ccccc1 ZINC000095373298 293289763 /nfs/dbraw/zinc/28/97/63/293289763.db2.gz FJSOIJUIMWKSAW-OAHLLOKOSA-N 0 0 296.374 2.438 50 0 CEAARN Cc1nc(N(C)C)ncc1C(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 ZINC000077458243 293289823 /nfs/dbraw/zinc/28/98/23/293289823.db2.gz JZPOHYVMDODVSS-OBJOEFQTSA-N 0 0 288.395 2.160 50 0 CEAARN Cc1nn(C(=O)[C@H]2CCCO2)c(C)c1Br ZINC000002760250 293690193 /nfs/dbraw/zinc/69/01/93/293690193.db2.gz CWFRHPVQGOROBW-MRVPVSSYSA-N 0 0 273.130 2.082 50 0 CEAARN Cc1nn(C)cc1C(=O)N1C[C@@H](C)Oc2cc(C)ccc21 ZINC000098018360 293778917 /nfs/dbraw/zinc/77/89/17/293778917.db2.gz YJAZWNDOZMAXET-LLVKDONJSA-N 0 0 285.347 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Nc1nc2c(s1)[C@@H](c1ccc(F)cc1)CC(=O)N2 ZINC000012429125 295369874 /nfs/dbraw/zinc/36/98/74/295369874.db2.gz OFXLNTLGSXLVSA-MRVPVSSYSA-N 0 0 263.297 2.339 50 0 CEAARN C[C@H]1CN(C(=O)C2CCC2)c2ccccc2N(C)C1=O ZINC000095401254 300118857 /nfs/dbraw/zinc/11/88/57/300118857.db2.gz UZKKXPVTFYQLND-NSHDSACASA-N 0 0 272.348 2.432 50 0 CEAARN Cc1cc(C)c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c(=O)[nH]1 ZINC000089568517 301170075 /nfs/dbraw/zinc/17/00/75/301170075.db2.gz HEZOAKGMWNDPHY-CHWSQXEVSA-N 0 0 274.364 2.254 50 0 CEAARN Cc1ccc([C@H]2c3c(C)[nH]nc3N=C3COC(=O)C32)s1 ZINC000020086492 301847187 /nfs/dbraw/zinc/84/71/87/301847187.db2.gz XRXJMEBEJRHDBC-LBPRGKRZSA-N 0 0 287.344 2.456 50 0 CEAARN Cc1ccccc1[C@H]1C(=O)NCCN1C[C@H]1CCC=CO1 ZINC000253394277 302214558 /nfs/dbraw/zinc/21/45/58/302214558.db2.gz CLBQNPYRAQBWQW-ZBFHGGJFSA-N 0 0 286.375 2.161 50 0 CEAARN Cc1ccnn1[C@@H](C)C(=O)N[C@H]1CCCc2nc(C)ncc21 ZINC000072242539 302296521 /nfs/dbraw/zinc/29/65/21/302296521.db2.gz QFZVQAFHUAMAEO-NHYWBVRUSA-N 0 0 299.378 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CC(C)(C)OC(=O)CCSCC(=O)Nc1ccncc1 ZINC000225641658 370308695 /nfs/dbraw/zinc/30/86/95/370308695.db2.gz YMBZXMFDJUBSBZ-UHFFFAOYSA-N 0 0 296.392 2.485 50 0 CEAARN COC1(CNC(=O)c2ccoc2)Cc2ccccc2C1 ZINC000225720388 370314013 /nfs/dbraw/zinc/31/40/13/370314013.db2.gz NFPPCGOAERVVAX-UHFFFAOYSA-N 0 0 271.316 2.193 50 0 CEAARN COC1(CNC(=O)NC(C)(C)C)Cc2ccccc2C1 ZINC000225722584 370315341 /nfs/dbraw/zinc/31/53/41/370315341.db2.gz RVFPZYCMGFKPMX-UHFFFAOYSA-N 0 0 276.380 2.268 50 0 CEAARN O=C(Nc1ccon1)c1cccnc1O[C@@H]1CCSC1 ZINC000225727346 370315413 /nfs/dbraw/zinc/31/54/13/370315413.db2.gz ACERUQIESGOLNN-SECBINFHSA-N 0 0 291.332 2.206 50 0 CEAARN COc1ccc2ccc(OCCNC(C)=O)cc2c1 ZINC000226795222 370351315 /nfs/dbraw/zinc/35/13/15/370351315.db2.gz OWJHTMJYSPKHFU-UHFFFAOYSA-N 0 0 259.305 2.363 50 0 CEAARN COc1ccc(-n2cnc(C(=O)NCc3ccco3)c2)cc1 ZINC000226752197 370351648 /nfs/dbraw/zinc/35/16/48/370351648.db2.gz NRZHDJUEYWQIEG-UHFFFAOYSA-N 0 0 297.314 2.404 50 0 CEAARN CC(C)NC(=S)NC[C@H]1C[N@H+](C)C[C@@H]1c1cccs1 ZINC000227150431 370361898 /nfs/dbraw/zinc/36/18/98/370361898.db2.gz CTVCDGVQUADBEC-RYUDHWBXSA-N 0 0 297.493 2.266 50 0 CEAARN CC(C)NC(=S)NC[C@@H]1C[N@H+](C)C[C@@H]1c1cccs1 ZINC000227150426 370362559 /nfs/dbraw/zinc/36/25/59/370362559.db2.gz CTVCDGVQUADBEC-NEPJUHHUSA-N 0 0 297.493 2.266 50 0 CEAARN C[C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnn(C)c2)C1 ZINC000229460577 370424867 /nfs/dbraw/zinc/42/48/67/370424867.db2.gz MADBFXXDTZDQOG-DYEKYZERSA-N 0 0 261.369 2.461 50 0 CEAARN C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCC(C)(C)CCO ZINC000229890428 370433243 /nfs/dbraw/zinc/43/32/43/370433243.db2.gz QNTOKWBEDUAJNC-MCIONIFRSA-N 0 0 285.428 2.495 50 0 CEAARN C[C@@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCC(C)(C)CCO ZINC000229890423 370433668 /nfs/dbraw/zinc/43/36/68/370433668.db2.gz QNTOKWBEDUAJNC-MGPQQGTHSA-N 0 0 285.428 2.495 50 0 CEAARN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccoc1 ZINC000247850519 371143691 /nfs/dbraw/zinc/14/36/91/371143691.db2.gz RHFIRVPWJPXXJX-RTXFEEFZSA-N 0 0 277.320 2.226 50 0 CEAARN Cc1ccc([C@@H]2COCCN2Cc2cnns2)o1 ZINC000331610135 204011578 /nfs/dbraw/zinc/01/15/78/204011578.db2.gz MDCYJCXUDIHGDA-NSHDSACASA-N 0 0 265.338 2.013 50 0 CEAARN CCO[C@@H]1C[C@H]1C(=O)N[C@H](CC)c1nccs1 ZINC000331851388 204230884 /nfs/dbraw/zinc/23/08/84/204230884.db2.gz HIJYIRWWAIIWII-OPRDCNLKSA-N 0 0 254.355 2.135 50 0 CEAARN CCN(C(=S)NC(=O)C1CC1)C1CCCCC1 ZINC000003304788 284263155 /nfs/dbraw/zinc/26/31/55/284263155.db2.gz HDEBMXOTQVICTG-UHFFFAOYSA-N 0 0 254.399 2.452 50 0 CEAARN c1coc(-c2noc(CN3CCC[C@H](c4cc[nH]n4)C3)n2)c1 ZINC000252481374 371443291 /nfs/dbraw/zinc/44/32/91/371443291.db2.gz CKCOJXSNZOMGDO-NSHDSACASA-N 0 0 299.334 2.432 50 0 CEAARN CCc1nc(C)sc1CNC(=O)COC(C)C ZINC000252484912 371443819 /nfs/dbraw/zinc/44/38/19/371443819.db2.gz GKJMZFLIIPLSOM-UHFFFAOYSA-N 0 0 256.371 2.055 50 0 CEAARN CC(=O)c1ccn(Cc2nc([C@@H](C)OCC(C)C)no2)n1 ZINC000252491796 371445728 /nfs/dbraw/zinc/44/57/28/371445728.db2.gz LTJYEYPKMUJZSY-LLVKDONJSA-N 0 0 292.339 2.251 50 0 CEAARN Cn1cnc(C(=O)NC(C)(C)COCc2ccccc2)c1 ZINC000252497774 371446332 /nfs/dbraw/zinc/44/63/32/371446332.db2.gz QPKUXMIBFQHDJC-UHFFFAOYSA-N 0 0 287.363 2.145 50 0 CEAARN C[C@@H]1CN(C(=O)NCC[C@@H]2CCC[C@H](C)C2)C[C@H]1CO ZINC000252509259 371450274 /nfs/dbraw/zinc/45/02/74/371450274.db2.gz YIPMSWMBPFFRBR-XGUBFFRZSA-N 0 0 282.428 2.473 50 0 CEAARN Cc1cc(C(=O)NCCc2ccc3c(c2)CCO3)co1 ZINC000252540374 371455253 /nfs/dbraw/zinc/45/52/53/371455253.db2.gz PGCLYOFKTDCMJF-UHFFFAOYSA-N 0 0 271.316 2.495 50 0 CEAARN CC(C)[C@@H]1NC(=O)N([C@@H]2C[C@H]2c2ccc(F)cc2F)C1=O ZINC000252586389 371458173 /nfs/dbraw/zinc/45/81/73/371458173.db2.gz PORCEDIHTPHXPL-UHTWSYAYSA-N 0 0 294.301 2.397 50 0 CEAARN CS[C@@H]1CCC[C@H]1NC(=O)N[C@H](CO)c1ccccc1 ZINC000252679182 371468420 /nfs/dbraw/zinc/46/84/20/371468420.db2.gz JDHCXGCWEDTZQO-MGPQQGTHSA-N 0 0 294.420 2.303 50 0 CEAARN C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1)n1ccnc1 ZINC000253375933 371512098 /nfs/dbraw/zinc/51/20/98/371512098.db2.gz RMAZLOWWNBIXNA-IJEWVQPXSA-N 0 0 299.374 2.433 50 0 CEAARN C[C@@H]1CC[C@]2(CCN(S(=O)(=O)[C@@H]3CCO[C@H]3C)C2)C1 ZINC000253369920 371512161 /nfs/dbraw/zinc/51/21/61/371512161.db2.gz JUNOLSKSXLSAJV-RQJABVFESA-N 0 0 287.425 2.006 50 0 CEAARN O=C(CCn1ccnn1)Nc1ccc(F)cc1-n1cccc1 ZINC000253392835 371513143 /nfs/dbraw/zinc/51/31/43/371513143.db2.gz HXOPQJFBVHEPTR-UHFFFAOYSA-N 0 0 299.309 2.237 50 0 CEAARN O=C(C1CCCCC1)N1C[C@@H](c2ccncc2)[C@H](CO)C1 ZINC000253412476 371515851 /nfs/dbraw/zinc/51/58/51/371515851.db2.gz RCKGZZQULGGTSI-HOTGVXAUSA-N 0 0 288.391 2.196 50 0 CEAARN CC(C)(C(=O)N[C@H]1Cc2ccccc2[C@H]1O)C(F)F ZINC000253419723 371519518 /nfs/dbraw/zinc/51/95/18/371519518.db2.gz BYVKPQPYLFMWEA-WDEREUQCSA-N 0 0 269.291 2.052 50 0 CEAARN COc1cccc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)c1 ZINC000253423772 371519777 /nfs/dbraw/zinc/51/97/77/371519777.db2.gz BSOIYGXWZQGONN-CYBMUJFWSA-N 0 0 291.347 2.111 50 0 CEAARN CCO[C@@H]1C[C@H](Nc2nc(C)cc(C)n2)[C@@]12CCCO2 ZINC000253420538 371520017 /nfs/dbraw/zinc/52/00/17/371520017.db2.gz YBBLPRXKLLKEOG-GUTXKFCHSA-N 0 0 277.368 2.232 50 0 CEAARN CCCOCCOC(=O)c1ncccc1Br ZINC000253425906 371520762 /nfs/dbraw/zinc/52/07/62/371520762.db2.gz WLHOFJJKPCWYEH-UHFFFAOYSA-N 0 0 288.141 2.428 50 0 CEAARN Cc1ccc(CNC(=O)[C@H]2CCCCC(=O)N2C)cc1 ZINC000257177199 371600472 /nfs/dbraw/zinc/60/04/72/371600472.db2.gz DLHKTCOVTATEJU-CQSZACIVSA-N 0 0 274.364 2.012 50 0 CEAARN CCNC(=O)N1CC[C@@H](Cc2ncc(C)n2C(C)C)C1 ZINC000257183869 371605100 /nfs/dbraw/zinc/60/51/00/371605100.db2.gz SNBDCONIAVDFAV-ZDUSSCGKSA-N 0 0 278.400 2.366 50 0 CEAARN CCO[C@@H]1CCOC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000257185439 371605301 /nfs/dbraw/zinc/60/53/01/371605301.db2.gz WVCFJTBCUUHTKQ-CYBMUJFWSA-N 0 0 293.363 2.470 50 0 CEAARN CC(C)NC(=O)N1CCCCCNC(=O)[C@@H]2CCCC[C@@H]21 ZINC000257189720 371606073 /nfs/dbraw/zinc/60/60/73/371606073.db2.gz NZUDFUNZGINMCF-KGLIPLIRSA-N 0 0 295.427 2.265 50 0 CEAARN CCn1ncc(C(=O)N2CCC3(CC[C@H]3OC)CC2)c1C ZINC000257192368 371607994 /nfs/dbraw/zinc/60/79/94/371607994.db2.gz UGCOPQVPKGDFQR-CQSZACIVSA-N 0 0 291.395 2.243 50 0 CEAARN FC(F)(F)c1cnc(C2=NCCCN2)c(Cl)c1 ZINC000261494969 371638030 /nfs/dbraw/zinc/63/80/30/371638030.db2.gz YNCQCHJVAMRYLJ-UHFFFAOYSA-N 0 0 263.650 2.494 50 0 CEAARN Cc1c(Cl)c(C(=O)N2CCCC[C@H]2C)nn1C ZINC000002776912 291544095 /nfs/dbraw/zinc/54/40/95/291544095.db2.gz DRDJHCXUVZIYGE-MRVPVSSYSA-N 0 0 255.749 2.397 50 0 CEAARN Cc1csc(CNC(=O)N[C@@H]2CC23CCOCC3)c1 ZINC000333163539 205083508 /nfs/dbraw/zinc/08/35/08/205083508.db2.gz HULQZJXUKPZFQW-GFCCVEGCSA-N 0 0 280.393 2.425 50 0 CEAARN C[C@H](O)c1ncc(CNc2cccc3c2CNC3=O)s1 ZINC000289873345 197513343 /nfs/dbraw/zinc/51/33/43/197513343.db2.gz RMQQQAKQIUMCHK-QMMMGPOBSA-N 0 0 289.360 2.052 50 0 CEAARN C[S@](=O)Cc1noc([C@@H](c2ccccc2)C2CC2)n1 ZINC000274064629 373799813 /nfs/dbraw/zinc/79/98/13/373799813.db2.gz XYOZVHRITMKZRW-DJJJIMSYSA-N 0 0 276.361 2.490 50 0 CEAARN CO[C@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000276802383 374306017 /nfs/dbraw/zinc/30/60/17/374306017.db2.gz VWEVZUZCYFJSEJ-QMMMGPOBSA-N 0 0 260.131 2.263 50 0 CEAARN COC1(CC(=O)N[C@@H]2CCc3c2cccc3O)CCC1 ZINC000277374837 374495589 /nfs/dbraw/zinc/49/55/89/374495589.db2.gz ZUCMMTLZGKHIFJ-CYBMUJFWSA-N 0 0 275.348 2.455 50 0 CEAARN CCO[C@H](C)C(=O)N1CCC(Cc2cccnc2)CC1 ZINC000374496628 374582580 /nfs/dbraw/zinc/58/25/80/374582580.db2.gz NDWJKNDELYRUPL-CYBMUJFWSA-N 0 0 276.380 2.288 50 0 CEAARN CCn1nc(C)c(CNC(=O)N2CC=C(C)CC2)c1C ZINC000334208656 206193143 /nfs/dbraw/zinc/19/31/43/206193143.db2.gz CMJVJCIUWKPETQ-UHFFFAOYSA-N 0 0 276.384 2.381 50 0 CEAARN O=C(c1cnns1)N1CCC(CC(F)(F)F)CC1 ZINC000334256341 206264683 /nfs/dbraw/zinc/26/46/83/206264683.db2.gz ZRKRMOMVQKFQPW-UHFFFAOYSA-N 0 0 279.287 2.343 50 0 CEAARN O=C(c1cccs1)N1CC[C@H](Oc2ccncc2)C1 ZINC000253402584 189988800 /nfs/dbraw/zinc/98/88/00/189988800.db2.gz OLPWIWGIGDMVKC-LBPRGKRZSA-N 0 0 274.345 2.437 50 0 CEAARN O=C1C[C@H](c2noc(C3CCC3)n2)CN1CC1CCC1 ZINC000390834021 375313913 /nfs/dbraw/zinc/31/39/13/375313913.db2.gz QJYMMBDTFRTQQU-LBPRGKRZSA-N 0 0 275.352 2.453 50 0 CEAARN C[C@@H](Sc1ccccn1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000281697849 375392077 /nfs/dbraw/zinc/39/20/77/375392077.db2.gz LTQVELDYNOPDNH-GFCCVEGCSA-N 0 0 293.436 2.163 50 0 CEAARN Cc1nnc([C@@H]2CCCCN2C(=O)Cc2ccc(C)nc2)[nH]1 ZINC000408469351 375492546 /nfs/dbraw/zinc/49/25/46/375492546.db2.gz FMASKLGNKPJFPU-AWEZNQCLSA-N 0 0 299.378 2.113 50 0 CEAARN CC(C)=CC(=O)NC[C@@H](NC(=O)C=C(C)C)C(F)(F)F ZINC000408517883 375506376 /nfs/dbraw/zinc/50/63/76/375506376.db2.gz ZGHMKBURMAATDR-SNVBAGLBSA-N 0 0 292.301 2.082 50 0 CEAARN CC(C)n1ccc(C(=O)N2CCC[C@H]2c2cn[nH]c2)n1 ZINC000408523768 375508950 /nfs/dbraw/zinc/50/89/50/375508950.db2.gz NBNGCBDZOBRBRU-ZDUSSCGKSA-N 0 0 273.340 2.164 50 0 CEAARN Cn1cc(CCOc2ccc(Cl)c3c2C(=O)OC3)cn1 ZINC000408525007 375511579 /nfs/dbraw/zinc/51/15/79/375511579.db2.gz GXAJROIAAMIDEI-UHFFFAOYSA-N 0 0 292.722 2.365 50 0 CEAARN Cc1cc(C(=O)N[C@H](c2ncc[nH]2)C(C)C)ns1 ZINC000283048532 375645110 /nfs/dbraw/zinc/64/51/10/375645110.db2.gz PYXPYLYXJFXPHH-JTQLQIEISA-N 0 0 264.354 2.302 50 0 CEAARN CCC[C@@](C)(O)c1nc(-c2ccnc(OC)c2)no1 ZINC000328595081 376854143 /nfs/dbraw/zinc/85/41/43/376854143.db2.gz KDPCIOIFWSBKRB-CYBMUJFWSA-N 0 0 263.297 2.148 50 0 CEAARN Cc1ccc(CC(=O)N(C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000328592308 376854445 /nfs/dbraw/zinc/85/44/45/376854445.db2.gz ZRNFCVBKGFXANM-CYBMUJFWSA-N 0 0 275.348 2.090 50 0 CEAARN NC(=O)N[C@H](CC(=O)N1CCCCCO1)c1cccs1 ZINC000329926797 377033047 /nfs/dbraw/zinc/03/30/47/377033047.db2.gz KZGFDGQCUWMSBG-SNVBAGLBSA-N 0 0 297.380 2.206 50 0 CEAARN O=C(c1cccc2cn[nH]c21)N1CC[C@@]2(C1)CCCOC2 ZINC000357095236 296257394 /nfs/dbraw/zinc/25/73/94/296257394.db2.gz RTTWWRQCZOZMPW-MRXNPFEDSA-N 0 0 285.347 2.206 50 0 CEAARN CC[C@H](C(=O)OC(C)(C)C)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000331146497 377302568 /nfs/dbraw/zinc/30/25/68/377302568.db2.gz GRQZCTKFCZZVLT-VXGBXAGGSA-N 0 0 294.399 2.104 50 0 CEAARN FC1(F)CCN(c2cc([C@@H]3CCOC3)ncn2)CC1 ZINC000426575094 377420654 /nfs/dbraw/zinc/42/06/54/377420654.db2.gz WXSZYVDJZZQSCI-SNVBAGLBSA-N 0 0 269.295 2.216 50 0 CEAARN CCC[C@H](C)NC(=O)N(C)CCCc1nccn1C ZINC000426667682 377427775 /nfs/dbraw/zinc/42/77/75/377427775.db2.gz XMTQJFRMAYJDKX-LBPRGKRZSA-N 0 0 266.389 2.183 50 0 CEAARN O=C(NCCc1ccccc1)N1CCC[C@H]1Cn1cccn1 ZINC000426647418 377427871 /nfs/dbraw/zinc/42/78/71/377427871.db2.gz XOJKQYHEAKEDIX-INIZCTEOSA-N 0 0 298.390 2.300 50 0 CEAARN Cc1ccn2c(c1)nc(C(=O)NC[C@@H]1CCCCO1)c2F ZINC000426657059 377427886 /nfs/dbraw/zinc/42/78/86/377427886.db2.gz WQSSFWFZXPDZFJ-NSHDSACASA-N 0 0 291.326 2.081 50 0 CEAARN CC[C@H](NC(=O)c1ccn(C(C)C)n1)c1cnn(C)c1 ZINC000426370424 377401019 /nfs/dbraw/zinc/40/10/19/377401019.db2.gz IBVONDHOACWJIA-LBPRGKRZSA-N 0 0 275.356 2.079 50 0 CEAARN Cc1cc(-c2ccc(-n3ccnc3)nn2)ccc1O ZINC000426438707 377407267 /nfs/dbraw/zinc/40/72/67/377407267.db2.gz ALPZJAYWVNKHEM-UHFFFAOYSA-N 0 0 252.277 2.343 50 0 CEAARN O=C(N[C@@H]1COc2ccccc21)c1ncoc1C1CC1 ZINC000293051225 377408043 /nfs/dbraw/zinc/40/80/43/377408043.db2.gz RODBJKYMKHFKJC-LLVKDONJSA-N 0 0 270.288 2.416 50 0 CEAARN COc1ccc(-c2ccc(C(=O)N3CC(O)C3)cc2)c(C)c1 ZINC000426478842 377409879 /nfs/dbraw/zinc/40/98/79/377409879.db2.gz DUPCECHDEHRVSX-UHFFFAOYSA-N 0 0 297.354 2.487 50 0 CEAARN CCOCCNC(=O)c1ccc(-c2c(C)n[nH]c2C)cc1 ZINC000426510550 377411697 /nfs/dbraw/zinc/41/16/97/377411697.db2.gz AWDQXJYDXCAJQV-UHFFFAOYSA-N 0 0 287.363 2.460 50 0 CEAARN CC(C)c1nccc(C(=O)N2CC(c3ccccn3)C2)n1 ZINC000426504613 377412168 /nfs/dbraw/zinc/41/21/68/377412168.db2.gz PSSGMZKCVQGRPB-UHFFFAOYSA-N 0 0 282.347 2.235 50 0 CEAARN COc1ncnc(C)c1-c1ccc(N2CCOCC2)cc1 ZINC000426511603 377412516 /nfs/dbraw/zinc/41/25/16/377412516.db2.gz HSKSOBLNFFCGPV-UHFFFAOYSA-N 0 0 285.347 2.297 50 0 CEAARN O=C(Cc1nc2ccccc2[nH]1)N1CC(c2ccncc2)C1 ZINC000426503942 377413131 /nfs/dbraw/zinc/41/31/31/377413131.db2.gz FDDXXZUCSCPKAZ-UHFFFAOYSA-N 0 0 292.342 2.126 50 0 CEAARN O[C@@H](CN1CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC000426511994 377414145 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295.404 2.069 50 0 CEAARN COc1ccccc1C[C@@H](C)N(C)Cc1nnc(C)[nH]1 ZINC000252482272 278050433 /nfs/dbraw/zinc/05/04/33/278050433.db2.gz DBYOQORCFQFWBV-LLVKDONJSA-N 0 0 274.368 2.185 50 0 CEAARN CC(=O)[C@@H]1[C@H](c2ccco2)c2c(C)onc2C[C@]1(C)O ZINC000005025507 278233015 /nfs/dbraw/zinc/23/30/15/278233015.db2.gz MTRYVHWTJQTMGH-KFWWJZLASA-N 0 0 275.304 2.220 50 0 CEAARN CC1(C)COCCN1C(=O)c1coc(Br)c1 ZINC000071830846 278353013 /nfs/dbraw/zinc/35/30/13/278353013.db2.gz BVYQLWYFMDFQGM-UHFFFAOYSA-N 0 0 288.141 2.293 50 0 CEAARN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000091351786 278391297 /nfs/dbraw/zinc/39/12/97/278391297.db2.gz VLUSRSVEVZDURI-HTQZYQBOSA-N 0 0 269.263 2.309 50 0 CEAARN CC1(C)Cc2c(sc3nc4n(c(=N)c23)CCC4)CO1 ZINC000100695843 278394939 /nfs/dbraw/zinc/39/49/39/278394939.db2.gz LBOAJIJRQPHVFH-UHFFFAOYSA-N 0 0 275.377 2.375 50 0 CEAARN CC(C)(C)OC(=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000072314525 278409052 /nfs/dbraw/zinc/40/90/52/278409052.db2.gz SDHBRGFJKCOGRS-SNVBAGLBSA-N 0 0 269.263 2.168 50 0 CEAARN CC1=N/C(=C/c2cc(Br)ccc2O)C(=O)O1 ZINC000000070591 278509551 /nfs/dbraw/zinc/50/95/51/278509551.db2.gz QNLLOXJSOMFZQA-WEVVVXLNSA-N 0 0 282.093 2.471 50 0 CEAARN CC1=NN(c2nc(C)cc(C)n2)[C@]2(O)C[C@@H]3[C@H]([C@@H]12)C3(C)C ZINC000245311960 278511273 /nfs/dbraw/zinc/51/12/73/278511273.db2.gz QYHISDZBDMXIFN-JXFSHQFZSA-N 0 0 286.379 2.270 50 0 CEAARN Cc1c(Br)c(=O)n(-c2ccccc2)n1C ZINC000000393570 278582351 /nfs/dbraw/zinc/58/23/51/278582351.db2.gz QYWWSDVPNCBSIA-UHFFFAOYSA-N 0 0 267.126 2.247 50 0 CEAARN CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(C)o2)N1 ZINC000000304559 278649283 /nfs/dbraw/zinc/64/92/83/278649283.db2.gz JPKOKQAIFPJJRK-LLVKDONJSA-N 0 0 290.241 2.451 50 0 CEAARN CCCn1cc(C(=O)N2CCc3ccccc3[C@H]2CO)cn1 ZINC000097097695 278993364 /nfs/dbraw/zinc/99/33/64/278993364.db2.gz BYKYVMCIPVWDRF-MRXNPFEDSA-N 0 0 299.374 2.025 50 0 CEAARN C[C@@H]1Cc2ccccc2N1C(=O)c1cc2ncccn2n1 ZINC000002787688 279019388 /nfs/dbraw/zinc/01/93/88/279019388.db2.gz BSBGIVHREHXDAO-LLVKDONJSA-N 0 0 278.315 2.321 50 0 CEAARN Cc1cnn([C@H](C)[C@H](C)N[C@@H](C)c2nnc(C)o2)c1 ZINC000069463984 279034872 /nfs/dbraw/zinc/03/48/72/279034872.db2.gz OXTSBXKRWXTKJH-GARJFASQSA-N 0 0 263.345 2.183 50 0 CEAARN C[C@@H]1c2ccccc2CCN1C(=O)c1csc(CN)n1 ZINC000237599350 279133350 /nfs/dbraw/zinc/13/33/50/279133350.db2.gz CNCQYGYQBHKVNZ-SNVBAGLBSA-N 0 0 287.388 2.361 50 0 CEAARN Cc1nc2sc3c(c2c2ncnn21)CC(C)(C)OC3 ZINC000000549757 279146804 /nfs/dbraw/zinc/14/68/04/279146804.db2.gz MXGIKYQUWJSJMC-UHFFFAOYSA-N 0 0 274.349 2.499 50 0 CEAARN Cc1nccn1CCCN1CC[C@@]2(CCCO2)CCC1=O ZINC000072157555 279170802 /nfs/dbraw/zinc/17/08/02/279170802.db2.gz QQKYZOKRMFERIU-MRXNPFEDSA-N 0 0 291.395 2.143 50 0 CEAARN CCN(C[C@@H]1CCCO1)C(=O)CCc1ccc(O)cc1 ZINC000067713990 279219939 /nfs/dbraw/zinc/21/99/39/279219939.db2.gz MTIMBGXSLIKIQY-HNNXBMFYSA-N 0 0 277.364 2.352 50 0 CEAARN Cn1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)nn1 ZINC000038489175 279333414 /nfs/dbraw/zinc/33/34/14/279333414.db2.gz VKSJOVLLFQDDPD-UHFFFAOYSA-N 0 0 293.739 2.331 50 0 CEAARN Cn1ncc2c1ncnc2N1CC[C@@H]2CCCC[C@H]21 ZINC000230058266 279415530 /nfs/dbraw/zinc/41/55/30/279415530.db2.gz YRXJATPTYBQTCN-CMPLNLGQSA-N 0 0 257.341 2.132 50 0 CEAARN Fc1cnc(N2CCO[C@H](Cc3ccccc3)C2)nc1 ZINC000097035108 279473385 /nfs/dbraw/zinc/47/33/85/279473385.db2.gz LZGOBDAJNOURJY-CQSZACIVSA-N 0 0 273.311 2.064 50 0 CEAARN CCO/C=C/C(=O)N1CCOC2(CCCCC2)C1 ZINC000408517104 279518954 /nfs/dbraw/zinc/51/89/54/279518954.db2.gz DDTXFWUSIIMVOW-UXBLZVDNSA-N 0 0 253.342 2.098 50 0 CEAARN C[C@H]1CN(S(=O)(=O)c2ccco2)c2cccc(F)c2O1 ZINC000188860387 279875999 /nfs/dbraw/zinc/87/59/99/279875999.db2.gz NJFSVWNJXPAGJH-VIFPVBQESA-N 0 0 297.307 2.395 50 0 CEAARN CCO[C@H](CNC(=O)Nc1ccnn1C)c1ccccc1 ZINC000193896951 279901231 /nfs/dbraw/zinc/90/12/31/279901231.db2.gz GLCVXJWVNDOYDA-CYBMUJFWSA-N 0 0 288.351 2.319 50 0 CEAARN CCOc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCC)c1 ZINC000223852639 279969127 /nfs/dbraw/zinc/96/91/27/279969127.db2.gz ZBKCSSMDCREJFV-HUUCEWRRSA-N 0 0 293.363 2.009 50 0 CEAARN O=C(c1ccc(Cl)cc1)N1Cc2cncnc2C1 ZINC000096025444 280183605 /nfs/dbraw/zinc/18/36/05/280183605.db2.gz WAYCPQDVECRZMA-UHFFFAOYSA-N 0 0 259.696 2.286 50 0 CEAARN O=S(=O)(Nc1ccncc1)c1ccc(F)cc1 ZINC000004731530 280339210 /nfs/dbraw/zinc/33/92/10/280339210.db2.gz UQIBBQLKNXDGET-UHFFFAOYSA-N 0 0 252.270 2.022 50 0 CEAARN Cc1cc(C(=O)N[C@H]2CCCOc3ccccc32)n(C)n1 ZINC000069384446 280359595 /nfs/dbraw/zinc/35/95/95/280359595.db2.gz OBWVSSDIXXKWDV-ZDUSSCGKSA-N 0 0 285.347 2.372 50 0 CEAARN O=c1[nH]c([C@H]2CCOC2)nc2ccc(Br)cc12 ZINC000089800322 280386681 /nfs/dbraw/zinc/38/66/81/280386681.db2.gz BBEWOXLSXSJMEF-ZETCQYMHSA-N 0 0 295.136 2.190 50 0 CEAARN O=c1[nH]c2cc3nc(-c4cccc5c4OCO5)[nH]c3cc2[nH]1 ZINC000055325169 280387114 /nfs/dbraw/zinc/38/71/14/280387114.db2.gz SJHYHGWBANZLID-UHFFFAOYSA-N 0 0 294.270 2.128 50 0 CEAARN O=c1[nH]cnc2c1cnn2-c1cccc(C(F)(F)F)c1 ZINC000012769717 280387707 /nfs/dbraw/zinc/38/77/07/280387707.db2.gz ACCXPRCBLWJUGW-UHFFFAOYSA-N 0 0 280.209 2.128 50 0 CEAARN C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)N2CCC(O)CC2)o1 ZINC000254878082 280457122 /nfs/dbraw/zinc/45/71/22/280457122.db2.gz WDTCLALJFATMNW-ORRWMOISSA-N 0 0 275.348 2.400 50 0 CEAARN Cc1cc(NC(=O)N2CCn3cccc3[C@H]2C)no1 ZINC000048250439 280605949 /nfs/dbraw/zinc/60/59/49/280605949.db2.gz VYGRALIIODNPRD-SNVBAGLBSA-N 0 0 260.297 2.393 50 0 CEAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccncc1 ZINC000071280313 280743966 /nfs/dbraw/zinc/74/39/66/280743966.db2.gz NNGQICXPIODBHP-JTQLQIEISA-N 0 0 272.308 2.276 50 0 CEAARN Cc1cccc2c1CC(C)(C)N(C(=O)[C@@H]1COCCO1)C2 ZINC000296116499 281267847 /nfs/dbraw/zinc/26/78/47/281267847.db2.gz IVSJKZLLACWFRR-HNNXBMFYSA-N 0 0 289.375 2.074 50 0 CEAARN CCc1ccc(N2C(=O)C[C@]3(CCN=N3)C2=O)cc1 ZINC000004936545 281406239 /nfs/dbraw/zinc/40/62/39/281406239.db2.gz FEYCXAJJQWAEKF-CQSZACIVSA-N 0 0 257.293 2.107 50 0 CEAARN CCc1nnc(NC(=O)CNc2ccc(C)cc2)s1 ZINC000048513771 281560881 /nfs/dbraw/zinc/56/08/81/281560881.db2.gz YPXNKYBLVMRDTK-UHFFFAOYSA-N 0 0 276.365 2.460 50 0 CEAARN Cc1csc2ncc(C(=O)Nc3ccccc3)c(=O)n12 ZINC000004121130 281754628 /nfs/dbraw/zinc/75/46/28/281754628.db2.gz GCMNOAKSNXYPNB-UHFFFAOYSA-N 0 0 285.328 2.317 50 0 CEAARN Cc1nc2c3ccccc3nc(N[C@@H]3CCCC[C@@H]3O)n2n1 ZINC000095395452 282047907 /nfs/dbraw/zinc/04/79/07/282047907.db2.gz MXMQTTJQWFMLQL-KGLIPLIRSA-N 0 0 297.362 2.301 50 0 CEAARN C[C@@H]1c2ccsc2CCN1C(=O)c1ccn(C)c(=O)c1 ZINC000028483221 289096742 /nfs/dbraw/zinc/09/67/42/289096742.db2.gz IREUERDFQYXFNT-SNVBAGLBSA-N 0 0 288.372 2.206 50 0 CEAARN CN(C)[C@@H](C(=O)N1CCSCC1)c1ccccc1F ZINC000095383614 289271970 /nfs/dbraw/zinc/27/19/70/289271970.db2.gz KPKMGSAUTLXMHD-CYBMUJFWSA-N 0 0 282.384 2.004 50 0 CEAARN CN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccncc1 ZINC000004295516 289860136 /nfs/dbraw/zinc/86/01/36/289860136.db2.gz ORAQVTZAQJLOAU-CQSZACIVSA-N 0 0 292.294 2.363 50 0 CEAARN Cc1cnccc1C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000091663411 292978820 /nfs/dbraw/zinc/97/88/20/292978820.db2.gz JGEVFHFIGWPOJM-CYBMUJFWSA-N 0 0 255.321 2.343 50 0 CEAARN Cc1nc(NC(=O)c2nnsc2C)sc1C ZINC000072239906 293339061 /nfs/dbraw/zinc/33/90/61/293339061.db2.gz IAHOEWFJFMZDRH-UHFFFAOYSA-N 0 0 254.340 2.172 50 0 CEAARN Clc1c[nH]cc2c(I)nnc1-2 ZINC000095099744 294122477 /nfs/dbraw/zinc/12/24/77/294122477.db2.gz XLQSGTVPYYFSFC-UHFFFAOYSA-N 0 0 279.468 2.216 50 0 CEAARN Cn1ccc2c1nccc2-c1nc2c(cc1C(N)=O)CCC2 ZINC000072146884 294362473 /nfs/dbraw/zinc/36/24/73/294362473.db2.gz DIBLBYPTVVABFH-UHFFFAOYSA-N 0 0 292.342 2.223 50 0 CEAARN COc1cc([C@@H]2NC(=O)[C@H]3CCCCN32)ccc1SC ZINC000078759283 295021300 /nfs/dbraw/zinc/02/13/00/295021300.db2.gz GIBVIMQUHXMVKA-BXUZGUMPSA-N 0 0 292.404 2.400 50 0 CEAARN NC(=O)c1cc(Br)cc(F)c1Br ZINC000263625228 295170220 /nfs/dbraw/zinc/17/02/20/295170220.db2.gz XWNRCPMBXDDDNF-UHFFFAOYSA-N 0 0 296.921 2.450 50 0 CEAARN NC(=O)c1cc(NC(=O)N2CCCCCC2)ccc1F ZINC000040527069 295173418 /nfs/dbraw/zinc/17/34/18/295173418.db2.gz KVVSSOSKVKOFHL-UHFFFAOYSA-N 0 0 279.315 2.333 50 0 CEAARN NC(=O)c1cccc(NC(=O)[C@@H]2CCCc3ccccc32)n1 ZINC000078869237 295188688 /nfs/dbraw/zinc/18/86/88/295188688.db2.gz BDANQUJDJLGJMY-CYBMUJFWSA-N 0 0 295.342 2.239 50 0 CEAARN Nc1cc(=O)[nH]c(=S)n1-c1ccccc1Cl ZINC000000337987 295347414 /nfs/dbraw/zinc/34/74/14/295347414.db2.gz PCYICYZSWYQCTB-UHFFFAOYSA-N 0 0 253.714 2.131 50 0 CEAARN COc1ccccc1/C=C\C(=O)N1[C@H](C)COC[C@H]1C ZINC000252476935 295346868 /nfs/dbraw/zinc/34/68/68/295346868.db2.gz FAVAYMLBRUEXHB-WACGGTQYSA-N 0 0 275.348 2.344 50 0 CEAARN Nc1nc2cc(I)ccc2o1 ZINC000017285292 295370246 /nfs/dbraw/zinc/37/02/46/295370246.db2.gz VLQYRAJKFGZRNV-UHFFFAOYSA-N 0 0 260.034 2.015 50 0 CEAARN Nc1ncc(C(F)(F)F)cc1I ZINC000016698750 295370853 /nfs/dbraw/zinc/37/08/53/295370853.db2.gz VOBRARFDTYAAFC-UHFFFAOYSA-N 0 0 288.010 2.287 50 0 CEAARN O=C(CCc1ccoc1)N1CCc2ccccc2[C@H]1CO ZINC000170084036 295485024 /nfs/dbraw/zinc/48/50/24/295485024.db2.gz IYQJPYZHFRIDBV-MRXNPFEDSA-N 0 0 285.343 2.331 50 0 CEAARN O=C(NC(=S)N1CCCCCC1)c1ccco1 ZINC000000191552 295590083 /nfs/dbraw/zinc/59/00/83/295590083.db2.gz FXZCSWSNZCINIT-UHFFFAOYSA-N 0 0 252.339 2.170 50 0 CEAARN Cc1ncccc1CNC(=O)N[C@@H](c1nccn1C)C1CC1 ZINC000527937485 297765337 /nfs/dbraw/zinc/76/53/37/297765337.db2.gz HXGMBEQUGVGHTN-CQSZACIVSA-N 0 0 299.378 2.074 50 0 CEAARN FC(F)(F)c1ccnc(NCc2noc(C3CC3)n2)n1 ZINC000535006929 298179647 /nfs/dbraw/zinc/17/96/47/298179647.db2.gz WWNQGKHUSFZVLL-UHFFFAOYSA-N 0 0 285.229 2.368 50 0 CEAARN O=C1NC2=Cc3ccccc3[C@@]2(O)Cc2ccccc21 ZINC000003848031 304664698 /nfs/dbraw/zinc/66/46/98/304664698.db2.gz QITFWXNBCQBXOG-KRWDZBQOSA-N 0 0 263.296 2.215 50 0 CEAARN Cc1cc(C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000000183442 301197275 /nfs/dbraw/zinc/19/72/75/301197275.db2.gz HAUGIMBWAOJNRE-KBPBESRZSA-N 0 0 297.420 2.410 50 0 CEAARN Cc1cc(C)nc(CN2CC[C@]3(CCCO3)CCC2=O)n1 ZINC000071761031 301260674 /nfs/dbraw/zinc/26/06/74/301260674.db2.gz ZKZDMOZNKHQFSJ-INIZCTEOSA-N 0 0 289.379 2.155 50 0 CEAARN Cc1ncccc1C(=O)N1CCOC[C@@H]1CC(C)C ZINC000071042427 302712325 /nfs/dbraw/zinc/71/23/25/302712325.db2.gz FXWKQBJMCVDUJP-ZDUSSCGKSA-N 0 0 262.353 2.277 50 0 CEAARN Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2nc3c(s2)CCC3)cn1 ZINC000065565081 302927795 /nfs/dbraw/zinc/92/77/95/302927795.db2.gz SXRJTJJFPWAYLF-UWVGGRQHSA-N 0 0 288.376 2.108 50 0 CEAARN NC(=O)c1ccccc1OS(=O)(=O)CC1CCCCC1 ZINC000078503120 303349095 /nfs/dbraw/zinc/34/90/95/303349095.db2.gz PYLLFPDUYZCIPU-UHFFFAOYSA-N 0 0 297.376 2.074 50 0 CEAARN O=C(N[C@@H]1CCc2c1cccc2O)c1cc2n(n1)CCCC2 ZINC000333344435 303894551 /nfs/dbraw/zinc/89/45/51/303894551.db2.gz UHQJUSPDMPRCPF-CQSZACIVSA-N 0 0 297.358 2.342 50 0 CEAARN O[C@]12CCCC[C@H]1C1(CCCCC1)NC(=S)N2 ZINC000000338282 304843861 /nfs/dbraw/zinc/84/38/61/304843861.db2.gz HHPNKWMNAYKCDM-GXFFZTMASA-N 0 0 254.399 2.046 50 0 CEAARN CCO[C@@]1(C)C[C@H]1NC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000528023792 313227952 /nfs/dbraw/zinc/22/79/52/313227952.db2.gz AFMIUAHDKIIBSJ-LUYZLQTOSA-N 0 0 292.354 2.490 50 0 CEAARN CC(C)c1nnc(Cn2cnc(C(F)F)cc2=O)s1 ZINC000530109136 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O=C(c1cnccn1)N(CCc1cccc(F)c1)C1CC1 ZINC000070959457 176016978 /nfs/dbraw/zinc/01/69/78/176016978.db2.gz DRPSRRKVSKIQAL-UHFFFAOYSA-N 0 0 285.322 2.463 50 0 CEAARN Cc1ccc(CC(=O)N(C)Cc2nnc3ccccn32)cc1 ZINC000071186086 176060359 /nfs/dbraw/zinc/06/03/59/176060359.db2.gz VCNVRDZMFMZJCR-UHFFFAOYSA-N 0 0 294.358 2.239 50 0 CEAARN c1cncc(-c2nc3nccc(-c4ccncc4)n3n2)c1 ZINC000071288017 176110454 /nfs/dbraw/zinc/11/04/54/176110454.db2.gz WROWNJJKNLEHOL-UHFFFAOYSA-N 0 0 274.287 2.248 50 0 CEAARN Cn1cc(CSCC(=O)Nc2ccccc2)cn1 ZINC000071434512 176167789 /nfs/dbraw/zinc/16/77/89/176167789.db2.gz PCVDELIHRQXJPU-UHFFFAOYSA-N 0 0 261.350 2.292 50 0 CEAARN Cc1cc(C2CCC2)nc(NCCn2cccn2)n1 ZINC000071748002 176259161 /nfs/dbraw/zinc/25/91/61/176259161.db2.gz AUZRUWFVNBKCFC-UHFFFAOYSA-N 0 0 257.341 2.361 50 0 CEAARN O=C(c1ccc2cccnc2n1)N1CCC2(CCCO2)CC1 ZINC000071764749 176261840 /nfs/dbraw/zinc/26/18/40/176261840.db2.gz SNPAOXDTJCNXGB-UHFFFAOYSA-N 0 0 297.358 2.415 50 0 CEAARN CCO[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000071827133 176271867 /nfs/dbraw/zinc/27/18/67/176271867.db2.gz HRWBTPLOOPFPPA-SNVBAGLBSA-N 0 0 256.733 2.309 50 0 CEAARN C[C@@H](C1CC1)N(C)S(=O)(=O)c1c(F)cccc1F ZINC000071836413 176274008 /nfs/dbraw/zinc/27/40/08/176274008.db2.gz POWXPIIWNVGCFL-QMMMGPOBSA-N 0 0 275.320 2.384 50 0 CEAARN c1ncn(C[C@H]2CCCCN2Cc2nc3ccccc3o2)n1 ZINC000071876201 176286005 /nfs/dbraw/zinc/28/60/05/176286005.db2.gz URACAZJARFVLBQ-CYBMUJFWSA-N 0 0 297.362 2.474 50 0 CEAARN C[C@@H](C(=O)NCCc1ccco1)N1CCc2ccccc2C1 ZINC000071893227 176291601 /nfs/dbraw/zinc/29/16/01/176291601.db2.gz FESALPREJJDNFH-AWEZNQCLSA-N 0 0 298.386 2.385 50 0 CEAARN CCOC(=O)c1cnn(Cc2cc(C)no2)c1C(F)F ZINC000071899889 176293473 /nfs/dbraw/zinc/29/34/73/176293473.db2.gz QUUBUGZZXOJZNS-UHFFFAOYSA-N 0 0 285.250 2.342 50 0 CEAARN CSC[C@@H](C)C(=O)N(CCO)Cc1ccccc1 ZINC000071904770 176295951 /nfs/dbraw/zinc/29/59/51/176295951.db2.gz DSJLMJLIVKZTDH-GFCCVEGCSA-N 0 0 267.394 2.007 50 0 CEAARN C[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)c2ccccc21 ZINC000071912974 176298255 /nfs/dbraw/zinc/29/82/55/176298255.db2.gz HUJFIJOZWPAIPD-LLVKDONJSA-N 0 0 289.379 2.234 50 0 CEAARN CCOC(=O)CCCCn1nnc(-c2ccccc2C)n1 ZINC000071916006 176299166 /nfs/dbraw/zinc/29/91/66/176299166.db2.gz IBCGRPHKKXHBKF-UHFFFAOYSA-N 0 0 288.351 2.382 50 0 CEAARN Cc1ccc(C(=O)Nc2nc(C3CC3)cs2)c(=O)[nH]1 ZINC000071942688 176303007 /nfs/dbraw/zinc/30/30/07/176303007.db2.gz ZXZGIMJQLQQGSN-UHFFFAOYSA-N 0 0 275.333 2.270 50 0 CEAARN C[C@H]1C[C@H]1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000072094787 176314543 /nfs/dbraw/zinc/31/45/43/176314543.db2.gz AMXGUUQKMJIJFU-GXFFZTMASA-N 0 0 293.798 2.476 50 0 CEAARN CC(C)c1noc(CN2CC[C@@]3(CCCO3)CCC2=O)n1 ZINC000072130680 176321610 /nfs/dbraw/zinc/32/16/10/176321610.db2.gz WNPPLURTNJCTCN-OAHLLOKOSA-N 0 0 293.367 2.255 50 0 CEAARN c1nncn1-c1ccccc1OCc1nc(CC2CC2)no1 ZINC000072132069 176321795 /nfs/dbraw/zinc/32/17/95/176321795.db2.gz GHPAJFSQILBESL-UHFFFAOYSA-N 0 0 297.318 2.182 50 0 CEAARN O=C(NC1CC1)c1ccnc(-c2cccc3ccnn32)c1 ZINC000072135273 176322055 /nfs/dbraw/zinc/32/20/55/176322055.db2.gz PWLGGTMMMAZDIG-UHFFFAOYSA-N 0 0 278.315 2.289 50 0 CEAARN Cc1nc(CN2CCC[C@]3(CN(C)C(=O)O3)C2)sc1C ZINC000072151005 176327602 /nfs/dbraw/zinc/32/76/02/176327602.db2.gz BQVDMMKQMNMWLM-AWEZNQCLSA-N 0 0 295.408 2.177 50 0 CEAARN CCc1nc2c(cnn2C)c(N(C)Cc2ccncc2C)n1 ZINC000072172846 176333604 /nfs/dbraw/zinc/33/36/04/176333604.db2.gz XPUMOHONSVKISS-UHFFFAOYSA-N 0 0 296.378 2.266 50 0 CEAARN Cc1nc([C@@H]2CCCN(C(=O)c3scnc3C)C2)no1 ZINC000072231807 176344333 /nfs/dbraw/zinc/34/43/33/176344333.db2.gz KSIJQKICHIDNHF-SNVBAGLBSA-N 0 0 292.364 2.163 50 0 CEAARN CCn1nc(C)cc1-c1nc(-c2ccccn2)no1 ZINC000072241208 176348701 /nfs/dbraw/zinc/34/87/01/176348701.db2.gz OLOSHXZRXGKGTM-UHFFFAOYSA-N 0 0 255.281 2.323 50 0 CEAARN Cc1cc(C(=O)N2CCCCC2)nc(N2CCCC2)n1 ZINC000072241151 176348944 /nfs/dbraw/zinc/34/89/44/176348944.db2.gz WHOHSLNQAUKEQS-UHFFFAOYSA-N 0 0 274.368 2.011 50 0 CEAARN O=C(NCC[C@@H](O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000072259942 176351109 /nfs/dbraw/zinc/35/11/09/176351109.db2.gz RVPUTDMAYBETLR-CQSZACIVSA-N 0 0 299.326 2.269 50 0 CEAARN Cc1nonc1C(=O)Nc1ccc(-n2ccnc2C)cc1 ZINC000072264868 176351690 /nfs/dbraw/zinc/35/16/90/176351690.db2.gz CNVKVWUYLJDBSW-UHFFFAOYSA-N 0 0 283.291 2.124 50 0 CEAARN C[C@H](c1ccccn1)N1CCN(Cc2ccccn2)CC1 ZINC000072273192 176354956 /nfs/dbraw/zinc/35/49/56/176354956.db2.gz QDLVWSCWIUEKCW-OAHLLOKOSA-N 0 0 282.391 2.355 50 0 CEAARN O=C(Cc1ccccc1Br)Nc1cn[nH]c1 ZINC000072272589 176355207 /nfs/dbraw/zinc/35/52/07/176355207.db2.gz PTYJRWWFORUAOG-UHFFFAOYSA-N 0 0 280.125 2.353 50 0 CEAARN CC1CCC(C)(NC(=O)NC[C@H]2CCOC2)CC1 ZINC000072274257 176355585 /nfs/dbraw/zinc/35/55/85/176355585.db2.gz AQLYMHVZRWSHRZ-MBHSVXNSSA-N 0 0 254.374 2.291 50 0 CEAARN COC[C@H](C)NC(=O)NC1(c2ccccc2)CCC1 ZINC000072280255 176358529 /nfs/dbraw/zinc/35/85/29/176358529.db2.gz IUZHWYQGKYFDBQ-LBPRGKRZSA-N 0 0 262.353 2.400 50 0 CEAARN COC(=O)CN(C(=O)[C@@H]1CC=CCC1)c1cccc(C)n1 ZINC000072288156 176361049 /nfs/dbraw/zinc/36/10/49/176361049.db2.gz AQFNMIXKMAFKHW-CYBMUJFWSA-N 0 0 288.347 2.252 50 0 CEAARN CS(=O)(=O)c1ccsc1NC(=O)c1ccccc1 ZINC000072288252 176361086 /nfs/dbraw/zinc/36/10/86/176361086.db2.gz DTWMITSMFYBKJI-UHFFFAOYSA-N 0 0 281.358 2.404 50 0 CEAARN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2)C12CCCC2 ZINC000072293751 176362521 /nfs/dbraw/zinc/36/25/21/176362521.db2.gz CVDUSJCFICWEDY-ZIAGYGMSSA-N 0 0 291.395 2.230 50 0 CEAARN C[C@H]1CN(C(=O)c2ccco2)CCN1C(=O)OC(C)(C)C ZINC000072297193 176364141 /nfs/dbraw/zinc/36/41/41/176364141.db2.gz AGXKDIBZEZKPDL-NSHDSACASA-N 0 0 294.351 2.361 50 0 CEAARN COC(C)(C)c1noc(CCc2c(C)nn(C)c2C)n1 ZINC000072312882 176368294 /nfs/dbraw/zinc/36/82/94/176368294.db2.gz CYUMPKWZORDJKA-UHFFFAOYSA-N 0 0 278.356 2.087 50 0 CEAARN Cc1ccc(NC(=O)NC(C)(C)CCO)cc1F ZINC000072313535 176368357 /nfs/dbraw/zinc/36/83/57/176368357.db2.gz OCSGKIRWNWHOJH-UHFFFAOYSA-N 0 0 254.305 2.417 50 0 CEAARN CSc1nsc(NC(=O)c2cc(C(C)C)nn2C)n1 ZINC000072398346 176396552 /nfs/dbraw/zinc/39/65/52/176396552.db2.gz WPNRMRAYTPQCHW-UHFFFAOYSA-N 0 0 297.409 2.369 50 0 CEAARN Cc1cc2nc(C)cc(NC[C@H](O)c3ccccc3)n2n1 ZINC000072411114 176398550 /nfs/dbraw/zinc/39/85/50/176398550.db2.gz OSEDNOSCVFEFOK-AWEZNQCLSA-N 0 0 282.347 2.492 50 0 CEAARN CSCC(=O)N(C)Cc1ccc(-n2cccn2)cc1 ZINC000072433286 176402564 /nfs/dbraw/zinc/40/25/64/176402564.db2.gz SJMZIFVXMAWDHR-UHFFFAOYSA-N 0 0 275.377 2.194 50 0 CEAARN Cc1cc2nc(C)cc(NCCc3ccccn3)n2n1 ZINC000072470796 176406403 /nfs/dbraw/zinc/40/64/03/176406403.db2.gz VXLZTXZUJNUIFQ-UHFFFAOYSA-N 0 0 267.336 2.396 50 0 CEAARN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N(C)[C@@H](C)C1CC1 ZINC000074675222 176597704 /nfs/dbraw/zinc/59/77/04/176597704.db2.gz XVQRPJFCKMNPPU-PWSUYJOCSA-N 0 0 292.427 2.408 50 0 CEAARN Cc1cnc([C@@H](NC(=O)N2CCOC[C@H]2C)C2CC2)s1 ZINC000074706516 176602796 /nfs/dbraw/zinc/60/27/96/176602796.db2.gz WGVKZZNHGGITCY-SKDRFNHKSA-N 0 0 295.408 2.333 50 0 CEAARN Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(=O)[nH]1 ZINC000075118641 176661776 /nfs/dbraw/zinc/66/17/76/176661776.db2.gz VGXTXBUCQBEIMY-SNVBAGLBSA-N 0 0 296.330 2.051 50 0 CEAARN Cc1ccc(C(=O)NCCc2ccc(Cl)s2)c(=O)[nH]1 ZINC000075120184 176661929 /nfs/dbraw/zinc/66/19/29/176661929.db2.gz OFSJHVHTNKFMGJ-UHFFFAOYSA-N 0 0 296.779 2.371 50 0 CEAARN COc1cccc(CCc2nc(-c3ccc(=O)[nH]c3)no2)c1 ZINC000075505335 176723091 /nfs/dbraw/zinc/72/30/91/176723091.db2.gz AQWVYPHPDLLGPR-UHFFFAOYSA-N 0 0 297.314 2.219 50 0 CEAARN CO[C@H](CNC(=O)[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000076067225 176896788 /nfs/dbraw/zinc/89/67/88/176896788.db2.gz JIISNZMXLSDOPQ-WCQYABFASA-N 0 0 283.755 2.180 50 0 CEAARN C[C@@H](O)CC(C)(C)CNC(=O)N[C@@H](C)c1nccs1 ZINC000076086990 176908326 /nfs/dbraw/zinc/90/83/26/176908326.db2.gz NKEDGFWROBEZHS-ZJUUUORDSA-N 0 0 285.413 2.300 50 0 CEAARN CC[C@@H]1C(=O)NCCN1Cc1csc(-c2ccoc2)n1 ZINC000076417499 177022322 /nfs/dbraw/zinc/02/23/22/177022322.db2.gz AJYJICLRKBVZPS-GFCCVEGCSA-N 0 0 291.376 2.114 50 0 CEAARN CCNC(=O)CCCC(=O)Oc1ccc(F)cc1F ZINC000076815636 177106899 /nfs/dbraw/zinc/10/68/99/177106899.db2.gz PGSVTNFURQJVBY-UHFFFAOYSA-N 0 0 271.263 2.177 50 0 CEAARN C[C@H]1C[C@@H]1COC(=O)c1cn(Cc2cccs2)nn1 ZINC000076884431 177126543 /nfs/dbraw/zinc/12/65/43/177126543.db2.gz DXXQKGJQPSLGFV-VHSXEESVSA-N 0 0 277.349 2.201 50 0 CEAARN O=C(NCC[C@@H](O)C1CC1)c1ccccc1Br ZINC000077107743 177224999 /nfs/dbraw/zinc/22/49/99/177224999.db2.gz RDWNPODFCVWVIR-GFCCVEGCSA-N 0 0 298.180 2.340 50 0 CEAARN CC(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)cc1 ZINC000077152821 177228558 /nfs/dbraw/zinc/22/85/58/177228558.db2.gz MYUXKDKELAAHFG-CABCVRRESA-N 0 0 275.348 2.170 50 0 CEAARN COc1cc(NC(=O)Nc2cccs2)ncn1 ZINC000077199082 177232720 /nfs/dbraw/zinc/23/27/20/177232720.db2.gz GHOHIVDONRXHII-UHFFFAOYSA-N 0 0 250.283 2.191 50 0 CEAARN CC(C)c1nc(CN(C)c2ncnc3[nH]ccc32)no1 ZINC000077341071 177254535 /nfs/dbraw/zinc/25/45/35/177254535.db2.gz UGPIIOBLBLCVSD-UHFFFAOYSA-N 0 0 272.312 2.101 50 0 CEAARN COCCC[C@@H]1CCCN(c2ncc(OC)cn2)C1 ZINC000077377953 177260641 /nfs/dbraw/zinc/26/06/41/177260641.db2.gz WSWPXJJILIAOJO-LBPRGKRZSA-N 0 0 265.357 2.128 50 0 CEAARN CCOCCNC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000077446218 177269836 /nfs/dbraw/zinc/26/98/36/177269836.db2.gz SSGVUQYEPDRKMB-UHFFFAOYSA-N 0 0 288.351 2.245 50 0 CEAARN CCn1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1=O ZINC000077453319 177270275 /nfs/dbraw/zinc/27/02/75/177270275.db2.gz MYFRXCANLMYHKP-OAHLLOKOSA-N 0 0 297.358 2.241 50 0 CEAARN CCN(Cc1ccccc1SC)[C@H]1CCS(=O)(=O)C1 ZINC000077538542 177279340 /nfs/dbraw/zinc/27/93/40/177279340.db2.gz QUPJQFVSLPOJMY-ZDUSSCGKSA-N 0 0 299.461 2.418 50 0 CEAARN Cc1ccc(NC(=O)N[C@H](C)[C@H](C)CO)c(C)c1 ZINC000077658505 177291607 /nfs/dbraw/zinc/29/16/07/177291607.db2.gz KUQYFXUKIWIAPE-VXGBXAGGSA-N 0 0 250.342 2.442 50 0 CEAARN Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c(C)c1 ZINC000077658502 177291777 /nfs/dbraw/zinc/29/17/77/177291777.db2.gz KUQYFXUKIWIAPE-RYUDHWBXSA-N 0 0 250.342 2.442 50 0 CEAARN CC(=O)c1ccccc1NC(=O)Cn1cc(Cl)cn1 ZINC000077956507 177312685 /nfs/dbraw/zinc/31/26/85/177312685.db2.gz ZBZVRRRWMJBVOI-UHFFFAOYSA-N 0 0 277.711 2.378 50 0 CEAARN CCS(=O)(=O)NCCS[C@H](C)c1cccs1 ZINC000077962330 177313374 /nfs/dbraw/zinc/31/33/74/177313374.db2.gz VPJKBXYDHMEWOB-SECBINFHSA-N 0 0 279.452 2.482 50 0 CEAARN C[C@@H](O)CCN(C)c1ccc(Br)cn1 ZINC000078417709 177339995 /nfs/dbraw/zinc/33/99/95/177339995.db2.gz QFVSOUUVITYYDO-MRVPVSSYSA-N 0 0 259.147 2.051 50 0 CEAARN CC(C)(C)OC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000078643814 177364699 /nfs/dbraw/zinc/36/46/99/177364699.db2.gz CSSCTEBSKFEIGL-LLVKDONJSA-N 0 0 268.357 2.008 50 0 CEAARN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000078673862 177369226 /nfs/dbraw/zinc/36/92/26/177369226.db2.gz YJSMNHDVILUPPK-LBPRGKRZSA-N 0 0 280.412 2.187 50 0 CEAARN c1nc(CCc2nc(-c3ccccn3)no2)cs1 ZINC000078773810 177385169 /nfs/dbraw/zinc/38/51/69/177385169.db2.gz JHICJVUVJNVFIX-UHFFFAOYSA-N 0 0 258.306 2.373 50 0 CEAARN CCOCCSc1ccccc1S(C)(=O)=O ZINC000078776449 177386160 /nfs/dbraw/zinc/38/61/60/177386160.db2.gz 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O[C@H](CNc1cncc(Cl)n1)c1ccccc1F ZINC000096453431 230376490 /nfs/dbraw/zinc/37/64/90/230376490.db2.gz MALNQEMVCGGTKY-SNVBAGLBSA-N 0 0 267.691 2.415 50 0 CEAARN CC(C)c1cc(C(=O)N2CCC(F)(F)CC2)n(C)n1 ZINC000082109272 177921655 /nfs/dbraw/zinc/92/16/55/177921655.db2.gz RCYNXYMZELCMSA-UHFFFAOYSA-N 0 0 271.311 2.415 50 0 CEAARN Cc1nnnn1Cc1c(Cl)ccc2cccnc21 ZINC000096467719 230378881 /nfs/dbraw/zinc/37/88/81/230378881.db2.gz KGWXWZUYCVIGLD-UHFFFAOYSA-N 0 0 259.700 2.231 50 0 CEAARN O=C(NCc1nncn1-c1ccccc1)c1ccccc1 ZINC000032211510 361733911 /nfs/dbraw/zinc/73/39/11/361733911.db2.gz BLNIIBUMWUPAQP-UHFFFAOYSA-N 0 0 278.315 2.197 50 0 CEAARN CCn1cc(CNc2ccc(-n3ccnc3C)nc2)cn1 ZINC000096495346 230383876 /nfs/dbraw/zinc/38/38/76/230383876.db2.gz DWTKJDALWLSPRS-UHFFFAOYSA-N 0 0 282.351 2.404 50 0 CEAARN CO[C@@H](c1n[nH]c(C2CCOCC2)n1)c1ccccc1 ZINC000097742711 230387073 /nfs/dbraw/zinc/38/70/73/230387073.db2.gz IZBKANXEOXGOGB-CYBMUJFWSA-N 0 0 273.336 2.435 50 0 CEAARN Cc1nn(CC[C@@H]2CCCO2)c(C)c1[C@@H]1CCCC(=O)N1 ZINC000408525363 230406179 /nfs/dbraw/zinc/40/61/79/230406179.db2.gz YKSNTJPEEXSKJJ-KBPBESRZSA-N 0 0 291.395 2.410 50 0 CEAARN CC(C)c1nc(CN2CC3(CCCC3)CC2=O)no1 ZINC000095508620 185000860 /nfs/dbraw/zinc/00/08/60/185000860.db2.gz QWCORYRNARGPPU-UHFFFAOYSA-N 0 0 263.341 2.486 50 0 CEAARN O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@H]1CO ZINC000095531350 185005360 /nfs/dbraw/zinc/00/53/60/185005360.db2.gz RRPRBAMGWIYRFX-AWEZNQCLSA-N 0 0 260.337 2.164 50 0 CEAARN Cc1n[nH]cc1-c1c[nH]c(C(=O)N2CCCCC2)c1 ZINC000426658143 230425797 /nfs/dbraw/zinc/42/57/97/230425797.db2.gz ABNNZWDXMKHZKR-UHFFFAOYSA-N 0 0 258.325 2.339 50 0 CEAARN COc1cccc(-n2nc(C)c([C@@H]3COCCN3)c2C)c1 ZINC000095829219 185029248 /nfs/dbraw/zinc/02/92/48/185029248.db2.gz FGWQSXYWXCMULL-HNNXBMFYSA-N 0 0 287.363 2.159 50 0 CEAARN CCCCCS(=O)(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000095939989 185035305 /nfs/dbraw/zinc/03/53/05/185035305.db2.gz HBDXFPKPUXJIIR-CQSZACIVSA-N 0 0 298.408 2.055 50 0 CEAARN COC(=O)C1(NCc2ccc(OC)c(SC)c2)CC1 ZINC000095943542 185036992 /nfs/dbraw/zinc/03/69/92/185036992.db2.gz IKBNILXALGJQTB-UHFFFAOYSA-N 0 0 281.377 2.212 50 0 CEAARN CON(C)C(=O)NCc1ccccc1OC(C)C ZINC000095942793 185037244 /nfs/dbraw/zinc/03/72/44/185037244.db2.gz HGNJZZVMVZHLQA-UHFFFAOYSA-N 0 0 252.314 2.177 50 0 CEAARN CSC[C@@H](C)NC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000095974062 185050245 /nfs/dbraw/zinc/05/02/45/185050245.db2.gz KRXLKBWFKWXUID-MNOVXSKESA-N 0 0 276.446 2.080 50 0 CEAARN COC(=O)[C@@H](C)SCc1cc2ccccc2c(=O)[nH]1 ZINC000095945761 185038098 /nfs/dbraw/zinc/03/80/98/185038098.db2.gz LWWMWHHOURZNRZ-SECBINFHSA-N 0 0 277.345 2.323 50 0 CEAARN CC(C)=CC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 ZINC000095947997 185038401 /nfs/dbraw/zinc/03/84/01/185038401.db2.gz XLJCZXHJKZMWAG-UHFFFAOYSA-N 0 0 290.348 2.142 50 0 CEAARN CC(=O)c1cccc(OC[C@@H](O)Cn2cc(Cl)cn2)c1 ZINC000095974756 185050111 /nfs/dbraw/zinc/05/01/11/185050111.db2.gz FDZZGGFKZZMMAG-ZDUSSCGKSA-N 0 0 294.738 2.179 50 0 CEAARN COc1ccc(CNC(=O)c2c(C)noc2C)cc1F ZINC000095949148 185039093 /nfs/dbraw/zinc/03/90/93/185039093.db2.gz AENSDWIAUCODOC-UHFFFAOYSA-N 0 0 278.283 2.369 50 0 CEAARN COc1cccc(OCC(=O)Nc2cnccc2C)c1 ZINC000095948391 185039168 /nfs/dbraw/zinc/03/91/68/185039168.db2.gz FUZCVMWTAKOOLN-UHFFFAOYSA-N 0 0 272.304 2.416 50 0 CEAARN CC[C@@H](CC1CC1)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000095958989 185044058 /nfs/dbraw/zinc/04/40/58/185044058.db2.gz AGDRPSZMSFDHFV-GJZGRUSLSA-N 0 0 292.423 2.330 50 0 CEAARN OCCN(CCc1ccccc1)c1ccc(O)cc1 ZINC000095964445 185044318 /nfs/dbraw/zinc/04/43/18/185044318.db2.gz FBJIVZHAMFWNPI-UHFFFAOYSA-N 0 0 257.333 2.434 50 0 CEAARN O=C(Cc1cccs1)NC[C@@H](O)c1c(F)cccc1F ZINC000095966653 185045306 /nfs/dbraw/zinc/04/53/06/185045306.db2.gz FWJGRANBJAMPOH-GFCCVEGCSA-N 0 0 297.326 2.419 50 0 CEAARN CC[C@H](CO)NC(=O)c1ccc(NCC2CCC2)cc1 ZINC000095973477 185049320 /nfs/dbraw/zinc/04/93/20/185049320.db2.gz OTWHIXUODCIQAJ-CQSZACIVSA-N 0 0 276.380 2.399 50 0 CEAARN CCO[C@@H](C)c1nccn1CCC(=O)Nc1cc(C)on1 ZINC000095974686 185049733 /nfs/dbraw/zinc/04/97/33/185049733.db2.gz WFIYYXFQZBLZBH-NSHDSACASA-N 0 0 292.339 2.306 50 0 CEAARN CC(C)[C@@H](O)C(C)(C)CNC(=O)N[C@H]1CC=CCC1 ZINC000095974065 185050280 /nfs/dbraw/zinc/05/02/80/185050280.db2.gz NNCLPERXSHOXFF-QWHCGFSZSA-N 0 0 268.401 2.437 50 0 CEAARN O=C(/C=C/SCc1ccco1)N[C@@H]1C=C[C@H](CO)C1 ZINC000095976838 185050860 /nfs/dbraw/zinc/05/08/60/185050860.db2.gz TZXMYPPRWIPTKY-GAEWNOSXSA-N 0 0 279.361 2.080 50 0 CEAARN CC(C)c1noc([C@@H](C)SCCN2CCOCC2)n1 ZINC000095977057 185051614 /nfs/dbraw/zinc/05/16/14/185051614.db2.gz YSWXUJBLTOQCJX-LLVKDONJSA-N 0 0 285.413 2.319 50 0 CEAARN O=C(COC1CCCCC1)Nc1cccc(CO)c1 ZINC000095977685 185052281 /nfs/dbraw/zinc/05/22/81/185052281.db2.gz CZIMBMPQBMQMGN-UHFFFAOYSA-N 0 0 263.337 2.467 50 0 CEAARN Cc1cnccc1NC(=O)NC[C@H](O)Cc1ccccc1 ZINC000095981976 185054123 /nfs/dbraw/zinc/05/41/23/185054123.db2.gz CJSHCCDGLREBPR-CQSZACIVSA-N 0 0 285.347 2.115 50 0 CEAARN Cc1cc(F)ccc1C(=O)N[C@@H](CO)CC(C)C ZINC000095981868 185054261 /nfs/dbraw/zinc/05/42/61/185054261.db2.gz WHFIBFBZQGZQEQ-GFCCVEGCSA-N 0 0 253.317 2.271 50 0 CEAARN Cc1ccc(C(=O)NC[C@H]2COC3(CCCCC3)O2)cn1 ZINC000095986983 185056109 /nfs/dbraw/zinc/05/61/09/185056109.db2.gz OFAWOQOKDOPMPC-AWEZNQCLSA-N 0 0 290.363 2.196 50 0 CEAARN COc1ccccc1NC(=O)C[C@H](C)Nc1ccnn1C ZINC000095991532 185058273 /nfs/dbraw/zinc/05/82/73/185058273.db2.gz CFEKIWNOQIBMJW-NSHDSACASA-N 0 0 288.351 2.258 50 0 CEAARN CCc1ccsc1C(=O)Nc1cnccc1CO ZINC000095992211 185058722 /nfs/dbraw/zinc/05/87/22/185058722.db2.gz CXSLYSSBNKHAKC-UHFFFAOYSA-N 0 0 262.334 2.450 50 0 CEAARN C[C@H](NC(=O)N(C)C[C@@H]1CCCC[C@@H]1O)c1ccncc1 ZINC000095996142 185060697 /nfs/dbraw/zinc/06/06/97/185060697.db2.gz STURQXDRBQOMPQ-QEJZJMRPSA-N 0 0 291.395 2.335 50 0 CEAARN CCC[C@@H]1C[C@@H](C(=O)Nc2nnc(C(C)C)[nH]2)CCO1 ZINC000096003047 185062381 /nfs/dbraw/zinc/06/23/81/185062381.db2.gz KPWVLXYMPBTMKA-WDEREUQCSA-N 0 0 280.372 2.462 50 0 CEAARN COC1(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)CCC1 ZINC000096005818 185062637 /nfs/dbraw/zinc/06/26/37/185062637.db2.gz OQWGNVNNWMXAOP-YPMHNXCESA-N 0 0 275.348 2.236 50 0 CEAARN O=C(NC[C@H]1CCOC1)c1ccc(OC2CCCC2)nc1 ZINC000096005639 185062704 /nfs/dbraw/zinc/06/27/04/185062704.db2.gz JZMCMMJHVYGLIW-GFCCVEGCSA-N 0 0 290.363 2.169 50 0 CEAARN CC[C@](C)(CO)NC(=O)c1ccc(Cl)c(F)c1 ZINC000096006268 185063137 /nfs/dbraw/zinc/06/31/37/185063137.db2.gz RMIMTZCJOMQIAI-GFCCVEGCSA-N 0 0 259.708 2.370 50 0 CEAARN FC(F)(F)COCCn1cc(-n2cccc2)cn1 ZINC000096007434 185064009 /nfs/dbraw/zinc/06/40/09/185064009.db2.gz CUMRPRQCGZPUEG-UHFFFAOYSA-N 0 0 259.231 2.253 50 0 CEAARN CCOC(=O)c1coc(NC[C@H](O)c2ccccc2F)n1 ZINC000096011513 185065320 /nfs/dbraw/zinc/06/53/20/185065320.db2.gz MGCCXHPOUJKDKU-LBPRGKRZSA-N 0 0 294.282 2.136 50 0 CEAARN CC[C@H](NCC(=O)NC1CCCC1)c1c(C)noc1C ZINC000096013929 185066295 /nfs/dbraw/zinc/06/62/95/185066295.db2.gz SPBFPFOJFFTFLH-ZDUSSCGKSA-N 0 0 279.384 2.391 50 0 CEAARN C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccco1 ZINC000096027778 185067515 /nfs/dbraw/zinc/06/75/15/185067515.db2.gz IDFRYADCHSWRQH-TXEJJXNPSA-N 0 0 250.342 2.272 50 0 CEAARN O=c1c2sccc2ncn1C[C@@H]1CCCCO1 ZINC000032573471 361743693 /nfs/dbraw/zinc/74/36/93/361743693.db2.gz QMXLOSASSFRXOJ-VIFPVBQESA-N 0 0 250.323 2.027 50 0 CEAARN CCn1ccnc1Cn1cnc2c(C)c(C)ccc2c1=O ZINC000032580840 361744054 /nfs/dbraw/zinc/74/40/54/361744054.db2.gz BCYTWHVGXCRPMG-UHFFFAOYSA-N 0 0 282.347 2.278 50 0 CEAARN CC[C@H](CO)n1cnc2sc3c(c2c1=O)CCCC3 ZINC000032598280 361745296 /nfs/dbraw/zinc/74/52/96/361745296.db2.gz YDNULASAYBRHNF-SECBINFHSA-N 0 0 278.377 2.280 50 0 CEAARN COc1cc2ncn(Cc3ccco3)c(=O)c2cc1OC ZINC000032587402 361745456 /nfs/dbraw/zinc/74/54/56/361745456.db2.gz DZWYNIKKWJYYBR-UHFFFAOYSA-N 0 0 286.287 2.055 50 0 CEAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCCC2)CC1=O ZINC000032674568 361750137 /nfs/dbraw/zinc/75/01/37/361750137.db2.gz IOFIYCXMRYLYRO-UKRRQHHQSA-N 0 0 286.375 2.219 50 0 CEAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@@H](O)C1 ZINC000032721965 361751565 /nfs/dbraw/zinc/75/15/65/361751565.db2.gz RVCLAXQQQAPQCC-OAHLLOKOSA-N 0 0 299.374 2.086 50 0 CEAARN CC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000032769410 361754881 /nfs/dbraw/zinc/75/48/81/361754881.db2.gz UFDZGDOMJJISFU-LBPRGKRZSA-N 0 0 292.354 2.156 50 0 CEAARN O=C(CC[C@H]1CCCO1)Nc1cccc2c[nH]nc21 ZINC000032816530 361758236 /nfs/dbraw/zinc/75/82/36/361758236.db2.gz QHJZJUKQSMXROD-LLVKDONJSA-N 0 0 259.309 2.461 50 0 CEAARN CC(C)[C@@H](C)NC(=O)c1cn(-c2ccccc2)nn1 ZINC000032816018 361758286 /nfs/dbraw/zinc/75/82/86/361758286.db2.gz USCSZVZBAQKIAT-LLVKDONJSA-N 0 0 258.325 2.042 50 0 CEAARN CN(C[C@H]1COc2ccccc2O1)C(=O)C(C)(C)C ZINC000032966899 361769349 /nfs/dbraw/zinc/76/93/49/361769349.db2.gz CPUZHFPLXUYPLZ-NSHDSACASA-N 0 0 263.337 2.331 50 0 CEAARN C[C@H](NC(N)=O)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000032998160 361770072 /nfs/dbraw/zinc/77/00/72/361770072.db2.gz WAZUCNOARJPEPA-NSHDSACASA-N 0 0 283.331 2.349 50 0 CEAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000033023797 361770278 /nfs/dbraw/zinc/77/02/78/361770278.db2.gz NMECHHYMILODFJ-VXGBXAGGSA-N 0 0 295.404 2.208 50 0 CEAARN Cc1noc(C)c1C(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000033056572 361771797 /nfs/dbraw/zinc/77/17/97/361771797.db2.gz FGOUUDCLUAJJTR-LLVKDONJSA-N 0 0 299.374 2.472 50 0 CEAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](C)C1 ZINC000032873659 361761503 /nfs/dbraw/zinc/76/15/03/361761503.db2.gz KJKRGBMZENTLFX-LLVKDONJSA-N 0 0 263.385 2.228 50 0 CEAARN Cc1cc(C)n(CC(=O)N2CCc3sccc3C2)n1 ZINC000032893710 361763233 /nfs/dbraw/zinc/76/32/33/361763233.db2.gz PHSAJXYHMXFMAC-UHFFFAOYSA-N 0 0 275.377 2.146 50 0 CEAARN CCc1nc(CSc2nnnn2C2CC2)cs1 ZINC000032905035 361764482 /nfs/dbraw/zinc/76/44/82/361764482.db2.gz UQWYFLUPKBGUTK-UHFFFAOYSA-N 0 0 267.383 2.319 50 0 CEAARN O=C(NCC1CC1)c1cc(Br)ccc1O ZINC000032909802 361765296 /nfs/dbraw/zinc/76/52/96/361765296.db2.gz NKAQKNHOLOJJJP-UHFFFAOYSA-N 0 0 270.126 2.295 50 0 CEAARN 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CCc1sc([C@@H](C)NC(=O)[C@H]2CC(=O)N(C)C2)cc1C ZINC000095435404 364377419 /nfs/dbraw/zinc/37/74/19/364377419.db2.gz PPNAOFGCKPGIAM-MNOVXSKESA-N 0 0 294.420 2.274 50 0 CEAARN O=C1[C@@H](Sc2cn[nH]n2)CCCN1c1ccccc1F ZINC000095448545 364382885 /nfs/dbraw/zinc/38/28/85/364382885.db2.gz CCCBORGCXOQQAG-NSHDSACASA-N 0 0 292.339 2.232 50 0 CEAARN Cc1cccc2c1N(C(=O)[C@@H]1CCn3ccnc3C1)CC2 ZINC000095447754 364382939 /nfs/dbraw/zinc/38/29/39/364382939.db2.gz HNYVOEFFLAWXTM-CQSZACIVSA-N 0 0 281.359 2.343 50 0 CEAARN COc1ccc(C2(CNC(=O)[C@@H](C)O)CCCCC2)cc1 ZINC000095451457 364383922 /nfs/dbraw/zinc/38/39/22/364383922.db2.gz XAUJELZZAJJXTN-CYBMUJFWSA-N 0 0 291.391 2.394 50 0 CEAARN Cc1nccn1CCCn1nc(C(C)(C)C)ccc1=O ZINC000095449574 364384424 /nfs/dbraw/zinc/38/44/24/364384424.db2.gz QKEMNFLAYWEWES-UHFFFAOYSA-N 0 0 274.368 2.136 50 0 CEAARN CN(C)Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)no1 ZINC000095456759 364385417 /nfs/dbraw/zinc/38/54/17/364385417.db2.gz LAOACGYENBXHEG-UHFFFAOYSA-N 0 0 285.347 2.477 50 0 CEAARN O=C(NN1CCCNC1=O)c1cccc(Cl)c1Cl ZINC000095467326 364387593 /nfs/dbraw/zinc/38/75/93/364387593.db2.gz CJFHFZITZXPVCM-UHFFFAOYSA-N 0 0 288.134 2.054 50 0 CEAARN CCC[C@@H](O)CNc1nc(C)cc(C(F)(F)F)n1 ZINC000095469201 364388193 /nfs/dbraw/zinc/38/81/93/364388193.db2.gz VNKMAUPCXDFFLE-MRVPVSSYSA-N 0 0 263.263 2.377 50 0 CEAARN CCS(=O)(=O)CC(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000096013977 364397789 /nfs/dbraw/zinc/39/77/89/364397789.db2.gz GUGHODKRZSLGQF-GFCCVEGCSA-N 0 0 295.404 2.352 50 0 CEAARN COc1cccc(Nc2nc3c(s2)c(C)nn3C)n1 ZINC000096136422 364400407 /nfs/dbraw/zinc/40/04/07/364400407.db2.gz UMLYFRRPYPDIIW-UHFFFAOYSA-N 0 0 275.337 2.485 50 0 CEAARN Cc1nc(-c2ccc(C)c(Cl)c2)n(CCO)n1 ZINC000096153127 364402029 /nfs/dbraw/zinc/40/20/29/364402029.db2.gz LCYGFUSDVJJUJX-UHFFFAOYSA-N 0 0 251.717 2.208 50 0 CEAARN Cc1ccccc1OCc1nc([C@@H]2CCOC2)no1 ZINC000096137364 364402173 /nfs/dbraw/zinc/40/21/73/364402173.db2.gz PGEWTCJZTSCQNQ-LLVKDONJSA-N 0 0 260.293 2.461 50 0 CEAARN CC1=C(c2ccccc2)[C@@H]1C(=O)N1CCc2[nH]cnc2C1 ZINC000096163469 364404791 /nfs/dbraw/zinc/40/47/91/364404791.db2.gz PZYOCPVPDAECKF-MRXNPFEDSA-N 0 0 279.343 2.398 50 0 CEAARN CN(CCCn1cccn1)C(=O)Nc1ccc(Cl)nc1 ZINC000096164531 364404915 /nfs/dbraw/zinc/40/49/15/364404915.db2.gz PYRBTMGYERMCHW-UHFFFAOYSA-N 0 0 293.758 2.486 50 0 CEAARN COc1cccc2c1OC[C@@H](Cc1cncc(N(C)C)n1)C2 ZINC000095355366 364344520 /nfs/dbraw/zinc/34/45/20/364344520.db2.gz YHUNUBWBFIMOEH-GFCCVEGCSA-N 0 0 299.374 2.345 50 0 CEAARN Cc1ccccc1OC1CN(C(=O)CCCc2cn[nH]c2)C1 ZINC000095361367 364346403 /nfs/dbraw/zinc/34/64/03/364346403.db2.gz PKXAMSBTLBBEGM-UHFFFAOYSA-N 0 0 299.374 2.331 50 0 CEAARN CCc1nnc(N2CC[C@]3(C2)CC(=O)c2ccccc2O3)o1 ZINC000095380518 364351665 /nfs/dbraw/zinc/35/16/65/364351665.db2.gz RVJZNFXEIOJHSO-MRXNPFEDSA-N 0 0 299.330 2.246 50 0 CEAARN c1csc([C@@H]2CCCN(c3ncnc4nc[nH]c43)C2)n1 ZINC000097047778 364432349 /nfs/dbraw/zinc/43/23/49/364432349.db2.gz LIMVNYPOKDIGPV-SECBINFHSA-N 0 0 286.364 2.193 50 0 CEAARN Cc1ccsc1COC(=O)c1ccc(=O)n(C)c1 ZINC000097047014 364432494 /nfs/dbraw/zinc/43/24/94/364432494.db2.gz RKJXSUJUSQCQNP-UHFFFAOYSA-N 0 0 263.318 2.112 50 0 CEAARN Cc1nn(C)c2ncc(C(=O)OCc3cncs3)cc12 ZINC000097050417 364435674 /nfs/dbraw/zinc/43/56/74/364435674.db2.gz MTHPBRDMCJIUIF-UHFFFAOYSA-N 0 0 288.332 2.090 50 0 CEAARN Cc1cc(C)cc([C@@H](O)Cn2cnc3cnccc3c2=O)c1 ZINC000097080156 364440679 /nfs/dbraw/zinc/44/06/79/364440679.db2.gz DYLPYWTXAHISKU-INIZCTEOSA-N 0 0 295.342 2.142 50 0 CEAARN OCCCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000097082933 364442082 /nfs/dbraw/zinc/44/20/82/364442082.db2.gz OFNUZQLZQGBIJC-CYBMUJFWSA-N 0 0 289.297 2.461 50 0 CEAARN CC[C@@]1(C)Oc2ccc(NC(=O)Cn3cccn3)cc2O1 ZINC000097104383 364451210 /nfs/dbraw/zinc/45/12/10/364451210.db2.gz XSNSOTNQBQVUFE-HNNXBMFYSA-N 0 0 287.319 2.419 50 0 CEAARN CN(C)c1cccc(CNC(=O)Nc2ccncc2F)n1 ZINC000097135879 364459488 /nfs/dbraw/zinc/45/94/88/364459488.db2.gz OGFOKTNVSYCMEV-UHFFFAOYSA-N 0 0 289.314 2.003 50 0 CEAARN C[C@H]1OCC[C@H]1C(=O)NCCCNc1cccc(F)c1 ZINC000097108099 364452956 /nfs/dbraw/zinc/45/29/56/364452956.db2.gz JMFBUVYERCMINH-BXUZGUMPSA-N 0 0 280.343 2.169 50 0 CEAARN Cc1nccc(NC(=O)Nc2cnn(C)c2)c1Cl ZINC000097109170 364454108 /nfs/dbraw/zinc/45/41/08/364454108.db2.gz KTPBACFMLNOMAL-UHFFFAOYSA-N 0 0 265.704 2.421 50 0 CEAARN O=C(NC[C@@H](O)c1ccc(F)cc1)Nc1ccncc1F ZINC000097135638 364459940 /nfs/dbraw/zinc/45/99/40/364459940.db2.gz BFRKMADMWWWOLD-CYBMUJFWSA-N 0 0 293.273 2.215 50 0 CEAARN Nc1nnc(Sc2nonc2-c2ccccc2)s1 ZINC000096191861 364409097 /nfs/dbraw/zinc/40/90/97/364409097.db2.gz YTTJAANHWUOXBI-UHFFFAOYSA-N 0 0 277.334 2.322 50 0 CEAARN C[C@H]1COc2ccccc2N1CC(=O)NCc1ccco1 ZINC000096443550 364422943 /nfs/dbraw/zinc/42/29/43/364422943.db2.gz DHKGPHIHVZJUCN-LBPRGKRZSA-N 0 0 286.331 2.183 50 0 CEAARN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccn[nH]1 ZINC000096477676 364423703 /nfs/dbraw/zinc/42/37/03/364423703.db2.gz IFKMAXDKKRBBIB-NSHDSACASA-N 0 0 283.253 2.313 50 0 CEAARN Cc1cc(NC(=O)[C@@H](O)Cc2ccccc2)cc2n[nH]cc21 ZINC000356638307 370781198 /nfs/dbraw/zinc/78/11/98/370781198.db2.gz UWLBLGACNRVBRT-INIZCTEOSA-N 0 0 295.342 2.413 50 0 CEAARN COC(=O)[C@H](C)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000097115857 364458084 /nfs/dbraw/zinc/45/80/84/364458084.db2.gz FICRVLGRNWDIFK-SNVBAGLBSA-N 0 0 261.321 2.387 50 0 CEAARN COC(=O)CCCC(=O)N1CCC[C@H]1c1cccc(C)n1 ZINC000097142001 364463184 /nfs/dbraw/zinc/46/31/84/364463184.db2.gz VGDUTTGSYWVKMV-AWEZNQCLSA-N 0 0 290.363 2.397 50 0 CEAARN CCc1[nH]nc(C(=O)NCCCc2ccc(O)cc2)c1C ZINC000097499563 364507309 /nfs/dbraw/zinc/50/73/09/364507309.db2.gz LCPGAWMTGWAJFY-UHFFFAOYSA-N 0 0 287.363 2.349 50 0 CEAARN C[C@](O)(CNC(=O)c1cscn1)c1ccccc1Cl ZINC000097143404 364464100 /nfs/dbraw/zinc/46/41/00/364464100.db2.gz CPMKNIFGTBVKFM-ZDUSSCGKSA-N 0 0 296.779 2.434 50 0 CEAARN Cn1nccc1C(=O)OC[C@H]1CCOc2ccccc21 ZINC000097143369 364464449 /nfs/dbraw/zinc/46/44/49/364464449.db2.gz BPXOIBCYZBNXNL-LLVKDONJSA-N 0 0 272.304 2.143 50 0 CEAARN CSCCN(C)S(=O)(=O)c1c(F)cccc1Cl ZINC000097147105 364466025 /nfs/dbraw/zinc/46/60/25/364466025.db2.gz SLJXLQVAIIUWTC-UHFFFAOYSA-N 0 0 297.804 2.463 50 0 CEAARN CCCc1oncc1C(=O)N1CCN[C@@H](c2ccccc2)C1 ZINC000097514398 364508099 /nfs/dbraw/zinc/50/80/99/364508099.db2.gz ZKTZPIZDNFHSSW-OAHLLOKOSA-N 0 0 299.374 2.414 50 0 CEAARN COc1ccc(CCN2CCc3ncnc(OC)c3C2)cc1 ZINC000097202474 364477912 /nfs/dbraw/zinc/47/79/12/364477912.db2.gz PNYYATWZTDMGSC-UHFFFAOYSA-N 0 0 299.374 2.095 50 0 CEAARN O[C@@H](CSc1nnnn1C1CCCCC1)C(F)(F)F ZINC000158030277 366850955 /nfs/dbraw/zinc/85/09/55/366850955.db2.gz LVARRARIPJLJSS-QMMMGPOBSA-N 0 0 296.318 2.194 50 0 CEAARN Cc1csc([C@H](NCc2nnc(C)o2)C2CC2)n1 ZINC000097235001 364484596 /nfs/dbraw/zinc/48/45/96/364484596.db2.gz SYRWZAPRZQBDLD-LLVKDONJSA-N 0 0 264.354 2.384 50 0 CEAARN CCc1cc(Nc2ccc3c(c2)N(C)C(=O)CO3)nc(C)n1 ZINC000241121829 370781924 /nfs/dbraw/zinc/78/19/24/370781924.db2.gz JEDWNTMLJPXXGT-UHFFFAOYSA-N 0 0 298.346 2.446 50 0 CEAARN COC1(CNC(=O)C[C@H](O)c2ccc(Cl)cc2)CCC1 ZINC000097236511 364485805 /nfs/dbraw/zinc/48/58/05/364485805.db2.gz LUDANMVTKGNDHU-ZDUSSCGKSA-N 0 0 297.782 2.449 50 0 CEAARN Cc1cc2c(cc1NC(=O)c1ccncc1)OCO2 ZINC000097237581 364486449 /nfs/dbraw/zinc/48/64/49/364486449.db2.gz WPKAJKHNAHXQTF-UHFFFAOYSA-N 0 0 256.261 2.371 50 0 CEAARN COC[C@H]1CCCCN1Cc1cnc(SC)nc1 ZINC000097288870 364489970 /nfs/dbraw/zinc/48/99/70/364489970.db2.gz JFBFPIXWYFDPPY-GFCCVEGCSA-N 0 0 267.398 2.199 50 0 CEAARN Cc1ccc(NC(=O)NC[C@@H]2CCCC[C@H]2O)nc1 ZINC000097372769 364493811 /nfs/dbraw/zinc/49/38/11/364493811.db2.gz XGRWUZYFSCHJPT-NWDGAFQWSA-N 0 0 263.341 2.063 50 0 CEAARN CC(C)N(Cc1nnc(C2CC2)[nH]1)C[C@@H]1CCCCO1 ZINC000097373764 364494348 /nfs/dbraw/zinc/49/43/48/364494348.db2.gz HDLYPHGASLGGAD-ZDUSSCGKSA-N 0 0 278.400 2.462 50 0 CEAARN C[C@H](c1ccncc1)N(C)Cc1cnc2cnccn12 ZINC000097375291 364495303 /nfs/dbraw/zinc/49/53/03/364495303.db2.gz HRXJGQXRYLCIAX-GFCCVEGCSA-N 0 0 267.336 2.317 50 0 CEAARN C[C@H](NCC(F)(F)F)c1cn(-c2ccccc2)nn1 ZINC000097374661 364495628 /nfs/dbraw/zinc/49/56/28/364495628.db2.gz RNCKYGHUINDCJI-VIFPVBQESA-N 0 0 270.258 2.480 50 0 CEAARN COCc1ccc(C(=O)NCc2ncccc2C)o1 ZINC000097474961 364506031 /nfs/dbraw/zinc/50/60/31/364506031.db2.gz MLXPNMYTXQVSFP-UHFFFAOYSA-N 0 0 260.293 2.059 50 0 CEAARN CCn1cc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cn1 ZINC000097139878 364461703 /nfs/dbraw/zinc/46/17/03/364461703.db2.gz DMYNPGIOKLCZHH-VIFPVBQESA-N 0 0 293.758 2.391 50 0 CEAARN CC(=O)N[C@@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 ZINC000098018558 364522048 /nfs/dbraw/zinc/52/20/48/364522048.db2.gz ADKDQAWXQCXYJH-CQSZACIVSA-N 0 0 287.338 2.479 50 0 CEAARN COc1ccccc1/C=C\C(=O)OCc1nncn1C1CC1 ZINC000098053208 364526567 /nfs/dbraw/zinc/52/65/67/364526567.db2.gz GNNHSJZDSYBCFV-TWGQIWQCSA-N 0 0 299.330 2.378 50 0 CEAARN CCn1c(=O)nc2ccccc2c1NC(=O)c1cccs1 ZINC000100198209 364541639 /nfs/dbraw/zinc/54/16/39/364541639.db2.gz JMMBEVHWHAZHIL-LGMDPLHJSA-N 0 0 299.355 2.152 50 0 CEAARN Cc1ccc(N2C(=O)C[C@H](NNc3ccccc3)C2=O)cc1 ZINC000101127507 364554776 /nfs/dbraw/zinc/55/47/76/364554776.db2.gz NFPFMDYMIQZNET-HNNXBMFYSA-N 0 0 295.342 2.244 50 0 CEAARN CC(=O)Oc1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000101316968 364556912 /nfs/dbraw/zinc/55/69/12/364556912.db2.gz YOZBXOXWNFKLCW-OKILXGFUSA-N 0 0 287.315 2.292 50 0 CEAARN CCCO[C@H](C)CNC(=O)c1oc(CC)nc1C ZINC000097600976 364511514 /nfs/dbraw/zinc/51/15/14/364511514.db2.gz RZLUAWCVDGBKEO-SECBINFHSA-N 0 0 254.330 2.090 50 0 CEAARN O=C(NCCCn1ccnc1)c1ccc(-c2cc[nH]n2)cc1 ZINC000097636677 364512929 /nfs/dbraw/zinc/51/29/29/364512929.db2.gz QZQZFWAEFCHKDN-UHFFFAOYSA-N 0 0 295.346 2.093 50 0 CEAARN O=C(c1ccnc(-c2cn[nH]c2)c1)N1CCCCC1 ZINC000097602623 364512988 /nfs/dbraw/zinc/51/29/88/364512988.db2.gz JKXLVRKRSBEDGK-UHFFFAOYSA-N 0 0 256.309 2.098 50 0 CEAARN O=C(CSC(=S)N1CCCC1)NC1CCCC1 ZINC000097603853 364513329 /nfs/dbraw/zinc/51/33/29/364513329.db2.gz AODQNYRXAHLQPQ-UHFFFAOYSA-N 0 0 272.439 2.159 50 0 CEAARN COC(=O)CCNC(=O)/C=C\c1ccc(F)c(Cl)c1 ZINC000097674665 364513838 /nfs/dbraw/zinc/51/38/38/364513838.db2.gz VFEXXRSHQHMCPF-HYXAFXHYSA-N 0 0 285.702 2.172 50 0 CEAARN Cc1cc(Nc2ccc(Cl)cc2)n2ncnc2n1 ZINC000102491792 364596500 /nfs/dbraw/zinc/59/65/00/364596500.db2.gz LMGGMAYTKWRHSH-GZTJUZNOSA-N 0 0 259.700 2.252 50 0 CEAARN COCc1cc(=O)n2nc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC000101735311 364572418 /nfs/dbraw/zinc/57/24/18/364572418.db2.gz MSWHFYCCXUNKOC-UHFFFAOYSA-N 0 0 289.722 2.489 50 0 CEAARN CCc1ccc(NC(=O)N2C[C@H](CO)O[C@@H](C)C2)cc1F ZINC000191562282 189599351 /nfs/dbraw/zinc/59/93/51/189599351.db2.gz BNTIYSNHFHIBSP-GXFFZTMASA-N 0 0 296.342 2.002 50 0 CEAARN C[C@H](Sc1cccc[n+]1[O-])C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000103908461 364669380 /nfs/dbraw/zinc/66/93/80/364669380.db2.gz BNZVOKGKAZGXFE-RWMBFGLXSA-N 0 0 294.420 2.496 50 0 CEAARN CC[C@H](Nc1ccc2oc(N(C)C)nc2c1)C(=O)OC ZINC000192858862 189630909 /nfs/dbraw/zinc/63/09/09/189630909.db2.gz PYGZBMBIKAHDQN-JTQLQIEISA-N 0 0 277.324 2.257 50 0 CEAARN O=c1c2sccc2ccn1Cc1noc(C2CC2)n1 ZINC000193782870 189650056 /nfs/dbraw/zinc/65/00/56/189650056.db2.gz UIKBVASXJGVIQH-UHFFFAOYSA-N 0 0 273.317 2.372 50 0 CEAARN Cc1ccnc(NC(=O)c2occc2Br)n1 ZINC000194670152 189665843 /nfs/dbraw/zinc/66/58/43/189665843.db2.gz LMMZFEJUYGLMRN-UHFFFAOYSA-N 0 0 282.097 2.393 50 0 CEAARN CCCCN(C)S(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195542895 189678018 /nfs/dbraw/zinc/67/80/18/189678018.db2.gz FXTKUODZNCSPGM-FRRDWIJNSA-N 0 0 276.446 2.377 50 0 CEAARN O=C(C[C@H]1NC(=O)c2ccccc21)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000215379600 189693760 /nfs/dbraw/zinc/69/37/60/189693760.db2.gz LIXXFSTUZGGTBV-DVOMOZLQSA-N 0 0 296.370 2.286 50 0 CEAARN COCCn1nc(C)c(CNc2nc(C)cnc2C)c1C ZINC000195563752 189680531 /nfs/dbraw/zinc/68/05/31/189680531.db2.gz SOFCZYAEDYFBJC-UHFFFAOYSA-N 0 0 289.383 2.165 50 0 CEAARN COc1ccc(C(=O)Nc2cnc3cc(C)nn3c2)cc1 ZINC000206735729 189685199 /nfs/dbraw/zinc/68/51/99/189685199.db2.gz DUILBENHNPFLMN-UHFFFAOYSA-N 0 0 282.303 2.299 50 0 CEAARN CN(C)c1ccnc(CNC(=O)CCCc2ccccc2)n1 ZINC000211098995 189686859 /nfs/dbraw/zinc/68/68/59/189686859.db2.gz NPSWCCCLNYVZJL-UHFFFAOYSA-N 0 0 298.390 2.182 50 0 CEAARN Cc1ncsc1CCN(C)C(=O)Cc1ccncc1 ZINC000216452602 189704174 /nfs/dbraw/zinc/70/41/74/189704174.db2.gz KWDORABALZRDEL-UHFFFAOYSA-N 0 0 275.377 2.090 50 0 CEAARN COCCOC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000116827426 365071034 /nfs/dbraw/zinc/07/10/34/365071034.db2.gz JPLSEQZTKWZQPZ-UHFFFAOYSA-N 0 0 291.391 2.273 50 0 CEAARN O=C(CCc1cccnc1)NCc1nc2cc(F)ccc2[nH]1 ZINC000215979151 189699024 /nfs/dbraw/zinc/69/90/24/189699024.db2.gz YESULKQFGKOMBB-UHFFFAOYSA-N 0 0 298.321 2.346 50 0 CEAARN Cc1nc(C(C)C)sc1CNC(=O)c1c[nH]c(=O)cn1 ZINC000219455937 189720231 /nfs/dbraw/zinc/72/02/31/189720231.db2.gz LJPMITDFMNWTTC-UHFFFAOYSA-N 0 0 292.364 2.001 50 0 CEAARN CCOC1(C(=O)Nc2cc(C)c(C)nn2)CCCC1 ZINC000242106209 370785989 /nfs/dbraw/zinc/78/59/89/370785989.db2.gz WHWVPYQAYFQTOL-UHFFFAOYSA-N 0 0 263.341 2.381 50 0 CEAARN Cc1c[nH]cc1C(=O)N1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000335904574 365141801 /nfs/dbraw/zinc/14/18/01/365141801.db2.gz HMXBWHVTBCDWJM-GFCCVEGCSA-N 0 0 273.340 2.117 50 0 CEAARN CCc1nnc(CN(C)CCn2ccc3ccccc32)[nH]1 ZINC000244795811 370800083 /nfs/dbraw/zinc/80/00/83/370800083.db2.gz ROCRIOVBEVUHES-UHFFFAOYSA-N 0 0 283.379 2.454 50 0 CEAARN CNc1nc(C)cc(C[C@@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000244874563 370802689 /nfs/dbraw/zinc/80/26/89/370802689.db2.gz XDFNGHULDMEDBS-CYBMUJFWSA-N 0 0 296.374 2.422 50 0 CEAARN C[C@H](c1ccncn1)N(C)CC(=O)Nc1ccc(F)cc1 ZINC000244900204 370804032 /nfs/dbraw/zinc/80/40/32/370804032.db2.gz ZXZSKVSTUIFQHT-LLVKDONJSA-N 0 0 288.326 2.247 50 0 CEAARN O=C(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1c(F)cccc1F ZINC000244998659 370804484 /nfs/dbraw/zinc/80/44/84/370804484.db2.gz KOGVGZIGHRQZPX-WQAKAFBOSA-N 0 0 297.301 2.031 50 0 CEAARN Cn1cc(CC(=O)NCCCc2cnoc2)c2ccccc21 ZINC000244975267 370804610 /nfs/dbraw/zinc/80/46/10/370804610.db2.gz IIVVIPDHHSDWOD-UHFFFAOYSA-N 0 0 297.358 2.458 50 0 CEAARN CN(C)c1cc(CC[C@@H]2COc3ccccc3O2)ncn1 ZINC000220245038 189722509 /nfs/dbraw/zinc/72/25/09/189722509.db2.gz VCRHXDBAPXIFGS-CYBMUJFWSA-N 0 0 285.347 2.315 50 0 CEAARN NC(=O)CCN(Cc1nccn1C1CC1)Cc1ccccc1 ZINC000244712693 370796538 /nfs/dbraw/zinc/79/65/38/370796538.db2.gz KUNDJJVKKUVYKP-UHFFFAOYSA-N 0 0 298.390 2.096 50 0 CEAARN C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@H]1CSC(=O)N1)c1ccccc1 ZINC000245338999 370808629 /nfs/dbraw/zinc/80/86/29/370808629.db2.gz PWOACXUBRBGNCR-MGAJPHDKSA-N 0 0 290.388 2.325 50 0 CEAARN O=C(C1CC1)N1CCC(Nc2ncccc2F)CC1 ZINC000336158533 365491668 /nfs/dbraw/zinc/49/16/68/365491668.db2.gz XJGUWOPQZLRMIB-UHFFFAOYSA-N 0 0 263.316 2.034 50 0 CEAARN CC[C@H](OC)C(=O)NC1(c2cc(F)cc(F)c2)CC1 ZINC000584885083 367176431 /nfs/dbraw/zinc/17/64/31/367176431.db2.gz WGAJNRROVJJUIM-LBPRGKRZSA-N 0 0 269.291 2.495 50 0 CEAARN O=C(Nc1cccc(N2CCCC2)c1)c1cc(CO)on1 ZINC000585135313 367182694 /nfs/dbraw/zinc/18/26/94/367182694.db2.gz BDRVRVSRSMLWCP-UHFFFAOYSA-N 0 0 287.319 2.019 50 0 CEAARN CCn1cnnc1CNc1ccnc(Cc2ccccc2)n1 ZINC000165736664 367312119 /nfs/dbraw/zinc/31/21/19/367312119.db2.gz CGIWRJGGZQEGLL-UHFFFAOYSA-N 0 0 294.362 2.291 50 0 CEAARN Cc1nc(C[C@@H]2CCCN(c3ccccn3)C2)no1 ZINC000170592920 367382336 /nfs/dbraw/zinc/38/23/36/367382336.db2.gz JKPCQAVIYPSSFN-LBPRGKRZSA-N 0 0 258.325 2.232 50 0 CEAARN CCCN1CCN(C(=O)COC)c2cc(F)ccc21 ZINC000170608970 367387391 /nfs/dbraw/zinc/38/73/91/367387391.db2.gz ADZPMRQMFPVQOR-UHFFFAOYSA-N 0 0 266.316 2.035 50 0 CEAARN c1ccc([C@@H]2NCCO[C@H]2COc2ccccn2)cc1 ZINC000169676583 367370190 /nfs/dbraw/zinc/37/01/90/367370190.db2.gz LQJXKVUUZBHZKI-HOCLYGCPSA-N 0 0 270.332 2.190 50 0 CEAARN CCn1cnnc1CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000170073249 367375611 /nfs/dbraw/zinc/37/56/11/367375611.db2.gz RGKZCGUFIIEJBY-CYBMUJFWSA-N 0 0 290.342 2.441 50 0 CEAARN CC(C)C[N@@H+]1CCO[C@@H](CNc2ccnc(C(C)C)n2)C1 ZINC000171811833 367619548 /nfs/dbraw/zinc/61/95/48/367619548.db2.gz WUBPQQNHPKVUPC-AWEZNQCLSA-N 0 0 292.427 2.369 50 0 CEAARN O=S(=O)(C[C@H]1CCCO1)Nc1cccc(Cl)c1F ZINC000171806029 367619966 /nfs/dbraw/zinc/61/99/66/367619966.db2.gz NGMXGMWAIWBVMC-MRVPVSSYSA-N 0 0 293.747 2.400 50 0 CEAARN OC[C@H]1CN(c2ncc(F)cn2)CC[C@H]1c1ccccc1 ZINC000343286760 367744374 /nfs/dbraw/zinc/74/43/74/367744374.db2.gz NAYFHQLVNWSPKW-HIFRSBDPSA-N 0 0 287.338 2.218 50 0 CEAARN O=C(c1ccsc1)N1CCC[C@H](Oc2cnccn2)C1 ZINC000225471640 189752996 /nfs/dbraw/zinc/75/29/96/189752996.db2.gz RRWXJAJVIMNRSD-LBPRGKRZSA-N 0 0 289.360 2.222 50 0 CEAARN C[C@@H](CO)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000172894955 367838393 /nfs/dbraw/zinc/83/83/93/367838393.db2.gz KJJQAJZEDLLRBJ-QMMMGPOBSA-N 0 0 282.283 2.001 50 0 CEAARN Cc1nc(CCN(C)C(=O)N[C@@H](C)CCC(C)C)no1 ZINC000343797606 368009114 /nfs/dbraw/zinc/00/91/14/368009114.db2.gz DQOINOBKQQFLJC-NSHDSACASA-N 0 0 282.388 2.387 50 0 CEAARN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Cc1ccn(C)n1 ZINC000181816384 368497827 /nfs/dbraw/zinc/49/78/27/368497827.db2.gz XEFDOEQEAHWMLW-SJKOYZFVSA-N 0 0 283.375 2.402 50 0 CEAARN CC(=O)c1cc(Br)cc(F)c1OCCO ZINC000182352983 368556442 /nfs/dbraw/zinc/55/64/42/368556442.db2.gz ZBJIMJMIOFJPEZ-UHFFFAOYSA-N 0 0 277.089 2.162 50 0 CEAARN C[C@]12OC(=O)C(Cl)(Cl)[C@@H]1c1ccccc1C2=O ZINC000000217132 291447198 /nfs/dbraw/zinc/44/71/98/291447198.db2.gz KPXCKOURCOENFH-KCJUWKMLSA-N 0 0 271.099 2.456 50 0 CEAARN Cc1cc(N2CCNC2=O)ccc1NC(=O)c1cccnc1 ZINC000225658651 189760875 /nfs/dbraw/zinc/76/08/75/189760875.db2.gz VGWIRYQCJOZSMT-UHFFFAOYSA-N 0 0 296.330 2.172 50 0 CEAARN O=C(Nc1ccon1)c1ccnc(O[C@H]2CCSC2)c1 ZINC000225721593 189763373 /nfs/dbraw/zinc/76/33/73/189763373.db2.gz PNZYUVUBHHXBFH-JTQLQIEISA-N 0 0 291.332 2.206 50 0 CEAARN Cc1oncc1C(=O)N(C)C[C@H]1Cc2ccccc2CO1 ZINC000225789603 189764619 /nfs/dbraw/zinc/76/46/19/189764619.db2.gz JUCPXFHOSUSXJK-CQSZACIVSA-N 0 0 286.331 2.197 50 0 CEAARN CC(C)n1cc(S(=O)(=O)N(C)C[C@@H]2CC=CCC2)cn1 ZINC000330808518 203259758 /nfs/dbraw/zinc/25/97/58/203259758.db2.gz APMIIUFXBMQODC-CYBMUJFWSA-N 0 0 297.424 2.441 50 0 CEAARN Cc1csc([C@@H](NS(=O)(=O)c2ccco2)C2CC2)n1 ZINC000188724175 369401300 /nfs/dbraw/zinc/40/13/00/369401300.db2.gz GYFDCFKNQQOKBM-NSHDSACASA-N 0 0 298.389 2.474 50 0 CEAARN Cc1occc1[S@](=O)CC(=O)N1CCc2ccccc21 ZINC000189629169 369549087 /nfs/dbraw/zinc/54/90/87/369549087.db2.gz IZFBHXVLONSVOT-HXUWFJFHSA-N 0 0 289.356 2.285 50 0 CEAARN COC(=O)[C@@H](NCc1cncn1C)c1ccc(C)c(C)c1 ZINC000189636289 369550940 /nfs/dbraw/zinc/55/09/40/369550940.db2.gz MWUFDXQXLSNPHB-HNNXBMFYSA-N 0 0 287.363 2.041 50 0 CEAARN COC(=O)[C@H](NCc1cnn(C)c1)c1ccc(C)c(C)c1 ZINC000189648117 369552321 /nfs/dbraw/zinc/55/23/21/369552321.db2.gz ZMJRNVGVHHZOKF-OAHLLOKOSA-N 0 0 287.363 2.041 50 0 CEAARN CCN(CC(F)F)S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190860214 369656505 /nfs/dbraw/zinc/65/65/05/369656505.db2.gz TZHLISDWTLCLCJ-UHFFFAOYSA-N 0 0 297.298 2.110 50 0 CEAARN Cn1cnc(-c2ccc(NCc3cc[nH]c3)cc2)n1 ZINC000190878425 369657742 /nfs/dbraw/zinc/65/77/42/369657742.db2.gz MYBRWIZQDHDXCU-UHFFFAOYSA-N 0 0 253.309 2.422 50 0 CEAARN Cc1ccc(-n2cccn2)cc1NC(=O)c1ccon1 ZINC000191453939 369715249 /nfs/dbraw/zinc/71/52/49/369715249.db2.gz BNCZWZODWIZMOM-UHFFFAOYSA-N 0 0 268.276 2.421 50 0 CEAARN CCc1nnc(C2CCN(C(=O)c3ccoc3C)CC2)[nH]1 ZINC000191584704 369724423 /nfs/dbraw/zinc/72/44/23/369724423.db2.gz CMAGPWQOIAUEMX-UHFFFAOYSA-N 0 0 288.351 2.288 50 0 CEAARN O=C(C[C@@H]1CCCO1)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192070917 369771675 /nfs/dbraw/zinc/77/16/75/369771675.db2.gz BLPWABQAXUDRKE-CABCVRRESA-N 0 0 275.348 2.378 50 0 CEAARN C[C@@H]1COCC[C@H]1Nc1ccc(NC(=O)C2CC2)nc1 ZINC000192690875 369842772 /nfs/dbraw/zinc/84/27/72/369842772.db2.gz LVNKUKSPLUPDFS-ZWNOBZJWSA-N 0 0 275.352 2.267 50 0 CEAARN CCn1cc(OCCOc2cccc(OC)c2)cn1 ZINC000193555507 369955039 /nfs/dbraw/zinc/95/50/39/369955039.db2.gz XYABQEZHUWJAHS-UHFFFAOYSA-N 0 0 262.309 2.369 50 0 CEAARN Cc1nccc(CNC(=O)N[C@@H]2CCCc3occc32)n1 ZINC000193396213 369938812 /nfs/dbraw/zinc/93/88/12/369938812.db2.gz UWDBBBQNQYUVOE-CYBMUJFWSA-N 0 0 286.335 2.255 50 0 CEAARN COC(=O)CC1(NC(=O)Cc2ccsc2)CCCC1 ZINC000193892593 369990089 /nfs/dbraw/zinc/99/00/89/369990089.db2.gz AKPYAVSTJJHGBT-UHFFFAOYSA-N 0 0 281.377 2.283 50 0 CEAARN COc1ccc(Cl)c(COc2coc(CO)cc2=O)c1 ZINC000194647563 370060797 /nfs/dbraw/zinc/06/07/97/370060797.db2.gz QRYPJYRCORHIIT-UHFFFAOYSA-N 0 0 296.706 2.373 50 0 CEAARN CCc1cc(=O)[nH]c(SCc2nc(C(C)C)no2)n1 ZINC000195070121 370102317 /nfs/dbraw/zinc/10/23/17/370102317.db2.gz GFRPLTGGHYEOND-UHFFFAOYSA-N 0 0 280.353 2.131 50 0 CEAARN CCc1nc(C)sc1C(=O)NCc1cnc(C)cn1 ZINC000215258954 370174595 /nfs/dbraw/zinc/17/45/95/370174595.db2.gz NXSWZZOLZYESGG-UHFFFAOYSA-N 0 0 276.365 2.042 50 0 CEAARN O=C([C@@H]1CCc2ccccc21)N1CCC2(CCO2)CC1 ZINC000215709724 370179574 /nfs/dbraw/zinc/17/95/74/370179574.db2.gz LPVMAJNDMJMIOZ-OAHLLOKOSA-N 0 0 271.360 2.498 50 0 CEAARN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1csc(C(C)C)n1 ZINC000195530284 370137467 /nfs/dbraw/zinc/13/74/67/370137467.db2.gz ABZPWRHXXLTEGH-LPEHRKFASA-N 0 0 296.392 2.253 50 0 CEAARN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000195544936 370139521 /nfs/dbraw/zinc/13/95/21/370139521.db2.gz ZUCIDOMKSRYUPN-VXGBXAGGSA-N 0 0 295.383 2.101 50 0 CEAARN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000195544938 370139832 /nfs/dbraw/zinc/13/98/32/370139832.db2.gz ZUCIDOMKSRYUPN-RYUDHWBXSA-N 0 0 295.383 2.101 50 0 CEAARN Cc1cc(Cl)ccc1C(=O)N[C@H](C)[C@@H](C)CO ZINC000195546191 370139854 /nfs/dbraw/zinc/13/98/54/370139854.db2.gz FXGDKBCAOSFSGG-VHSXEESVSA-N 0 0 255.745 2.395 50 0 CEAARN CCn1nccc1CNc1ccccc1C[S@@](C)=O ZINC000195563548 370142469 /nfs/dbraw/zinc/14/24/69/370142469.db2.gz BVIBHBRCYMMWCE-LJQANCHMSA-N 0 0 277.393 2.394 50 0 CEAARN CO[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000219059914 370217767 /nfs/dbraw/zinc/21/77/67/370217767.db2.gz IYEQCOLOQBMWPM-SECBINFHSA-N 0 0 257.692 2.340 50 0 CEAARN CCc1ccc(C(=O)NCCC[C@H]2CCOC2)[nH]1 ZINC000219342683 370223839 /nfs/dbraw/zinc/22/38/39/370223839.db2.gz GWYVLMBMLBZGCW-NSHDSACASA-N 0 0 250.342 2.124 50 0 CEAARN 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/nfs/dbraw/zinc/58/29/83/362582983.db2.gz BBKCXNOYOVRFCR-UHFFFAOYSA-N 0 0 273.288 2.408 50 0 CEAARN C[C@@H](O)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000097107709 185534737 /nfs/dbraw/zinc/53/47/37/185534737.db2.gz OTZMYVKAUKAJRB-MLUIRONXSA-N 0 0 283.196 2.065 50 0 CEAARN COc1cccc2c1OC(Nc1ccccc1)=C(C(N)=O)C2 ZINC000057523615 362582947 /nfs/dbraw/zinc/58/29/47/362582947.db2.gz BBKBTGKYELZCDS-UHFFFAOYSA-N 0 0 296.326 2.439 50 0 CEAARN CCSC[C@@H](C)N(C)C(=O)c1ccc2nnn(C)c2c1 ZINC000097110550 185536147 /nfs/dbraw/zinc/53/61/47/185536147.db2.gz DZJXMHLUQSMDDW-SNVBAGLBSA-N 0 0 292.408 2.182 50 0 CEAARN COCCNC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000057561387 362586684 /nfs/dbraw/zinc/58/66/84/362586684.db2.gz NFBWNSKAQGJNLW-UHFFFAOYSA-N 0 0 297.152 2.307 50 0 CEAARN Cc1cc(Cl)ccc1NC(=O)[C@H](C)n1cncn1 ZINC000057563119 362586825 /nfs/dbraw/zinc/58/68/25/362586825.db2.gz WQHYMCOBQAYJEA-VIFPVBQESA-N 0 0 264.716 2.440 50 0 CEAARN Nc1nc2nc[nH]c2c(N2CC[C@H](Cc3ccccc3)C2)n1 ZINC000097115353 185539775 /nfs/dbraw/zinc/53/97/75/185539775.db2.gz BRDCNKMNXUQTBW-GFCCVEGCSA-N 0 0 294.362 2.004 50 0 CEAARN COC(=O)CNc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000058147473 362609532 /nfs/dbraw/zinc/60/95/32/362609532.db2.gz IXEBKWWUUASQCF-UHFFFAOYSA-N 0 0 290.363 2.334 50 0 CEAARN CC(C)CO[C@H](C)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000058165930 362609711 /nfs/dbraw/zinc/60/97/11/362609711.db2.gz LBDCQJRLZXFVHQ-GFCCVEGCSA-N 0 0 288.351 2.267 50 0 CEAARN Cc1c2ccccc2oc1C(=O)NN1CCCCC1=O ZINC000058163523 362609837 /nfs/dbraw/zinc/60/98/37/362609837.db2.gz NWXNUUWSJOLPDC-UHFFFAOYSA-N 0 0 272.304 2.399 50 0 CEAARN CS[C@@H](C)C(=O)N[C@H](Cn1ccnc1)C(C)(C)C ZINC000058196928 362612303 /nfs/dbraw/zinc/61/23/03/362612303.db2.gz JQSXADBDBUNSBI-WDEREUQCSA-N 0 0 269.414 2.166 50 0 CEAARN CCc1nnc(S[C@@H](C)C(=O)N2CCC(C)CC2)n1C ZINC000058266688 362616700 /nfs/dbraw/zinc/61/67/00/362616700.db2.gz QKVCYZXJTYLHSV-NSHDSACASA-N 0 0 296.440 2.117 50 0 CEAARN CC(C)c1cc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n[nH]1 ZINC000058282034 362618323 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/nfs/dbraw/zinc/53/08/17/539530817.db2.gz FGXLOVKNURDHNH-UHFFFAOYSA-N 0 0 295.360 2.113 50 0 CEAARN CCCCS[C@@H](C)C(=O)NC[C@H](O)CC(C)C ZINC000084746808 539526469 /nfs/dbraw/zinc/52/64/69/539526469.db2.gz QUKSCYANYIWATN-NWDGAFQWSA-N 0 0 261.431 2.431 50 0 CEAARN C[C@H]1CN=C(N2CCN(c3ccc(Cl)cn3)CC2)S1 ZINC000096453739 136520524 /nfs/dbraw/zinc/52/05/24/136520524.db2.gz OWRWXHYBJGPSQN-JTQLQIEISA-N 0 0 296.827 2.348 50 0 CEAARN CCc1ccc(C(=O)N2CCOc3ncccc32)o1 ZINC000098018408 136523334 /nfs/dbraw/zinc/52/33/34/136523334.db2.gz SKOYGXRDBGXSFM-UHFFFAOYSA-N 0 0 258.277 2.276 50 0 CEAARN Cc1ccc2ncc(-c3ccc(N(C)CCO)nn3)cc2c1 ZINC000097696143 185653365 /nfs/dbraw/zinc/65/33/65/185653365.db2.gz WPDAOCULJGNUSQ-UHFFFAOYSA-N 0 0 294.358 2.429 50 0 CEAARN C[C@@H](Cn1ccnc1)NC(=O)N1c2ccccc2C[C@@H]1C ZINC000060857443 362671351 /nfs/dbraw/zinc/67/13/51/362671351.db2.gz GLVGXPHWQGFOPJ-STQMWFEESA-N 0 0 284.363 2.432 50 0 CEAARN COCc1ccc(C(=O)OCc2cc(C)on2)cc1 ZINC000060973358 362672734 /nfs/dbraw/zinc/67/27/34/362672734.db2.gz CWWIVIXCOFZRLC-UHFFFAOYSA-N 0 0 261.277 2.486 50 0 CEAARN CNc1nc2c(s1)[C@H](c1ccc(O)cc1)CC(=O)N2 ZINC000061720188 362686669 /nfs/dbraw/zinc/68/66/69/362686669.db2.gz ZSLYXMJQFUPQOD-VIFPVBQESA-N 0 0 275.333 2.365 50 0 CEAARN C[C@](O)(CNC(=O)c1ccccc1Cl)C1CC1 ZINC000062021597 362701281 /nfs/dbraw/zinc/70/12/81/362701281.db2.gz HWNFXXOAXPHDNW-ZDUSSCGKSA-N 0 0 253.729 2.231 50 0 CEAARN Cc1noc(C(F)F)c1C(=O)N1Cc2cccnc2C1 ZINC000623238001 349956522 /nfs/dbraw/zinc/95/65/22/349956522.db2.gz RAJPPZNAIZBAQD-UHFFFAOYSA-N 0 0 279.246 2.472 50 0 CEAARN C[C@H]1CN(C(=O)c2ccccc2Br)CCO1 ZINC000019422202 290782994 /nfs/dbraw/zinc/78/29/94/290782994.db2.gz LMGBJMLQVPPLPI-VIFPVBQESA-N 0 0 284.153 2.310 50 0 CEAARN O=C1Nc2cc(O)ccc2O[C@@H]1Cc1ccccc1F ZINC000062495480 362719976 /nfs/dbraw/zinc/71/99/76/362719976.db2.gz PUMOMFWYOZLXCX-CQSZACIVSA-N 0 0 273.263 2.474 50 0 CEAARN CCOc1cc(C[NH2+]CCC(=O)[O-])cc(Cl)c1OC ZINC000062717962 362720837 /nfs/dbraw/zinc/72/08/37/362720837.db2.gz GIBBVWSXYWEEKF-UHFFFAOYSA-N 0 0 287.743 2.312 50 0 CEAARN CCc1noc(-c2nc(-c3ccc(N(C)C)cc3)no2)n1 ZINC000098212392 185700108 /nfs/dbraw/zinc/70/01/08/185700108.db2.gz UFOGXRUWBHRHTB-UHFFFAOYSA-N 0 0 285.307 2.415 50 0 CEAARN COC1CCN(c2nc3ccc(N)cc3s2)CC1 ZINC000063103471 362750725 /nfs/dbraw/zinc/75/07/25/362750725.db2.gz AKEXAEHFTDXJQN-UHFFFAOYSA-N 0 0 263.366 2.494 50 0 CEAARN COc1c2ccccc2sc1C(=O)N1CCN(C)CC1 ZINC000064542258 362786345 /nfs/dbraw/zinc/78/63/45/362786345.db2.gz AXUOJRVWBQPAAA-UHFFFAOYSA-N 0 0 290.388 2.298 50 0 CEAARN CC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F ZINC000063830380 362777071 /nfs/dbraw/zinc/77/70/71/362777071.db2.gz ATNCKPUBWKBSLV-UHFFFAOYSA-N 0 0 265.263 2.476 50 0 CEAARN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)C1CCCC1 ZINC000064553940 362789833 /nfs/dbraw/zinc/78/98/33/362789833.db2.gz YFTXTBBVAJMSGT-AWEZNQCLSA-N 0 0 278.396 2.084 50 0 CEAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)NC[C@H]1CCCO1 ZINC000064555980 362790101 /nfs/dbraw/zinc/79/01/01/362790101.db2.gz MQBPDIIARAKMQH-OLZOCXBDSA-N 0 0 293.367 2.317 50 0 CEAARN CC1=NO[C@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC000064555819 362790252 /nfs/dbraw/zinc/79/02/52/362790252.db2.gz YWRIRGLQPGVCSX-NSHDSACASA-N 0 0 252.701 2.235 50 0 CEAARN CCCNC(=O)NCc1ccc2c(c1)CCN2C(=O)CC ZINC000064969042 362800043 /nfs/dbraw/zinc/80/00/43/362800043.db2.gz AAECKXCZMHOFRV-UHFFFAOYSA-N 0 0 289.379 2.195 50 0 CEAARN CC[C@H]1Cn2c(C(=O)NCCOC)cc3cccc(c32)O1 ZINC000064816563 362795286 /nfs/dbraw/zinc/79/52/86/362795286.db2.gz IQOHXYIMXOKTDO-LBPRGKRZSA-N 0 0 288.347 2.189 50 0 CEAARN O=C(NC1CCCC1)c1cccnc1N1CCSCC1 ZINC000064552333 362788656 /nfs/dbraw/zinc/78/86/56/362788656.db2.gz RSXFVFVDGGTJRC-UHFFFAOYSA-N 0 0 291.420 2.307 50 0 CEAARN Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000064552570 362788871 /nfs/dbraw/zinc/78/88/71/362788871.db2.gz QNOPAPMBAZDYMA-CYBMUJFWSA-N 0 0 275.352 2.080 50 0 CEAARN Cc1ccc(-n2cc(C(=O)NC(C)C)nn2)cc1C ZINC000065036606 362801857 /nfs/dbraw/zinc/80/18/57/362801857.db2.gz ZGAITMFDHWZFCZ-UHFFFAOYSA-N 0 0 258.325 2.022 50 0 CEAARN CCn1cc(CC(=O)NCc2ccncc2)c2cccnc21 ZINC000065155812 362803381 /nfs/dbraw/zinc/80/33/81/362803381.db2.gz FNMWWMCROLZARG-UHFFFAOYSA-N 0 0 294.358 2.310 50 0 CEAARN CCCNC(=O)CSc1ccc(-c2nc(C)no2)cn1 ZINC000065185812 362805096 /nfs/dbraw/zinc/80/50/96/362805096.db2.gz ZZCUNJBNBYUQSI-UHFFFAOYSA-N 0 0 292.364 2.058 50 0 CEAARN Cc1nnc([C@@H](C)Nc2cc(NC(C)C)ncn2)o1 ZINC000065380488 362813405 /nfs/dbraw/zinc/81/34/05/362813405.db2.gz RHIKKGGBJIDBGL-MRVPVSSYSA-N 0 0 262.317 2.161 50 0 CEAARN COc1cccc(-c2nc(Cn3ccnc3C)no2)c1 ZINC000065288323 362807196 /nfs/dbraw/zinc/80/71/96/362807196.db2.gz ARHWKZRGUPEJPI-UHFFFAOYSA-N 0 0 270.292 2.298 50 0 CEAARN CCO[C@H]1COC[C@@H]1NC(=O)c1cc2cc(C)ccc2o1 ZINC000065371046 362810829 /nfs/dbraw/zinc/81/08/29/362810829.db2.gz USTKQPATDPVKIJ-WFASDCNBSA-N 0 0 289.331 2.275 50 0 CEAARN CCc1csc(-c2nc3c([nH]2)C(=O)NCC(C)(C)C3)n1 ZINC000065403707 362818340 /nfs/dbraw/zinc/81/83/40/362818340.db2.gz PSPSIOGXZZLGEB-UHFFFAOYSA-N 0 0 290.392 2.408 50 0 CEAARN Cc1cc(CN(C)c2ncc(F)c(N3CCCC3)n2)on1 ZINC000065405838 362818943 /nfs/dbraw/zinc/81/89/43/362818943.db2.gz DTBGJVKQFMSWCB-UHFFFAOYSA-N 0 0 291.330 2.149 50 0 CEAARN CNc1ccnc(NCc2cccc(-n3cccn3)c2)n1 ZINC000065381451 362813909 /nfs/dbraw/zinc/81/39/09/362813909.db2.gz FUBFPOGGACGOFU-UHFFFAOYSA-N 0 0 280.335 2.316 50 0 CEAARN NC(=O)COc1cccc(-n2ccc(-c3cccs3)n2)c1 ZINC000065385034 362814018 /nfs/dbraw/zinc/81/40/18/362814018.db2.gz BCFGSDBORDQCHQ-UHFFFAOYSA-N 0 0 299.355 2.465 50 0 CEAARN Cc1cccn2cc(CC(=O)[N-]OCc3ccccc3)[nH+]c12 ZINC000065565764 362837387 /nfs/dbraw/zinc/83/73/87/362837387.db2.gz ZISLPHZQAAMUKI-UHFFFAOYSA-N 0 0 295.342 2.433 50 0 CEAARN Cc1nc(-c2cccc(C)c2)n(CC(=O)N[C@@H](C)C2CC2)n1 ZINC000065565248 362837416 /nfs/dbraw/zinc/83/74/16/362837416.db2.gz VZECJZLTZHMTMC-LBPRGKRZSA-N 0 0 298.390 2.477 50 0 CEAARN CCOc1ccc(C(=O)N[C@](C)(CC)C(=O)OC)cc1 ZINC000065586763 362838800 /nfs/dbraw/zinc/83/88/00/362838800.db2.gz CBNPQSNGXPHDST-OAHLLOKOSA-N 0 0 279.336 2.157 50 0 CEAARN COC(=O)CNC(=O)C1(c2cccc(C)c2)CCCC1 ZINC000065595732 362840298 /nfs/dbraw/zinc/84/02/98/362840298.db2.gz ZUVURYXDZVZAQE-UHFFFAOYSA-N 0 0 275.348 2.096 50 0 CEAARN CCOc1ncccc1CN[C@@H](C)C(=O)NC1CCCC1 ZINC000065503760 362828985 /nfs/dbraw/zinc/82/89/85/362828985.db2.gz ICDGKWGKTUGDQF-LBPRGKRZSA-N 0 0 291.395 2.017 50 0 CEAARN COCCN(C)Cc1nc(C(C)C)nn1-c1ccccc1 ZINC000065525979 362830620 /nfs/dbraw/zinc/83/06/20/362830620.db2.gz IAYAMGLKJAWKLO-UHFFFAOYSA-N 0 0 288.395 2.469 50 0 CEAARN CCC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000065539785 362832926 /nfs/dbraw/zinc/83/29/26/362832926.db2.gz ANPASIIICWJIST-UHFFFAOYSA-N 0 0 266.385 2.038 50 0 CEAARN CC[C@H](C)[C@@H](C)N(Cc1nnnn1C1CC1)C1CC1 ZINC000065537211 362833072 /nfs/dbraw/zinc/83/30/72/362833072.db2.gz ZAUJDPVWJBZYPW-WDEREUQCSA-N 0 0 263.389 2.407 50 0 CEAARN O=C(NC[C@]1(O)C=CCCC1)c1c(F)cccc1F ZINC000606440346 347473347 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/nfs/dbraw/zinc/93/25/93/365932593.db2.gz CGQDTMCBMUVEMG-UHFFFAOYSA-N 0 0 261.321 2.402 50 0 CEAARN C[N@H+](CCC(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000086774812 179327288 /nfs/dbraw/zinc/32/72/88/179327288.db2.gz DHHAODASMVHNCZ-OAHLLOKOSA-N 0 0 276.380 2.058 50 0 CEAARN Cn1ccnc1SC[C@H](O)c1ccc(F)cc1 ZINC000066347370 362862644 /nfs/dbraw/zinc/86/26/44/362862644.db2.gz SRRLEYXKTLUTDJ-NSHDSACASA-N 0 0 252.314 2.385 50 0 CEAARN CC(C)OCCn1nc(-c2ccccc2F)ccc1=O ZINC000066265124 362858337 /nfs/dbraw/zinc/85/83/37/362858337.db2.gz HGNGYFBUDZKLCO-UHFFFAOYSA-N 0 0 276.311 2.474 50 0 CEAARN CC[C@H](NC(=O)c1ccon1)c1nc2ccccc2[nH]1 ZINC000066766548 362885219 /nfs/dbraw/zinc/88/52/19/362885219.db2.gz OKMYXHVDSOHPLX-VIFPVBQESA-N 0 0 270.292 2.432 50 0 CEAARN COc1nc(C)cc(C)c1CNC(=O)NC1CCCC1 ZINC000067034676 362900184 /nfs/dbraw/zinc/90/01/84/362900184.db2.gz TWZHGVRQKZNBKS-UHFFFAOYSA-N 0 0 277.368 2.449 50 0 CEAARN Cc1cc(NC(=O)c2cccnc2)ccc1N1CCOCC1 ZINC000067321419 362905435 /nfs/dbraw/zinc/90/54/35/362905435.db2.gz LSIOKTGVBIACCV-UHFFFAOYSA-N 0 0 297.358 2.479 50 0 CEAARN OC1CCN(c2cccc(Nc3ncccn3)c2)CC1 ZINC000067448278 362907901 /nfs/dbraw/zinc/90/79/01/362907901.db2.gz NUECZCPJQPSBQW-UHFFFAOYSA-N 0 0 270.336 2.181 50 0 CEAARN Cc1cc(-n2cnnc2CCc2ccccc2)n(C)n1 ZINC000067447105 362908230 /nfs/dbraw/zinc/90/82/30/362908230.db2.gz NYOBZWPVWZRKGT-UHFFFAOYSA-N 0 0 267.336 2.094 50 0 CEAARN COc1ccc(F)c(-c2nc(OC)cc(OC)n2)c1 ZINC000067540419 362909925 /nfs/dbraw/zinc/90/99/25/362909925.db2.gz MWXYASPHPZWEFI-UHFFFAOYSA-N 0 0 264.256 2.309 50 0 CEAARN COc1ccc(-n2cnnc2[C@@H](C)N2CCCC2)cc1 ZINC000067643304 362914227 /nfs/dbraw/zinc/91/42/27/362914227.db2.gz SKPHBOPENKDBFB-GFCCVEGCSA-N 0 0 272.352 2.433 50 0 CEAARN COc1ccc(-n2cnnc2[C@H](O)c2ccccc2)cc1 ZINC000067674677 362915757 /nfs/dbraw/zinc/91/57/57/362915757.db2.gz KRSPLINYZZHWMF-OAHLLOKOSA-N 0 0 281.315 2.358 50 0 CEAARN CN(CC(=O)c1ccc(O)cc1)C(=O)c1cccs1 ZINC000067677664 362918440 /nfs/dbraw/zinc/91/84/40/362918440.db2.gz QQSLNGMJUXHHBL-UHFFFAOYSA-N 0 0 275.329 2.409 50 0 CEAARN CCc1c[nH]nc1C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000067770897 362924616 /nfs/dbraw/zinc/92/46/16/362924616.db2.gz SLZYSSVOXYUMTR-UHFFFAOYSA-N 0 0 297.366 2.022 50 0 CEAARN CCn1c2ccccc2nc1[C@@H]1NCCc2nc[nH]c21 ZINC000067833802 362927417 /nfs/dbraw/zinc/92/74/17/362927417.db2.gz UNNZTQHOHOFEAP-CQSZACIVSA-N 0 0 267.336 2.014 50 0 CEAARN COc1ccc(Cc2n[nH]c(=O)n2-c2ccc(C)cc2)cc1 ZINC000067742873 362922335 /nfs/dbraw/zinc/92/23/35/362922335.db2.gz BOCRYVYOKLFPNR-UHFFFAOYSA-N 0 0 295.342 2.468 50 0 CEAARN Cc1noc(C)c1CNC(=O)COc1ccc(F)cc1 ZINC000067759638 362922625 /nfs/dbraw/zinc/92/26/25/362922625.db2.gz DBBIOCAGZQWKRQ-UHFFFAOYSA-N 0 0 278.283 2.126 50 0 CEAARN CCNC(=O)NC[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC000067855405 362928192 /nfs/dbraw/zinc/92/81/92/362928192.db2.gz KKGPNWWSJXNGQD-YXMGTMDOSA-N 0 0 287.407 2.341 50 0 CEAARN Cc1cc(CN2CCc3nc[nH]c3[C@H]2c2ccoc2)[nH]n1 ZINC000067846986 362928407 /nfs/dbraw/zinc/92/84/07/362928407.db2.gz ZSJPUKCESGZXLR-OAHLLOKOSA-N 0 0 283.335 2.182 50 0 CEAARN Cc1nn(CCO)cc1CN1CC[C@@H]1c1ccc(F)cc1 ZINC000067846998 362928505 /nfs/dbraw/zinc/92/85/05/362928505.db2.gz YCIOYHJLAWKJOL-MRXNPFEDSA-N 0 0 289.354 2.270 50 0 CEAARN O=C(NCCCNc1nc(C2CC2)ns1)C1CCC1 ZINC000089598021 179826793 /nfs/dbraw/zinc/82/67/93/179826793.db2.gz QZAWEEZWWFVXAT-UHFFFAOYSA-N 0 0 280.397 2.134 50 0 CEAARN C[C@H](NC(=O)c1cnn2c1OCCC2)c1ccccc1 ZINC000090583775 180009200 /nfs/dbraw/zinc/00/92/00/180009200.db2.gz KQGHRQTYEXSUGH-NSHDSACASA-N 0 0 271.320 2.157 50 0 CEAARN O=C([O-])CCc1cc2n(n1)CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000091351079 180137601 /nfs/dbraw/zinc/13/76/01/180137601.db2.gz AGYKCTXNZUAUAF-CYBMUJFWSA-N 0 0 289.379 2.072 50 0 CEAARN CO[C@H](Cn1cc(-c2nccn2C)nn1)c1cccs1 ZINC000091289131 180121763 /nfs/dbraw/zinc/12/17/63/180121763.db2.gz OOCLUWCWCVKZPG-LLVKDONJSA-N 0 0 289.364 2.128 50 0 CEAARN Cc1cccc(OC[C@@H](O)CNc2ncccc2F)c1 ZINC000091459071 180160710 /nfs/dbraw/zinc/16/07/10/180160710.db2.gz PLVFMIFAWOERNW-LBPRGKRZSA-N 0 0 276.311 2.381 50 0 CEAARN c1c(COCc2ccccc2)nnn1C[C@@H]1CCCO1 ZINC000091381593 180144004 /nfs/dbraw/zinc/14/40/04/180144004.db2.gz CLCSXOIGFXGJJE-HNNXBMFYSA-N 0 0 273.336 2.174 50 0 CEAARN CC1(C)CN(C(=O)NC2CCCC2)CC[C@]1(C)O ZINC000091548140 180187509 /nfs/dbraw/zinc/18/75/09/180187509.db2.gz RGVNVUUTGQQFTE-AWEZNQCLSA-N 0 0 254.374 2.122 50 0 CEAARN CCn1nc(C(=O)N2CCC[C@@H](CCCOC)C2)cc1C ZINC000091656106 180217872 /nfs/dbraw/zinc/21/78/72/180217872.db2.gz LWEWWVZYOSPIBF-AWEZNQCLSA-N 0 0 293.411 2.490 50 0 CEAARN NC(=O)CSc1ccc(C[C@H]2CCCCO2)cc1 ZINC000091656999 180217876 /nfs/dbraw/zinc/21/78/76/180217876.db2.gz WBLUPVZCNNHJBB-GFCCVEGCSA-N 0 0 265.378 2.376 50 0 CEAARN Cc1n[nH]c(C)c1CCCNc1ncnc2onc(C)c21 ZINC000091657220 180217989 /nfs/dbraw/zinc/21/79/89/180217989.db2.gz DFROIDPLMCLQRY-UHFFFAOYSA-N 0 0 286.339 2.311 50 0 CEAARN CC(=O)c1cnc(NC[C@H]2COc3ccccc3O2)nc1C ZINC000091621540 180209363 /nfs/dbraw/zinc/20/93/63/180209363.db2.gz VJBPKQMWCASKHE-LBPRGKRZSA-N 0 0 299.330 2.240 50 0 CEAARN C[C@@H](C(=O)NCCCOc1ccc(F)cc1)n1ccnc1 ZINC000069019411 362952340 /nfs/dbraw/zinc/95/23/40/362952340.db2.gz REFGMYQNCWTYAB-LBPRGKRZSA-N 0 0 291.326 2.169 50 0 CEAARN Cc1n[nH]c2cc(NC(=O)[C@@H]3CCCOC3)ccc12 ZINC000091825946 180265258 /nfs/dbraw/zinc/26/52/58/180265258.db2.gz RPRPPUDPHAVPLJ-SNVBAGLBSA-N 0 0 259.309 2.236 50 0 CEAARN C[C@@](O)(CNC(=O)CCc1ccccc1F)C1CC1 ZINC000206711316 539788034 /nfs/dbraw/zinc/78/80/34/539788034.db2.gz XTKMYFUPSLAZAK-OAHLLOKOSA-N 0 0 265.328 2.036 50 0 CEAARN Cc1cccc([C@@H](C(=O)NC2(CO)CCCC2)N(C)C)c1 ZINC000092062169 180315100 /nfs/dbraw/zinc/31/51/00/180315100.db2.gz VEUMMGUMBKFWSC-HNNXBMFYSA-N 0 0 290.407 2.019 50 0 CEAARN C[C@@H]1CN(Cc2ccc(C(C)(C)C)s2)C[C@@H](C(N)=O)O1 ZINC000092007427 180305292 /nfs/dbraw/zinc/30/52/92/180305292.db2.gz PPWLLJURWJPIME-PWSUYJOCSA-N 0 0 296.436 2.120 50 0 CEAARN CCn1c(C)nnc1CS[C@@H](C)c1nc(C)no1 ZINC000091028666 539794353 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/nfs/dbraw/zinc/31/68/95/539316895.db2.gz OAISOSVGKXUSQD-INIZCTEOSA-N 0 0 298.390 2.420 50 0 CEAARN Brc1scnc1CN1CCc2n[nH]cc2C1 ZINC000585094324 539317165 /nfs/dbraw/zinc/31/71/65/539317165.db2.gz JLZRVIQQYRVRKR-UHFFFAOYSA-N 0 0 299.197 2.187 50 0 CEAARN CC(C)NC(=O)Nc1ccccc1CN1CCOCC1 ZINC000048146776 362246848 /nfs/dbraw/zinc/24/68/48/362246848.db2.gz JXBRXRZZAHWZBC-UHFFFAOYSA-N 0 0 277.368 2.049 50 0 CEAARN NC(=O)CN1CCC[C@H]1c1ccc(Br)cc1 ZINC000052453209 343561308 /nfs/dbraw/zinc/56/13/08/343561308.db2.gz FRSUVFBWBQTNEA-NSHDSACASA-N 0 0 283.169 2.071 50 0 CEAARN CCc1nc(Cn2c3c(sc2=O)C[C@H](C)CC3)no1 ZINC000098009571 529742115 /nfs/dbraw/zinc/74/21/15/529742115.db2.gz DPLGPEJITNGKDN-MRVPVSSYSA-N 0 0 279.365 2.028 50 0 CEAARN Cc1nn(C)c2ncc(-c3nc(-c4ccncc4)no3)cc12 ZINC000225386899 282285897 /nfs/dbraw/zinc/28/58/97/282285897.db2.gz KAEKWLHIRFGLFK-UHFFFAOYSA-N 0 0 292.302 2.389 50 0 CEAARN CC1(CNC(=O)c2cccc(OC(F)F)c2)COC1 ZINC000083521538 178558654 /nfs/dbraw/zinc/55/86/54/178558654.db2.gz SHEXJAOPCPTIEG-UHFFFAOYSA-N 0 0 271.263 2.054 50 0 CEAARN COc1ccccc1OCCC(=O)N1CCOCC1(C)C ZINC000064813233 343693294 /nfs/dbraw/zinc/69/32/94/343693294.db2.gz OZMFRWBMCXLLLC-UHFFFAOYSA-N 0 0 293.363 2.102 50 0 CEAARN COc1ncccc1CN(C)C(=O)COc1ccccc1 ZINC000065267001 343696528 /nfs/dbraw/zinc/69/65/28/343696528.db2.gz PLHMKXFHODXWLS-UHFFFAOYSA-N 0 0 286.331 2.128 50 0 CEAARN CCCc1nc(C)c2c(n1)N(C[C@H]1CCCO1)C(=O)CC2 ZINC000065289335 343697401 /nfs/dbraw/zinc/69/74/01/343697401.db2.gz YRZMLFVCRNJLEQ-GFCCVEGCSA-N 0 0 289.379 2.196 50 0 CEAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1 ZINC000066012813 343705894 /nfs/dbraw/zinc/70/58/94/343705894.db2.gz NDKFEJAUMXNIEJ-WFASDCNBSA-N 0 0 291.347 2.412 50 0 CEAARN CCS[C@H](C(=O)NCc1cc(C)on1)C(C)C ZINC000066335682 343711419 /nfs/dbraw/zinc/71/14/19/343711419.db2.gz SSYUXHNMAZLJSB-NSHDSACASA-N 0 0 256.371 2.377 50 0 CEAARN O=C(NCc1nc[nH]n1)c1cccc2c3c([nH]c21)CCCC3 ZINC000066456733 343714527 /nfs/dbraw/zinc/71/45/27/343714527.db2.gz WCUNISDZBNCACV-UHFFFAOYSA-N 0 0 295.346 2.095 50 0 CEAARN Cc1nnc2n1CCN(c1ccnc(-c3ccccc3)n1)C2 ZINC000069619553 343789186 /nfs/dbraw/zinc/78/91/86/343789186.db2.gz JXBXQSXAXJHDBA-UHFFFAOYSA-N 0 0 292.346 2.064 50 0 CEAARN Cc1noc(C)c1C(=O)N1CCC[C@@H](n2ccnc2C)C1 ZINC000069620362 343789362 /nfs/dbraw/zinc/78/93/62/343789362.db2.gz ZHXRXGWKLXMXBS-CYBMUJFWSA-N 0 0 288.351 2.274 50 0 CEAARN CCc1cc(N2CCC[C@H]2c2noc(C)n2)ncn1 ZINC000072281912 343802866 /nfs/dbraw/zinc/80/28/66/343802866.db2.gz UIZQVMYILBGVPH-NSHDSACASA-N 0 0 259.313 2.072 50 0 CEAARN CCc1cc2c(ncn(Cc3cc(C)no3)c2=O)s1 ZINC000070848526 343796128 /nfs/dbraw/zinc/79/61/28/343796128.db2.gz FUYRZXHXUAPGLX-UHFFFAOYSA-N 0 0 275.333 2.365 50 0 CEAARN CC(C)c1cc(N2CCO[C@@H](C(F)(F)F)C2)ncn1 ZINC000071749842 343801476 /nfs/dbraw/zinc/80/14/76/343801476.db2.gz ACDNJKVAGVLPQG-SNVBAGLBSA-N 0 0 275.274 2.368 50 0 CEAARN CCc1cnc(CN2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000072299789 343803460 /nfs/dbraw/zinc/80/34/60/343803460.db2.gz NJNDIZDOTKMQHH-NSHDSACASA-N 0 0 260.341 2.340 50 0 CEAARN CCc1nc([C@H]2CCCN2Cc2ncc(C)o2)no1 ZINC000072299840 343803472 /nfs/dbraw/zinc/80/34/72/343803472.db2.gz ZCCZLSKXCYRRCH-SNVBAGLBSA-N 0 0 262.313 2.266 50 0 CEAARN O=C(NCC(F)(F)F)N1C[C@H](O)C[C@H]1C1CCCCC1 ZINC000075139435 343839668 /nfs/dbraw/zinc/83/96/68/343839668.db2.gz XLLLFRKLTMTGSL-MNOVXSKESA-N 0 0 294.317 2.274 50 0 CEAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccccc2C)N1 ZINC000075260102 343844100 /nfs/dbraw/zinc/84/41/00/343844100.db2.gz DRBWAYMSHGRACH-GFCCVEGCSA-N 0 0 286.253 2.468 50 0 CEAARN Nc1cc(-c2ccc(N)cc2)nn1-c1ccccn1 ZINC000075274258 343844530 /nfs/dbraw/zinc/84/45/30/343844530.db2.gz GJBKQBZVWUSATH-UHFFFAOYSA-N 0 0 251.293 2.099 50 0 CEAARN C[C@H](O)[C@](O)(c1nc2ccccc2n1C)c1ccccc1 ZINC000075283463 343845119 /nfs/dbraw/zinc/84/51/19/343845119.db2.gz MJJDMPUARQZQIA-YVEFUNNKSA-N 0 0 282.343 2.190 50 0 CEAARN COC1=CC(=O)O/C1=C/c1ccc(OC)c(OC)c1 ZINC000075291501 343845571 /nfs/dbraw/zinc/84/55/71/343845571.db2.gz DLNIONSDXMWCBG-NTUHNPAUSA-N 0 0 262.261 2.132 50 0 CEAARN CCN(CC)C(=O)CCNC(=O)Nc1ccc(C)s1 ZINC000075410883 343851553 /nfs/dbraw/zinc/85/15/53/343851553.db2.gz CATRICFTMIVTRH-UHFFFAOYSA-N 0 0 283.397 2.437 50 0 CEAARN CCO[C@@H]1C[C@H](NC(=O)c2cc(C)nn2CC)C12CCC2 ZINC000076022237 343876785 /nfs/dbraw/zinc/87/67/85/343876785.db2.gz LVYPSQHSTAYKIJ-UONOGXRCSA-N 0 0 291.395 2.289 50 0 CEAARN CC[C@@H]1CN(C(=O)NCCCn2cc(C)cn2)CCS1 ZINC000076086713 343879789 /nfs/dbraw/zinc/87/97/89/343879789.db2.gz FJHZEHYLSLKGQB-CYBMUJFWSA-N 0 0 296.440 2.119 50 0 CEAARN Cc1nn(C)c(Cl)c1[C@H]1CCCN1CCn1cccn1 ZINC000075605231 343858711 /nfs/dbraw/zinc/85/87/11/343858711.db2.gz HKJPJXDYOSOMBB-GFCCVEGCSA-N 0 0 293.802 2.416 50 0 CEAARN CCC(=O)Nc1ccc(C)c(NC(=O)N2CCOCC2)c1 ZINC000048258470 362251976 /nfs/dbraw/zinc/25/19/76/362251976.db2.gz ZCAKCEKZKLHWGU-UHFFFAOYSA-N 0 0 291.351 2.208 50 0 CEAARN O=C(NCc1ccco1)NC[C@H]1Cc2ccccc2O1 ZINC000048301886 362252935 /nfs/dbraw/zinc/25/29/35/362252935.db2.gz SOPIADBKDZHGGT-CYBMUJFWSA-N 0 0 272.304 2.083 50 0 CEAARN CC(=O)Nc1ccc(C)c(NC(=O)N2CCO[C@@H](C)C2)c1 ZINC000048274962 362253177 /nfs/dbraw/zinc/25/31/77/362253177.db2.gz DSYFEQNIVLDUMV-NSHDSACASA-N 0 0 291.351 2.206 50 0 CEAARN O=C(NCCCn1ccnc1)c1ccc(Cl)cc1F ZINC000048333498 362256286 /nfs/dbraw/zinc/25/62/86/362256286.db2.gz RJGAMDXMVJAHJE-UHFFFAOYSA-N 0 0 281.718 2.496 50 0 CEAARN O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1CCCO1 ZINC000048333652 362256346 /nfs/dbraw/zinc/25/63/46/362256346.db2.gz FJMSCOXBEOAGLZ-SNVBAGLBSA-N 0 0 275.333 2.323 50 0 CEAARN COc1cc(CN2CCOCC2)ccc1OC(F)F ZINC000048343645 362257591 /nfs/dbraw/zinc/25/75/91/362257591.db2.gz WGQGZQAPAXFRFE-UHFFFAOYSA-N 0 0 273.279 2.129 50 0 CEAARN CN(Cc1ccc(O)cc1)C(=O)Nc1ccccn1 ZINC000048350038 362259591 /nfs/dbraw/zinc/25/95/91/362259591.db2.gz GHLLKHBYGKBEEF-UHFFFAOYSA-N 0 0 257.293 2.451 50 0 CEAARN C[C@H](Cn1cccn1)NC(=O)NCC1(c2ccccc2)CC1 ZINC000048357824 362261072 /nfs/dbraw/zinc/26/10/72/362261072.db2.gz YQLCPLXLEBMBOW-CQSZACIVSA-N 0 0 298.390 2.303 50 0 CEAARN CC(C)c1nc(Cn2nnc3ccccc3c2=O)cs1 ZINC000048374699 362262299 /nfs/dbraw/zinc/26/22/99/362262299.db2.gz SQBCNSLZXBFNPV-UHFFFAOYSA-N 0 0 286.360 2.420 50 0 CEAARN COC(=O)CN(C)Cc1ccccc1C(F)(F)F ZINC000048584112 362289358 /nfs/dbraw/zinc/28/93/58/362289358.db2.gz SHJMIHNRUZRLRO-UHFFFAOYSA-N 0 0 261.243 2.310 50 0 CEAARN O=C(c1ccccc1-n1cccn1)N1CCSCC1 ZINC000048600677 362290730 /nfs/dbraw/zinc/29/07/30/362290730.db2.gz KNQTYXKLWHIOTI-UHFFFAOYSA-N 0 0 273.361 2.061 50 0 CEAARN O=C(c1ccc(N2CCCC2=O)cc1)N1CCSCC1 ZINC000048600276 362290979 /nfs/dbraw/zinc/29/09/79/362290979.db2.gz UFNCEBONOQZZIK-UHFFFAOYSA-N 0 0 290.388 2.002 50 0 CEAARN Cc1ccc(C(=O)NCc2ccnc(C)n2)cc1C ZINC000048808146 362304778 /nfs/dbraw/zinc/30/47/78/362304778.db2.gz YHMXOHLDDVLYPF-UHFFFAOYSA-N 0 0 255.321 2.332 50 0 CEAARN CCCCS(=O)(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000048903420 362308984 /nfs/dbraw/zinc/30/89/84/362308984.db2.gz GCQGPTDHPBZJQN-NSHDSACASA-N 0 0 299.392 2.238 50 0 CEAARN CCCCS(=O)(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000048903422 362309189 /nfs/dbraw/zinc/30/91/89/362309189.db2.gz GCQGPTDHPBZJQN-LLVKDONJSA-N 0 0 299.392 2.238 50 0 CEAARN Cc1ccc([C@H](O)CNC(=O)NCCc2ccccc2)o1 ZINC000049026947 362323996 /nfs/dbraw/zinc/32/39/96/362323996.db2.gz KKKQRCVPMUEICV-CQSZACIVSA-N 0 0 288.347 2.163 50 0 CEAARN Cc1ccc([C@H](O)CNC(=O)c2ccsc2)o1 ZINC000049026724 362324364 /nfs/dbraw/zinc/32/43/64/362324364.db2.gz SEHBMDPKTZKSBK-SNVBAGLBSA-N 0 0 251.307 2.113 50 0 CEAARN Cc1ccc([C@H](O)CNC(=O)NCc2ccc(F)cc2)o1 ZINC000049026955 362324475 /nfs/dbraw/zinc/32/44/75/362324475.db2.gz KQFBGJWBNQNQCN-CYBMUJFWSA-N 0 0 292.310 2.260 50 0 CEAARN CCSc1ccccc1C(=O)NCC1(CO)CC1 ZINC000049030007 362325416 /nfs/dbraw/zinc/32/54/16/362325416.db2.gz CLLCBUWCTXSQDJ-UHFFFAOYSA-N 0 0 265.378 2.301 50 0 CEAARN C[C@@H]1CN(C(=O)NCCc2ccsc2)CC(C)(C)O1 ZINC000049177438 362344139 /nfs/dbraw/zinc/34/41/39/362344139.db2.gz YLTKTOGEOADDOY-LLVKDONJSA-N 0 0 282.409 2.500 50 0 CEAARN CS(=O)(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000049239166 362348046 /nfs/dbraw/zinc/34/80/46/362348046.db2.gz KVXGHHZOHNQLME-AWEZNQCLSA-N 0 0 279.336 2.464 50 0 CEAARN CC(C)(c1nc([C@H]2COCCN2)no1)c1ccccc1 ZINC000096001477 344238229 /nfs/dbraw/zinc/23/82/29/344238229.db2.gz NSAFQKNPSVQBIF-GFCCVEGCSA-N 0 0 273.336 2.056 50 0 CEAARN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)CC(C)(C)C ZINC000095983532 344238598 /nfs/dbraw/zinc/23/85/98/344238598.db2.gz JBWYXXVWXLRDFC-ZDUSSCGKSA-N 0 0 293.411 2.373 50 0 CEAARN C[C@H](N[C@H](C(N)=O)c1ccc(F)cc1)c1cncc(F)c1 ZINC000097370620 344244804 /nfs/dbraw/zinc/24/48/04/344244804.db2.gz UJRGNDFVDSXABG-XPTSAGLGSA-N 0 0 291.301 2.237 50 0 CEAARN CCc1nnc(CN(C[C@@H]2CCCCO2)C(C)C)[nH]1 ZINC000097096424 344243053 /nfs/dbraw/zinc/24/30/53/344243053.db2.gz YRVZMHLXESUVIL-LBPRGKRZSA-N 0 0 266.389 2.147 50 0 CEAARN Cc1nc(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)oc1C ZINC000126629937 344325509 /nfs/dbraw/zinc/32/55/09/344325509.db2.gz RTLUKRXCJOIYMC-STQMWFEESA-N 0 0 293.367 2.048 50 0 CEAARN CNC(=O)c1cccc(NCc2cc(F)c(F)cc2F)n1 ZINC000126897769 344326981 /nfs/dbraw/zinc/32/69/81/344326981.db2.gz FNRYJODJOGXYCW-UHFFFAOYSA-N 0 0 295.264 2.471 50 0 CEAARN Cc1cccc2c1CC[C@@H]2NC(=O)N[C@](C)(CO)C1CC1 ZINC000129946452 344348263 /nfs/dbraw/zinc/34/82/63/344348263.db2.gz GTWDJSCVTYXWNK-DOTOQJQBSA-N 0 0 288.391 2.443 50 0 CEAARN Cc1cc(Br)cc(C(=O)N[C@H]2CCC[C@H]2O)c1 ZINC000134980989 344379197 /nfs/dbraw/zinc/37/91/97/344379197.db2.gz YBRQLUGPCSVCHY-NWDGAFQWSA-N 0 0 298.180 2.401 50 0 CEAARN Cc1cc(N2C(=O)OC[C@@H]2C(C)C)nc(Cl)n1 ZINC000142085207 344402648 /nfs/dbraw/zinc/40/26/48/344402648.db2.gz KUHPPZCNOWLVCO-MRVPVSSYSA-N 0 0 255.705 2.420 50 0 CEAARN CN(C)C(=O)c1ccnc(NCc2ccc3c[nH]nc3c2)c1 ZINC000158840604 344452344 /nfs/dbraw/zinc/45/23/44/344452344.db2.gz SJXJJLZTTJWGBX-UHFFFAOYSA-N 0 0 295.346 2.272 50 0 CEAARN O=C(NC[C@@H]1Cc2ccccc21)NO[C@@H]1CCCCO1 ZINC000162270129 344466909 /nfs/dbraw/zinc/46/69/09/344466909.db2.gz MEGGUZLTDMMEKU-GXTWGEPZSA-N 0 0 276.336 2.084 50 0 CEAARN 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Cc1ccc(C(=O)N(C)CC(C)(C)CO)n1C(F)F ZINC000584896216 345001513 /nfs/dbraw/zinc/00/15/13/345001513.db2.gz HBDXBDYJTRXBKA-UHFFFAOYSA-N 0 0 274.311 2.282 50 0 CEAARN Cc1ccc([C@@H](C)NC(=O)c2cc(=O)cc(C)o2)cn1 ZINC000584896530 345002172 /nfs/dbraw/zinc/00/21/72/345002172.db2.gz HPMXYGYVADMXQF-LLVKDONJSA-N 0 0 272.304 2.143 50 0 CEAARN CCCn1nc(C)c(Cn2cnc3ncccc3c2=O)c1C ZINC000584899051 345002784 /nfs/dbraw/zinc/00/27/84/345002784.db2.gz HMPZQEIICKQZTB-UHFFFAOYSA-N 0 0 297.362 2.063 50 0 CEAARN Cc1cc(C[C@H](C)n2cnc3cccc(F)c3c2=O)[nH]n1 ZINC000584898549 345002830 /nfs/dbraw/zinc/00/28/30/345002830.db2.gz RDXAUIMNZYCVBN-JTQLQIEISA-N 0 0 286.310 2.371 50 0 CEAARN Cc1csc([C@H](C)CNC(=O)c2nn(C)cc2Cl)n1 ZINC000584901960 345003883 /nfs/dbraw/zinc/00/38/83/345003883.db2.gz JIYRRQJNXZRSSY-SSDOTTSWSA-N 0 0 298.799 2.372 50 0 CEAARN O=C(N[C@H]1CCC[C@H]1Cc1ccc(F)cc1)c1nnc[nH]1 ZINC000584902958 345004640 /nfs/dbraw/zinc/00/46/40/345004640.db2.gz RHAJKAIYBDMKSI-AAEUAGOBSA-N 0 0 288.326 2.085 50 0 CEAARN Cc1ccc(C(=O)NCCc2nc(C)cc(=O)[nH]2)c(C)c1 ZINC000584903724 345004878 /nfs/dbraw/zinc/00/48/78/345004878.db2.gz QIPYOHGWUJTWPK-UHFFFAOYSA-N 0 0 285.347 2.080 50 0 CEAARN C[C@H](CNC(=O)[C@H](C)n1ccnc1)c1ccccc1 ZINC000053898656 362500358 /nfs/dbraw/zinc/50/03/58/362500358.db2.gz IXHHBTBVBJNMOT-OLZOCXBDSA-N 0 0 257.337 2.364 50 0 CEAARN Cc1ncsc1CN[C@H](C)c1cc2n(n1)CCC2 ZINC000585135053 345006351 /nfs/dbraw/zinc/00/63/51/345006351.db2.gz VRBATNTUEJFVOT-SECBINFHSA-N 0 0 262.382 2.445 50 0 CEAARN Cc1nnc(CNC(=O)c2csc3c2CCCC3)o1 ZINC000053965750 362502074 /nfs/dbraw/zinc/50/20/74/362502074.db2.gz WWOGLPKZRZCIEF-UHFFFAOYSA-N 0 0 277.349 2.248 50 0 CEAARN O=C(NCc1cccs1)NC[C@@]1(O)C=CCCC1 ZINC000585146634 345008649 /nfs/dbraw/zinc/00/86/49/345008649.db2.gz OFODZCWPBHQIJL-CYBMUJFWSA-N 0 0 266.366 2.019 50 0 CEAARN CC(C)(C)OC(=O)NCc1nc2c3ccccc3ncn2n1 ZINC000585152450 345009391 /nfs/dbraw/zinc/00/93/91/345009391.db2.gz FYRUXWDWPPTCLL-UHFFFAOYSA-N 0 0 299.334 2.302 50 0 CEAARN CCCNC(=O)[C@H](C)NC(=O)Nc1ccc(OCC)cc1 ZINC000053980241 362503847 /nfs/dbraw/zinc/50/38/47/362503847.db2.gz HIYPZQAZFPDBMG-NSHDSACASA-N 0 0 293.367 2.122 50 0 CEAARN CS(=O)(=O)NCC1(c2ccccc2)CCCC1 ZINC000054189738 362519388 /nfs/dbraw/zinc/51/93/88/362519388.db2.gz OSRVNHLWLKDWCZ-UHFFFAOYSA-N 0 0 253.367 2.048 50 0 CEAARN Cc1cc([C@H](C(=O)[O-])[N@H+](C)CCn2cccn2)ccc1F ZINC000055244572 362546822 /nfs/dbraw/zinc/54/68/22/362546822.db2.gz YWSHYMRVJRPKIC-CQSZACIVSA-N 0 0 291.326 2.088 50 0 CEAARN Cc1cc(C)nc(NC[C@@H](O)COc2ccc(F)cc2)n1 ZINC000057149356 362571652 /nfs/dbraw/zinc/57/16/52/362571652.db2.gz ZTHQCYIVFRKJEM-CYBMUJFWSA-N 0 0 291.326 2.084 50 0 CEAARN O=C(c1ccc(NC2CC2)nc1)N1CCO[C@@H]2CCC[C@H]21 ZINC000057264161 362575348 /nfs/dbraw/zinc/57/53/48/362575348.db2.gz GFGJJWRGZRWLEF-ZIAGYGMSSA-N 0 0 287.363 2.049 50 0 CEAARN Cc1ccc(NC(=O)CCNC(=O)C(C)C)c(C)c1 ZINC000057291731 362576660 /nfs/dbraw/zinc/57/66/60/362576660.db2.gz JHAGKJARIDQBSX-UHFFFAOYSA-N 0 0 262.353 2.404 50 0 CEAARN C[C@@H](NC(=O)NCC(=O)Nc1ccccc1)c1ccncc1 ZINC000056383446 362560101 /nfs/dbraw/zinc/56/01/01/362560101.db2.gz ULDWAAIYIJCIOD-GFCCVEGCSA-N 0 0 298.346 2.081 50 0 CEAARN Cc1ocnc1CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097049605 185515332 /nfs/dbraw/zinc/51/53/32/185515332.db2.gz GVKRJVFCAGMHNC-CYBMUJFWSA-N 0 0 289.339 2.143 50 0 CEAARN Cc1nscc1C(=O)NCc1cc(Cl)ccn1 ZINC000097080791 185522994 /nfs/dbraw/zinc/52/29/94/185522994.db2.gz UEQGPPQCWJKXFG-UHFFFAOYSA-N 0 0 267.741 2.430 50 0 CEAARN CN(C)c1nc(C[S@](=O)Cc2ccccc2F)ns1 ZINC000097080192 185523386 /nfs/dbraw/zinc/52/33/86/185523386.db2.gz LIIMTJKNSMVARH-IBGZPJMESA-N 0 0 299.396 2.192 50 0 CEAARN Cc1noc(CN(C)C[C@H]2CCOc3ccccc3C2)n1 ZINC000095509113 282397958 /nfs/dbraw/zinc/39/79/58/282397958.db2.gz WDTHWVJZDWQAOR-ZDUSSCGKSA-N 0 0 287.363 2.451 50 0 CEAARN CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000097097292 185531565 /nfs/dbraw/zinc/53/15/65/185531565.db2.gz BJXWTAOEEOGMDP-JTQLQIEISA-N 0 0 287.406 2.270 50 0 CEAARN Cc1ocnc1CNc1nnc(C(F)(F)F)s1 ZINC000097099790 185530498 /nfs/dbraw/zinc/53/04/98/185530498.db2.gz YZAKQAOAPSUORJ-UHFFFAOYSA-N 0 0 264.232 2.465 50 0 CEAARN CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000057717754 362593476 /nfs/dbraw/zinc/59/34/76/362593476.db2.gz XVZQPPHCHUKXNE-UHFFFAOYSA-N 0 0 257.330 2.246 50 0 CEAARN Cc1ncsc1CN1CCN(Cc2cccnc2)CC1 ZINC000097113608 185537955 /nfs/dbraw/zinc/53/79/55/185537955.db2.gz UTDKQNMRHGNKPA-UHFFFAOYSA-N 0 0 288.420 2.164 50 0 CEAARN CCc1nnc(NC(=O)NC[C@@H](C)c2nccs2)s1 ZINC000097112819 185538314 /nfs/dbraw/zinc/53/83/14/185538314.db2.gz HOPOHIIXJPJKSX-SSDOTTSWSA-N 0 0 297.409 2.482 50 0 CEAARN CCCc1ccccc1NC(=O)NN1CCCNC1=O ZINC000097117736 185540141 /nfs/dbraw/zinc/54/01/41/185540141.db2.gz URGDOZPMDVCELD-UHFFFAOYSA-N 0 0 276.340 2.091 50 0 CEAARN CC[C@H](NC(=O)C1(c2cccc(F)c2)CCC1)C(=O)OC ZINC000084372425 178876419 /nfs/dbraw/zinc/87/64/19/178876419.db2.gz WWHAHWVUIFVEDH-ZDUSSCGKSA-N 0 0 293.338 2.315 50 0 CEAARN O=C(C[C@H]1C=CCC1)NCCOc1ccc2c(c1)OCO2 ZINC000057842812 362597845 /nfs/dbraw/zinc/59/78/45/362597845.db2.gz SERFKFBIGQTZGF-LBPRGKRZSA-N 0 0 289.331 2.267 50 0 CEAARN O=C(Cn1ccc(=O)c2ccccc21)Nc1ccccc1O ZINC000058414322 362628010 /nfs/dbraw/zinc/62/80/10/362628010.db2.gz JOQKUGFNCFJCFJ-UHFFFAOYSA-N 0 0 294.310 2.346 50 0 CEAARN Cc1cccc(Cn2nccc2NC(=O)c2cnsn2)c1 ZINC000058165884 362609340 /nfs/dbraw/zinc/60/93/40/362609340.db2.gz BRULOMIWSVDFLL-UHFFFAOYSA-N 0 0 299.359 2.344 50 0 CEAARN Cc1cc(=O)n2nc(N[C@H](C)c3ccco3)sc2n1 ZINC000058161499 362609510 /nfs/dbraw/zinc/60/95/10/362609510.db2.gz LIWAUXAVGBHDGV-MRVPVSSYSA-N 0 0 276.321 2.226 50 0 CEAARN O=C(CCC1CCCC1)N1CCN(C(=O)C2CCC2)CC1 ZINC000058406274 362628168 /nfs/dbraw/zinc/62/81/68/362628168.db2.gz YBOYLCHQOANCOR-UHFFFAOYSA-N 0 0 292.423 2.428 50 0 CEAARN CS(=O)(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000058191992 362612059 /nfs/dbraw/zinc/61/20/59/362612059.db2.gz CUULJYWUIXOMOW-UHFFFAOYSA-N 0 0 296.323 2.062 50 0 CEAARN CCOC(=O)CCNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000058210369 362612705 /nfs/dbraw/zinc/61/27/05/362612705.db2.gz INSHKPAYSBPERK-LLVKDONJSA-N 0 0 281.327 2.389 50 0 CEAARN CC(C)Cc1cc(NC(=O)c2cccnc2)n(C)n1 ZINC000084575123 178900230 /nfs/dbraw/zinc/90/02/30/178900230.db2.gz VACQTGPYDXVZCN-UHFFFAOYSA-N 0 0 258.325 2.266 50 0 CEAARN COCC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl ZINC000058341675 362622641 /nfs/dbraw/zinc/62/26/41/362622641.db2.gz DDWRRWSVLDYKDK-UHFFFAOYSA-N 0 0 296.754 2.161 50 0 CEAARN CC(=O)N1CSC[C@@H]1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000246936431 539479842 /nfs/dbraw/zinc/47/98/42/539479842.db2.gz OYKWWOSCIBHWCW-VZZFWQQMSA-N 0 0 296.436 2.087 50 0 CEAARN CCc1cc(N2CCC[C@H](CO)C2)n2nc(C)c(C)c2n1 ZINC000072409373 136481439 /nfs/dbraw/zinc/48/14/39/136481439.db2.gz GCHAKOGMKYIKHZ-ZDUSSCGKSA-N 0 0 288.395 2.117 50 0 CEAARN CC(C)N(Cc1ccccn1)C(=O)c1cn2cccnc2n1 ZINC000058370315 362625432 /nfs/dbraw/zinc/62/54/32/362625432.db2.gz JDNSGDHHJALEDC-UHFFFAOYSA-N 0 0 295.346 2.175 50 0 CEAARN O=C(COC1CCCCC1)NCCc1cccc(O)c1 ZINC000058393111 362626857 /nfs/dbraw/zinc/62/68/57/362626857.db2.gz OEHAOOATMDPQFQ-UHFFFAOYSA-N 0 0 277.364 2.400 50 0 CEAARN CN(C)C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 ZINC000058391435 362626898 /nfs/dbraw/zinc/62/68/98/362626898.db2.gz BQXHLRBESAYYLV-UHFFFAOYSA-N 0 0 296.783 2.322 50 0 CEAARN O=C(NC[C@@H]1CC=CCC1)c1ccnc(-n2ccnc2)c1 ZINC000058406150 362627693 /nfs/dbraw/zinc/62/76/93/362627693.db2.gz KDDXXHDAXWIDFL-CYBMUJFWSA-N 0 0 282.347 2.353 50 0 CEAARN Cc1nccn1CCCC(=O)NCc1ccccc1 ZINC000058010091 362605054 /nfs/dbraw/zinc/60/50/54/362605054.db2.gz ZGZFQZQPHHFRDL-UHFFFAOYSA-N 0 0 257.337 2.288 50 0 CEAARN C[C@@H](CCNC(=O)N1CCC1)N(C)C(=O)OC(C)(C)C ZINC000084637272 178907221 /nfs/dbraw/zinc/90/72/21/178907221.db2.gz MLQWDPAGNMGHKQ-NSHDSACASA-N 0 0 285.388 2.047 50 0 CEAARN Cc1noc([C@H](C)S(=O)(=O)Cc2cccc(C)c2)n1 ZINC000058594528 362634860 /nfs/dbraw/zinc/63/48/60/362634860.db2.gz HVWFEJCKWNRCFV-JTQLQIEISA-N 0 0 280.349 2.362 50 0 CEAARN C[C@H]1CN(C(=O)c2cc(-c3ccco3)on2)[C@@H](C)CO1 ZINC000047643072 290758397 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/nfs/dbraw/zinc/51/92/05/136519205.db2.gz OMAICIDEWHTUDI-UHFFFAOYSA-N 0 0 271.368 2.288 50 0 CEAARN CN(C)C(=O)c1cccc(COC(=O)c2ccoc2)c1 ZINC000060592924 362666686 /nfs/dbraw/zinc/66/66/86/362666686.db2.gz PZFNCGNFPQVCNF-UHFFFAOYSA-N 0 0 273.288 2.338 50 0 CEAARN Cc1nn(C)c2c1[C@@H](c1cnn(C)c1C)SCC(=O)N2 ZINC000061720201 362687222 /nfs/dbraw/zinc/68/72/22/362687222.db2.gz VKYOXTPDGBJFJQ-GFCCVEGCSA-N 0 0 291.380 2.195 50 0 CEAARN COc1ccc2nc(-c3ccc(C)c(N)c3)cn2n1 ZINC000061966004 362700719 /nfs/dbraw/zinc/70/07/19/362700719.db2.gz WYZISNYXUJFXTC-UHFFFAOYSA-N 0 0 254.293 2.296 50 0 CEAARN Cc1ccnc(OCC(=O)Nc2ccccc2Cl)n1 ZINC000062021865 362702081 /nfs/dbraw/zinc/70/20/81/362702081.db2.gz YOGBEDIKVJULFW-UHFFFAOYSA-N 0 0 277.711 2.456 50 0 CEAARN CCCCNC(=O)c1nc(-c2nc(C)no2)cs1 ZINC000062007385 362702203 /nfs/dbraw/zinc/70/22/03/362702203.db2.gz OHSFYTBAUFKNHB-UHFFFAOYSA-N 0 0 266.326 2.031 50 0 CEAARN COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000062134228 362711534 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/nfs/dbraw/zinc/56/90/35/361569035.db2.gz BEVJULIHLUOLIJ-UHFFFAOYSA-N 0 0 285.347 2.130 50 0 CEAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCSCC1 ZINC000019939190 361569340 /nfs/dbraw/zinc/56/93/40/361569340.db2.gz FYVVSXNLUWOUGY-UHFFFAOYSA-N 0 0 273.361 2.266 50 0 CEAARN O=S1(=O)CC[C@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000019772607 361552496 /nfs/dbraw/zinc/55/24/96/361552496.db2.gz ASIOTYFCSDXNRV-JTQLQIEISA-N 0 0 294.203 2.270 50 0 CEAARN CC(=O)N[C@H](C(=O)N[C@H](C)CCc1ccccc1)C(C)C ZINC000023038966 361592047 /nfs/dbraw/zinc/59/20/47/361592047.db2.gz RCHLZEGCAIJPSJ-CJNGLKHVSA-N 0 0 290.407 2.285 50 0 CEAARN CC(C)(CNc1nc2ccccc2o1)N1CCOCC1 ZINC000023043300 361592306 /nfs/dbraw/zinc/59/23/06/361592306.db2.gz FRYFEDGGTQQGJS-UHFFFAOYSA-N 0 0 275.352 2.351 50 0 CEAARN CCN(C1CC1)S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000023074953 361593310 /nfs/dbraw/zinc/59/33/10/361593310.db2.gz HLGCAFPJFABXOY-UHFFFAOYSA-N 0 0 297.376 2.021 50 0 CEAARN O=C(Nc1nc[nH]n1)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000023214043 361595612 /nfs/dbraw/zinc/59/56/12/361595612.db2.gz QFGSYRSDQGBEDE-SECBINFHSA-N 0 0 291.742 2.480 50 0 CEAARN C[C@@H](NC(=O)C1CC1)[C@@H](c1cccs1)N1CCOCC1 ZINC000023180860 361595772 /nfs/dbraw/zinc/59/57/72/361595772.db2.gz FMZPTZQEOZVBTJ-RISCZKNCSA-N 0 0 294.420 2.036 50 0 CEAARN O=C(NCC[C@@H]1CCCO1)c1ccc(-n2cccn2)cc1 ZINC000023189635 361596622 /nfs/dbraw/zinc/59/66/22/361596622.db2.gz HXGLHHUJNIYTCU-HNNXBMFYSA-N 0 0 285.347 2.171 50 0 CEAARN O=C(Cc1ccsc1)NCCc1cn2ccccc2n1 ZINC000023319415 361597796 /nfs/dbraw/zinc/59/77/96/361597796.db2.gz CFQCMEOTSACNCU-UHFFFAOYSA-N 0 0 285.372 2.297 50 0 CEAARN Cc1cccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000023623216 361600250 /nfs/dbraw/zinc/60/02/50/361600250.db2.gz NDHQRUUDJGEJHH-CHWSQXEVSA-N 0 0 262.353 2.043 50 0 CEAARN COCc1ccc(C(=O)NCc2ccc(C)n2C)cc1 ZINC000023575041 361601158 /nfs/dbraw/zinc/60/11/58/361601158.db2.gz CZGQBBHYJWKDAX-UHFFFAOYSA-N 0 0 272.348 2.410 50 0 CEAARN C[C@@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)C[C@@H](C)O1 ZINC000023991062 361604482 /nfs/dbraw/zinc/60/44/82/361604482.db2.gz FMVPEFZJKAXELR-GHMZBOCLSA-N 0 0 291.326 2.485 50 0 CEAARN COc1ccc(CCNc2cc(Cl)nc(N)n2)cc1 ZINC000024056243 361606207 /nfs/dbraw/zinc/60/62/07/361606207.db2.gz QNINFXVNZCPXPT-UHFFFAOYSA-N 0 0 278.743 2.375 50 0 CEAARN CN(Cc1ccc(F)cc1F)c1cnn(C)c(=O)c1Cl ZINC000024207759 361607877 /nfs/dbraw/zinc/60/78/77/361607877.db2.gz JMXWWJIVOXYPIZ-UHFFFAOYSA-N 0 0 299.708 2.348 50 0 CEAARN O=S(=O)(Cc1ccccc1)NC(C1CC1)C1CC1 ZINC000024475385 361610500 /nfs/dbraw/zinc/61/05/00/361610500.db2.gz RNONLSJMCKPFAC-UHFFFAOYSA-N 0 0 265.378 2.295 50 0 CEAARN CCc1ccc(-c2cc(NC(C)=O)c(=O)[nH]n2)cc1 ZINC000020096068 361578737 /nfs/dbraw/zinc/57/87/37/361578737.db2.gz NLISXAKPRFJGHJ-UHFFFAOYSA-N 0 0 257.293 2.370 50 0 CEAARN Cn1cc(-c2cc(C(F)(F)F)c3cnn(C)c3n2)cn1 ZINC000020604968 361583557 /nfs/dbraw/zinc/58/35/57/361583557.db2.gz KCCXIXVAKQMIRO-UHFFFAOYSA-N 0 0 281.241 2.388 50 0 CEAARN Oc1ccc2c(c1)[C@@H]1CCCC[C@@]1(N1CCOCC1)O2 ZINC000020842277 361584517 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/nfs/dbraw/zinc/62/35/94/361623594.db2.gz PUFKMVJTCZQHCY-UHFFFAOYSA-N 0 0 256.305 2.445 50 0 CEAARN CCCNC(=O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000026877899 361645970 /nfs/dbraw/zinc/64/59/70/361645970.db2.gz ZTWUUWXFOZWFQI-KRWDZBQOSA-N 0 0 283.375 2.287 50 0 CEAARN Cc1noc(C)c1S(=O)(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000026860787 361646289 /nfs/dbraw/zinc/64/62/89/361646289.db2.gz CYWFIJLUHZJOIV-BXKDBHETSA-N 0 0 286.397 2.491 50 0 CEAARN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)s2)[C@@H](C)CO1 ZINC000028058092 361666760 /nfs/dbraw/zinc/66/67/60/361666760.db2.gz BOQFAFHBPZAUDX-YUMQZZPRSA-N 0 0 295.813 2.199 50 0 CEAARN Cc1nsc(NC(=O)COc2cccc(C)c2C)n1 ZINC000027664476 361657035 /nfs/dbraw/zinc/65/70/35/361657035.db2.gz LIJMNVYEPAJRGE-UHFFFAOYSA-N 0 0 277.349 2.481 50 0 CEAARN CC(C)=CC(=O)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000027827983 361658517 /nfs/dbraw/zinc/65/85/17/361658517.db2.gz GHKWDSBDXUKQJR-UHFFFAOYSA-N 0 0 290.338 2.076 50 0 CEAARN Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)s1 ZINC000028327482 361672001 /nfs/dbraw/zinc/67/20/01/361672001.db2.gz ZRLZJASLEFNLQR-ONGXEEELSA-N 0 0 289.422 2.211 50 0 CEAARN CCOCCCNC(=O)c1cccc(Cn2cccn2)c1 ZINC000028575900 361673503 /nfs/dbraw/zinc/67/35/03/361673503.db2.gz ILCYJSTVPMTZTB-UHFFFAOYSA-N 0 0 287.363 2.088 50 0 CEAARN Cc1ccc(Cn2ccc(NC(=O)c3cnccn3)n2)cc1 ZINC000028573468 361673988 /nfs/dbraw/zinc/67/39/88/361673988.db2.gz KNFXQTVQMKBSGA-UHFFFAOYSA-N 0 0 293.330 2.282 50 0 CEAARN Cc1ccc(NS(=O)(=O)N2CCCCC2)cc1C ZINC000028580443 361675323 /nfs/dbraw/zinc/67/53/23/361675323.db2.gz PZKZYDBTXMJACS-UHFFFAOYSA-N 0 0 268.382 2.446 50 0 CEAARN CCn1ncc(C(=O)NCc2ccc(F)cc2)c1C ZINC000028576955 361675448 /nfs/dbraw/zinc/67/54/48/361675448.db2.gz VVISRLHBGCMOCU-UHFFFAOYSA-N 0 0 261.300 2.281 50 0 CEAARN O=c1c2sccc2ncn1C[C@@H](O)c1ccccc1F ZINC000028914889 361678146 /nfs/dbraw/zinc/67/81/46/361678146.db2.gz LZGALULUSSVINY-GFCCVEGCSA-N 0 0 290.319 2.331 50 0 CEAARN COc1ccccc1CNC(=O)c1ccc(N(C)C)nc1 ZINC000028843435 361678576 /nfs/dbraw/zinc/67/85/76/361678576.db2.gz 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2.101 50 0 CEAARN Cc1nn(C)c(C)c1/C=C/C(=O)NCc1cccs1 ZINC000031817869 361720288 /nfs/dbraw/zinc/72/02/88/361720288.db2.gz YTUNKSJBEVWYKP-VOTSOKGWSA-N 0 0 275.377 2.428 50 0 CEAARN COC(=O)c1ccc([C@H](C)Sc2nnc(N)s2)o1 ZINC000031840675 361720298 /nfs/dbraw/zinc/72/02/98/361720298.db2.gz AEJDUWIVFYFRGU-YFKPBYRVSA-N 0 0 285.350 2.353 50 0 CEAARN COc1cc(-c2ccnc(NC#N)n2)cc(OC)c1OC ZINC000032092954 361725410 /nfs/dbraw/zinc/72/54/10/361725410.db2.gz FFGJIIJHRAOJFP-UHFFFAOYSA-N 0 0 286.291 2.062 50 0 CEAARN COc1ccc(-c2csc3nc(N)nn23)c(OC)c1 ZINC000031891265 361723164 /nfs/dbraw/zinc/72/31/64/361723164.db2.gz UWRDETQEQNGYBP-UHFFFAOYSA-N 0 0 276.321 2.057 50 0 CEAARN Cc1cccc(C(=O)NCCNC(=O)c2ccco2)c1C ZINC000031048344 361707378 /nfs/dbraw/zinc/70/73/78/361707378.db2.gz RULQLYUBACKQAX-UHFFFAOYSA-N 0 0 286.331 2.056 50 0 CEAARN CCC[C@@H](C)NC(=O)N(C)Cc1ccc(C(=O)NC)cc1 ZINC000031103558 361707943 /nfs/dbraw/zinc/70/79/43/361707943.db2.gz OAOYENGHYIYYGP-GFCCVEGCSA-N 0 0 291.395 2.376 50 0 CEAARN CNC(=O)Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000031203807 361708904 /nfs/dbraw/zinc/70/89/04/361708904.db2.gz OUTSDCIGGIDHFS-GFCCVEGCSA-N 0 0 272.348 2.270 50 0 CEAARN C[C@@H](Cn1cccn1)NC(=O)c1ccc(Br)o1 ZINC000031392157 361712052 /nfs/dbraw/zinc/71/20/52/361712052.db2.gz CQRMCHPPQHGDGX-QMMMGPOBSA-N 0 0 298.140 2.057 50 0 CEAARN CNC(=O)CSCc1csc(-c2ccco2)n1 ZINC000031420595 361712371 /nfs/dbraw/zinc/71/23/71/361712371.db2.gz MZCJQYCJNSDGLS-UHFFFAOYSA-N 0 0 268.363 2.382 50 0 CEAARN O=C(NCCNc1cnccn1)c1ccc(F)cc1Cl ZINC000031597678 361714944 /nfs/dbraw/zinc/71/49/44/361714944.db2.gz FTTCWMIBGWHBBP-UHFFFAOYSA-N 0 0 294.717 2.111 50 0 CEAARN COCCN(C(=O)OC(C)(C)C)c1ccncc1 ZINC000084199920 363802025 /nfs/dbraw/zinc/80/20/25/363802025.db2.gz CQKBDJMWRQOKKC-UHFFFAOYSA-N 0 0 252.314 2.470 50 0 CEAARN COC(=O)C(C)(C)CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000084325975 363808735 /nfs/dbraw/zinc/80/87/35/363808735.db2.gz JPNJAHUXBHOEIL-STQMWFEESA-N 0 0 293.338 2.245 50 0 CEAARN 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/nfs/dbraw/zinc/16/33/17/375163317.db2.gz YMRHHYUYOOROFC-HIFRSBDPSA-N 0 0 277.364 2.416 50 0 CEAARN Cc1cc(CCCNC(=O)COc2ccccc2C)on1 ZINC000253473170 189993604 /nfs/dbraw/zinc/99/36/04/189993604.db2.gz RXUONUGSHDTJBE-UHFFFAOYSA-N 0 0 288.347 2.419 50 0 CEAARN CCO[C@H]1C[C@](CO)(NC(=O)c2ccoc2CC)C1(C)C ZINC000280808775 375329300 /nfs/dbraw/zinc/32/93/00/375329300.db2.gz MVOYLXPOKMJFRW-XJKSGUPXSA-N 0 0 295.379 2.138 50 0 CEAARN CCNC(=O)N1CC[C@H](c2noc(-c3cccs3)n2)C1 ZINC000253473217 189993546 /nfs/dbraw/zinc/99/35/46/189993546.db2.gz SRFJSOGGTKXNSC-VIFPVBQESA-N 0 0 292.364 2.317 50 0 CEAARN Cn1cc(CCC(=O)Nc2ccc3oc(CO)cc3c2)cn1 ZINC000408518266 375506530 /nfs/dbraw/zinc/50/65/30/375506530.db2.gz YGOOPAXCZSLGNS-UHFFFAOYSA-N 0 0 299.330 2.230 50 0 CEAARN CC(=O)N(C)CCc1nc(-c2ccncc2F)cs1 ZINC000408523389 375509253 /nfs/dbraw/zinc/50/92/53/375509253.db2.gz JUHMIMKZDCPMEH-UHFFFAOYSA-N 0 0 279.340 2.365 50 0 CEAARN Cc1cc(C(=O)N[C@H]2CCOC(C)(C)C2)cnc1F ZINC000408523113 375509390 /nfs/dbraw/zinc/50/93/90/375509390.db2.gz PAAXXNAEXWCBOA-NSHDSACASA-N 0 0 266.316 2.217 50 0 CEAARN CCOC[C@@H]1CCN(C(=O)c2onc3c2CCCC3)C1 ZINC000408522430 375510213 /nfs/dbraw/zinc/51/02/13/375510213.db2.gz IZGSMLOCKYTEPI-LLVKDONJSA-N 0 0 278.352 2.052 50 0 CEAARN C[C@@H]1CN(c2ncnc3scnc32)C[C@@H](C2CC2)O1 ZINC000408524434 375510788 /nfs/dbraw/zinc/51/07/88/375510788.db2.gz ULRULRPMLKFTRU-SCZZXKLOSA-N 0 0 276.365 2.090 50 0 CEAARN CCCc1ccc(N2C[C@H](C)O[C@@H](C3CC3)C2)nn1 ZINC000408524768 375511453 /nfs/dbraw/zinc/51/14/53/375511453.db2.gz YYRLONZCVWHWSD-SMDDNHRTSA-N 0 0 261.369 2.433 50 0 CEAARN Cc1nn(CC[C@H]2CCCO2)c(C)c1[C@H]1CCCC(=O)N1 ZINC000408525366 375511918 /nfs/dbraw/zinc/51/19/18/375511918.db2.gz YKSNTJPEEXSKJJ-ZIAGYGMSSA-N 0 0 291.395 2.410 50 0 CEAARN O=C(C1CCC1)N1CCC(Cc2nc(C3CC3)n[nH]2)CC1 ZINC000409419490 375521470 /nfs/dbraw/zinc/52/14/70/375521470.db2.gz AKPHRGVYDKVKTD-UHFFFAOYSA-N 0 0 288.395 2.263 50 0 CEAARN CC(C)CC(=O)NC[C@@]12CCCC=C1N(C)C(=O)CC2 ZINC000409419635 375522623 /nfs/dbraw/zinc/52/26/23/375522623.db2.gz QQPNMBVTMFFZQU-INIZCTEOSA-N 0 0 278.396 2.455 50 0 CEAARN O=C(c1ccccc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000257175704 190005833 /nfs/dbraw/zinc/00/58/33/190005833.db2.gz BKEWGPFLHGWAOD-HNNXBMFYSA-N 0 0 268.316 2.375 50 0 CEAARN CCCCN(CC(N)=O)c1ccnc(C(F)(F)F)c1 ZINC000283720532 375751881 /nfs/dbraw/zinc/75/18/81/375751881.db2.gz GDFOPUSQUJVHRD-UHFFFAOYSA-N 0 0 275.274 2.192 50 0 CEAARN CN(Cc1ccc(Oc2ccccc2)o1)[C@@H]1COC[C@H]1O ZINC000289565355 376405063 /nfs/dbraw/zinc/40/50/63/376405063.db2.gz JGOKLQFMSPHMFW-HUUCEWRRSA-N 0 0 289.331 2.263 50 0 CEAARN CC(C)[C@H]1CCO[C@H]1C(=O)NCc1ccn2ccnc2c1 ZINC000288280404 376375653 /nfs/dbraw/zinc/37/56/53/376375653.db2.gz GTARZHHEHQHXML-UKRRQHHQSA-N 0 0 287.363 2.012 50 0 CEAARN COC(=O)c1ccc2c(c1)NC(=O)[C@@H](CC(C)C)N2 ZINC000015827507 284575060 /nfs/dbraw/zinc/57/50/60/284575060.db2.gz CDDHZARMACGUFF-GFCCVEGCSA-N 0 0 262.309 2.252 50 0 CEAARN C[C@@H](C(=O)N1CCN[C@H](c2ccncc2)C1)c1ccccc1 ZINC000334310857 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/nfs/dbraw/zinc/88/67/39/172886739.db2.gz CJGOVYAYBKKKMP-UHFFFAOYSA-N 0 0 264.350 2.232 50 0 CEAARN NC(=S)c1ccc(C(=O)NCC2CCCC2)cc1 ZINC000037258924 173068900 /nfs/dbraw/zinc/06/89/00/173068900.db2.gz QDKIEZDFBWLDKN-UHFFFAOYSA-N 0 0 262.378 2.241 50 0 CEAARN O=C(NCCc1ccc(O)cc1)c1[nH]nc2ccccc21 ZINC000038031894 174027296 /nfs/dbraw/zinc/02/72/96/174027296.db2.gz VZZCDUBQPRKADU-UHFFFAOYSA-N 0 0 281.315 2.241 50 0 CEAARN Cc1ccc(NC(=O)NC2CC2)cc1N1CCCC1=O ZINC000038489768 174143168 /nfs/dbraw/zinc/14/31/68/174143168.db2.gz LHAWXTMEDFRLKC-UHFFFAOYSA-N 0 0 273.336 2.406 50 0 CEAARN COCCNC(=O)Nc1cc(OC)cc2cccnc21 ZINC000038490537 174143223 /nfs/dbraw/zinc/14/32/23/174143223.db2.gz YWYAXOWOQNPPCH-UHFFFAOYSA-N 0 0 275.308 2.011 50 0 CEAARN COc1cc(OS(C)(=O)=O)c(Cl)cc1Cl ZINC000038537088 174144813 /nfs/dbraw/zinc/14/48/13/174144813.db2.gz ZNQMCDYNUPQZNK-UHFFFAOYSA-N 0 0 271.121 2.340 50 0 CEAARN CN(NC(=S)Nc1ccccc1)c1ccccn1 ZINC000038777789 174155262 /nfs/dbraw/zinc/15/52/62/174155262.db2.gz HVXCQBKJULTEME-UHFFFAOYSA-N 0 0 258.350 2.419 50 0 CEAARN CCOC(=O)c1cn2c(n1)c(NC)nc1ccccc12 ZINC000039037890 174161693 /nfs/dbraw/zinc/16/16/93/174161693.db2.gz QJHYTDUOTFAMND-UHFFFAOYSA-N 0 0 270.292 2.101 50 0 CEAARN CC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000039918274 174174731 /nfs/dbraw/zinc/17/47/31/174174731.db2.gz QGBXIDBJZQZTKX-SNVBAGLBSA-N 0 0 278.327 2.093 50 0 CEAARN COc1ccc(SCC(=O)N2CCO[C@@H](C)C2)cc1 ZINC000040024233 174183690 /nfs/dbraw/zinc/18/36/90/174183690.db2.gz MJGYZQRDTCGHRD-NSHDSACASA-N 0 0 281.377 2.035 50 0 CEAARN C[C@@H](OCc1ccccc1)C(=O)NCc1ccccn1 ZINC000040088780 174188584 /nfs/dbraw/zinc/18/85/84/174188584.db2.gz IDSLIJOSINQPBL-CYBMUJFWSA-N 0 0 270.332 2.303 50 0 CEAARN CC(=O)Nc1nc(C(=O)N2CCCC[C@H]2C)cs1 ZINC000040088771 174188774 /nfs/dbraw/zinc/18/87/74/174188774.db2.gz MZCOWMLEBOREHR-MRVPVSSYSA-N 0 0 267.354 2.116 50 0 CEAARN CN(C)c1ncccc1CNC(=O)C[C@@H]1C=CCC1 ZINC000040094452 174190223 /nfs/dbraw/zinc/19/02/23/174190223.db2.gz IZJYPRUNLYNGJU-GFCCVEGCSA-N 0 0 259.353 2.120 50 0 CEAARN CN(CCCNC(=O)c1cccs1)CC(F)(F)F ZINC000040107496 174191993 /nfs/dbraw/zinc/19/19/93/174191993.db2.gz TZTDKARPSOWENS-UHFFFAOYSA-N 0 0 280.315 2.362 50 0 CEAARN Cc1cnc(C(=O)NC[C@H](C)N(C)c2ccccc2)cn1 ZINC000040108010 174192008 /nfs/dbraw/zinc/19/20/08/174192008.db2.gz QGTIMMXADCLHHF-ZDUSSCGKSA-N 0 0 284.363 2.040 50 0 CEAARN O=C(Cn1ccc2ccc(F)cc21)Nc1nncs1 ZINC000040266238 174217650 /nfs/dbraw/zinc/21/76/50/174217650.db2.gz ITCVTUGAQDIXGJ-UHFFFAOYSA-N 0 0 276.296 2.271 50 0 CEAARN O=C(NC1CCCC1)c1csc(NC2CC2)n1 ZINC000040268894 174218606 /nfs/dbraw/zinc/21/86/06/174218606.db2.gz YZKOXDFOORHWJM-UHFFFAOYSA-N 0 0 251.355 2.390 50 0 CEAARN COC(=O)c1nc2ccccn2c1NCc1ccco1 ZINC000040285349 174219080 /nfs/dbraw/zinc/21/90/80/174219080.db2.gz MWEQOVQKUCPKEQ-UHFFFAOYSA-N 0 0 271.276 2.326 50 0 CEAARN CCn1cc(-c2nn3c(nnc3-c3cccnc3)s2)cn1 ZINC000040286435 174219119 /nfs/dbraw/zinc/21/91/19/174219119.db2.gz KNJIQXMNLKLFFJ-UHFFFAOYSA-N 0 0 297.347 2.131 50 0 CEAARN CCSc1nnc(S[C@@H]2C[C@@H](C)OC2=O)s1 ZINC000040462996 174272133 /nfs/dbraw/zinc/27/21/33/174272133.db2.gz XONMIFQFYURFIQ-PHDIDXHHSA-N 0 0 276.408 2.446 50 0 CEAARN C[C@H]1C[C@@H](Sc2nnc(C3CC3)n2C2CC2)C(=O)O1 ZINC000040463401 174272647 /nfs/dbraw/zinc/27/26/47/174272647.db2.gz AHGOMVMVYSIHCK-OIBJUYFYSA-N 0 0 279.365 2.287 50 0 CEAARN CC[C@H](C)NC(=O)COc1ccc(-c2noc(C)n2)cc1 ZINC000040464725 174273943 /nfs/dbraw/zinc/27/39/43/174273943.db2.gz WRHVFDLWYFVGKY-JTQLQIEISA-N 0 0 289.335 2.339 50 0 CEAARN O=C(CCN1CCSC1=O)N1CCc2ccccc21 ZINC000040468126 174276330 /nfs/dbraw/zinc/27/63/30/174276330.db2.gz VMZAFQZHEWRQDT-UHFFFAOYSA-N 0 0 276.361 2.135 50 0 CEAARN CC[C@H](C)NC(=O)c1ccccc1S(=O)(=O)CC ZINC000040468973 174277674 /nfs/dbraw/zinc/27/76/74/174277674.db2.gz FWJAXWUEUJBRPQ-JTQLQIEISA-N 0 0 269.366 2.009 50 0 CEAARN O=C(NCc1ccc2c(c1)OCO2)Nc1cccnc1 ZINC000040474208 174282163 /nfs/dbraw/zinc/28/21/63/174282163.db2.gz APLMATMVSGICEL-UHFFFAOYSA-N 0 0 271.276 2.132 50 0 CEAARN COC1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000040477588 174282598 /nfs/dbraw/zinc/28/25/98/174282598.db2.gz XDGQQZGNLHTBTJ-UHFFFAOYSA-N 0 0 259.349 2.426 50 0 CEAARN CC(C)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000040487624 174289985 /nfs/dbraw/zinc/28/99/85/174289985.db2.gz YHKNNFUWSRFIJO-UHFFFAOYSA-N 0 0 289.379 2.455 50 0 CEAARN O=C(c1ccc(=O)[nH]c1)N(Cc1ccsc1)C1CC1 ZINC000040492211 174292940 /nfs/dbraw/zinc/29/29/40/174292940.db2.gz XEIVAAJXILGPNN-UHFFFAOYSA-N 0 0 274.345 2.241 50 0 CEAARN CC(=O)N(C)CC(=O)N[C@@H](C)c1cc(C)sc1C ZINC000040509370 174303655 /nfs/dbraw/zinc/30/36/55/174303655.db2.gz ZQLKYCMLNGNUJW-VIFPVBQESA-N 0 0 268.382 2.020 50 0 CEAARN Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2)n(C)n1 ZINC000040512251 174304980 /nfs/dbraw/zinc/30/49/80/174304980.db2.gz BCWARGJXRNONCP-UHFFFAOYSA-N 0 0 281.319 2.167 50 0 CEAARN Cc1ccc2c(c1)S[C@H](C(=O)Nc1cn[nH]c1)C2 ZINC000040512198 174305195 /nfs/dbraw/zinc/30/51/95/174305195.db2.gz YQUDPERJWOIZIF-LBPRGKRZSA-N 0 0 259.334 2.374 50 0 CEAARN Cn1cnnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000040513419 174305349 /nfs/dbraw/zinc/30/53/49/174305349.db2.gz FIBWYAOGZDRHHP-OAHLLOKOSA-N 0 0 298.390 2.154 50 0 CEAARN C[C@@H](NC(=O)CCn1ccccc1=O)c1cccs1 ZINC000040512658 174305513 /nfs/dbraw/zinc/30/55/13/174305513.db2.gz CLQREMJOGJQAES-LLVKDONJSA-N 0 0 276.361 2.177 50 0 CEAARN Cc1ccccc1C(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000040513418 174305619 /nfs/dbraw/zinc/30/56/19/174305619.db2.gz SRPLHBMOEDVNJK-CYBMUJFWSA-N 0 0 284.363 2.143 50 0 CEAARN COc1ccccc1[C@@H](O)CNC(=O)c1ccccc1 ZINC000040515500 174306639 /nfs/dbraw/zinc/30/66/39/174306639.db2.gz UNPLDWWUVWRUAI-AWEZNQCLSA-N 0 0 271.316 2.159 50 0 CEAARN C[C@@H](c1nnnn1-c1ccccc1)N(C)Cc1ccco1 ZINC000040515862 174307159 /nfs/dbraw/zinc/30/71/59/174307159.db2.gz OREZLGGTUFMXDG-LBPRGKRZSA-N 0 0 283.335 2.448 50 0 CEAARN CCOC(=O)NCCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000040521039 174310112 /nfs/dbraw/zinc/31/01/12/174310112.db2.gz NECBQMWILZIQDC-QWHCGFSZSA-N 0 0 282.384 2.304 50 0 CEAARN 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C[C@@H]1C[C@H](Sc2nncn2-c2ccccc2)C(=O)O1 ZINC000009378987 170375523 /nfs/dbraw/zinc/37/55/23/170375523.db2.gz UUAJDPQOJDNGJG-KOLCDFICSA-N 0 0 275.333 2.063 50 0 CEAARN C[C@H](NC(=O)c1cccn1C)c1nc2ccccc2[nH]1 ZINC000009466811 170377616 /nfs/dbraw/zinc/37/76/16/170377616.db2.gz SYZLJIOJNDSYSK-JTQLQIEISA-N 0 0 268.320 2.392 50 0 CEAARN Cc1ccc(C2=N/C(=C\c3cnn(C)c3)C(=O)O2)cc1C ZINC000009497640 170378942 /nfs/dbraw/zinc/37/89/42/170378942.db2.gz BNKZAUBGRRNYQS-AUWJEWJLSA-N 0 0 281.315 2.381 50 0 CEAARN Cc1ccc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)nc1 ZINC000009602274 170382756 /nfs/dbraw/zinc/38/27/56/170382756.db2.gz MPUHEAZKRQMTFM-UHFFFAOYSA-N 0 0 297.358 2.375 50 0 CEAARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(=O)[nH]c1 ZINC000009691949 170384486 /nfs/dbraw/zinc/38/44/86/170384486.db2.gz MNPYYXGQJKEOLA-UHFFFAOYSA-N 0 0 296.248 2.324 50 0 CEAARN C[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009709797 170385004 /nfs/dbraw/zinc/38/50/04/170385004.db2.gz JTSHZDQGTTXJHG-ZANVPECISA-N 0 0 283.335 2.270 50 0 CEAARN Cc1ccc(NC(=[NH2+])Nc2nc3c(c(=O)[n-]2)CCC3)c(C)c1 ZINC000010156516 170399142 /nfs/dbraw/zinc/39/91/42/170399142.db2.gz FLDVSAQBUHFUIV-UHFFFAOYSA-N 0 0 297.362 2.334 50 0 CEAARN CC(=O)NC[C@@H]1CN(c2ccc(C(C)C)cc2)C(=O)O1 ZINC000011524425 170419418 /nfs/dbraw/zinc/41/94/18/170419418.db2.gz XLZLIRFYWVMURC-CQSZACIVSA-N 0 0 276.336 2.271 50 0 CEAARN COC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000012383530 170483134 /nfs/dbraw/zinc/48/31/34/170483134.db2.gz VZGPBDOEGKTRJI-VHSXEESVSA-N 0 0 271.744 2.258 50 0 CEAARN COC(=O)c1ccc(C(=O)Nc2ncccc2C)cc1 ZINC000012598784 170499749 /nfs/dbraw/zinc/49/97/49/170499749.db2.gz AZIWISHOZXCKQH-UHFFFAOYSA-N 0 0 270.288 2.429 50 0 CEAARN CCCC(=O)NCc1ccc(NC(=O)C2CC2)cc1 ZINC000012614998 170500511 /nfs/dbraw/zinc/50/05/11/170500511.db2.gz YNJUULJUXJCGHP-UHFFFAOYSA-N 0 0 260.337 2.451 50 0 CEAARN NC(=O)CN(C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000012748076 170507202 /nfs/dbraw/zinc/50/72/02/170507202.db2.gz HCQJZCQSWKXYGR-UHFFFAOYSA-N 0 0 288.734 2.472 50 0 CEAARN Cc1cccc(NC(=O)CNC(=O)c2ccncc2)c1C ZINC000012806123 170512227 /nfs/dbraw/zinc/51/22/27/170512227.db2.gz WXRIGXBALVBFGG-UHFFFAOYSA-N 0 0 283.331 2.067 50 0 CEAARN O=C(NCc1ccccc1OC(F)F)c1cnccn1 ZINC000012825815 170513683 /nfs/dbraw/zinc/51/36/83/170513683.db2.gz VNCVEQMVFWGMIH-UHFFFAOYSA-N 0 0 279.246 2.008 50 0 CEAARN COc1ccc(NC(=O)NC2CCC(O)CC2)cc1 ZINC000012867141 170515655 /nfs/dbraw/zinc/51/56/55/170515655.db2.gz ZNDLUPXSEYDSSF-UHFFFAOYSA-N 0 0 264.325 2.120 50 0 CEAARN COc1cc2c(cc1OC)CN(C(=O)NCC(C)C)CC2 ZINC000012896847 170517691 /nfs/dbraw/zinc/51/76/91/170517691.db2.gz BRTAVIWZDXBRMX-UHFFFAOYSA-N 0 0 292.379 2.428 50 0 CEAARN CCN(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C1CC1 ZINC000012906929 170518725 /nfs/dbraw/zinc/51/87/25/170518725.db2.gz LOJTYBIVKNIMMK-GFCCVEGCSA-N 0 0 276.311 2.262 50 0 CEAARN C[C@H](CC(=O)N1CCC[C@@H](C)C1)NC(=O)c1ccccc1 ZINC000012918150 170520083 /nfs/dbraw/zinc/52/00/83/170520083.db2.gz CGHZDTXLGDJPEZ-ZIAGYGMSSA-N 0 0 288.391 2.454 50 0 CEAARN Cc1ccc(SCc2nc(N)nc(N(C)C)n2)c(C)c1 ZINC000012933532 170521847 /nfs/dbraw/zinc/52/18/47/170521847.db2.gz LKBUFICLDIEALS-UHFFFAOYSA-N 0 0 289.408 2.429 50 0 CEAARN CCC(CC)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000012982771 170525332 /nfs/dbraw/zinc/52/53/32/170525332.db2.gz RYPWFXXAWRXETO-UHFFFAOYSA-N 0 0 258.321 2.447 50 0 CEAARN O=S(=O)(NCCc1ccsc1)c1ccccc1 ZINC000013725201 170582340 /nfs/dbraw/zinc/58/23/40/170582340.db2.gz DJRHODVPBFAPBS-UHFFFAOYSA-N 0 0 267.375 2.269 50 0 CEAARN Fc1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1 ZINC000013784693 170593888 /nfs/dbraw/zinc/59/38/88/170593888.db2.gz CBQXEJGVFLDGDI-UHFFFAOYSA-N 0 0 296.367 2.361 50 0 CEAARN COc1ccccc1OCc1ccc(C(N)=O)cc1 ZINC000014216765 170625624 /nfs/dbraw/zinc/62/56/24/170625624.db2.gz VCPDIVWPNFHKCK-UHFFFAOYSA-N 0 0 257.289 2.373 50 0 CEAARN O=C(NCCc1ccc(-n2cccn2)cc1)c1ccncc1 ZINC000014416080 170633738 /nfs/dbraw/zinc/63/37/38/170633738.db2.gz MUWBGNZMILANPH-UHFFFAOYSA-N 0 0 292.342 2.240 50 0 CEAARN Cc1nn(C)c2nc(C)cc(C(=O)NCCC(C)C)c12 ZINC000014899020 170647968 /nfs/dbraw/zinc/64/79/68/170647968.db2.gz KGOUBPQULIZMDG-UHFFFAOYSA-N 0 0 274.368 2.361 50 0 CEAARN CSCCC(=O)N1CCO[C@@H](Cc2ccc(F)cc2)C1 ZINC000014973128 170650694 /nfs/dbraw/zinc/65/06/94/170650694.db2.gz KLRMXNIPEVAZNY-AWEZNQCLSA-N 0 0 297.395 2.349 50 0 CEAARN CCOc1c(=O)c(=O)c1Nc1cccc(Br)c1 ZINC000015768335 170676746 /nfs/dbraw/zinc/67/67/46/170676746.db2.gz VFHRIIVWOBSOAE-UHFFFAOYSA-N 0 0 296.120 2.187 50 0 CEAARN O=c1c2ccccc2c(-c2cccs2)nn1CCO ZINC000016046700 170686412 /nfs/dbraw/zinc/68/64/12/170686412.db2.gz ZUBVVPMTFYOUFO-UHFFFAOYSA-N 0 0 272.329 2.117 50 0 CEAARN Cc1cc(CNC(=O)c2cnn(Cc3ccccc3)c2)no1 ZINC000019606466 170830072 /nfs/dbraw/zinc/83/00/72/170830072.db2.gz PYEKWLXPDIMHPE-UHFFFAOYSA-N 0 0 296.330 2.158 50 0 CEAARN Cc1ccncc1C(=O)NCCCc1ccccn1 ZINC000019745851 170851970 /nfs/dbraw/zinc/85/19/70/170851970.db2.gz PACYNKPYOXEUKS-UHFFFAOYSA-N 0 0 255.321 2.148 50 0 CEAARN CCCCC[C@H](C)NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000020427034 171192918 /nfs/dbraw/zinc/19/29/18/171192918.db2.gz NGFJJKGQXBXGAO-LBPRGKRZSA-N 0 0 287.367 2.361 50 0 CEAARN O=C(C1CCC1)N1CCN(CCc2ccccc2)CC1 ZINC000020522136 171235721 /nfs/dbraw/zinc/23/57/21/171235721.db2.gz IFBLTTHFSOCKNE-UHFFFAOYSA-N 0 0 272.392 2.173 50 0 CEAARN Cn1cnc(-c2noc(Cc3ccc(F)c(F)c3)n2)c1 ZINC000020598452 171266209 /nfs/dbraw/zinc/26/62/09/171266209.db2.gz JZDONBUVWRADOM-UHFFFAOYSA-N 0 0 276.246 2.339 50 0 CEAARN COc1ccc(C2=NO[C@@H](C(=O)Nc3ccncc3)C2)cc1 ZINC000020602415 171266788 /nfs/dbraw/zinc/26/67/88/171266788.db2.gz QYZJJEATOIMQEK-OAHLLOKOSA-N 0 0 297.314 2.222 50 0 CEAARN CCOC(=O)c1n[nH]cc1NC(=O)c1csc(CC)c1 ZINC000020607221 171267193 /nfs/dbraw/zinc/26/71/93/171267193.db2.gz BZFJRXCTUJUQCL-UHFFFAOYSA-N 0 0 293.348 2.463 50 0 CEAARN Cc1ccn(C[C@@H](C)CNC(=O)NC2CCCCC2)n1 ZINC000020605977 171267227 /nfs/dbraw/zinc/26/72/27/171267227.db2.gz JHYAWDSUQBCCRA-LBPRGKRZSA-N 0 0 278.400 2.460 50 0 CEAARN O=S1(=O)N[C@H](c2ccccc2F)Nc2ccccc21 ZINC000020618463 171267889 /nfs/dbraw/zinc/26/78/89/171267889.db2.gz FWQFDDJFIVCSPA-CYBMUJFWSA-N 0 0 278.308 2.228 50 0 CEAARN CCc1nc2ccccc2n1CC(=O)NCc1cccnc1 ZINC000020898636 171278723 /nfs/dbraw/zinc/27/87/23/171278723.db2.gz VRKYUSNWSHLVLQ-UHFFFAOYSA-N 0 0 294.358 2.310 50 0 CEAARN NC(=O)[C@@H](OC(=O)Cc1ccsc1)c1ccccc1 ZINC000021322788 171302535 /nfs/dbraw/zinc/30/25/35/171302535.db2.gz GWQLRSGWCQOJSG-ZDUSSCGKSA-N 0 0 275.329 2.060 50 0 CEAARN CCc1cc(C(=O)N2CCc3ccccc3C2)no1 ZINC000021366061 171303589 /nfs/dbraw/zinc/30/35/89/171303589.db2.gz MQQPAHHRUWCPJK-UHFFFAOYSA-N 0 0 256.305 2.436 50 0 CEAARN O=C(CSc1ccc(F)c(Cl)c1)N1CCNC1=O ZINC000021410768 171303800 /nfs/dbraw/zinc/30/38/00/171303800.db2.gz SLBUXJRNPLVBOW-UHFFFAOYSA-N 0 0 288.731 2.123 50 0 CEAARN CCn1ccc(C(=O)N2CCC[C@@H]2c2cc(C)on2)n1 ZINC000021718814 171319816 /nfs/dbraw/zinc/31/98/16/171319816.db2.gz PVKJNNHCCCNYFF-CYBMUJFWSA-N 0 0 274.324 2.177 50 0 CEAARN O=c1ccccn1Cc1cc2c(c(Cl)c1)OCO2 ZINC000021842203 171335191 /nfs/dbraw/zinc/33/51/91/171335191.db2.gz CVSXAXVHTILSMV-UHFFFAOYSA-N 0 0 263.680 2.279 50 0 CEAARN O=C(Nc1cccc2nsnc21)c1ccccn1 ZINC000021883194 171335917 /nfs/dbraw/zinc/33/59/17/171335917.db2.gz QQCAWRQIAGUJCH-UHFFFAOYSA-N 0 0 256.290 2.339 50 0 CEAARN Fc1ccccc1-c1noc(NC[C@H]2CCCO2)n1 ZINC000021922299 171337148 /nfs/dbraw/zinc/33/71/48/171337148.db2.gz DZEFLLYHHUASJV-SECBINFHSA-N 0 0 263.272 2.467 50 0 CEAARN COC(=O)[C@H](COC(C)(C)C)NCc1ccccc1 ZINC000022015889 171349558 /nfs/dbraw/zinc/34/95/58/171349558.db2.gz QEWWTCAKOLMBDY-ZDUSSCGKSA-N 0 0 265.353 2.133 50 0 CEAARN Nc1nc(Cl)nc(Nc2ccccc2OC(F)F)n1 ZINC000022016253 171349825 /nfs/dbraw/zinc/34/98/25/171349825.db2.gz BBIOIWDLVAXTMO-UHFFFAOYSA-N 0 0 287.657 2.452 50 0 CEAARN Cn1ccc(NC(=O)CCC(=O)c2cccs2)n1 ZINC000022475680 171388922 /nfs/dbraw/zinc/38/89/22/171388922.db2.gz GUBDHAATVPUGPG-UHFFFAOYSA-N 0 0 263.322 2.083 50 0 CEAARN Cc1nnc(SCCC(=O)Nc2nccs2)s1 ZINC000022636573 171395231 /nfs/dbraw/zinc/39/52/31/171395231.db2.gz JTVAIAKAHLGZPH-UHFFFAOYSA-N 0 0 286.407 2.424 50 0 CEAARN COc1ccc(C(=O)NCCc2csc(C)n2)cc1 ZINC000022761570 171397629 /nfs/dbraw/zinc/39/76/29/171397629.db2.gz FAFBXIXEUGDTMC-UHFFFAOYSA-N 0 0 276.361 2.433 50 0 CEAARN O=C(Cc1ccc(Cl)cc1Cl)Nc1nc[nH]n1 ZINC000023142579 171414273 /nfs/dbraw/zinc/41/42/73/171414273.db2.gz NEOLHZDIFAOTFN-UHFFFAOYSA-N 0 0 271.107 2.293 50 0 CEAARN Cc1csc(=O)n1CCC(=O)NCCc1cccs1 ZINC000023791999 171427168 /nfs/dbraw/zinc/42/71/68/171427168.db2.gz BUXVBPNMMCUFGG-UHFFFAOYSA-N 0 0 296.417 2.029 50 0 CEAARN O=C(NCc1ccccc1)NCc1ccc2c(c1)OCCO2 ZINC000023995373 171429535 /nfs/dbraw/zinc/42/95/35/171429535.db2.gz XTRLGGALFYGVJZ-UHFFFAOYSA-N 0 0 298.342 2.457 50 0 CEAARN Cc1ccc(NC(=O)[C@H](C)N2CCO[C@H](C)C2)cc1F ZINC000024149660 171432401 /nfs/dbraw/zinc/43/24/01/171432401.db2.gz IGTKNMOHTCUPOO-NEPJUHHUSA-N 0 0 280.343 2.182 50 0 CEAARN CC(=O)Nc1cccc(C(=O)NCc2nc(C)cs2)c1 ZINC000024973615 171445358 /nfs/dbraw/zinc/44/53/58/171445358.db2.gz ARDKMVKPUSJOMI-UHFFFAOYSA-N 0 0 289.360 2.340 50 0 CEAARN CC(C)(C)C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000025890377 171467248 /nfs/dbraw/zinc/46/72/48/171467248.db2.gz UMHYDVRBELMJJN-UHFFFAOYSA-N 0 0 255.339 2.075 50 0 CEAARN CC(=O)Nc1cccc(N[C@H](C(N)=O)c2ccccc2)c1 ZINC000026158479 171473787 /nfs/dbraw/zinc/47/37/87/171473787.db2.gz GGIKWEDOELXGGP-HNNXBMFYSA-N 0 0 283.331 2.284 50 0 CEAARN Cc1ccccc1CCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000027361154 171515627 /nfs/dbraw/zinc/51/56/27/171515627.db2.gz BVJZXACTOUGAJS-DZGCQCFKSA-N 0 0 276.380 2.404 50 0 CEAARN C[C@H](OC(=O)Cc1cccc(F)c1)C(=O)NC1CCCC1 ZINC000028698963 171570112 /nfs/dbraw/zinc/57/01/12/171570112.db2.gz DFURDTNPADOFDM-NSHDSACASA-N 0 0 293.338 2.359 50 0 CEAARN Cc1noc2nc(C)cc(C(=O)Nc3ccncc3)c12 ZINC000028846459 171577548 /nfs/dbraw/zinc/57/75/48/171577548.db2.gz DTGPFZODITXLMR-UHFFFAOYSA-N 0 0 268.276 2.487 50 0 CEAARN Cc1nn(C)c(C)c1CCC(=O)Nc1cc(C)ccn1 ZINC000029701236 171607976 /nfs/dbraw/zinc/60/79/76/171607976.db2.gz CDCFGQHSXKQKDM-UHFFFAOYSA-N 0 0 272.352 2.312 50 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/nfs/dbraw/zinc/53/34/15/185533415.db2.gz CLPQHIQMHLCIGR-OAHLLOKOSA-N 0 0 296.374 2.186 50 0 CEAARN Cc1nc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)no1 ZINC000097112460 185538551 /nfs/dbraw/zinc/53/85/51/185538551.db2.gz SJSCQHUAJMVSPJ-JTQLQIEISA-N 0 0 299.334 2.203 50 0 CEAARN COCC(=O)Nc1nc(-c2cccs2)cs1 ZINC000057614210 362589662 /nfs/dbraw/zinc/58/96/62/362589662.db2.gz UIXSSGXHRQXXAV-UHFFFAOYSA-N 0 0 254.336 2.457 50 0 CEAARN CCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C ZINC000097141738 185545829 /nfs/dbraw/zinc/54/58/29/185545829.db2.gz BSSMFLBWQNZLGA-UHFFFAOYSA-N 0 0 298.427 2.497 50 0 CEAARN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cnccn1)C2 ZINC000097145970 185548816 /nfs/dbraw/zinc/54/88/16/185548816.db2.gz JGRUGCHTINZSHD-CYBMUJFWSA-N 0 0 269.304 2.036 50 0 CEAARN O=C(NCCc1ccco1)NC[C@H]1Cc2ccccc2O1 ZINC000058166111 362610280 /nfs/dbraw/zinc/61/02/80/362610280.db2.gz JURMBADVSKYUNK-CQSZACIVSA-N 0 0 286.331 2.125 50 0 CEAARN O=C(NCCc1ccco1)NC[C@@H]1Cc2ccccc2O1 ZINC000058166112 362610770 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QXNOSCRBMWUAEX-UHFFFAOYSA-N 0 0 269.291 2.350 50 0 CEAARN CC(C)(CNC(=O)C1CC1)c1ccc2c(c1)OCCO2 ZINC000058759412 362639221 /nfs/dbraw/zinc/63/92/21/362639221.db2.gz BGZFRARMPUQLCY-UHFFFAOYSA-N 0 0 275.348 2.262 50 0 CEAARN COc1cc(C(=O)NO[C@@H]2CCCCO2)ccc1C ZINC000060332370 362659243 /nfs/dbraw/zinc/65/92/43/362659243.db2.gz WAFOSQQNCILFDS-CYBMUJFWSA-N 0 0 265.309 2.192 50 0 CEAARN CC(C)(NC(=O)Cc1cccc(O)c1)c1nccs1 ZINC000097236726 185570720 /nfs/dbraw/zinc/57/07/20/185570720.db2.gz HRVQYQDBJNKJFA-UHFFFAOYSA-N 0 0 276.361 2.443 50 0 CEAARN Cc1cc(N)n(-c2cc(N3CCCCCCC3)ncn2)n1 ZINC000084104902 539492942 /nfs/dbraw/zinc/49/29/42/539492942.db2.gz MIRMWMOJWKELKM-UHFFFAOYSA-N 0 0 286.383 2.323 50 0 CEAARN COC(=O)C[C@H](NC(=O)c1ccc(F)c(F)c1)C1CC1 ZINC000084823006 178928129 /nfs/dbraw/zinc/92/81/29/178928129.db2.gz ZRUKRUXHWHUCNE-LBPRGKRZSA-N 0 0 283.274 2.036 50 0 CEAARN CO[C@@H](C(=O)Nc1ncc(C)cn1)c1ccccc1 ZINC000084258586 539503162 /nfs/dbraw/zinc/50/31/62/539503162.db2.gz 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CRVPYXVBGZJNAG-UHFFFAOYSA-N 0 0 274.349 2.042 50 0 CEAARN C[C@](O)(CNC(=O)c1nc2ccccc2s1)C1CC1 ZINC000062021640 362701325 /nfs/dbraw/zinc/70/13/25/362701325.db2.gz DHVILZMLLBOEQT-AWEZNQCLSA-N 0 0 276.361 2.187 50 0 CEAARN O=C([O-])[C@@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000062133885 362710835 /nfs/dbraw/zinc/71/08/35/362710835.db2.gz IFZRYZFYZPGLIZ-LLVKDONJSA-N 0 0 290.294 2.387 50 0 CEAARN CN(CC1CCC1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000098020310 185675404 /nfs/dbraw/zinc/67/54/04/185675404.db2.gz HGMPGPUJBAYYJO-MCIONIFRSA-N 0 0 266.385 2.386 50 0 CEAARN COc1ccc(Cl)cc1C(=O)NC[C@H](O)c1ccoc1 ZINC000085471629 179075855 /nfs/dbraw/zinc/07/58/55/179075855.db2.gz VLPOAMKVANXZGC-LBPRGKRZSA-N 0 0 295.722 2.405 50 0 CEAARN O=C(Nc1cnc(-n2ccnc2)nc1)c1ccc(F)cc1 ZINC000085555458 179093089 /nfs/dbraw/zinc/09/30/89/179093089.db2.gz UBNYNTIMRWXNNS-UHFFFAOYSA-N 0 0 283.266 2.054 50 0 CEAARN CCC(=O)NCCCn1ccnc1-c1ccccc1 ZINC000085554968 179093247 /nfs/dbraw/zinc/09/32/47/179093247.db2.gz 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282.428 2.280 50 0 CEAARN Cc1ccc(NC(=O)NCCNc2ccc(C)nn2)cc1 ZINC000065363427 362810525 /nfs/dbraw/zinc/81/05/25/362810525.db2.gz IDJWKKIZLGDGSW-UHFFFAOYSA-N 0 0 285.351 2.327 50 0 CEAARN CCCNC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 ZINC000065362758 362810855 /nfs/dbraw/zinc/81/08/55/362810855.db2.gz DSFQDSIIOUUZHF-UHFFFAOYSA-N 0 0 298.408 2.002 50 0 CEAARN O[C@H]1CCN(c2ccnc(-c3cc4ccccc4o3)n2)C1 ZINC000065381173 362814324 /nfs/dbraw/zinc/81/43/24/362814324.db2.gz ACWYHJKCAHKRIH-LBPRGKRZSA-N 0 0 281.315 2.461 50 0 CEAARN CCC1=NC(=S)N[C@H](c2ccc(F)cc2)C1C(=O)OC ZINC000009313687 282535100 /nfs/dbraw/zinc/53/51/00/282535100.db2.gz ZPPUPXIIGBGFOM-GFCCVEGCSA-N 0 0 294.351 2.182 50 0 CEAARN Cc1nc(C)c(CNS(=O)(=O)c2cccs2)s1 ZINC000086071771 179225083 /nfs/dbraw/zinc/22/50/83/179225083.db2.gz XXNZKGIAEXTVIB-UHFFFAOYSA-N 0 0 288.419 2.300 50 0 CEAARN CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2[nH]cnc2C)C1 ZINC000065459378 362823988 /nfs/dbraw/zinc/82/39/88/362823988.db2.gz JBRIPHDIMHILML-RDBSUJKOSA-N 0 0 279.384 2.489 50 0 CEAARN Cc1nc2n(c1C)CCN(Cc1nnc(-c3ccco3)o1)C2 ZINC000065463121 362825025 /nfs/dbraw/zinc/82/50/25/362825025.db2.gz MHBTZDUDNCBFSF-UHFFFAOYSA-N 0 0 299.334 2.159 50 0 CEAARN C[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)C(N)=O ZINC000065542694 362834781 /nfs/dbraw/zinc/83/47/81/362834781.db2.gz UBGARCZVVYBIER-QMMMGPOBSA-N 0 0 292.335 2.158 50 0 CEAARN COCCc1noc(CN(C)Cc2ccc(F)cc2F)n1 ZINC000065575231 362837073 /nfs/dbraw/zinc/83/70/73/362837073.db2.gz MIVDNMBEJYNTRW-UHFFFAOYSA-N 0 0 297.305 2.169 50 0 CEAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCOCC1 ZINC000065564629 362837453 /nfs/dbraw/zinc/83/74/53/362837453.db2.gz QOCSAAXXWWTVQB-VIFPVBQESA-N 0 0 265.338 2.191 50 0 CEAARN COc1ncccc1NC(=O)N(C)CCc1ccccn1 ZINC000065587634 362838526 /nfs/dbraw/zinc/83/85/26/362838526.db2.gz KYCPVVKITAANBR-UHFFFAOYSA-N 0 0 286.335 2.192 50 0 CEAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H]1C)CC2 ZINC000065493841 362827369 /nfs/dbraw/zinc/82/73/69/362827369.db2.gz MPDHPQDCDASZNG-ZWNOBZJWSA-N 0 0 275.348 2.245 50 0 CEAARN 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ZINC000070005558 279808613 /nfs/dbraw/zinc/80/86/13/279808613.db2.gz LNOUBOTWRPLRFA-CYBMUJFWSA-N 0 0 280.412 2.425 50 0 CEAARN O=C(Nc1ccccn1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000208939 280042201 /nfs/dbraw/zinc/04/22/01/280042201.db2.gz PVPWVTXCBVKYDF-NSHDSACASA-N 0 0 299.305 2.212 50 0 CEAARN CC(C)(C)c1csc(CNC(=O)C2CC(=O)C2)n1 ZINC000136946602 280064851 /nfs/dbraw/zinc/06/48/51/280064851.db2.gz LRMOJWRYFSYEFQ-UHFFFAOYSA-N 0 0 266.366 2.036 50 0 CEAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CCc1ccc(F)c(F)c1 ZINC000183122789 280112098 /nfs/dbraw/zinc/11/20/98/280112098.db2.gz KKZLAPGEURPHFV-TXEJJXNPSA-N 0 0 291.297 2.459 50 0 CEAARN O=C(c1onc2c1CCCC2)N1Cc2ccccc2[C@@H](O)C1 ZINC000426683787 280246429 /nfs/dbraw/zinc/24/64/29/280246429.db2.gz JGRDFFDAXMNEGI-HNNXBMFYSA-N 0 0 298.342 2.243 50 0 CEAARN Cc1cc(NC(=O)c2cnccn2)c2ccccc2n1 ZINC000028226136 280259988 /nfs/dbraw/zinc/25/99/88/280259988.db2.gz WJAGRJLRCNYWEA-UHFFFAOYSA-N 0 0 264.288 2.007 50 0 CEAARN O=S1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000069584221 280352662 /nfs/dbraw/zinc/35/26/62/280352662.db2.gz USMOBTRKYNAFAR-UHFFFAOYSA-N 0 0 298.717 2.323 50 0 CEAARN O=c1/c(=C/c2ccc(Cl)c(Cl)c2)sc2ncnn12 ZINC000016265004 280384705 /nfs/dbraw/zinc/38/47/05/280384705.db2.gz YOZQVEFXFVMRME-WTKPLQERSA-N 0 0 298.154 2.006 50 0 CEAARN Cc1cccc(C(=O)N2CCS[C@H](C)[C@H]2C)n1 ZINC000071911089 281190949 /nfs/dbraw/zinc/19/09/49/281190949.db2.gz RZDZHGOPBHSCPV-GHMZBOCLSA-N 0 0 250.367 2.356 50 0 CEAARN Cc1cccc(N2C(=O)C=C(Br)C2=O)c1 ZINC000064861104 281223537 /nfs/dbraw/zinc/22/35/37/281223537.db2.gz PMFLGDIKXLLQIF-UHFFFAOYSA-N 0 0 266.094 2.147 50 0 CEAARN Cc1cccc2c(C(=O)N(C)C)cc(N3CCOCC3)nc12 ZINC000064554605 281265248 /nfs/dbraw/zinc/26/52/48/281265248.db2.gz HQLWODZILUUTOK-UHFFFAOYSA-N 0 0 299.374 2.082 50 0 CEAARN CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2c1csc(N)n1 ZINC000000491315 281368339 /nfs/dbraw/zinc/36/83/39/281368339.db2.gz MKAYHQWRMWBALC-SDBXPKJASA-N 0 0 282.365 2.084 50 0 CEAARN CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2C1CCCCC1 ZINC000101730104 281399026 /nfs/dbraw/zinc/39/90/26/281399026.db2.gz GRJMVZSOOUINEW-JTQLQIEISA-N 0 0 263.337 2.292 50 0 CEAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)OC(C)(C)C)N1 ZINC000000237538 281698886 /nfs/dbraw/zinc/69/88/86/281698886.db2.gz VBKADCPFEPTFRM-SECBINFHSA-N 0 0 268.235 2.254 50 0 CEAARN Cc1nc(-c2nn3c(nnc3-c3ccccn3)s2)co1 ZINC000044918197 281813791 /nfs/dbraw/zinc/81/37/91/281813791.db2.gz QKYYHTMCLWQBEC-UHFFFAOYSA-N 0 0 284.304 2.211 50 0 CEAARN CC1CCN([C@@]2(O)C(=O)Nc3ccc(Cl)cc32)CC1 ZINC000000460843 281835694 /nfs/dbraw/zinc/83/56/94/281835694.db2.gz GKYJRGNRZNXLRK-AWEZNQCLSA-N 0 0 280.755 2.169 50 0 CEAARN Cc1ccccc1[C@@H]1C[C@H](C)N(S(C)(=O)=O)C1 ZINC000098012649 292671086 /nfs/dbraw/zinc/67/10/86/292671086.db2.gz VLIKREMRKJEVDC-NWDGAFQWSA-N 0 0 253.367 2.132 50 0 CEAARN CCn1nc(C)c2c1C(c1ccccc1)=N[C@@H](C)C(=O)N2 ZINC000071771619 288757479 /nfs/dbraw/zinc/75/74/79/288757479.db2.gz CVCOYKOFBOXMSC-NSHDSACASA-N 0 0 282.347 2.389 50 0 CEAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCCSCC1 ZINC000071853583 288931753 /nfs/dbraw/zinc/93/17/53/288931753.db2.gz RUXCHLCMWSHNJW-FZMZJTMJSA-N 0 0 293.388 2.180 50 0 CEAARN O=C(CCn1cccn1)N[C@H]1CCCOc2ccccc21 ZINC000154340856 289142155 /nfs/dbraw/zinc/14/21/55/289142155.db2.gz RSCIEJYXGUJAFS-AWEZNQCLSA-N 0 0 285.347 2.303 50 0 CEAARN CN1c2cc(NC(=O)C3CC3)ccc2OCC(C)(C)C1=O ZINC000008736248 290318660 /nfs/dbraw/zinc/31/86/60/290318660.db2.gz ZWQKXZBZMJCEEM-UHFFFAOYSA-N 0 0 288.347 2.417 50 0 CEAARN Cc1cnc(C(=O)N[C@H]2CCc3ccccc32)cn1 ZINC000012918640 292883375 /nfs/dbraw/zinc/88/33/75/292883375.db2.gz WQIZVSNMIIZYCD-ZDUSSCGKSA-N 0 0 253.305 2.202 50 0 CEAARN Cc1nc(CN2CCCC[C@H]2CCN2CCCC2=O)co1 ZINC000077408052 293263743 /nfs/dbraw/zinc/26/37/43/293263743.db2.gz UHCCOEARSKQSJP-HNNXBMFYSA-N 0 0 291.395 2.350 50 0 CEAARN Clc1ccnc2n[nH]c(I)c21 ZINC000082046504 294118077 /nfs/dbraw/zinc/11/80/77/294118077.db2.gz CEJMJIJJOSJRDO-UHFFFAOYSA-N 0 0 279.468 2.216 50 0 CEAARN Cn1ccc2ccc(NC(=O)c3ccncc3)cc2c1=O ZINC000225472474 294362912 /nfs/dbraw/zinc/36/29/12/294362912.db2.gz HJZVJMSPTLFSKX-UHFFFAOYSA-N 0 0 279.299 2.186 50 0 CEAARN Nc1ccc(I)c(F)c1F ZINC000079387260 295353002 /nfs/dbraw/zinc/35/30/02/295353002.db2.gz UPFNMZVCKBKXJD-UHFFFAOYSA-N 0 0 255.005 2.152 50 0 CEAARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc[nH]c2=S)C1 ZINC000012850804 297355838 /nfs/dbraw/zinc/35/58/38/297355838.db2.gz IWPHQGJGIMYGGT-AOOOYVTPSA-N 0 0 250.367 2.488 50 0 CEAARN C[C@H]1CN(C(=O)[C@@H]2CCCOC2)Cc2ccccc2O1 ZINC000294260720 300166537 /nfs/dbraw/zinc/16/65/37/300166537.db2.gz PIMSMNAXNRKEEU-GXTWGEPZSA-N 0 0 275.348 2.223 50 0 CEAARN Cc1cc(NC(=O)[C@@H](C)SC(=S)N2CCCC2)no1 ZINC000008376447 301357085 /nfs/dbraw/zinc/35/70/85/301357085.db2.gz LPCCXYKIBWISPH-SECBINFHSA-N 0 0 299.421 2.424 50 0 CEAARN Cc1ccc([C@@H]2[C@@H](C(=O)NC(C)C)CCC(=O)N2C)cc1 ZINC000072238218 301774521 /nfs/dbraw/zinc/77/45/21/301774521.db2.gz NIECROLZPQUHIG-GOEBONIOSA-N 0 0 288.391 2.429 50 0 CEAARN Cc1nn(C)c(C)c1/C=C\C(=O)N1CCCC[C@H]1C ZINC000098053614 302735433 /nfs/dbraw/zinc/73/54/33/302735433.db2.gz KICQISHIIPYOKY-TYBABMIJSA-N 0 0 261.369 2.451 50 0 CEAARN COc1nc(-c2ccc3c(c2)CCOC3)ccc1N ZINC000530248062 313289506 /nfs/dbraw/zinc/28/95/06/313289506.db2.gz HFDPEZFUTVLTMZ-UHFFFAOYSA-N 0 0 256.305 2.412 50 0 CEAARN Cc1c[nH]cc1C(=O)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000570389748 314037228 /nfs/dbraw/zinc/03/72/28/314037228.db2.gz GPMYNUMLKDWCBF-STQMWFEESA-N 0 0 255.321 2.252 50 0 CEAARN Cc1cccc([C@@H](NC(=O)N(C)CCO)C(F)(F)F)c1 ZINC000097100148 321694089 /nfs/dbraw/zinc/69/40/89/321694089.db2.gz CUTYKTRACYZWKS-LLVKDONJSA-N 0 0 290.285 2.232 50 0 CEAARN CN(CCc1ccccn1)C(=O)c1c(O)cccc1F ZINC000163715300 321700608 /nfs/dbraw/zinc/70/06/08/321700608.db2.gz JJYVLSXFMKSMPX-UHFFFAOYSA-N 0 0 274.295 2.241 50 0 CEAARN Cc1noc([C@@H]2COCCN2Cc2ccsc2)n1 ZINC000188481961 321768303 /nfs/dbraw/zinc/76/83/03/321768303.db2.gz CBHUPIKALGUXAG-NSHDSACASA-N 0 0 265.338 2.013 50 0 CEAARN O=C(Nc1ccncn1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000194049926 321805833 /nfs/dbraw/zinc/80/58/33/321805833.db2.gz LORHFWDIKPJKMX-CYBMUJFWSA-N 0 0 290.367 2.432 50 0 CEAARN Cc1n[nH]c(C)c1CNc1ccc(C)c(S(C)(=O)=O)c1 ZINC000195555822 321821153 /nfs/dbraw/zinc/82/11/53/321821153.db2.gz GHTMZNVPCADVRK-UHFFFAOYSA-N 0 0 293.392 2.351 50 0 CEAARN Cc1nn(CCS(=O)(=O)c2ccccc2)c(C)c1C ZINC000195578501 321821422 /nfs/dbraw/zinc/82/14/22/321821422.db2.gz VFJXAIHXXHFFKN-UHFFFAOYSA-N 0 0 278.377 2.282 50 0 CEAARN CC(C)[C@H](NS(=O)(=O)CC1CCCC1)c1nccn1C ZINC000534576219 328309849 /nfs/dbraw/zinc/30/98/49/328309849.db2.gz NDEIOAINZLROLO-ZDUSSCGKSA-N 0 0 299.440 2.227 50 0 CEAARN Cc1cnn([C@@H](C)CNC(=O)c2ccc(N(C)C)cc2)c1 ZINC000534589172 328317277 /nfs/dbraw/zinc/31/72/77/328317277.db2.gz OQRZGLKIADOWGF-ZDUSSCGKSA-N 0 0 286.379 2.249 50 0 CEAARN C[C@H](c1ccc(-c2n[nH]c(CCC(=O)[O-])n2)cc1)[NH+](C)C ZINC000534590915 328318084 /nfs/dbraw/zinc/31/80/84/328318084.db2.gz HWHYYQHLHUCVFK-SNVBAGLBSA-N 0 0 288.351 2.112 50 0 CEAARN Cc1cnn(CCNC(=O)c2ccc(C)n2C(F)F)c1 ZINC000534592804 328318887 /nfs/dbraw/zinc/31/88/87/328318887.db2.gz JKAZIVQIFVZANQ-UHFFFAOYSA-N 0 0 282.294 2.127 50 0 CEAARN O=C(CCc1cn[nH]c1)NCCCOC1CCCCC1 ZINC000534642974 328329026 /nfs/dbraw/zinc/32/90/26/328329026.db2.gz KSYYPTRUNQJWGP-UHFFFAOYSA-N 0 0 279.384 2.198 50 0 CEAARN Cc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c(=O)[n-]1 ZINC000534634170 328332935 /nfs/dbraw/zinc/33/29/35/328332935.db2.gz OUQSGKQSRXCZKD-VIFPVBQESA-N 0 0 282.775 2.040 50 0 CEAARN CCCn1ncnc1[C@H](C)NC(=O)c1oc(CC)nc1C ZINC000534640846 328336031 /nfs/dbraw/zinc/33/60/31/328336031.db2.gz VEXIUDNIPFJCSI-JTQLQIEISA-N 0 0 291.355 2.038 50 0 CEAARN O=C([O-])CCCC(=O)NC[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000534640855 328336108 /nfs/dbraw/zinc/33/61/08/328336108.db2.gz FHLWSMUNLILHDW-CYBMUJFWSA-N 0 0 296.411 2.012 50 0 CEAARN CCC(C)(CC)NC(=O)NC[C@@H](O)c1cccc(O)c1 ZINC000534651524 328337519 /nfs/dbraw/zinc/33/75/19/328337519.db2.gz KBVMUGJNZKNXOW-CYBMUJFWSA-N 0 0 280.368 2.304 50 0 CEAARN COC[C@@H](C)NC(=O)c1cccc(-c2ccncc2N)c1 ZINC000534660323 328342559 /nfs/dbraw/zinc/34/25/59/328342559.db2.gz SAGJYXDTCMSEAZ-LLVKDONJSA-N 0 0 285.347 2.096 50 0 CEAARN CC(C)C[C@H](NC(=O)N1CCOCC1)c1cccnc1 ZINC000534654419 328339063 /nfs/dbraw/zinc/33/90/63/328339063.db2.gz AZQZIXNDMBSAIE-AWEZNQCLSA-N 0 0 277.368 2.211 50 0 CEAARN Cc1[nH]nc(C(=O)N[C@H](c2nccn2C)C(C)C)c1Cl ZINC000534658847 328341518 /nfs/dbraw/zinc/34/15/18/328341518.db2.gz FPDDOTYQABSSPX-JTQLQIEISA-N 0 0 295.774 2.232 50 0 CEAARN COC(=O)c1ccc(Br)c(C(=O)OC)c1 ZINC000001040959 326792889 /nfs/dbraw/zinc/79/28/89/326792889.db2.gz ADXCABFZLVXCNW-UHFFFAOYSA-N 0 0 273.082 2.022 50 0 CEAARN O=c1c2ccccc2nnn1CCOc1ccc(F)cc1 ZINC000005462360 326815712 /nfs/dbraw/zinc/81/57/12/326815712.db2.gz ASWXCRGYXJOEKQ-UHFFFAOYSA-N 0 0 285.278 2.010 50 0 CEAARN C[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1nccnc1N ZINC000040112166 326926901 /nfs/dbraw/zinc/92/69/01/326926901.db2.gz CEFIJKLNWVSWNZ-VIFPVBQESA-N 0 0 290.754 2.073 50 0 CEAARN CC/C=C(/C)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000058154314 327010148 /nfs/dbraw/zinc/01/01/48/327010148.db2.gz LWBWDQJFBNQWAS-PQMHYQBVSA-N 0 0 284.363 2.299 50 0 CEAARN Cc1ccc([C@@H]2CSCCN2CC(=O)N(C)C)cc1 ZINC000071909430 327106229 /nfs/dbraw/zinc/10/62/29/327106229.db2.gz ORJWGRAVRODSKM-AWEZNQCLSA-N 0 0 278.421 2.173 50 0 CEAARN CCO[C@@H]1C[C@H](Nc2cncc(-n3cccn3)n2)C12CCC2 ZINC000076023527 327128361 /nfs/dbraw/zinc/12/83/61/327128361.db2.gz DQFDUPAKEIEIIQ-QWHCGFSZSA-N 0 0 299.378 2.422 50 0 CEAARN Cc1nn(C)cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000077422385 327132262 /nfs/dbraw/zinc/13/22/62/327132262.db2.gz BPKFSONWAVDJDJ-CYBMUJFWSA-N 0 0 287.338 2.497 50 0 CEAARN CC(C)(C)[C@H]1CCC[C@H]1Nc1nc2[nH][nH]cc-2c(=O)n1 ZINC000562732414 327510334 /nfs/dbraw/zinc/51/03/34/327510334.db2.gz ULJKPENFSNNLQM-VHSXEESVSA-N 0 0 275.356 2.059 50 0 CEAARN Cc1nc(CNC(=O)CC[C@H]2CC[C@H](C)O2)oc1C ZINC000096436190 329526044 /nfs/dbraw/zinc/52/60/44/329526044.db2.gz ACPLTNWZQXMYQV-JOYOIKCWSA-N 0 0 266.341 2.255 50 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O=C([C@@H]1Cc2ccccc2O1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000225236948 280118474 /nfs/dbraw/zinc/11/84/74/280118474.db2.gz LAZWVXHVHFXKOX-BMFZPTHFSA-N 0 0 287.359 2.160 50 0 CEAARN CCC[C@@](C)(CO)NC(=O)c1cccc2c1CCC2 ZINC000192580320 280182659 /nfs/dbraw/zinc/18/26/59/280182659.db2.gz OSVMLOZJWRNTJV-INIZCTEOSA-N 0 0 261.365 2.456 50 0 CEAARN CN1CCc2ncnc(N3CCC[C@H]3c3ccccn3)c2C1 ZINC000241466132 280235561 /nfs/dbraw/zinc/23/55/61/280235561.db2.gz NVALRYNNZCFLKV-INIZCTEOSA-N 0 0 295.390 2.201 50 0 CEAARN O=C1C[C@@H]([C@H]2CCCO2)C(=O)N1c1cccc(Cl)c1 ZINC000100571909 280269541 /nfs/dbraw/zinc/26/95/41/280269541.db2.gz KGZKDDDNHRZECM-NWDGAFQWSA-N 0 0 279.723 2.399 50 0 CEAARN O=C1C2=C(NNC2)C(=O)N1c1cccc2ccccc21 ZINC000004689955 280328203 /nfs/dbraw/zinc/32/82/03/280328203.db2.gz UTJUNUBJZBWQTE-AAEUAGOBSA-N 0 0 265.272 2.164 50 0 CEAARN Cc1cc(C(=O)N2C[C@@H](C)Oc3cc(C)ccc32)n[nH]1 ZINC000098018356 280340264 /nfs/dbraw/zinc/34/02/64/280340264.db2.gz RGCDTMOROQTOOM-LLVKDONJSA-N 0 0 271.320 2.454 50 0 CEAARN Cc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)no1 ZINC000001054506 280375547 /nfs/dbraw/zinc/37/55/47/280375547.db2.gz DJUUHURIIACUIC-UHFFFAOYSA-N 0 0 278.215 2.106 50 0 CEAARN O=c1c(-c2ccn[nH]2)cnc2sc3ccccc3n21 ZINC000001395760 280389469 /nfs/dbraw/zinc/38/94/69/280389469.db2.gz CIEWTJIZRHGZTG-UHFFFAOYSA-N 0 0 268.301 2.299 50 0 CEAARN Cc1ccc([C@@H]2Cc3nc(N)ncc3C(=O)C2)s1 ZINC000095117778 280969050 /nfs/dbraw/zinc/96/90/50/280969050.db2.gz JRFMJXQMZMZTRB-MRVPVSSYSA-N 0 0 259.334 2.341 50 0 CEAARN O=C(c1cc2n(n1)CCCO2)N(CC(F)F)CC1CCC1 ZINC000431849263 281322385 /nfs/dbraw/zinc/32/23/85/281322385.db2.gz CLDCMYISCWYABN-UHFFFAOYSA-N 0 0 299.321 2.173 50 0 CEAARN Cc1ccccc1[C@H]1CCCN1c1nc2n[nH]cc2c(=O)[nH]1 ZINC000170083791 281389727 /nfs/dbraw/zinc/38/97/27/281389727.db2.gz GLRTWWJTURVRJL-CYBMUJFWSA-N 0 0 295.346 2.296 50 0 CEAARN Cc1cnc(C(=O)N[C@H]2CCCc3occc32)cn1 ZINC000012870596 281576969 /nfs/dbraw/zinc/57/69/69/281576969.db2.gz HQOXLPFEKAAPAX-NSHDSACASA-N 0 0 257.293 2.185 50 0 CEAARN Cc1nc2c(cnn2C)c(N2CCOc3ccccc3C2)n1 ZINC000044978864 282017287 /nfs/dbraw/zinc/01/72/87/282017287.db2.gz KUNKURLZZAIKEC-UHFFFAOYSA-N 0 0 295.346 2.071 50 0 CEAARN C[C@@H]1c2ccc(F)cc2CCN1CC(=O)N1CCCC1 ZINC000098012673 289070903 /nfs/dbraw/zinc/07/09/03/289070903.db2.gz QWVUNUWXSAVRIX-GFCCVEGCSA-N 0 0 276.355 2.367 50 0 CEAARN Cc1cc(C)n(CC(=O)Nc2c(C)noc2C2CC2)n1 ZINC000156524171 289197243 /nfs/dbraw/zinc/19/72/43/289197243.db2.gz MDCFWLOJLGEQSB-UHFFFAOYSA-N 0 0 274.324 2.312 50 0 CEAARN C[C@@]12C[C@@H](NC(=O)N1)c1cc(Br)ccc1O2 ZINC000000256667 289231420 /nfs/dbraw/zinc/23/14/20/289231420.db2.gz XHQRTYLILGVIHU-LDYMZIIASA-N 0 0 283.125 2.302 50 0 CEAARN CN1C(=O)CC[C@H](C(=O)NC2CC2)[C@@H]1c1ccccc1F ZINC000057355041 289802551 /nfs/dbraw/zinc/80/25/51/289802551.db2.gz OHNQGLQVELWJPO-WFASDCNBSA-N 0 0 290.338 2.014 50 0 CEAARN CN1CCC[C@@]2(CCN(c3nc4ccccc4o3)C2)C1=O ZINC000067695173 289973305 /nfs/dbraw/zinc/97/33/05/289973305.db2.gz HNQJFNNRILATID-INIZCTEOSA-N 0 0 285.347 2.277 50 0 CEAARN CN1CCC[C@]2(CCN(c3ccc(Cl)cn3)C2)C1=O ZINC000091713494 290005275 /nfs/dbraw/zinc/00/52/75/290005275.db2.gz UMYQLYRTNGSRIJ-CQSZACIVSA-N 0 0 279.771 2.184 50 0 CEAARN CN1CCc2ncnc(N3CC[C@@H]4CCCC[C@@H]43)c2C1 ZINC000222193507 290257226 /nfs/dbraw/zinc/25/72/26/290257226.db2.gz WXDUGOPGVRJVTE-WFASDCNBSA-N 0 0 272.396 2.233 50 0 CEAARN CN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2C)C1=O ZINC000032751200 290321529 /nfs/dbraw/zinc/32/15/29/290321529.db2.gz RIUSUMPENUPDEN-KRWDZBQOSA-N 0 0 293.326 2.014 50 0 CEAARN Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1nc(C)ccc1O ZINC000195569870 293110205 /nfs/dbraw/zinc/11/02/05/293110205.db2.gz KLELTYVECRCRAR-MRVPVSSYSA-N 0 0 274.324 2.178 50 0 CEAARN Cc1nn(C)c2c1N(C(=O)OC(C)(C)C)C[C@@H](C)N2 ZINC000072266508 293745520 /nfs/dbraw/zinc/74/55/20/293745520.db2.gz GRSPABDMEFXEOS-MRVPVSSYSA-N 0 0 266.345 2.284 50 0 CEAARN Cc1nn(C)c2c1[C@@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000072140718 293754808 /nfs/dbraw/zinc/75/48/08/293754808.db2.gz QWESEDNPCPONAD-SNVBAGLBSA-N 0 0 277.274 2.481 50 0 CEAARN Cc1nn(C)cc1NC(=O)NCCSC(F)(F)F ZINC000096132977 293784242 /nfs/dbraw/zinc/78/42/42/293784242.db2.gz UJVVIMRUDXUYJX-UHFFFAOYSA-N 0 0 282.291 2.103 50 0 CEAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc(F)cc1 ZINC000012984194 294042122 /nfs/dbraw/zinc/04/21/22/294042122.db2.gz NTTPTMDXSPSWLD-UHFFFAOYSA-N 0 0 287.250 2.216 50 0 CEAARN Clc1ccccc1N1CCN(c2ncccn2)CC1 ZINC000008148398 294115360 /nfs/dbraw/zinc/11/53/60/294115360.db2.gz CGXWECXCJQMMRK-UHFFFAOYSA-N 0 0 274.755 2.457 50 0 CEAARN Cn1ncc(N2C[C@H]3CCCC[C@@H]3C2)c(Cl)c1=O ZINC000095408703 294540265 /nfs/dbraw/zinc/54/02/65/294540265.db2.gz JQYXKRUAIHJIET-NXEZZACHSA-N 0 0 267.760 2.060 50 0 CEAARN COc1cc(Cl)cc(C[NH+](C)C)c1O[C@@H](C)C(=O)[O-] ZINC000215830310 294988058 /nfs/dbraw/zinc/98/80/58/294988058.db2.gz AHVWCDZAEORNKF-QMMMGPOBSA-N 0 0 287.743 2.262 50 0 CEAARN NC(=O)c1c(Br)ccc(Br)c1F ZINC000263624994 295167923 /nfs/dbraw/zinc/16/79/23/295167923.db2.gz VVXGLYRUJJQYJH-UHFFFAOYSA-N 0 0 296.921 2.450 50 0 CEAARN O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCCCC1 ZINC000035257806 304589463 /nfs/dbraw/zinc/58/94/63/304589463.db2.gz RZNFRNJYYVDBSB-UHFFFAOYSA-N 0 0 282.343 2.184 50 0 CEAARN Cc1ccc(S(=O)(=O)N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000000209078 301692454 /nfs/dbraw/zinc/69/24/54/301692454.db2.gz NERNADNMUHFLPB-GFCCVEGCSA-N 0 0 283.393 2.231 50 0 CEAARN Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@H](CO)C1)[C@H](C)C2 ZINC000096500417 301908131 /nfs/dbraw/zinc/90/81/31/301908131.db2.gz OEHMWKOHWTWNNA-DVOMOZLQSA-N 0 0 288.391 2.252 50 0 CEAARN Cc1ccccc1NN1C(=O)OC(C)(C)[C@]1(C)O ZINC000004776813 302106548 /nfs/dbraw/zinc/10/65/48/302106548.db2.gz YHIHJZIWYFBXFB-ZDUSSCGKSA-N 0 0 250.298 2.261 50 0 CEAARN Cc1ccsc1C(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000098020570 302301093 /nfs/dbraw/zinc/30/10/93/302301093.db2.gz HLYIESHJRIKIPU-WDEREUQCSA-N 0 0 283.418 2.403 50 0 CEAARN Cc1[nH]nc2c1[C@@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000035476229 302532186 /nfs/dbraw/zinc/53/21/86/302532186.db2.gz HOXKLAXDCBZDFH-SNVBAGLBSA-N 0 0 263.247 2.470 50 0 CEAARN Cc1nc2oc3c(nc[nH]c3=O)c2c2c1COC(C)(C)C2 ZINC000009165183 302685428 /nfs/dbraw/zinc/68/54/28/302685428.db2.gz CCGSXAGOXGTTEN-UHFFFAOYSA-N 0 0 285.303 2.224 50 0 CEAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC000064555546 302846963 /nfs/dbraw/zinc/84/69/63/302846963.db2.gz NNAQYPBILFWQNW-VXGBXAGGSA-N 0 0 264.325 2.134 50 0 CEAARN O=C(CCC(F)(F)F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000168519748 303576373 /nfs/dbraw/zinc/57/63/73/303576373.db2.gz OLUNLOVBBDYLTB-JQWIXIFHSA-N 0 0 279.302 2.483 50 0 CEAARN CCOCCCNC(=O)c1c(C)onc1-c1ccccn1 ZINC000064472200 327793228 /nfs/dbraw/zinc/79/32/28/327793228.db2.gz URDGSJPDPOQVSC-UHFFFAOYSA-N 0 0 289.335 2.201 50 0 CEAARN Cc1cc(CC(=O)N2CCC(Cc3cccnc3)CC2)on1 ZINC000565599673 313828130 /nfs/dbraw/zinc/82/81/30/313828130.db2.gz AQXBTHBOQIYHID-UHFFFAOYSA-N 0 0 299.374 2.402 50 0 CEAARN O=C(Nc1ncccc1O)c1cccnc1C(F)(F)F ZINC000097371198 321695217 /nfs/dbraw/zinc/69/52/17/321695217.db2.gz CDNDHJKOUNBGGK-UHFFFAOYSA-N 0 0 283.209 2.453 50 0 CEAARN C[C@H]1Cc2ccccc2CN1C(=O)c1ncccc1O ZINC000189880654 321779304 /nfs/dbraw/zinc/77/93/04/321779304.db2.gz KLBJVSMKYRESKK-NSHDSACASA-N 0 0 268.316 2.374 50 0 CEAARN C/C=C/CC(=O)N[C@H]1CCCN(Cc2cccnc2)C1 ZINC000534574438 328309469 /nfs/dbraw/zinc/30/94/69/328309469.db2.gz GEZXYARQVLRCCY-FAAWYNLUSA-N 0 0 273.380 2.128 50 0 CEAARN CN(Cc1ccco1)C(=O)NCCc1cccn1C ZINC000534581629 328312143 /nfs/dbraw/zinc/31/21/43/328312143.db2.gz TVMYSYFRMAVNEZ-UHFFFAOYSA-N 0 0 261.325 2.002 50 0 CEAARN CC[C@@H](NC(=O)c1csc(C(C)C)n1)c1ncnn1C ZINC000534583246 328312496 /nfs/dbraw/zinc/31/24/96/328312496.db2.gz BEWSGVKUDRXJHL-SECBINFHSA-N 0 0 293.396 2.276 50 0 CEAARN C[C@@H](c1ccc(-c2n[nH]c(CCC(=O)[O-])n2)cc1)[NH+](C)C ZINC000534590914 328318079 /nfs/dbraw/zinc/31/80/79/328318079.db2.gz HWHYYQHLHUCVFK-JTQLQIEISA-N 0 0 288.351 2.112 50 0 CEAARN CC(C)Cc1noc(CNC(=O)c2ncoc2C2CC2)n1 ZINC000534634848 328333246 /nfs/dbraw/zinc/33/32/46/328333246.db2.gz PLULGRYWRLJMSZ-UHFFFAOYSA-N 0 0 290.323 2.064 50 0 CEAARN O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NCC1(Cn2cccn2)CC1 ZINC000534637102 328334226 /nfs/dbraw/zinc/33/42/26/328334226.db2.gz PTECLWIHYUJKGY-ILXRZTDVSA-N 0 0 285.391 2.382 50 0 CEAARN Cc1c[nH]c([C@@H](C)NC(=O)CCCn2nc(C)cc2C)n1 ZINC000534637134 328334434 /nfs/dbraw/zinc/33/44/34/328334434.db2.gz DLJDAIPWTVWCFZ-CYBMUJFWSA-N 0 0 289.383 2.189 50 0 CEAARN CCOc1ccc([C@@H](C)NC(=O)C2(C)COC2)cc1F ZINC000534638456 328334990 /nfs/dbraw/zinc/33/49/90/328334990.db2.gz JQPHAUGSIZRYRL-SNVBAGLBSA-N 0 0 281.327 2.438 50 0 CEAARN Cc1cccc([C@@H](C)NC(=O)CCn2c(C)cccc2=O)n1 ZINC000534641524 328336320 /nfs/dbraw/zinc/33/63/20/328336320.db2.gz SFZPQTGPMYNPQY-CQSZACIVSA-N 0 0 299.374 2.128 50 0 CEAARN O=C([O-])CCC(=O)NC[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000534649820 328344178 /nfs/dbraw/zinc/34/41/78/328344178.db2.gz HGLLOBLIDJGCAR-ZDUSSCGKSA-N 0 0 296.411 2.012 50 0 CEAARN CCO[C@H]1COC[C@@H]1Nc1nc(C)nc2ccsc21 ZINC000534664696 328344678 /nfs/dbraw/zinc/34/46/78/328344678.db2.gz YDXRYJAMUGUNOG-QWRGUYRKSA-N 0 0 279.365 2.216 50 0 CEAARN COC[C@H](NC(=O)Cc1ccsc1)c1ccccn1 ZINC000534665517 328344929 /nfs/dbraw/zinc/34/49/29/328344929.db2.gz MWKUWAIFULKHIT-ZDUSSCGKSA-N 0 0 276.361 2.190 50 0 CEAARN CC[C@H](NC(=O)c1ccncc1Cl)c1ncnn1CC ZINC000534666101 328345401 /nfs/dbraw/zinc/34/54/01/328345401.db2.gz AKVVBJPTZCLWDF-NSHDSACASA-N 0 0 293.758 2.228 50 0 CEAARN Cc1c[nH]c(CN(C)C(=O)NC2(C(C)C)CC2)n1 ZINC000534667825 328346188 /nfs/dbraw/zinc/34/61/88/328346188.db2.gz YIJBICFHWDDYSS-UHFFFAOYSA-N 0 0 250.346 2.048 50 0 CEAARN Cn1nc(C(=O)NCC2CCCCC2)c2ccccc2c1=O ZINC000002621011 326798093 /nfs/dbraw/zinc/79/80/93/326798093.db2.gz JLNSMYKPPXOXLP-UHFFFAOYSA-N 0 0 299.374 2.244 50 0 CEAARN CC[C@H](C)[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000006224667 326817863 /nfs/dbraw/zinc/81/78/63/326817863.db2.gz NERRZZZFZINKCE-RVMXOQNASA-N 0 0 284.400 2.452 50 0 CEAARN O=C(NC[C@@H]1CCCO1)c1csc(Br)c1 ZINC000012947756 326835716 /nfs/dbraw/zinc/83/57/16/326835716.db2.gz UUXYZSQMQLHXDU-QMMMGPOBSA-N 0 0 290.182 2.419 50 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/nfs/dbraw/zinc/29/53/21/174295321.db2.gz CNFHCMNPXBVIKE-UHFFFAOYSA-N 0 0 292.360 2.399 50 0 CEAARN COc1cccc(/C=C/C(=O)NCCCn2cccn2)c1 ZINC000040504680 174301360 /nfs/dbraw/zinc/30/13/60/174301360.db2.gz DAEUXUKQPJPMDQ-BQYQJAHWSA-N 0 0 285.347 2.111 50 0 CEAARN C[C@@H](NC(=O)CCc1cccc(F)c1)[C@H]1CCCO1 ZINC000040509130 174303561 /nfs/dbraw/zinc/30/35/61/174303561.db2.gz BOGURWNFCAHVDI-BXUZGUMPSA-N 0 0 265.328 2.442 50 0 CEAARN Cc1ccc(C(=O)CCC(=O)Nc2cnn(C)c2)s1 ZINC000040512517 174305354 /nfs/dbraw/zinc/30/53/54/174305354.db2.gz YRFWFLSPALAOKP-UHFFFAOYSA-N 0 0 277.349 2.392 50 0 CEAARN Cc1cccc(-c2nc(CN3CCO[C@@H](C)C3)no2)c1 ZINC000040513754 174305980 /nfs/dbraw/zinc/30/59/80/174305980.db2.gz DICITPKIWRIQLP-LBPRGKRZSA-N 0 0 273.336 2.266 50 0 CEAARN CN(C(=O)[C@@H]1CC(=O)Nc2ccccc21)c1nccs1 ZINC000040516302 174306949 /nfs/dbraw/zinc/30/69/49/174306949.db2.gz ONZAHVPFUOLJRU-SNVBAGLBSA-N 0 0 287.344 2.232 50 0 CEAARN C[C@H](c1nnnn1-c1ccccc1)N(C)Cc1ccco1 ZINC000040515864 174306958 /nfs/dbraw/zinc/30/69/58/174306958.db2.gz OREZLGGTUFMXDG-GFCCVEGCSA-N 0 0 283.335 2.448 50 0 CEAARN NC(=O)CCCNC(=O)c1cc2c(s1)CCCCC2 ZINC000040523763 174312060 /nfs/dbraw/zinc/31/20/60/174312060.db2.gz VDYKFVHERXHMNS-UHFFFAOYSA-N 0 0 280.393 2.012 50 0 CEAARN C[C@H](CO)NC(=O)Nc1ccccc1C(C)(C)C ZINC000040526128 174314135 /nfs/dbraw/zinc/31/41/35/174314135.db2.gz UDQSZUITNZMFIE-SNVBAGLBSA-N 0 0 250.342 2.486 50 0 CEAARN Cc1ncsc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000040529099 174316181 /nfs/dbraw/zinc/31/61/81/174316181.db2.gz ICXZLECHFYQTDY-UHFFFAOYSA-N 0 0 276.317 2.110 50 0 CEAARN O=C(COCC(F)(F)F)N1CCc2sccc2C1 ZINC000040534039 174319048 /nfs/dbraw/zinc/31/90/48/174319048.db2.gz ULNCDZYXZDMCSD-UHFFFAOYSA-N 0 0 279.283 2.212 50 0 CEAARN Cc1cc(C)n(C[C@@H](C)CNC(=O)c2scnc2C)n1 ZINC000040541142 174322453 /nfs/dbraw/zinc/32/24/53/174322453.db2.gz JVOKSLKYHAAGMY-VIFPVBQESA-N 0 0 292.408 2.331 50 0 CEAARN Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H](C)C(C)C ZINC000040540577 174322549 /nfs/dbraw/zinc/32/25/49/174322549.db2.gz OFHRFGIEPLDFFC-NSHDSACASA-N 0 0 288.355 2.137 50 0 CEAARN CC(C)c1cc(C(=O)NCc2ccc3c(c2)OCO3)[nH]n1 ZINC000040553242 174330177 /nfs/dbraw/zinc/33/01/77/174330177.db2.gz OURPRVOIILIGPU-UHFFFAOYSA-N 0 0 287.319 2.192 50 0 CEAARN CNC(=O)[C@@H](C)NC(=O)Nc1cccc2ccccc21 ZINC000040556166 174330851 /nfs/dbraw/zinc/33/08/51/174330851.db2.gz JINNLDOAJYQFFA-SNVBAGLBSA-N 0 0 271.320 2.096 50 0 CEAARN Cc1cccc2c1cnn2CCC(=O)N1CCSCC1 ZINC000040758326 174396683 /nfs/dbraw/zinc/39/66/83/174396683.db2.gz ZAAHNRWKYQKUER-UHFFFAOYSA-N 0 0 289.404 2.310 50 0 CEAARN COc1cccc(NC(=O)N2CCc3nc(C)ncc3C2)c1 ZINC000064542171 414763522 /nfs/dbraw/zinc/76/35/22/414763522.db2.gz FPHBBQZCYIJBSC-UHFFFAOYSA-N 0 0 298.346 2.384 50 0 CEAARN CNc1nc(CC(=O)N(C)c2ccccc2)cs1 ZINC000049664270 414748288 /nfs/dbraw/zinc/74/82/88/414748288.db2.gz FJDSIKNMANVTTP-UHFFFAOYSA-N 0 0 261.350 2.390 50 0 CEAARN Cc1c(C(=O)Nc2ccnn2C)cnn1-c1ccc(F)cc1 ZINC000122968013 414792976 /nfs/dbraw/zinc/79/29/76/414792976.db2.gz QJJFGQJQFCBLAQ-UHFFFAOYSA-N 0 0 299.309 2.306 50 0 CEAARN O=C(CNc1ccc(Cl)cc1)NCC(F)(F)F ZINC000042206677 174658189 /nfs/dbraw/zinc/65/81/89/174658189.db2.gz HQYYXTPZAAJBMR-UHFFFAOYSA-N 0 0 266.650 2.430 50 0 CEAARN CO[C@H](Cn1ncn(-c2ccccc2)c1=O)C1CCCC1 ZINC000664034844 415133349 /nfs/dbraw/zinc/13/33/49/415133349.db2.gz KKIRKPRCSLSOKI-OAHLLOKOSA-N 0 0 287.363 2.239 50 0 CEAARN CCOC(=O)C(=O)c1ccc(F)c(C2OCCCO2)c1 ZINC000043209603 174983378 /nfs/dbraw/zinc/98/33/78/174983378.db2.gz QTVMELCYKQGRKD-UHFFFAOYSA-N 0 0 282.267 2.007 50 0 CEAARN O=C(NCCn1ccnc1)N1CCC[C@H]1c1cccs1 ZINC000043311981 175004078 /nfs/dbraw/zinc/00/40/78/175004078.db2.gz XIYVWGIPCZRZMY-LBPRGKRZSA-N 0 0 290.392 2.491 50 0 CEAARN O=C(NC[C@@H]1CCCO1)Nc1ccn(-c2ccccc2)n1 ZINC000043622323 175080638 /nfs/dbraw/zinc/08/06/38/175080638.db2.gz SBRVVQGVDKXATF-ZDUSSCGKSA-N 0 0 286.335 2.173 50 0 CEAARN OC[C@@H]1CCCN1Cc1ccc(Br)s1 ZINC000043677818 175088684 /nfs/dbraw/zinc/08/86/84/175088684.db2.gz WGEMHJWCHNUTMS-QMMMGPOBSA-N 0 0 276.199 2.467 50 0 CEAARN Cc1ccc([C@@H](C)NC(=O)N2CCSCC2)o1 ZINC000043720487 175104577 /nfs/dbraw/zinc/10/45/77/175104577.db2.gz BKPCSNMQSUDIQL-SNVBAGLBSA-N 0 0 254.355 2.407 50 0 CEAARN CCCNC(=S)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000044219511 175154647 /nfs/dbraw/zinc/15/46/47/175154647.db2.gz YREZUPMGWKBAPH-VIFPVBQESA-N 0 0 277.393 2.116 50 0 CEAARN Cc1cc(Br)oc1C(=O)N1CCO[C@@H](C)C1 ZINC000044400439 175170945 /nfs/dbraw/zinc/17/09/45/175170945.db2.gz CQYCWWNXYPQBGY-QMMMGPOBSA-N 0 0 288.141 2.211 50 0 CEAARN CCc1ccc(S(=O)(=O)N2CCC(OC)CC2)s1 ZINC000044451787 175176480 /nfs/dbraw/zinc/17/64/80/175176480.db2.gz YXRCKLGMPRBCCU-UHFFFAOYSA-N 0 0 289.422 2.110 50 0 CEAARN COC(=O)c1ccnc(NC(=O)OC(C)(C)C)c1 ZINC000044547528 175202260 /nfs/dbraw/zinc/20/22/60/175202260.db2.gz TZCLGBJFBGZAQO-UHFFFAOYSA-N 0 0 252.270 2.215 50 0 CEAARN CC(C)c1noc([C@H](C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000044583557 175210736 /nfs/dbraw/zinc/21/07/36/175210736.db2.gz PLWANGSCPJFBOH-AXFHLTTASA-N 0 0 253.346 2.363 50 0 CEAARN O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CC=CCC1 ZINC000044816055 175258482 /nfs/dbraw/zinc/25/84/82/175258482.db2.gz AUZFFLWKHPSDTB-STQMWFEESA-N 0 0 273.332 2.299 50 0 CEAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)Nc2nncn21 ZINC000044902273 175274590 /nfs/dbraw/zinc/27/45/90/175274590.db2.gz JKEBBVANJPTHQN-VIFPVBQESA-N 0 0 291.698 2.103 50 0 CEAARN Clc1snnc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000044937992 175281823 /nfs/dbraw/zinc/28/18/23/175281823.db2.gz HZMJSSIYWXKKNM-QMMMGPOBSA-N 0 0 273.789 2.192 50 0 CEAARN O=C(c1cc(Cl)c[nH]1)N(C[C@H]1CCOC1)C1CC1 ZINC000044941173 175282255 /nfs/dbraw/zinc/28/22/55/175282255.db2.gz GEBKEUSKKZCZFL-SECBINFHSA-N 0 0 268.744 2.309 50 0 CEAARN CO[C@H](C)C(=O)NCCSCc1ccccc1F ZINC000044979525 175283141 /nfs/dbraw/zinc/28/31/41/175283141.db2.gz DAJPLWBPYRENRB-SNVBAGLBSA-N 0 0 271.357 2.210 50 0 CEAARN C[C@@H]1CCCC[C@@H]1N(C)c1ncnc2c1cnn2C ZINC000045026678 175293502 /nfs/dbraw/zinc/29/35/02/175293502.db2.gz ABHUBQQUWCUADV-PWSUYJOCSA-N 0 0 259.357 2.378 50 0 CEAARN CN(CCc1ccccn1)C(=O)c1ccc2c(c1)CCO2 ZINC000045140686 175315493 /nfs/dbraw/zinc/31/54/93/175315493.db2.gz MBWKQGWJYVWZAY-UHFFFAOYSA-N 0 0 282.343 2.331 50 0 CEAARN Cc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)o1 ZINC000045888769 175385294 /nfs/dbraw/zinc/38/52/94/175385294.db2.gz MLOKQIWKWRVXKY-OLZOCXBDSA-N 0 0 292.379 2.270 50 0 CEAARN CNC(=O)COC(=O)CCc1cccc(Cl)c1Cl ZINC000046483182 175397178 /nfs/dbraw/zinc/39/71/78/175397178.db2.gz ANKIZFPDVCPXSD-UHFFFAOYSA-N 0 0 290.146 2.215 50 0 CEAARN CN(CCCNC(=O)C1CCCC1)CC(F)(F)F ZINC000046833167 175399708 /nfs/dbraw/zinc/39/97/08/175399708.db2.gz FUNVJBUEGKOBKP-UHFFFAOYSA-N 0 0 266.307 2.177 50 0 CEAARN COCCOc1ccc(NC(=O)NCC(F)(F)F)cc1 ZINC000046907131 175401568 /nfs/dbraw/zinc/40/15/68/175401568.db2.gz TZHKYHSTJCVACT-UHFFFAOYSA-N 0 0 292.257 2.396 50 0 CEAARN CCn1cnnc1CNC(=O)N(C)[C@@H](C)c1cccs1 ZINC000046965003 175402481 /nfs/dbraw/zinc/40/24/81/175402481.db2.gz LIFPQOOSGWOGGW-JTQLQIEISA-N 0 0 293.396 2.262 50 0 CEAARN CC(C)n1cnnc1SCc1cccc(C(N)=O)c1 ZINC000047438437 175408320 /nfs/dbraw/zinc/40/83/20/175408320.db2.gz CPZOSASQJNIUDA-UHFFFAOYSA-N 0 0 276.365 2.250 50 0 CEAARN CCN(CC)c1ccc(NC(=O)NC[C@@H]2CCOC2)cn1 ZINC000048173887 175421287 /nfs/dbraw/zinc/42/12/87/175421287.db2.gz ACSKQGSWMFJQKF-LBPRGKRZSA-N 0 0 292.383 2.086 50 0 CEAARN COc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1F ZINC000048450819 175434170 /nfs/dbraw/zinc/43/41/70/175434170.db2.gz ILKUCRUEEFYVKZ-SECBINFHSA-N 0 0 268.288 2.087 50 0 CEAARN CNC(=O)c1ccc(NC(=O)NCc2cccs2)cc1 ZINC000048475627 175435040 /nfs/dbraw/zinc/43/50/40/175435040.db2.gz FUBRTFJEPRALOO-UHFFFAOYSA-N 0 0 289.360 2.429 50 0 CEAARN O=C1OCC[C@H]1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000048584205 175438395 /nfs/dbraw/zinc/43/83/95/175438395.db2.gz HIIJQPIOPNBTFA-CHWSQXEVSA-N 0 0 281.739 2.029 50 0 CEAARN COc1ccnc(NCc2ccc([C@H](C)O)cc2)n1 ZINC000048894379 175452445 /nfs/dbraw/zinc/45/24/45/175452445.db2.gz KCQFLYSSEWHCAS-JTQLQIEISA-N 0 0 259.309 2.151 50 0 CEAARN CC(C)[C@@H](C)NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000049282198 175471273 /nfs/dbraw/zinc/47/12/73/175471273.db2.gz LYIGMOVTKJNGPU-GFCCVEGCSA-N 0 0 293.392 2.195 50 0 CEAARN C[C@H](SCC(=O)NC(N)=O)c1ccc(Cl)cc1 ZINC000049462864 175480663 /nfs/dbraw/zinc/48/06/63/175480663.db2.gz SIYHRPAMHGNGKT-ZETCQYMHSA-N 0 0 272.757 2.329 50 0 CEAARN CC[C@H](NC(=O)N[C@@H](C)C(=O)N1CCCCC1)C(C)C ZINC000049518389 175485714 /nfs/dbraw/zinc/48/57/14/175485714.db2.gz OQDAPPCFXSHGAH-STQMWFEESA-N 0 0 283.416 2.121 50 0 CEAARN C[C@@H](CCc1ccco1)NC(=O)CCN1CCCCO1 ZINC000055154085 175572046 /nfs/dbraw/zinc/57/20/46/175572046.db2.gz ZUPYBYDREKVPQI-ZDUSSCGKSA-N 0 0 280.368 2.134 50 0 CEAARN O=C(C[C@@H]1C=CCC1)NC[C@H](O)COc1cccc(F)c1 ZINC000056669936 175585582 /nfs/dbraw/zinc/58/55/82/175585582.db2.gz MCDPLQUXNRMSPJ-OCCSQVGLSA-N 0 0 293.338 2.038 50 0 CEAARN CCn1nc(C)c2nc(C)nc(NC[C@H]3CCCO3)c21 ZINC000057355789 175594961 /nfs/dbraw/zinc/59/49/61/175594961.db2.gz YZLYGZAVEFWCHX-LLVKDONJSA-N 0 0 275.356 2.054 50 0 CEAARN COC[C@@H](C)NC(=O)CCSc1ccccc1F ZINC000057785583 175602163 /nfs/dbraw/zinc/60/21/63/175602163.db2.gz RQTUCXJGUJUCNI-SNVBAGLBSA-N 0 0 271.357 2.459 50 0 CEAARN COCc1cccc(NC(=O)N2CCO[C@@H](C)C2)c1 ZINC000058058577 175607395 /nfs/dbraw/zinc/60/73/95/175607395.db2.gz ZTOPSLBHRXSTTF-NSHDSACASA-N 0 0 264.325 2.086 50 0 CEAARN O=C(Nc1c[nH]ccc1=O)c1nccc2ccccc21 ZINC000058180749 175610445 /nfs/dbraw/zinc/61/04/45/175610445.db2.gz DJPRZZHWAIZAGN-UHFFFAOYSA-N 0 0 265.272 2.175 50 0 CEAARN CCOC(=O)C1(NC(=O)c2ccoc2)CCCCC1 ZINC000058264704 175614448 /nfs/dbraw/zinc/61/44/48/175614448.db2.gz ZSKXMHRDOGXYEM-UHFFFAOYSA-N 0 0 265.309 2.275 50 0 CEAARN O=C(CN1CCc2ccccc21)Nc1cccnc1 ZINC000058356201 175620396 /nfs/dbraw/zinc/62/03/96/175620396.db2.gz PHJFSSXZPPJPKK-UHFFFAOYSA-N 0 0 253.305 2.083 50 0 CEAARN Cn1nccc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000058418756 175624087 /nfs/dbraw/zinc/62/40/87/175624087.db2.gz 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/nfs/dbraw/zinc/44/08/38/364440838.db2.gz OKZNPSMJQWIFEN-UHFFFAOYSA-N 0 0 287.363 2.112 50 0 CEAARN CC(C)OCCCCNC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000097084115 364443173 /nfs/dbraw/zinc/44/31/73/364443173.db2.gz OPQHMNHIMVMWAY-BETUJISGSA-N 0 0 272.389 2.010 50 0 CEAARN O=C(c1cc(F)cc2nccnc21)N1CCc2cnccc21 ZINC000097084719 364443907 /nfs/dbraw/zinc/44/39/07/364443907.db2.gz BCRQGRIOIWEJNG-UHFFFAOYSA-N 0 0 294.289 2.367 50 0 CEAARN O=C(Nc1ccc(Cl)cc1F)N1CC[C@H](O)C1 ZINC000097085181 364445214 /nfs/dbraw/zinc/44/52/14/364445214.db2.gz RIZUOQYPLMERKH-QMMMGPOBSA-N 0 0 258.680 2.078 50 0 CEAARN CCCN(CC1CC1)S(=O)(=O)N1CCC[C@H](C)C1 ZINC000097132618 364459107 /nfs/dbraw/zinc/45/91/07/364459107.db2.gz BMGAZQZMJKMNJT-LBPRGKRZSA-N 0 0 274.430 2.085 50 0 CEAARN Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1ccccn1 ZINC000097135332 364459129 /nfs/dbraw/zinc/45/91/29/364459129.db2.gz RPFRSQNTBCMKHI-MRXNPFEDSA-N 0 0 281.359 2.063 50 0 CEAARN Cc1csc2nc(C)nc(NC[C@H](C)[S@](C)=O)c12 ZINC000097096827 364447651 /nfs/dbraw/zinc/44/76/51/364447651.db2.gz QTKPDKIRXKEFOH-DCXZOGHSSA-N 0 0 283.422 2.487 50 0 CEAARN Cc1noc(C)c1-c1csc(CN2C(=O)CCC2=O)n1 ZINC000097097840 364447676 /nfs/dbraw/zinc/44/76/76/364447676.db2.gz YBBMDFOKBFLMIP-UHFFFAOYSA-N 0 0 291.332 2.064 50 0 CEAARN CCC[C@@H]1C[C@H]1NC(=O)Nc1nc2ccc(F)cn2n1 ZINC000097136283 364459263 /nfs/dbraw/zinc/45/92/63/364459263.db2.gz HZFRMMIGUONRAO-PSASIEDQSA-N 0 0 277.303 2.179 50 0 CEAARN Cc1n[nH]c(NS(C)(=O)=O)c1-c1cccc(Cl)c1 ZINC000097098345 364449796 /nfs/dbraw/zinc/44/97/96/364449796.db2.gz MYTXVIOQYNAPBJ-UHFFFAOYSA-N 0 0 285.756 2.410 50 0 CEAARN O[C@@H]1CCC[C@@H]1Nc1ccc(Br)cn1 ZINC000097104661 364451428 /nfs/dbraw/zinc/45/14/28/364451428.db2.gz JKUUBSGXKJFOTQ-DTWKUNHWSA-N 0 0 257.131 2.169 50 0 CEAARN CN(C[C@@H]1CCCOC1)C(=O)Nc1ccncc1F ZINC000097135599 364459988 /nfs/dbraw/zinc/45/99/88/364459988.db2.gz DJRMRWGHBJUFGJ-JTQLQIEISA-N 0 0 267.304 2.111 50 0 CEAARN COC[C@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccco1 ZINC000097110651 364455448 /nfs/dbraw/zinc/45/54/48/364455448.db2.gz RWZQATABLMBLMF-MCIONIFRSA-N 0 0 294.395 2.061 50 0 CEAARN C[C@@H](c1ccccn1)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000097113655 364456325 /nfs/dbraw/zinc/45/63/25/364456325.db2.gz KPNHUPGZZAWDSS-LBPRGKRZSA-N 0 0 286.379 2.305 50 0 CEAARN CCOCCC(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000096414134 364421922 /nfs/dbraw/zinc/42/19/22/364421922.db2.gz OFHGUXDRONKCQU-ZDUSSCGKSA-N 0 0 292.379 2.277 50 0 CEAARN C[C@H](Cc1cccs1)NC(=O)NCCC1(C)OCCO1 ZINC000097115769 364457559 /nfs/dbraw/zinc/45/75/59/364457559.db2.gz KUKMBJAEOWCXIH-LLVKDONJSA-N 0 0 298.408 2.131 50 0 CEAARN Cc1n[nH]c(C)c1NC(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000097117512 364457771 /nfs/dbraw/zinc/45/77/71/364457771.db2.gz LZDWFQVQOIBPOU-UHFFFAOYSA-N 0 0 286.335 2.221 50 0 CEAARN CCCc1nnc(NCc2cc3ccccc3[nH]c2=O)o1 ZINC000097045425 364430027 /nfs/dbraw/zinc/43/00/27/364430027.db2.gz XCFJSWJEHYXOKM-UHFFFAOYSA-N 0 0 284.319 2.476 50 0 CEAARN CC[C@@H](C(=O)Nc1nc(C)c[nH]1)c1ccc(F)cc1 ZINC000097142000 364462673 /nfs/dbraw/zinc/46/26/73/364462673.db2.gz CDHHDWPLJZJLTF-GFCCVEGCSA-N 0 0 261.300 2.411 50 0 CEAARN Cc1cc(C)nc(NC(=O)NC2CCC(O)CC2)c1 ZINC000097142930 364464306 /nfs/dbraw/zinc/46/43/06/364464306.db2.gz BDYMVJTXPXTZBL-UHFFFAOYSA-N 0 0 263.341 2.123 50 0 CEAARN Cc1nc(C)n(CCCS(=O)(=O)c2cccc(C)c2)n1 ZINC000097144313 364464673 /nfs/dbraw/zinc/46/46/73/364464673.db2.gz PEUXDKGZIQBRHK-UHFFFAOYSA-N 0 0 293.392 2.067 50 0 CEAARN O=C(Nc1cnccn1)c1csc([C@@H]2CCCO2)n1 ZINC000097146393 364465949 /nfs/dbraw/zinc/46/59/49/364465949.db2.gz JAIUCODPTDZASS-VIFPVBQESA-N 0 0 276.321 2.037 50 0 CEAARN CCc1ncnc(N(C[C@@H]2CCOC2)C2CC2)c1F ZINC000097145569 364466018 /nfs/dbraw/zinc/46/60/18/364466018.db2.gz VISACBZCAGSBFA-JTQLQIEISA-N 0 0 265.332 2.183 50 0 CEAARN O=C(Nc1cn[nH]c1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000097159127 364468010 /nfs/dbraw/zinc/46/80/10/364468010.db2.gz NYXDRJXLDVTXQO-QMMMGPOBSA-N 0 0 296.739 2.256 50 0 CEAARN Cc1cccc(N2CCC(OC[C@H]3CCOC3)CC2)n1 ZINC000097163426 364469739 /nfs/dbraw/zinc/46/97/39/364469739.db2.gz MKEHEVJWTRSIIZ-AWEZNQCLSA-N 0 0 276.380 2.412 50 0 CEAARN Cc1nc2n(c1C)CCN(Cc1noc(C(C)(C)C)n1)C2 ZINC000097201711 364476041 /nfs/dbraw/zinc/47/60/41/364476041.db2.gz RSKPJQVVFBYFJY-UHFFFAOYSA-N 0 0 289.383 2.196 50 0 CEAARN CC(C)c1nc(CN2Cc3ccccc3C[C@@H]2C(N)=O)co1 ZINC000097217688 364480579 /nfs/dbraw/zinc/48/05/79/364480579.db2.gz NAXILTMAPUHBBB-OAHLLOKOSA-N 0 0 299.374 2.210 50 0 CEAARN C[C@H](CO)NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000097230823 364482193 /nfs/dbraw/zinc/48/21/93/364482193.db2.gz SQCOIXRMSQHYGG-ZCFIWIBFSA-N 0 0 281.661 2.469 50 0 CEAARN Cc1cccc(O)c1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000097233781 364484399 /nfs/dbraw/zinc/48/43/99/364484399.db2.gz AHKNXZAHNPEADI-SNVBAGLBSA-N 0 0 288.303 2.051 50 0 CEAARN Cc1cccc(N2CCC([C@@H](O)c3nccn3C)CC2)n1 ZINC000158118243 366852844 /nfs/dbraw/zinc/85/28/44/366852844.db2.gz VNLXNRMBNKKKMA-OAHLLOKOSA-N 0 0 286.379 2.074 50 0 CEAARN COc1c(Cl)cc(Cl)cc1-c1ncnn1CCO ZINC000097553204 364508956 /nfs/dbraw/zinc/50/89/56/364508956.db2.gz LUHLKEJINRBOHP-UHFFFAOYSA-N 0 0 288.134 2.253 50 0 CEAARN CC(C)O[C@@H](C)C(=O)NCc1snnc1C(C)C ZINC000097532890 364508992 /nfs/dbraw/zinc/50/89/92/364508992.db2.gz DUOGJIIYOMRJDO-VIFPVBQESA-N 0 0 271.386 2.091 50 0 CEAARN COC(=O)CCCC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000097378132 364496747 /nfs/dbraw/zinc/49/67/47/364496747.db2.gz INMJQEQIHLASOL-SWLSCSKDSA-N 0 0 267.369 2.368 50 0 CEAARN COc1ccc2c(c1)N(Cc1cnc3cnccn13)CCO2 ZINC000097379089 364496811 /nfs/dbraw/zinc/49/68/11/364496811.db2.gz GFRFAXWAVUWKOB-UHFFFAOYSA-N 0 0 296.330 2.137 50 0 CEAARN COc1ccc(CNC(=O)NC2Cc3ccccc3C2)cn1 ZINC000097377173 364497228 /nfs/dbraw/zinc/49/72/28/364497228.db2.gz ZOVMXTAKIFVPBA-UHFFFAOYSA-N 0 0 297.358 2.057 50 0 CEAARN O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1cnccn1 ZINC000097379993 364498635 /nfs/dbraw/zinc/49/86/35/364498635.db2.gz JNEZLUFZCUQZCP-UHFFFAOYSA-N 0 0 298.277 2.452 50 0 CEAARN O=C(NCC[C@@H]1CCCO1)NC1Cc2ccccc2C1 ZINC000097140157 364461717 /nfs/dbraw/zinc/46/17/17/364461717.db2.gz BMMSXQYWUFXWAR-HNNXBMFYSA-N 0 0 274.364 2.022 50 0 CEAARN COC(=O)c1cc(NC(C)=O)ccc1Br ZINC000097756794 364517872 /nfs/dbraw/zinc/51/78/72/364517872.db2.gz WZEICCRWPIHKCK-UHFFFAOYSA-N 0 0 272.098 2.194 50 0 CEAARN COC(=O)c1cc(N)cc(-c2ccc3c(c2)OCO3)c1 ZINC000097757376 364518021 /nfs/dbraw/zinc/51/80/21/364518021.db2.gz JGNPDULLHUUUKV-UHFFFAOYSA-N 0 0 271.272 2.451 50 0 CEAARN Cc1cc2cccc(C(=O)N[C@H]3CCCCNC3=O)c2o1 ZINC000097797192 364518566 /nfs/dbraw/zinc/51/85/66/364518566.db2.gz LXFGHJJUZQVKMS-ZDUSSCGKSA-N 0 0 286.331 2.140 50 0 CEAARN CC(C)(C)c1nc(CC(=O)Nc2cnns2)cs1 ZINC000191295004 189590221 /nfs/dbraw/zinc/59/02/21/189590221.db2.gz QHOVMLXIBICLRY-UHFFFAOYSA-N 0 0 282.394 2.473 50 0 CEAARN C[C@@H]1CN(C(=O)Cc2ccc(O)cc2Cl)[C@@H](C)CO1 ZINC000098020387 364522162 /nfs/dbraw/zinc/52/21/62/364522162.db2.gz PUGHHAWTJZDLAP-VHSXEESVSA-N 0 0 283.755 2.224 50 0 CEAARN COc1ccc(C(=O)Nc2cn(C)c(=O)cc2C)c(F)c1 ZINC000098018900 364522274 /nfs/dbraw/zinc/52/22/74/364522274.db2.gz XYDHYHFMZRYKNQ-UHFFFAOYSA-N 0 0 290.294 2.094 50 0 CEAARN O=S(=O)(N[C@H]1CCCSC1)c1cc(F)cc(F)c1 ZINC000098018511 364522557 /nfs/dbraw/zinc/52/25/57/364522557.db2.gz FJIYLEQJVLEYDO-JTQLQIEISA-N 0 0 293.360 2.139 50 0 CEAARN COc1cc2c(cc1/C=C\C(=O)N1CCC1)O[C@H](C)C2 ZINC000098054033 364526361 /nfs/dbraw/zinc/52/63/61/364526361.db2.gz PQMOTRZCANXRDV-DOGVGXBMSA-N 0 0 273.332 2.264 50 0 CEAARN O=c1ccnc(C=Cc2cnn(Cc3ccccc3)c2)[nH]1 ZINC000098052971 364526450 /nfs/dbraw/zinc/52/64/50/364526450.db2.gz SATAOZNLSNJHQV-SREVYHEPSA-N 0 0 278.315 2.185 50 0 CEAARN Cn1cc(CNCc2c(F)cccc2N2CCCC2)cn1 ZINC000098173342 364536641 /nfs/dbraw/zinc/53/66/41/364536641.db2.gz BKHPJFKYFQSOHW-UHFFFAOYSA-N 0 0 288.370 2.449 50 0 CEAARN COc1ccc(/C=C/C(=O)NCCCn2ccnc2)cc1 ZINC000100881886 364551392 /nfs/dbraw/zinc/55/13/92/364551392.db2.gz FTAAETDFRMBRCN-VMPITWQZSA-N 0 0 285.347 2.111 50 0 CEAARN CCOc1ncccc1CNC(=O)[C@@H]1CCOC(C)(C)C1 ZINC000097601025 364511296 /nfs/dbraw/zinc/51/12/96/364511296.db2.gz XTHBUSZTYDCHQT-GFCCVEGCSA-N 0 0 292.379 2.302 50 0 CEAARN O=C(c1cnc(C2CC2)[nH]c1=O)N1CCCCCCC1 ZINC000097660609 364514257 /nfs/dbraw/zinc/51/42/57/364514257.db2.gz KUPFYVXURBLGGE-UHFFFAOYSA-N 0 0 275.352 2.054 50 0 CEAARN CNc1ccnc(-c2ccccc2CN2CCOCC2)n1 ZINC000097655536 364514366 /nfs/dbraw/zinc/51/43/66/364514366.db2.gz PUCLWEMFMXBGJO-UHFFFAOYSA-N 0 0 284.363 2.018 50 0 CEAARN COC[C@H](c1ccccn1)N(C)C(=O)CCc1ccncc1 ZINC000097716907 364515942 /nfs/dbraw/zinc/51/59/42/364515942.db2.gz CVYBMLZMBRNIIB-MRXNPFEDSA-N 0 0 299.374 2.255 50 0 CEAARN Cc1ccc(C(=O)NCCCc2cnn(C)c2)s1 ZINC000102623680 364602592 /nfs/dbraw/zinc/60/25/92/364602592.db2.gz YSEKKHLQECLQEW-UHFFFAOYSA-N 0 0 263.366 2.153 50 0 CEAARN CCc1ccccc1C(=O)N1CC[S@](=O)CC1(C)C ZINC000193730511 189649375 /nfs/dbraw/zinc/64/93/75/189649375.db2.gz FRCQPOIVYCGXNH-IBGZPJMESA-N 0 0 279.405 2.232 50 0 CEAARN O=C(C[C@@H]1NC(=O)c2ccccc21)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000215379551 189692843 /nfs/dbraw/zinc/69/28/43/189692843.db2.gz LIXXFSTUZGGTBV-ZENOOKHLSA-N 0 0 296.370 2.286 50 0 CEAARN C[C@@H]1OCC[C@@H]1NC(=O)c1c(F)ccc(F)c1F ZINC000195567455 189681161 /nfs/dbraw/zinc/68/11/61/189681161.db2.gz STZBRSVZBRHBBJ-RCOVLWMOSA-N 0 0 259.227 2.011 50 0 CEAARN CC[C@@H](C(=O)OC)N(C(=O)[C@@H]1CCOC1)c1ccccc1 ZINC000117666854 365120247 /nfs/dbraw/zinc/12/02/47/365120247.db2.gz IRZVGICNPPRYPG-OCCSQVGLSA-N 0 0 291.347 2.008 50 0 CEAARN O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cc[nH]c1 ZINC000243919497 370790266 /nfs/dbraw/zinc/79/02/66/370790266.db2.gz BOIPKUVDAOJRGD-LOWVWBTDSA-N 0 0 276.361 2.318 50 0 CEAARN CNc1nc(CN(C)CCn2nc(C)cc2C)cs1 ZINC000244601880 370792897 /nfs/dbraw/zinc/79/28/97/370792897.db2.gz DTKBQZWRCQOHJY-UHFFFAOYSA-N 0 0 279.413 2.130 50 0 CEAARN C[C@H](CO)CSCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000242273829 370786756 /nfs/dbraw/zinc/78/67/56/370786756.db2.gz YGCOOSXPLTZXTN-UPJWGTAASA-N 0 0 273.442 2.385 50 0 CEAARN Nc1ccnc(CSc2nnc(C3CC3)s2)n1 ZINC000242339159 370786834 /nfs/dbraw/zinc/78/68/34/370786834.db2.gz ZFJONXCSXCDBPK-UHFFFAOYSA-N 0 0 265.367 2.080 50 0 CEAARN CN(Cc1nnc(-c2ccco2)o1)Cc1[nH]nc2c1CCC2 ZINC000244724245 370798167 /nfs/dbraw/zinc/79/81/67/370798167.db2.gz MQMZFWIORFCKMI-UHFFFAOYSA-N 0 0 299.334 2.173 50 0 CEAARN COc1ccnc(C[C@@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000244773955 370798539 /nfs/dbraw/zinc/79/85/39/370798539.db2.gz PJJIIVKSOHERJT-GFCCVEGCSA-N 0 0 283.331 2.081 50 0 CEAARN COCCN1C[C@@H](Cc2cc(C)c(C)c(C)n2)CC1=O ZINC000244816842 370801179 /nfs/dbraw/zinc/80/11/79/370801179.db2.gz SPMILTGMCHBQQB-AWEZNQCLSA-N 0 0 276.380 2.044 50 0 CEAARN CS[C@H](C)C(=O)O[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245316900 370808046 /nfs/dbraw/zinc/80/80/46/370808046.db2.gz LDLDNAOAVYKTFX-LMLFDSFASA-N 0 0 258.383 2.485 50 0 CEAARN O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCC=C(F)C1 ZINC000335986715 365255895 /nfs/dbraw/zinc/25/58/95/365255895.db2.gz NOPOKLQASYCAQW-LBPRGKRZSA-N 0 0 294.370 2.253 50 0 CEAARN CO[C@@H]1CCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000336086794 365389443 /nfs/dbraw/zinc/38/94/43/365389443.db2.gz BFWFDCRGCOBVFR-CQSZACIVSA-N 0 0 291.372 2.249 50 0 CEAARN COC(=O)[C@H]1CCCCN1C(=O)c1ccc(F)cc1C ZINC000120261572 365396921 /nfs/dbraw/zinc/39/69/21/365396921.db2.gz KKXQCYFYWOOISS-CYBMUJFWSA-N 0 0 279.311 2.302 50 0 CEAARN Cc1cc(C)n2nc(C(=O)Nc3ccccc3C)nc2n1 ZINC000002634244 169816856 /nfs/dbraw/zinc/81/68/56/169816856.db2.gz HEXZDINVNQLBKN-UHFFFAOYSA-N 0 0 281.319 2.302 50 0 CEAARN C[C@H](CNc1ncnc2sc3c(c21)CCC3)[S@](C)=O ZINC000160337050 366996581 /nfs/dbraw/zinc/99/65/81/366996581.db2.gz FHFHEALGGQCSLX-LILOVNGRSA-N 0 0 295.433 2.359 50 0 CEAARN COc1ccsc1S(=O)(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000583651610 367079119 /nfs/dbraw/zinc/07/91/19/367079119.db2.gz PJJUWRPEFWPIFH-VHSXEESVSA-N 0 0 287.406 2.224 50 0 CEAARN CCS[C@@H]1CCCCN(C(=O)c2ncc[nH]2)C1 ZINC000585102503 367177157 /nfs/dbraw/zinc/17/71/57/367177157.db2.gz SUBPYSTVAYEQIH-SNVBAGLBSA-N 0 0 253.371 2.158 50 0 CEAARN CCOc1cccc(C(=O)Nc2nnc(C3CC3)n2C)c1 ZINC000585113374 367179127 /nfs/dbraw/zinc/17/91/27/367179127.db2.gz VVGGFSWJWZVZDS-UHFFFAOYSA-N 0 0 286.335 2.344 50 0 CEAARN CNC(=O)Cn1cc(NC[C@@]2(C)C[C@@H]2c2ccccc2)cn1 ZINC000585117630 367180287 /nfs/dbraw/zinc/18/02/87/367180287.db2.gz OIBYLJYKQVAAOA-NVXWUHKLSA-N 0 0 298.390 2.235 50 0 CEAARN Cc1cc(C(=O)N2CCC(c3ncco3)CC2)ns1 ZINC000585123744 367181853 /nfs/dbraw/zinc/18/18/53/367181853.db2.gz AYZLSDOKMKZAOG-UHFFFAOYSA-N 0 0 277.349 2.459 50 0 CEAARN O=C(Nc1ccc(C(F)(F)F)c(F)c1)[C@H]1COCCO1 ZINC000585127879 367181882 /nfs/dbraw/zinc/18/18/82/367181882.db2.gz LLMWLZRJKHHVHL-SNVBAGLBSA-N 0 0 293.216 2.198 50 0 CEAARN NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(Cl)c1 ZINC000164338746 367284587 /nfs/dbraw/zinc/28/45/87/367284587.db2.gz LXRUOIVLAMVIGG-CABZTGNLSA-N 0 0 298.745 2.253 50 0 CEAARN CCc1cc(=O)oc2cc(OCCC3OCCO3)ccc12 ZINC000163559647 367250005 /nfs/dbraw/zinc/25/00/05/367250005.db2.gz FWWDIFFTFVNHLM-UHFFFAOYSA-N 0 0 290.315 2.497 50 0 CEAARN O=S1(=O)CCN(CCCCCF)[C@H]2CCCC[C@H]21 ZINC000341897639 367379090 /nfs/dbraw/zinc/37/90/90/367379090.db2.gz RAKJKEQZVUNBHC-QWHCGFSZSA-N 0 0 277.405 2.168 50 0 CEAARN Nc1ncncc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000170595929 367384764 /nfs/dbraw/zinc/38/47/64/367384764.db2.gz MJPOXDMELUOTKV-GFCCVEGCSA-N 0 0 288.738 2.130 50 0 CEAARN CCS(=O)(=O)c1ccc(NC[C@H](O)C(C)(C)C)cc1 ZINC000170604464 367385914 /nfs/dbraw/zinc/38/59/14/367385914.db2.gz QUDIGGVXJWHVNM-ZDUSSCGKSA-N 0 0 285.409 2.299 50 0 CEAARN C[C@H](C(=O)N[C@@H](C)c1nnnn1C1CC1)c1cccs1 ZINC000170611821 367386848 /nfs/dbraw/zinc/38/68/48/367386848.db2.gz SCZXJXRQTIQERB-IUCAKERBSA-N 0 0 291.380 2.050 50 0 CEAARN COc1cccc(CNC(=O)c2ncc(F)cc2F)c1 ZINC000170613536 367387169 /nfs/dbraw/zinc/38/71/69/367387169.db2.gz FLPZSRAAYWVRIU-UHFFFAOYSA-N 0 0 278.258 2.298 50 0 CEAARN c1ccn(-c2cnn(CCO[C@@H]3CCCCO3)c2)c1 ZINC000170620298 367388365 /nfs/dbraw/zinc/38/83/65/367388365.db2.gz CPTXFJLWXWEAJO-CQSZACIVSA-N 0 0 261.325 2.217 50 0 CEAARN O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000169684036 367370302 /nfs/dbraw/zinc/37/03/02/367370302.db2.gz MYCAFVCFAVJLQS-ZNMIVQPWSA-N 0 0 295.404 2.001 50 0 CEAARN CCOC(=O)c1sc(N(C)C2CCC(O)CC2)nc1C ZINC000170086573 367375817 /nfs/dbraw/zinc/37/58/17/367375817.db2.gz XARVGIFVLUOOIH-UHFFFAOYSA-N 0 0 298.408 2.368 50 0 CEAARN CC[C@@H]1NC(=O)N(CC2(c3ccc(F)cc3F)CC2)C1=O ZINC000170068491 367375958 /nfs/dbraw/zinc/37/59/58/367375958.db2.gz YNIZWKFKVXGCCY-LBPRGKRZSA-N 0 0 294.301 2.327 50 0 CEAARN CC(C)(C)c1csc(CNC(=O)c2cn[nH]c2)n1 ZINC000171579603 367570282 /nfs/dbraw/zinc/57/02/82/367570282.db2.gz AZZITYJDZLASAJ-UHFFFAOYSA-N 0 0 264.354 2.094 50 0 CEAARN Cc1noc(C2CCN(C(=O)N[C@H](C)CC3CC3)CC2)n1 ZINC000171855346 367629330 /nfs/dbraw/zinc/62/93/30/367629330.db2.gz LRCZSAIQVHJTQD-SNVBAGLBSA-N 0 0 292.383 2.456 50 0 CEAARN Cc1nc(C)n(Cc2ccc(Cn3nc(C)nc3C)cc2)n1 ZINC000225496368 189754104 /nfs/dbraw/zinc/75/41/04/189754104.db2.gz KJZPATKWOIMUPR-UHFFFAOYSA-N 0 0 296.378 2.200 50 0 CEAARN C[C@@]1(O)CCN(C(=O)c2cncc(-c3ccccc3)c2)C1 ZINC000176701477 368251293 /nfs/dbraw/zinc/25/12/93/368251293.db2.gz BMLMOYNVEBUBQB-QGZVFWFLSA-N 0 0 282.343 2.346 50 0 CEAARN O=C(N[C@@H]1C=CCCC1)c1ccccc1N1CCOCC1 ZINC000176811808 368253527 /nfs/dbraw/zinc/25/35/27/368253527.db2.gz DSZUUZDNPKXNCJ-CQSZACIVSA-N 0 0 286.375 2.362 50 0 CEAARN CCC(=O)[C@H]1CCCCN1C(=O)/C=C/c1cnn(C)c1C ZINC000185837398 368870049 /nfs/dbraw/zinc/87/00/49/368870049.db2.gz RURQOQFJFSWGBH-MYSGNRETSA-N 0 0 289.379 2.102 50 0 CEAARN COc1cc(F)cc(NC(=O)N[C@@H](C)[C@@H](C)OC)c1 ZINC000225525002 189756066 /nfs/dbraw/zinc/75/60/66/189756066.db2.gz OLKLCVROLNSUFX-DTWKUNHWSA-N 0 0 270.304 2.379 50 0 CEAARN COc1ccc(/C=C(\C)C(=O)N2CCC[C@H]2CO)cc1F ZINC000187319304 369138189 /nfs/dbraw/zinc/13/81/89/369138189.db2.gz BTFLGJOXDRUODY-YKWSONSWSA-N 0 0 293.338 2.221 50 0 CEAARN CC[C@@H](C)n1[nH]c(=NC(=O)c2cc[nH]c2C)cc1C ZINC000330684117 203114412 /nfs/dbraw/zinc/11/44/12/203114412.db2.gz JPHFPRLSOVWNEV-SECBINFHSA-N 0 0 260.341 2.473 50 0 CEAARN CN(CCO)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187456824 369162460 /nfs/dbraw/zinc/16/24/60/369162460.db2.gz STLOCQVZDCSCCY-HUUCEWRRSA-N 0 0 276.380 2.032 50 0 CEAARN O=S(=O)(NC[C@@H](O)c1csc2ccccc21)C1CC1 ZINC000225695378 189762179 /nfs/dbraw/zinc/76/21/79/189762179.db2.gz KLGCQFKBZZJPMT-GFCCVEGCSA-N 0 0 297.401 2.017 50 0 CEAARN O=C([C@H]1CCOC1)N1CCC(c2ccsc2)CC1 ZINC000187834688 369233605 /nfs/dbraw/zinc/23/36/05/369233605.db2.gz HUGPMASZXMVNAF-LBPRGKRZSA-N 0 0 265.378 2.491 50 0 CEAARN CN(C)c1ncccc1NC(=O)c1coc(CC2CC2)n1 ZINC000188423907 369354084 /nfs/dbraw/zinc/35/40/84/369354084.db2.gz KHVSCRVFWZULNU-UHFFFAOYSA-N 0 0 286.335 2.340 50 0 CEAARN Cc1noc(Cl)c1CCC(=O)Nc1cnns1 ZINC000188699688 369396936 /nfs/dbraw/zinc/39/69/36/369396936.db2.gz HOBAKUPUQFEHOQ-UHFFFAOYSA-N 0 0 272.717 2.059 50 0 CEAARN CC(C)[C@H](CNC(=O)c1ccc(=O)[nH]n1)Cc1ccccc1 ZINC000188779243 369408073 /nfs/dbraw/zinc/40/80/73/369408073.db2.gz YAPRPDBIRTXRON-AWEZNQCLSA-N 0 0 299.374 2.015 50 0 CEAARN COc1cccc(S(=O)(=O)CC[C@@H]2CCCO2)c1 ZINC000188922926 369428688 /nfs/dbraw/zinc/42/86/88/369428688.db2.gz APKJZYVWVNOURP-NSHDSACASA-N 0 0 270.350 2.038 50 0 CEAARN CCO[C@H](C(=O)Nc1cnns1)c1ccccc1 ZINC000189593244 369545329 /nfs/dbraw/zinc/54/53/29/369545329.db2.gz SDQXGLZNEVHSHK-NSHDSACASA-N 0 0 263.322 2.254 50 0 CEAARN C[C@@H](C[S@](C)=O)NC(=O)NCc1ccc(C2CC2)cc1 ZINC000189903647 369578643 /nfs/dbraw/zinc/57/86/43/369578643.db2.gz GUDGIVKLCYKVEL-YBTHPKLGSA-N 0 0 294.420 2.130 50 0 CEAARN C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2CO)CC1 ZINC000190953947 369664073 /nfs/dbraw/zinc/66/40/73/369664073.db2.gz UNFLEHMIUJQHJU-AGIUHOORSA-N 0 0 254.374 2.122 50 0 CEAARN CCn1cc(CNc2nncn2-c2ccccc2)cn1 ZINC000191584721 369724662 /nfs/dbraw/zinc/72/46/62/369724662.db2.gz JNEZBOUQQMEOSF-UHFFFAOYSA-N 0 0 268.324 2.096 50 0 CEAARN CC(C)(C)OC(=O)CCC(=O)NCc1ccc(Cl)cn1 ZINC000192352137 369801295 /nfs/dbraw/zinc/80/12/95/369801295.db2.gz UJYONDASLNZOCX-UHFFFAOYSA-N 0 0 298.770 2.473 50 0 CEAARN O=c1c2ccoc2ccn1CCO[C@H]1CCCCO1 ZINC000192838947 369860231 /nfs/dbraw/zinc/86/02/31/369860231.db2.gz NGMJGJDGFHPDND-ZDUSSCGKSA-N 0 0 263.293 2.138 50 0 CEAARN CC[C@H](Nc1ccc(C(=O)NC(C)C)c(C)c1)C(=O)OC ZINC000192847351 369861322 /nfs/dbraw/zinc/86/13/22/369861322.db2.gz RBTNQJWCUULEFD-AWEZNQCLSA-N 0 0 292.379 2.497 50 0 CEAARN CC(C)COC[C@H](O)Cn1cnc2cc(F)c(F)cc21 ZINC000193186348 369901822 /nfs/dbraw/zinc/90/18/22/369901822.db2.gz CSYNNOBRSUITAQ-SNVBAGLBSA-N 0 0 284.306 2.348 50 0 CEAARN CO[C@@H](C)C(=O)N(CC(F)F)c1ccc(F)cc1 ZINC000193862511 369986878 /nfs/dbraw/zinc/98/68/78/369986878.db2.gz HKBBQSOFHJOOEE-QMMMGPOBSA-N 0 0 261.243 2.459 50 0 CEAARN CC(=O)c1ccc(C(=O)Nc2nccc(C)n2)cc1 ZINC000194656149 370062030 /nfs/dbraw/zinc/06/20/30/370062030.db2.gz JOFIXLBRKFJONB-UHFFFAOYSA-N 0 0 255.277 2.240 50 0 CEAARN Cc1cc(=O)c(OCc2ncn(-c3ccccc3)n2)co1 ZINC000194685997 370064595 /nfs/dbraw/zinc/06/45/95/370064595.db2.gz CHRHCHAADDBFFF-UHFFFAOYSA-N 0 0 283.287 2.108 50 0 CEAARN CC(=O)Nc1cccc(COc2coc(C)cc2=O)c1 ZINC000194691379 370065923 /nfs/dbraw/zinc/06/59/23/370065923.db2.gz NGWVYEFGFGBDFX-UHFFFAOYSA-N 0 0 273.288 2.486 50 0 CEAARN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccon2)C1 ZINC000194870333 370083422 /nfs/dbraw/zinc/08/34/22/370083422.db2.gz AFPQTMPLKMOGDF-CQSZACIVSA-N 0 0 266.341 2.086 50 0 CEAARN COc1cccc(C(=O)N(C)C)c1[C@H](O)c1ccccc1 ZINC000214074808 370169602 /nfs/dbraw/zinc/16/96/02/370169602.db2.gz MNZUDGYNIYCVSI-MRXNPFEDSA-N 0 0 285.343 2.479 50 0 CEAARN CNC(=O)[C@H]1CCCCN1Cc1c(OC)ccc(F)c1F ZINC000215155101 370173087 /nfs/dbraw/zinc/17/30/87/370173087.db2.gz ACQJHFORRRWLIG-GFCCVEGCSA-N 0 0 298.333 2.074 50 0 CEAARN COc1cccc2ccc(CN3CCOCC3)nc21 ZINC000215389746 370174778 /nfs/dbraw/zinc/17/47/78/370174778.db2.gz POUXASPYXFZBPB-UHFFFAOYSA-N 0 0 258.321 2.076 50 0 CEAARN C[C@@H](c1ccon1)N(C)Cc1ccc(N(C)C)nc1 ZINC000215356561 370174905 /nfs/dbraw/zinc/17/49/05/370174905.db2.gz SKAKXUULHLIOKW-NSHDSACASA-N 0 0 260.341 2.329 50 0 CEAARN Cc1ccc(-c2ccccc2CN2CCOC[C@@H]2CO)o1 ZINC000215359757 370174933 /nfs/dbraw/zinc/17/49/33/370174933.db2.gz CIKQHAJCZAOGLR-HNNXBMFYSA-N 0 0 287.359 2.448 50 0 CEAARN CCn1ncnc1CN(C)C[C@H]1CCN(c2ccccc2)C1 ZINC000215350155 370174984 /nfs/dbraw/zinc/17/49/84/370174984.db2.gz WXJKHAHQIPEUPQ-OAHLLOKOSA-N 0 0 299.422 2.256 50 0 CEAARN CO[C@@H](C)CS(=O)(=O)N[C@@H]1CCCc2sccc21 ZINC000195456342 370132764 /nfs/dbraw/zinc/13/27/64/370132764.db2.gz KZKQFGDKHLZTSC-GXSJLCMTSA-N 0 0 289.422 2.080 50 0 CEAARN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1nnc(C)[nH]1 ZINC000195531090 370137145 /nfs/dbraw/zinc/13/71/45/370137145.db2.gz YTJOSWTXYOHSHV-WXHSDQCUSA-N 0 0 294.399 2.103 50 0 CEAARN CCOC(=O)N[C@@H](CNc1cc(C)cc[nH+]1)C1CC1 ZINC000195539189 370138097 /nfs/dbraw/zinc/13/80/97/370138097.db2.gz VWCYWYMAIPCQMJ-LBPRGKRZSA-N 0 0 263.341 2.327 50 0 CEAARN COC(=O)[C@H](C)CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000195540045 370138910 /nfs/dbraw/zinc/13/89/10/370138910.db2.gz YFEXLNVVNJCVON-BBBLOLIVSA-N 0 0 295.301 2.423 50 0 CEAARN Cc1cc(C(=O)NCCc2c(C)n[nH]c2C)c(C)o1 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/nfs/dbraw/zinc/75/53/40/284755340.db2.gz LDRYXDPRKJXBNV-JTQLQIEISA-N 0 0 276.727 2.088 50 0 CEAARN CCn1ncnc1[C@@H](C)NC(=O)Nc1cccnc1Cl ZINC000299764570 379128543 /nfs/dbraw/zinc/12/85/43/379128543.db2.gz AXLHJKRMKZYHPI-MRVPVSSYSA-N 0 0 294.746 2.229 50 0 CEAARN CCn1cnnc1[C@H](C)NC(=O)Nc1ccc(F)cc1F ZINC000299762292 379128695 /nfs/dbraw/zinc/12/86/95/379128695.db2.gz TUKFTTPWRYJSJS-QMMMGPOBSA-N 0 0 295.293 2.459 50 0 CEAARN CCC[C@H](NC(=O)c1ncoc1CC)c1nccn1C ZINC000299761106 379129653 /nfs/dbraw/zinc/12/96/53/379129653.db2.gz UXZXYSWVIFOLCS-JTQLQIEISA-N 0 0 276.340 2.242 50 0 CEAARN Cc1nnc(CN2CC[C@](O)(c3ccccc3C)C2)s1 ZINC000299764868 379131750 /nfs/dbraw/zinc/13/17/50/379131750.db2.gz UTMYBMOLAMHKNP-OAHLLOKOSA-N 0 0 289.404 2.248 50 0 CEAARN COCC1(C(=O)N[C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000299782922 379137633 /nfs/dbraw/zinc/13/76/33/379137633.db2.gz IFWDKCKGUKJSDH-ZDUSSCGKSA-N 0 0 299.374 2.476 50 0 CEAARN O=C(NCc1nc2cc(Cl)ccc2[nH]1)[C@H]1CCCCO1 ZINC000299789819 379139786 /nfs/dbraw/zinc/13/97/86/379139786.db2.gz AMNHMLIRIREPSG-GFCCVEGCSA-N 0 0 293.754 2.402 50 0 CEAARN Cc1nnc([C@H](C)NC(=O)Nc2cccc(N(C)C)c2)[nH]1 ZINC000299797707 379143078 /nfs/dbraw/zinc/14/30/78/379143078.db2.gz NXZYJMIFVLDRJF-VIFPVBQESA-N 0 0 288.355 2.062 50 0 CEAARN COc1ccnc(Sc2nccn2Cc2ccccn2)n1 ZINC000301230344 379224829 /nfs/dbraw/zinc/22/48/29/379224829.db2.gz AKCPRKBPSJMLDF-UHFFFAOYSA-N 0 0 299.359 2.276 50 0 CEAARN C[C@H]1CN(C(=O)c2cc3ccccc3oc2=O)C[C@H](C)O1 ZINC000000038007 169512842 /nfs/dbraw/zinc/51/28/42/169512842.db2.gz XFQOLANCBCHPSH-QWRGUYRKSA-N 0 0 287.315 2.042 50 0 CEAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000000041447 169514878 /nfs/dbraw/zinc/51/48/78/169514878.db2.gz QGHWHUHDQUDRRI-GFCCVEGCSA-N 0 0 278.283 2.017 50 0 CEAARN CCOc1cc(C(=S)N2CCOCC2)ccc1OC ZINC000000049247 169517266 /nfs/dbraw/zinc/51/72/66/169517266.db2.gz LUXMVGZIXQCNQU-UHFFFAOYSA-N 0 0 281.377 2.102 50 0 CEAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1n[nH]c2c1CCCCC2 ZINC000334159384 380245406 /nfs/dbraw/zinc/24/54/06/380245406.db2.gz SEPIRRXVGFZPGW-LZTQFINJSA-N 0 0 297.380 2.174 50 0 CEAARN CCCc1c(C(=O)Nc2nc[nH]n2)cnn1-c1ccccc1 ZINC000000147605 169553899 /nfs/dbraw/zinc/55/38/99/169553899.db2.gz VGGZREIBRODBSU-UHFFFAOYSA-N 0 0 296.334 2.195 50 0 CEAARN Cc1ccc(C)c(OCC(=O)Nc2nncs2)c1C ZINC000000148503 169554282 /nfs/dbraw/zinc/55/42/82/169554282.db2.gz BKQDANDBINLQKS-UHFFFAOYSA-N 0 0 277.349 2.481 50 0 CEAARN COc1ccccc1NC(=O)Cn1c2ccccc2oc1=O ZINC000000203845 169573926 /nfs/dbraw/zinc/57/39/26/169573926.db2.gz RKDDDYLOHSKGGL-UHFFFAOYSA-N 0 0 298.298 2.242 50 0 CEAARN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000000209865 169575589 /nfs/dbraw/zinc/57/55/89/169575589.db2.gz FSXZHPKASQRHDG-UHFFFAOYSA-N 0 0 253.367 2.416 50 0 CEAARN O=C1Nc2ccccc2S[C@@H](c2ccco2)[C@@H]1O ZINC000038575698 284939919 /nfs/dbraw/zinc/93/99/19/284939919.db2.gz SIRCNGIATOPMGP-RYUDHWBXSA-N 0 0 261.302 2.426 50 0 CEAARN Cc1c[nH]c(=O)n1-c1ccc(C(=O)N2CCCCC2)cc1 ZINC000044980062 542338939 /nfs/dbraw/zinc/33/89/39/542338939.db2.gz ZMXYHECYAJYKLN-UHFFFAOYSA-N 0 0 285.347 2.100 50 0 CEAARN COCc1nnc(NC(=O)Cc2ccc(C)cc2)s1 ZINC000000464828 169647609 /nfs/dbraw/zinc/64/76/09/169647609.db2.gz JXQCVKYIJXFBRH-UHFFFAOYSA-N 0 0 277.349 2.174 50 0 CEAARN C[C@@H](Cn1cccn1)NC(=O)N(C)Cc1ccsc1 ZINC000044969632 184562437 /nfs/dbraw/zinc/56/24/37/184562437.db2.gz LVCNZQHSRKBKCC-NSHDSACASA-N 0 0 278.381 2.175 50 0 CEAARN CC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC000000514399 169659805 /nfs/dbraw/zinc/65/98/05/169659805.db2.gz PKECGXIXGFEZRR-GHMZBOCLSA-N 0 0 251.326 2.377 50 0 CEAARN O=C1CSC2=NCN(c3ccc(Cl)cc3)CN12 ZINC000001308757 296341785 /nfs/dbraw/zinc/34/17/85/296341785.db2.gz UYJCVEYXHXLXPL-UHFFFAOYSA-N 0 0 267.741 2.006 50 0 CEAARN O=C(NCCF)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000280948538 195041258 /nfs/dbraw/zinc/04/12/58/195041258.db2.gz JVFMEJBEGCYWKG-OLZOCXBDSA-N 0 0 284.306 2.315 50 0 CEAARN O=C1NC(=O)C(=Cc2cc3c(cc2Cl)OCO3)S1 ZINC000000975834 296356573 /nfs/dbraw/zinc/35/65/73/296356573.db2.gz FLYFYOTWBGRFQC-XNWCZRBMSA-N 0 0 283.692 2.393 50 0 CEAARN O=C1NCCC[C@@H]1Nc1ncc(Cl)cc1Cl ZINC000050396734 296369631 /nfs/dbraw/zinc/36/96/31/296369631.db2.gz SBHZLDBFGMYFKJ-QMMMGPOBSA-N 0 0 260.124 2.079 50 0 CEAARN O=c1[nH]nc2c(Oc3ccccc3)nc3ccccc3n12 ZINC000021730154 285203545 /nfs/dbraw/zinc/20/35/45/285203545.db2.gz ZDJMQQZQGDEXPY-UHFFFAOYSA-N 0 0 278.271 2.363 50 0 CEAARN O=C1O[C@@](O)(C(Cl)(Cl)Cl)c2ccccc21 ZINC000000494560 296410881 /nfs/dbraw/zinc/41/08/81/296410881.db2.gz QOYSPUANDGEOID-MRVPVSSYSA-N 0 0 267.495 2.372 50 0 CEAARN C[C@@H](C(=O)N1CCOC2(CCCC2)C1)n1cc(Cl)cn1 ZINC000426494480 533211280 /nfs/dbraw/zinc/21/12/80/533211280.db2.gz OSCHYNQVBYOKMS-NSHDSACASA-N 0 0 297.786 2.269 50 0 CEAARN CC(C)=CC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000096425989 256758883 /nfs/dbraw/zinc/75/88/83/256758883.db2.gz HFJFXORYHVIYQW-GXTWGEPZSA-N 0 0 272.348 2.263 50 0 CEAARN O=C1C[C@@H](c2nc(C3CC3)no2)c2ccccc2N1 ZINC000096405265 256790820 /nfs/dbraw/zinc/79/08/20/256790820.db2.gz NZRIJGZZTUFWLM-SNVBAGLBSA-N 0 0 255.277 2.421 50 0 CEAARN O=C(NCCO)c1ccc(Oc2ccccc2Cl)o1 ZINC000096183841 256793964 /nfs/dbraw/zinc/79/39/64/256793964.db2.gz PULBHUOYJBAUCN-UHFFFAOYSA-N 0 0 281.695 2.447 50 0 CEAARN C[C@](CO)(NC(=O)c1coc2ccccc12)C1CC1 ZINC000095443422 256880780 /nfs/dbraw/zinc/88/07/80/256880780.db2.gz FSEKDLJCGHDGNL-OAHLLOKOSA-N 0 0 259.305 2.324 50 0 CEAARN CCCn1ncc(-c2nc([C@@H]3CCOC3)no2)c1C ZINC000096164941 256886628 /nfs/dbraw/zinc/88/66/28/256886628.db2.gz KVLITNNDVNQXPX-SNVBAGLBSA-N 0 0 262.313 2.155 50 0 CEAARN [NH3+]Cc1cccc(NC(=O)Cc2ccc(O)cc2)c1 ZINC000012648126 260063068 /nfs/dbraw/zinc/06/30/68/260063068.db2.gz CRXOKWUOABODAI-UHFFFAOYSA-N 0 0 256.305 2.032 50 0 CEAARN Cc1ccnc(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000000851753 169680840 /nfs/dbraw/zinc/68/08/40/169680840.db2.gz ITNORDBLOBPAOO-UHFFFAOYSA-N 0 0 256.261 2.371 50 0 CEAARN Cc1cc(NC(=O)N2CCOC[C@@H]2CC(C)C)no1 ZINC000072283356 291953256 /nfs/dbraw/zinc/95/32/56/291953256.db2.gz XRVRHTIRGZISHF-NSHDSACASA-N 0 0 267.329 2.262 50 0 CEAARN NC(=O)CSc1nc(Cl)cc2ccccc21 ZINC000095099985 184945233 /nfs/dbraw/zinc/94/52/33/184945233.db2.gz JRAHBBVAJBMUIM-UHFFFAOYSA-N 0 0 252.726 2.466 50 0 CEAARN CC(C)c1cccc(Oc2nccn3nnnc23)c1 ZINC000095407592 184970297 /nfs/dbraw/zinc/97/02/97/184970297.db2.gz AZIPZLDBPMOSHA-UHFFFAOYSA-N 0 0 255.281 2.435 50 0 CEAARN CCn1cc(C(=O)OC[C@H]2Cc3ccccc3O2)cn1 ZINC000095415950 184973429 /nfs/dbraw/zinc/97/34/29/184973429.db2.gz WRFGVBZRMXRJFF-CYBMUJFWSA-N 0 0 272.304 2.064 50 0 CEAARN CC(C)Oc1cccc(CNC(=O)N[C@@H]2CCO[C@@H]2C)c1 ZINC000095448651 184989013 /nfs/dbraw/zinc/98/90/13/184989013.db2.gz IIXZILJOMQGXCT-IUODEOHRSA-N 0 0 292.379 2.450 50 0 CEAARN CC[C@H](Cc1ccc(C)cc1)NC(=O)[C@@]1(O)CCSC1 ZINC000095451790 184989984 /nfs/dbraw/zinc/98/99/84/184989984.db2.gz WWNKSDWCRCVBPG-GDBMZVCRSA-N 0 0 293.432 2.300 50 0 CEAARN O=C(Nc1cccnc1)c1cncc(Br)c1 ZINC000001507198 169710338 /nfs/dbraw/zinc/71/03/38/169710338.db2.gz FHAMEVOECBJOOC-UHFFFAOYSA-N 0 0 278.109 2.491 50 0 CEAARN O=C1c2ccccc2C(=O)N1CSC[C@@H]1CCCO1 ZINC000191749946 130293927 /nfs/dbraw/zinc/29/39/27/130293927.db2.gz VAGWRAGIBJGAGP-JTQLQIEISA-N 0 0 277.345 2.152 50 0 CEAARN c1cc2c(ncnc2N2CC[C@]3(CCOC3)C2)s1 ZINC000084618327 285453908 /nfs/dbraw/zinc/45/39/08/285453908.db2.gz DCCXRBBAPSTTDN-ZDUSSCGKSA-N 0 0 261.350 2.308 50 0 CEAARN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@H]1CSC(=O)N1 ZINC000247954467 131107807 /nfs/dbraw/zinc/10/78/07/131107807.db2.gz ZOIKALMVTCPUHO-KGYLQXTDSA-N 0 0 290.388 2.216 50 0 CEAARN C[C@H]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)CC1 ZINC000250887505 131127891 /nfs/dbraw/zinc/12/78/91/131127891.db2.gz ADOXIZWXBUFGAW-AULYBMBSSA-N 0 0 261.369 2.456 50 0 CEAARN O=C(C1CCC1)N1CCNC[C@H]1c1cccc(F)c1 ZINC000261966984 131180337 /nfs/dbraw/zinc/18/03/37/131180337.db2.gz MWDHVEAMJVDRLH-AWEZNQCLSA-N 0 0 262.328 2.099 50 0 CEAARN Cc1ccccc1[C@H]1CCN(C(=O)NCCn2ccnc2)C1 ZINC000263769037 131326209 /nfs/dbraw/zinc/32/62/09/131326209.db2.gz ZKCTWHBJEXEHFG-HNNXBMFYSA-N 0 0 298.390 2.391 50 0 CEAARN CCC(=O)N1CCCc2ccc(NS(=O)(=O)CC)cc21 ZINC000008793635 134670752 /nfs/dbraw/zinc/67/07/52/134670752.db2.gz KFAIKULJXDPTEW-UHFFFAOYSA-N 0 0 296.392 2.137 50 0 CEAARN Cc1cc(N2CCO[C@@H](C)C2)nc(-c2ccncc2)n1 ZINC000084114719 135031686 /nfs/dbraw/zinc/03/16/86/135031686.db2.gz PIPPELWVAKYOIN-LBPRGKRZSA-N 0 0 270.336 2.072 50 0 CEAARN CC1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000000059892 394447801 /nfs/dbraw/zinc/44/78/01/394447801.db2.gz FIXLEFCUUAFOBU-CQSZACIVSA-N 0 0 290.338 2.190 50 0 CEAARN CS(=O)(=O)c1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000000032415 394447951 /nfs/dbraw/zinc/44/79/51/394447951.db2.gz WEKSYQULOBMQPM-UHFFFAOYSA-N 0 0 299.355 2.338 50 0 CEAARN CCOC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@@H]2C(F)F ZINC000002534350 394453162 /nfs/dbraw/zinc/45/31/62/394453162.db2.gz JXOCISZRSNXSGP-NXEZZACHSA-N 0 0 285.294 2.460 50 0 CEAARN Cc1cc(=O)c2c([O-])c(-c3cccc[n+]3C)coc-2c1 ZINC000005956934 394459464 /nfs/dbraw/zinc/45/94/64/394459464.db2.gz LPMVVPFBACBPMO-UHFFFAOYSA-O 0 0 268.292 2.299 50 0 CEAARN O[C@@H]1COCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000219460453 394459987 /nfs/dbraw/zinc/45/99/87/394459987.db2.gz ROXLBXXQWLNPEE-RKDXNWHRSA-N 0 0 296.676 2.316 50 0 CEAARN Cc1cc(NC(=O)[C@H](C)N(C)Cc2cnc(C)s2)on1 ZINC000047259274 394513307 /nfs/dbraw/zinc/51/33/07/394513307.db2.gz XYBQXGDWDHPUFB-VIFPVBQESA-N 0 0 294.380 2.207 50 0 CEAARN Cc1c(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cnn1C ZINC000047006397 394513465 /nfs/dbraw/zinc/51/34/65/394513465.db2.gz PHQAQJIJFRICAY-BXUZGUMPSA-N 0 0 279.384 2.054 50 0 CEAARN O=C(Nc1nccs1)c1cc(Br)c[nH]1 ZINC000015480379 394466211 /nfs/dbraw/zinc/46/62/11/394466211.db2.gz LYZFHAPQLMIFQF-UHFFFAOYSA-N 0 0 272.127 2.486 50 0 CEAARN COc1cc(C=O)ccc1OCCNC(=O)OC(C)(C)C ZINC000022052792 394474393 /nfs/dbraw/zinc/47/43/93/394474393.db2.gz ONQJWNUBKOGDHF-UHFFFAOYSA-N 0 0 295.335 2.411 50 0 CEAARN CC1CCC(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 ZINC000023976598 394475558 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Cc1ccc(C(=O)Nn2cnc3ccccc32)cn1 ZINC000022414744 171386932 /nfs/dbraw/zinc/38/69/32/171386932.db2.gz HJOFYWXKZYALMM-UHFFFAOYSA-N 0 0 252.277 2.124 50 0 CEAARN CN(C)c1ccc(NC(=O)c2cc(Cl)cn2C)cn1 ZINC000022420588 171387595 /nfs/dbraw/zinc/38/75/95/171387595.db2.gz CXORBLHEZWVGAN-UHFFFAOYSA-N 0 0 278.743 2.392 50 0 CEAARN Cc1cc(-c2nn3c(Cc4ccccc4)nnc3s2)n[nH]1 ZINC000022504182 171389177 /nfs/dbraw/zinc/38/91/77/171389177.db2.gz CIXRLJCOVCUDJX-UHFFFAOYSA-N 0 0 296.359 2.475 50 0 CEAARN COC[C@H](C)NC(=O)CCC(=O)c1cc(C)sc1C ZINC000022624726 171394797 /nfs/dbraw/zinc/39/47/97/171394797.db2.gz XLEKCRZJYLVLHL-VIFPVBQESA-N 0 0 283.393 2.479 50 0 CEAARN CC(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000022757009 171398020 /nfs/dbraw/zinc/39/80/20/171398020.db2.gz ZJNJKWUQOIACFZ-UHFFFAOYSA-N 0 0 296.370 2.071 50 0 CEAARN Cc1nc(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2C)sc1C ZINC000022771227 171398647 /nfs/dbraw/zinc/39/86/47/171398647.db2.gz NORNBKAQQVZEDQ-HKPALBBZSA-N 0 0 282.365 2.286 50 0 CEAARN 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Cc1cc(=O)cc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)o1 ZINC000215468875 370176161 /nfs/dbraw/zinc/17/61/61/370176161.db2.gz OIQWWVJABMFBPJ-AWEZNQCLSA-N 0 0 299.326 2.024 50 0 CEAARN COc1cc(CN2CC(O)C2)ccc1OCC=C(C)C ZINC000215737249 370179139 /nfs/dbraw/zinc/17/91/39/370179139.db2.gz VULQOAQVMOEMCA-UHFFFAOYSA-N 0 0 277.364 2.217 50 0 CEAARN CCSc1ncc(C[N@H+](C)CCCn2cccn2)cn1 ZINC000215722371 370179263 /nfs/dbraw/zinc/17/92/63/370179263.db2.gz UUWJFPSKGBFTSM-UHFFFAOYSA-N 0 0 291.424 2.307 50 0 CEAARN COCCOCC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000195540575 370138261 /nfs/dbraw/zinc/13/82/61/370138261.db2.gz JEHIRFMEKREMEB-NHYWBVRUSA-N 0 0 267.344 2.312 50 0 CEAARN C[C@@H]1CCN(CCS(C)(=O)=O)[C@@H](c2ccco2)C1 ZINC000195531599 370138458 /nfs/dbraw/zinc/13/84/58/370138458.db2.gz HBKFFXVYWYZIBM-VXGBXAGGSA-N 0 0 271.382 2.097 50 0 CEAARN COC(=O)[C@H]1CN(C(=O)c2cc[nH]c2C)c2ccccc21 ZINC000195535236 370138717 /nfs/dbraw/zinc/13/87/17/370138717.db2.gz LGIPYRFPFBPYOI-ZDUSSCGKSA-N 0 0 284.315 2.240 50 0 CEAARN CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000195559757 370142125 /nfs/dbraw/zinc/14/21/25/370142125.db2.gz FJBNRTQQTORBHX-MCIONIFRSA-N 0 0 296.411 2.360 50 0 CEAARN C[C@H](CCc1cccc(F)c1)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000195558426 370142451 /nfs/dbraw/zinc/14/24/51/370142451.db2.gz PURZZWHMEDCVSN-OLZOCXBDSA-N 0 0 299.411 2.266 50 0 CEAARN COCCN1C[C@@H](Cc2cc(F)cc(F)c2)CC1=O ZINC000222304893 370253620 /nfs/dbraw/zinc/25/36/20/370253620.db2.gz HPZKHTBZMLYIEA-NSHDSACASA-N 0 0 269.291 2.002 50 0 CEAARN Cc1nc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)nc2c1CCCC2 ZINC000220188101 370231251 /nfs/dbraw/zinc/23/12/51/370231251.db2.gz VYTGGTNTSWFJIG-VNHYZAJKSA-N 0 0 297.402 2.492 50 0 CEAARN O[C@@]12CCCC[C@H]1CN(c1ccc3nccnc3n1)CC2 ZINC000220349607 370232330 /nfs/dbraw/zinc/23/23/30/370232330.db2.gz QOHYUXSQEOVPJJ-BLLLJJGKSA-N 0 0 284.363 2.156 50 0 CEAARN CCSCC(=O)NCC[C@H]1COc2ccccc2O1 ZINC000220499320 370233990 /nfs/dbraw/zinc/23/39/90/370233990.db2.gz AAPIONBXPXNSKL-NSHDSACASA-N 0 0 281.377 2.086 50 0 CEAARN CO[C@@H]1CCC[C@@H]1OC(=O)c1ccc2c(c1)N(C)CC2 ZINC000221861740 370245920 /nfs/dbraw/zinc/24/59/20/370245920.db2.gz VHMXZZFAHLHAPQ-CABCVRRESA-N 0 0 275.348 2.403 50 0 CEAARN CC(C)c1nc(CN2CCC[C@@H](N3CCCC3=O)C2)co1 ZINC000216256324 370186871 /nfs/dbraw/zinc/18/68/71/370186871.db2.gz LFEZPTDNNOMHFU-CQSZACIVSA-N 0 0 291.395 2.385 50 0 CEAARN O=C(c1ccoc1)N1CC(Oc2ccc(F)cc2)C1 ZINC000216548399 370190146 /nfs/dbraw/zinc/19/01/46/370190146.db2.gz JRRUKXVFFZRJGL-UHFFFAOYSA-N 0 0 261.252 2.322 50 0 CEAARN O=C(Nc1cccs1)N1CC[C@@H](Oc2cnccn2)C1 ZINC000225796529 370319105 /nfs/dbraw/zinc/31/91/05/370319105.db2.gz ZMUJVLKSMNAJQI-SNVBAGLBSA-N 0 0 290.348 2.223 50 0 CEAARN CC(C)c1noc(CCNC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)n1 ZINC000223019447 370259551 /nfs/dbraw/zinc/25/95/51/370259551.db2.gz LJVWXPUSPDTMKO-AGIUHOORSA-N 0 0 289.379 2.454 50 0 CEAARN CCCc1cncnc1N[C@@H]1CCOC[C@H]1OCC1CC1 ZINC000223912519 370273204 /nfs/dbraw/zinc/27/32/04/370273204.db2.gz XEUFPDSMVSRENJ-HUUCEWRRSA-N 0 0 291.395 2.425 50 0 CEAARN O=S(=O)(c1cccc(Cl)c1)N1CCCn2nccc21 ZINC000225393860 370291737 /nfs/dbraw/zinc/29/17/37/370291737.db2.gz IODUWGLTKKNDAO-UHFFFAOYSA-N 0 0 297.767 2.136 50 0 CEAARN CCOC(=O)[C@@H](CC)Sc1nc(N)cc(CC)n1 ZINC000225445629 370295720 /nfs/dbraw/zinc/29/57/20/370295720.db2.gz NCUIOCOCTGZGFH-SECBINFHSA-N 0 0 269.370 2.055 50 0 CEAARN O=C1N[C@]2(CCSC2)C(=O)N1CCC1=CCCCC1 ZINC000225450586 370295746 /nfs/dbraw/zinc/29/57/46/370295746.db2.gz LIFTVGVEEFZUNC-AWEZNQCLSA-N 0 0 280.393 2.304 50 0 CEAARN CCNC(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O ZINC000225508583 370301157 /nfs/dbraw/zinc/30/11/57/370301157.db2.gz ONLLONNBGGGXMY-UHFFFAOYSA-N 0 0 285.347 2.346 50 0 CEAARN O=C(Nc1cccc(Br)c1)c1cc(=O)[nH]cn1 ZINC000225524300 370301309 /nfs/dbraw/zinc/30/13/09/370301309.db2.gz HUNXPSMXYIVKEF-UHFFFAOYSA-N 0 0 294.108 2.197 50 0 CEAARN O=C(NCCc1cncnc1)Nc1ccccc1Cl ZINC000225590116 370306375 /nfs/dbraw/zinc/30/63/75/370306375.db2.gz DBUQDYLEZRNQPM-UHFFFAOYSA-N 0 0 276.727 2.494 50 0 CEAARN CCO[C@@H](CC)C(=O)N1C[C@@H](C)Oc2ncccc21 ZINC000225603880 370306564 /nfs/dbraw/zinc/30/65/64/370306564.db2.gz FPMGJMBOONLZMW-PWSUYJOCSA-N 0 0 264.325 2.011 50 0 CEAARN CCOC[C@@H](NC(=O)c1ccn(C(C)C)n1)C(C)C ZINC000225598010 370306779 /nfs/dbraw/zinc/30/67/79/370306779.db2.gz ASWUEMZVNSLZIF-CYBMUJFWSA-N 0 0 267.373 2.255 50 0 CEAARN Cc1ncc(NC(=O)c2cscn2)c(C2CC2)n1 ZINC000225590212 370306975 /nfs/dbraw/zinc/30/69/75/370306975.db2.gz WKSDCIJRLBUAAJ-UHFFFAOYSA-N 0 0 260.322 2.371 50 0 CEAARN c1cc(-c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)co1 ZINC000225601264 370306979 /nfs/dbraw/zinc/30/69/79/370306979.db2.gz AJJXMRDGIPNIEK-NEPJUHHUSA-N 0 0 275.308 2.255 50 0 CEAARN O=C(Cc1cccs1)NCc1cnn2c1CCCC2 ZINC000225609811 370308371 /nfs/dbraw/zinc/30/83/71/370308371.db2.gz DEXUGXYMQCCTMV-UHFFFAOYSA-N 0 0 275.377 2.140 50 0 CEAARN CCO[C@@H](CC)C(=O)N1C[C@H](C)Oc2ncccc21 ZINC000225603933 370308494 /nfs/dbraw/zinc/30/84/94/370308494.db2.gz FPMGJMBOONLZMW-JQWIXIFHSA-N 0 0 264.325 2.011 50 0 CEAARN C[C@]1(C(=O)Nc2ccon2)CC(c2ccc(F)cc2)=NO1 ZINC000226747457 370351469 /nfs/dbraw/zinc/35/14/69/370351469.db2.gz PTXAVXNBAQFYGV-CQSZACIVSA-N 0 0 289.266 2.336 50 0 CEAARN Cc1cc(NC(=O)COc2ccn(-c3ccccc3)n2)no1 ZINC000226853558 370353650 /nfs/dbraw/zinc/35/36/50/370353650.db2.gz ANUSXYUTSINSLY-UHFFFAOYSA-N 0 0 298.302 2.186 50 0 CEAARN Cc1ccc(CNC(=O)[C@@H](C)N2CCCCCC2=O)cc1 ZINC000227115729 370361022 /nfs/dbraw/zinc/36/10/22/370361022.db2.gz MWAIBRNEXWXMQN-CQSZACIVSA-N 0 0 288.391 2.402 50 0 CEAARN CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)NC1CC1 ZINC000227153556 370362620 /nfs/dbraw/zinc/36/26/20/370362620.db2.gz ZSKCKWDWZQQWOT-UHFFFAOYSA-N 0 0 285.347 2.308 50 0 CEAARN O=C(N[C@H]1CCOc2ccccc21)c1ccnc(F)c1 ZINC000041039305 284217241 /nfs/dbraw/zinc/21/72/41/284217241.db2.gz MDYTWNCHWITGBX-LBPRGKRZSA-N 0 0 272.279 2.474 50 0 CEAARN C[C@@H]1CCN(C(=O)c2nccnc2N)[C@H]2CCCC[C@@H]12 ZINC000229901425 370433186 /nfs/dbraw/zinc/43/31/86/370433186.db2.gz QNKVFMWVSUHKDK-WOPDTQHZSA-N 0 0 274.368 2.100 50 0 CEAARN O=C(Nc1ccncc1F)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000230112103 370439855 /nfs/dbraw/zinc/43/98/55/370439855.db2.gz DRLZEHXLIIAHBT-UFGOTCBOSA-N 0 0 279.315 2.300 50 0 CEAARN CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)[O-])C1(CC)CC ZINC000236848605 370639798 /nfs/dbraw/zinc/63/97/98/370639798.db2.gz NURGWSKPHUAWDH-VXGBXAGGSA-N 0 0 257.374 2.377 50 0 CEAARN CC(C)OCC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000246776891 371009279 /nfs/dbraw/zinc/00/92/79/371009279.db2.gz GYKRDDHYBSXPIK-UPJWGTAASA-N 0 0 255.358 2.129 50 0 CEAARN CC(C)[C@@H](CO)NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000128048019 321697701 /nfs/dbraw/zinc/69/77/01/321697701.db2.gz DADRWFRDXCQJKK-GHMZBOCLSA-N 0 0 296.333 2.424 50 0 CEAARN CC(C)n1cnnc1SCCOCC(F)F ZINC000252497045 371447492 /nfs/dbraw/zinc/44/74/92/371447492.db2.gz PXXODLAEMPBXFS-UHFFFAOYSA-N 0 0 251.302 2.233 50 0 CEAARN O=c1c2ccc(F)cc2ncn1C[C@@H](O)CC1CCCC1 ZINC000252510902 371450453 /nfs/dbraw/zinc/45/04/53/371450453.db2.gz ZRCLXWWQGXAKGA-ZDUSSCGKSA-N 0 0 290.338 2.477 50 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/nfs/dbraw/zinc/39/22/24/170392224.db2.gz HLBSQOGDZGEBJD-UHFFFAOYSA-N 0 0 291.420 2.114 50 0 CEAARN Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccc2c(c1)OCO2 ZINC000010223956 170401706 /nfs/dbraw/zinc/40/17/06/170401706.db2.gz IAZVTMUMWRBRLK-FNORWQNLSA-N 0 0 299.330 2.418 50 0 CEAARN C[C@H](Sc1ncccc1Cl)C(=O)NC(=O)NC1CC1 ZINC000011252174 170416848 /nfs/dbraw/zinc/41/68/48/170416848.db2.gz DDCIBGKVLIIJFU-ZETCQYMHSA-N 0 0 299.783 2.204 50 0 CEAARN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)cn1 ZINC000012385009 170483473 /nfs/dbraw/zinc/48/34/73/170483473.db2.gz QUBHNDUWMCHAGR-SVRRBLITSA-N 0 0 255.115 2.439 50 0 CEAARN CSCC[C@H](NC(C)=O)c1nc2ccccc2[nH]1 ZINC000012540943 170495593 /nfs/dbraw/zinc/49/55/93/170495593.db2.gz DYWBTIONCXWZCA-LBPRGKRZSA-N 0 0 263.366 2.493 50 0 CEAARN COC(=O)Cc1sc(=O)[nH]c1Nc1ccc(OC)cc1 ZINC000012564377 170497884 /nfs/dbraw/zinc/49/78/84/170497884.db2.gz BQZPUPFAJHQIQO-SNVBAGLBSA-N 0 0 294.332 2.304 50 0 CEAARN COc1cc(CNC(=O)c2cc(F)cc(F)c2)ccn1 ZINC000012731640 170505738 /nfs/dbraw/zinc/50/57/38/170505738.db2.gz XHSGTTAWSDURBX-UHFFFAOYSA-N 0 0 278.258 2.298 50 0 CEAARN O=C(NCCc1ccco1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000012847248 170513533 /nfs/dbraw/zinc/51/35/33/170513533.db2.gz NSFSYPRFVMCIBS-FUNVUKJBSA-N 0 0 275.348 2.334 50 0 CEAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc[nH]c2=S)C1 ZINC000012850792 170513987 /nfs/dbraw/zinc/51/39/87/170513987.db2.gz IWPHQGJGIMYGGT-NXEZZACHSA-N 0 0 250.367 2.488 50 0 CEAARN COC(=O)C1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000012926147 170520986 /nfs/dbraw/zinc/52/09/86/170520986.db2.gz QUXRJIZIOQSZNL-UHFFFAOYSA-N 0 0 298.342 2.260 50 0 CEAARN O=C(Cc1nc(=O)c2ccccc2s1)Nc1cccnc1 ZINC000012961166 170523576 /nfs/dbraw/zinc/52/35/76/170523576.db2.gz NQYPFJZQBGGGIO-UHFFFAOYSA-N 0 0 297.339 2.233 50 0 CEAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC1CC1 ZINC000012972806 170523649 /nfs/dbraw/zinc/52/36/49/170523649.db2.gz XWECEFGVMSLDPE-UHFFFAOYSA-N 0 0 272.352 2.460 50 0 CEAARN CC(=O)N[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)C(C)C ZINC000012984931 170525708 /nfs/dbraw/zinc/52/57/08/170525708.db2.gz HWKWGCHJYVSCMR-HZPDHXFCSA-N 0 0 288.391 2.341 50 0 CEAARN O=C1[C@@H]2CCCN2[C@@H](c2cccnc2)N1c1nccs1 ZINC000013150488 170536800 /nfs/dbraw/zinc/53/68/00/170536800.db2.gz QSMKITWZKQJBGZ-NWDGAFQWSA-N 0 0 286.360 2.048 50 0 CEAARN CCOC(=O)c1cccc(NC(=O)c2cc(C)on2)c1 ZINC000013327178 170545039 /nfs/dbraw/zinc/54/50/39/170545039.db2.gz VUCSLGWEUFXZDZ-UHFFFAOYSA-N 0 0 274.276 2.412 50 0 CEAARN CC(C)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000013331093 170545525 /nfs/dbraw/zinc/54/55/25/170545525.db2.gz VOXQYXHNUHCVRR-CYBMUJFWSA-N 0 0 277.364 2.436 50 0 CEAARN O=C(NC1CC1)c1cc2nccc(-c3cccs3)n2n1 ZINC000013643966 170572403 /nfs/dbraw/zinc/57/24/03/170572403.db2.gz UCKOFZYCLHXUTJ-UHFFFAOYSA-N 0 0 284.344 2.350 50 0 CEAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cccc2nonc21 ZINC000013946916 170611519 /nfs/dbraw/zinc/61/15/19/170611519.db2.gz LSMOLRJFBROLOT-AOOOYVTPSA-N 0 0 295.364 2.174 50 0 CEAARN Cc1cccc(O[C@H](C)C(=O)Nc2ccn(C)n2)c1 ZINC000014899548 170647668 /nfs/dbraw/zinc/64/76/68/170647668.db2.gz CKCDTYCVVYDPRK-LLVKDONJSA-N 0 0 259.309 2.135 50 0 CEAARN COC(=O)CCC(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000015072946 170656031 /nfs/dbraw/zinc/65/60/31/170656031.db2.gz VTYKBATWOBWWKE-CQSZACIVSA-N 0 0 290.363 2.043 50 0 CEAARN Cc1n[nH]c(C)c1CC(=O)NCCc1ccc(C)cc1 ZINC000015769287 170676555 /nfs/dbraw/zinc/67/65/55/170676555.db2.gz KDLKTDLLUMSDLE-UHFFFAOYSA-N 0 0 271.364 2.236 50 0 CEAARN Cc1ccc(CNC(=O)CNC(=O)c2cccc(C)c2)cc1 ZINC000015896890 170681277 /nfs/dbraw/zinc/68/12/77/170681277.db2.gz FWCZTCGQJROLTJ-UHFFFAOYSA-N 0 0 296.370 2.350 50 0 CEAARN CCCCN1C[C@H](C(=O)Nc2cccc(OC)c2)CC1=O ZINC000016552254 170701587 /nfs/dbraw/zinc/70/15/87/170701587.db2.gz XLTVXFAWEXGERM-GFCCVEGCSA-N 0 0 290.363 2.282 50 0 CEAARN CCOc1ccc(CN(C)C(=O)c2ccc[nH]c2=O)cc1 ZINC000018074342 170741814 /nfs/dbraw/zinc/74/18/14/170741814.db2.gz IOAJNPQMUZHDFJ-UHFFFAOYSA-N 0 0 286.331 2.458 50 0 CEAARN O=C(CN1CCCCC1)Nc1cccc2nsnc21 ZINC000019077156 170752107 /nfs/dbraw/zinc/75/21/07/170752107.db2.gz LGFVISDVADWWOQ-UHFFFAOYSA-N 0 0 276.365 2.116 50 0 CEAARN O=CN1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000019633266 170832541 /nfs/dbraw/zinc/83/25/41/170832541.db2.gz HPOAITUHTWOCNG-UHFFFAOYSA-N 0 0 273.163 2.267 50 0 CEAARN O=S1(=O)CC[C@@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000019772606 170857286 /nfs/dbraw/zinc/85/72/86/170857286.db2.gz ASIOTYFCSDXNRV-SNVBAGLBSA-N 0 0 294.203 2.270 50 0 CEAARN COc1cccc(-c2cc3[nH]c4c(c(=O)n3n2)CCC4)c1 ZINC000019797075 170869742 /nfs/dbraw/zinc/86/97/42/170869742.db2.gz KIIIQTFKJDWIHR-UHFFFAOYSA-N 0 0 281.315 2.187 50 0 CEAARN [NH3+][C@@H](CCC(=O)[O-])c1ccc(Br)cc1 ZINC000020217235 171080223 /nfs/dbraw/zinc/08/02/23/171080223.db2.gz RLDFNQNAOBFSQI-VIFPVBQESA-N 0 0 258.115 2.314 50 0 CEAARN Cc1noc(C)c1CC(=O)N[C@@H]1COC2(C1)CCCCC2 ZINC000020294448 171134935 /nfs/dbraw/zinc/13/49/35/171134935.db2.gz MYLAIVXPZQZZQD-ZDUSSCGKSA-N 0 0 292.379 2.442 50 0 CEAARN COc1ccccc1N[C@H](C)C(=O)NCC(C)C ZINC000020312655 171145114 /nfs/dbraw/zinc/14/51/14/171145114.db2.gz KUESXCVDUIBDIL-LLVKDONJSA-N 0 0 250.342 2.268 50 0 CEAARN COC(=O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1 ZINC000020386457 171176629 /nfs/dbraw/zinc/17/66/29/171176629.db2.gz CCVTYMKZPBFGAT-NXEZZACHSA-N 0 0 257.742 2.217 50 0 CEAARN Cn1cccc1-c1cc(-c2nc(C[C@@H]3CCCO3)no2)n[nH]1 ZINC000020534983 171240708 /nfs/dbraw/zinc/24/07/08/171240708.db2.gz GCISNZLGSNZCGJ-JTQLQIEISA-N 0 0 299.334 2.187 50 0 CEAARN Cc1ncoc1C(=O)N1CCc2[nH]nc(CC(C)C)c2C1 ZINC000020539535 171241420 /nfs/dbraw/zinc/24/14/20/171241420.db2.gz BFMAYOOAFLVQSW-UHFFFAOYSA-N 0 0 288.351 2.103 50 0 CEAARN Cc1ccc(O)c(-c2nc(C[C@H]3CCCO3)no2)c1 ZINC000020599156 171266480 /nfs/dbraw/zinc/26/64/80/171266480.db2.gz XGKWTEXZIJCTHQ-SNVBAGLBSA-N 0 0 260.293 2.472 50 0 CEAARN O=S1(=O)N[C@@H](c2ccccc2F)Nc2ccccc21 ZINC000020618465 171267962 /nfs/dbraw/zinc/26/79/62/171267962.db2.gz FWQFDDJFIVCSPA-ZDUSSCGKSA-N 0 0 278.308 2.228 50 0 CEAARN CC(=O)c1ccccc1OCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020653489 171269518 /nfs/dbraw/zinc/26/95/18/171269518.db2.gz BFZRFXDXCRRAPL-CHWSQXEVSA-N 0 0 277.364 2.377 50 0 CEAARN COC(=O)CNC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000020739865 171271456 /nfs/dbraw/zinc/27/14/56/171271456.db2.gz ZJNYZNOONSEIOE-UHFFFAOYSA-N 0 0 292.722 2.034 50 0 CEAARN CC(=O)Nc1ccc(NC(=O)C[C@@H](C)n2cccn2)cc1 ZINC000020991007 171283169 /nfs/dbraw/zinc/28/31/69/171283169.db2.gz YPDVLGQTBQRAGL-LLVKDONJSA-N 0 0 286.335 2.431 50 0 CEAARN COc1ccc(NC(=O)C[C@@H](C)n2cccn2)cc1OC ZINC000020990633 171283183 /nfs/dbraw/zinc/28/31/83/171283183.db2.gz RHHLIJZMIMOHNY-LLVKDONJSA-N 0 0 289.335 2.490 50 0 CEAARN CNc1snc(C)c1C(=O)NCc1nc(C)cs1 ZINC000021022645 171290815 /nfs/dbraw/zinc/29/08/15/171290815.db2.gz KRWLEFMJZVJGEH-UHFFFAOYSA-N 0 0 282.394 2.188 50 0 CEAARN Cc1cccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)c1 ZINC000021110213 171297639 /nfs/dbraw/zinc/29/76/39/171297639.db2.gz SLBTXZAIQVVRPA-UHFFFAOYSA-N 0 0 297.358 2.069 50 0 CEAARN COc1cccc(CNc2c(C)c(C)nc3ncnn32)c1 ZINC000021096720 171297870 /nfs/dbraw/zinc/29/78/70/171297870.db2.gz ZGVHJFSVJGPTEK-UHFFFAOYSA-N 0 0 283.335 2.362 50 0 CEAARN COc1ccc(CC(=O)Nc2nc(C)ns2)cc1 ZINC000021175530 171298827 /nfs/dbraw/zinc/29/88/27/171298827.db2.gz REERTGYVAQTACB-UHFFFAOYSA-N 0 0 263.322 2.036 50 0 CEAARN O=C(CCc1cnn(-c2ccccc2)c1)Nc1nncs1 ZINC000021215220 171299664 /nfs/dbraw/zinc/29/96/64/171299664.db2.gz NAGDRRWSKAYMII-UHFFFAOYSA-N 0 0 299.359 2.295 50 0 CEAARN C[C@H](OC(=O)c1ccc(-c2ccccc2F)o1)C(N)=O ZINC000021594362 171317116 /nfs/dbraw/zinc/31/71/16/171317116.db2.gz ZKJYZFXBJMRLCN-QMMMGPOBSA-N 0 0 277.251 2.116 50 0 CEAARN C[C@H](C(=O)NC1CCCC1)N(C)Cc1ccco1 ZINC000021581793 171317372 /nfs/dbraw/zinc/31/73/72/171317372.db2.gz OWEPFRFTKIMTIR-LLVKDONJSA-N 0 0 250.342 2.159 50 0 CEAARN CCCCC(=O)N1CCN(Cc2nc(C)cs2)CC1 ZINC000021687087 171319184 /nfs/dbraw/zinc/31/91/84/171319184.db2.gz RTKFGZLYNHZAAP-UHFFFAOYSA-N 0 0 281.425 2.286 50 0 CEAARN COC(=O)c1sccc1N1Cc2ccncc2C1=O ZINC000021882866 171335710 /nfs/dbraw/zinc/33/57/10/171335710.db2.gz JDFWOBRPNFMIJM-UHFFFAOYSA-N 0 0 274.301 2.090 50 0 CEAARN COc1cc(/C=C/C(=O)Nc2ccn(C)n2)cc(OC)c1 ZINC000021974613 171344356 /nfs/dbraw/zinc/34/43/56/171344356.db2.gz ZIRILZLENGVAIT-SNAWJCMRSA-N 0 0 287.319 2.089 50 0 CEAARN Cc1cc(C)cc(CN2C(=O)N[C@@]3(CCSC3)C2=O)c1 ZINC000022140977 171354921 /nfs/dbraw/zinc/35/49/21/171354921.db2.gz RFOBZDQSLHCCHU-OAHLLOKOSA-N 0 0 290.388 2.231 50 0 CEAARN Cc1cc(C)n(CCC(=O)Nc2ncccc2C)n1 ZINC000022317631 171384666 /nfs/dbraw/zinc/38/46/66/171384666.db2.gz PZFZKSSMHMFJEF-UHFFFAOYSA-N 0 0 258.325 2.232 50 0 CEAARN O=C1NCCCC[C@@H]1Sc1nccc(C(F)(F)F)n1 ZINC000022614678 171394437 /nfs/dbraw/zinc/39/44/37/171394437.db2.gz DHQOJUKGTHCFCU-ZETCQYMHSA-N 0 0 291.298 2.256 50 0 CEAARN C[C@@H](NC(=O)COc1ccc(F)cc1)c1ccncc1 ZINC000022621820 171394675 /nfs/dbraw/zinc/39/46/75/171394675.db2.gz ZRDQOKNIILIEFP-LLVKDONJSA-N 0 0 274.295 2.477 50 0 CEAARN Cc1noc(C(C)C)c1C(=O)NC[C@@H]1CCCO1 ZINC000022621016 171394679 /nfs/dbraw/zinc/39/46/79/171394679.db2.gz IHFPACLHJXPQSG-JTQLQIEISA-N 0 0 252.314 2.015 50 0 CEAARN COC[C@H](C)NC(=O)CCc1c[nH]c2ccccc12 ZINC000022624338 171394869 /nfs/dbraw/zinc/39/48/69/171394869.db2.gz ABNQEBDNMWSJJO-NSHDSACASA-N 0 0 260.337 2.252 50 0 CEAARN CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000023198341 171416162 /nfs/dbraw/zinc/41/61/62/171416162.db2.gz PPYDEUYYBYOIMR-PRHODGIISA-N 0 0 281.331 2.156 50 0 CEAARN NC(=O)c1cnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000024975382 171445396 /nfs/dbraw/zinc/44/53/96/171445396.db2.gz QTTLFXQKNOQHKI-UHFFFAOYSA-N 0 0 281.724 2.148 50 0 CEAARN Cc1cc(CN(C)C(=O)c2cn3ccc(C)cc3n2)no1 ZINC000025137405 171449644 /nfs/dbraw/zinc/44/96/44/171449644.db2.gz YPSLUFAWHXRUSU-UHFFFAOYSA-N 0 0 284.319 2.211 50 0 CEAARN C[C@@H]1CCC[C@@H](NC(=O)CCNC(=O)c2ccoc2)C1 ZINC000025274036 171452731 /nfs/dbraw/zinc/45/27/31/171452731.db2.gz VHYVAIRBOYQQTI-DGCLKSJQSA-N 0 0 278.352 2.094 50 0 CEAARN Cc1cc(NC[C@H]2COc3ccccc3C2)n2ncnc2n1 ZINC000026758742 171498873 /nfs/dbraw/zinc/49/88/73/171498873.db2.gz CPQYZXZIWWBXOV-LBPRGKRZSA-N 0 0 295.346 2.096 50 0 CEAARN Cc1cc(CNc2cc(S(C)(=O)=O)ccc2F)no1 ZINC000026790422 171499777 /nfs/dbraw/zinc/49/97/77/171499777.db2.gz YXZRTCYNKUTXHU-UHFFFAOYSA-N 0 0 284.312 2.138 50 0 CEAARN C[C@H]1CCCCN1S(=O)(=O)NCCCc1ccccc1 ZINC000027938222 171540199 /nfs/dbraw/zinc/54/01/99/171540199.db2.gz UKYSBBRQOREYRY-AWEZNQCLSA-N 0 0 296.436 2.328 50 0 CEAARN CCn1cc(CCC(=O)Nc2ccncc2)c(C)n1 ZINC000028576440 171565519 /nfs/dbraw/zinc/56/55/19/171565519.db2.gz YMNPGVDCIYCOPQ-UHFFFAOYSA-N 0 0 258.325 2.178 50 0 CEAARN COCC(=O)Nc1ccc(Oc2ccccc2OC)nc1 ZINC000031773482 171646955 /nfs/dbraw/zinc/64/69/55/171646955.db2.gz VYVJYZWOXYEHAN-UHFFFAOYSA-N 0 0 288.303 2.467 50 0 CEAARN Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)no1 ZINC000031928654 171662777 /nfs/dbraw/zinc/66/27/77/171662777.db2.gz AQIFRBAWNLNQTH-UHFFFAOYSA-N 0 0 287.275 2.192 50 0 CEAARN CSc1ncc(C(=O)N(C)C)n1-c1ccccc1 ZINC000032719857 171745258 /nfs/dbraw/zinc/74/52/58/171745258.db2.gz XHXBQAZHNCJGGT-UHFFFAOYSA-N 0 0 261.350 2.296 50 0 CEAARN CCSc1nncn1-c1cccc(NC(C)=O)c1 ZINC000032778406 171749982 /nfs/dbraw/zinc/74/99/82/171749982.db2.gz LXMDDSPILOLHBM-UHFFFAOYSA-N 0 0 262.338 2.338 50 0 CEAARN Cc1nc(CSc2nnnn2C2CC2)cs1 ZINC000032823731 171753564 /nfs/dbraw/zinc/75/35/64/171753564.db2.gz AMACODLQYAADNJ-UHFFFAOYSA-N 0 0 253.356 2.065 50 0 CEAARN C[C@H]1CN(C(=O)CCn2ccc3ccccc32)CCO1 ZINC000032865184 171756528 /nfs/dbraw/zinc/75/65/28/171756528.db2.gz IQONPQBXYCNAKY-ZDUSSCGKSA-N 0 0 272.348 2.279 50 0 CEAARN CC(=O)Nc1ccc(C(=O)OCc2cc(C)no2)s1 ZINC000032865512 171756639 /nfs/dbraw/zinc/75/66/39/171756639.db2.gz XGCAJHDNZMRMTL-UHFFFAOYSA-N 0 0 280.305 2.360 50 0 CEAARN Cc1noc(C)c1C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000032899794 171758457 /nfs/dbraw/zinc/75/84/57/171758457.db2.gz BJPFMIXNFHOSIK-UHFFFAOYSA-N 0 0 285.307 2.134 50 0 CEAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC000032906757 171760151 /nfs/dbraw/zinc/76/01/51/171760151.db2.gz WGZGRXMWCFQSBU-CHWSQXEVSA-N 0 0 284.363 2.385 50 0 CEAARN O=C(CCCNC(=O)C1CC1)Nc1ccc2ccccc2n1 ZINC000032914212 171761856 /nfs/dbraw/zinc/76/18/56/171761856.db2.gz MMMTXVUZLUMZKS-UHFFFAOYSA-N 0 0 297.358 2.480 50 0 CEAARN CCC(=O)Nc1nc2ccc(NC(=O)COC)cc2s1 ZINC000032961178 171765174 /nfs/dbraw/zinc/76/51/74/171765174.db2.gz LEQDMHDUJJHTCQ-UHFFFAOYSA-N 0 0 293.348 2.230 50 0 CEAARN Cc1cc(NC(=O)COC(=O)/C=C\c2ccc(C)o2)no1 ZINC000033462698 171804010 /nfs/dbraw/zinc/80/40/10/171804010.db2.gz IWDHROQYIIYWTB-WAYWQWQTSA-N 0 0 290.275 2.080 50 0 CEAARN COC(=O)c1c(Br)ccc(OC)c1OC ZINC000034396627 171838497 /nfs/dbraw/zinc/83/84/97/171838497.db2.gz YKWLJHHVEGPBRJ-UHFFFAOYSA-N 0 0 275.098 2.253 50 0 CEAARN COc1ccccc1-c1cc(C(=O)NCC(C)C)n(C)n1 ZINC000034903355 171891980 /nfs/dbraw/zinc/89/19/80/171891980.db2.gz SPZMXZJOSCBWIV-UHFFFAOYSA-N 0 0 287.363 2.482 50 0 CEAARN CC(C)(C)C(=O)CSc1nnnn1C1CCCC1 ZINC000035045114 171948425 /nfs/dbraw/zinc/94/84/25/171948425.db2.gz RCKDNDUKXRUSJU-UHFFFAOYSA-N 0 0 268.386 2.496 50 0 CEAARN CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000035153154 172015635 /nfs/dbraw/zinc/01/56/35/172015635.db2.gz CUVAMNKNTVOTHF-ABZNLYFFSA-N 0 0 277.320 2.095 50 0 CEAARN COC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1F ZINC000035178465 172031965 /nfs/dbraw/zinc/03/19/65/172031965.db2.gz ZIDCELQNEINZFN-NSHDSACASA-N 0 0 285.702 2.257 50 0 CEAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000035406767 172177657 /nfs/dbraw/zinc/17/76/57/172177657.db2.gz GSZDKHDADJNBHG-GFCCVEGCSA-N 0 0 278.352 2.000 50 0 CEAARN CCn1c2ccc(-c3noc(C4CC4)n3)cc2[nH]c1=O ZINC000035481997 172222392 /nfs/dbraw/zinc/22/23/92/172222392.db2.gz XGWFLLUBMZMQCW-UHFFFAOYSA-N 0 0 270.292 2.277 50 0 CEAARN C[C@H](NC(=O)C1CCC1)c1nc(-c2ccccn2)no1 ZINC000035537940 172244466 /nfs/dbraw/zinc/24/44/66/172244466.db2.gz PDKRSJGESQQILE-VIFPVBQESA-N 0 0 272.308 2.109 50 0 CEAARN CC1=C(C)CN(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)CC1 ZINC000285330215 196252749 /nfs/dbraw/zinc/25/27/49/196252749.db2.gz VICPFFZZWHELGV-ZIAGYGMSSA-N 0 0 289.379 2.066 50 0 CEAARN O=C(CCc1ccccc1Cl)NCC(=O)N1CCCC1 ZINC000036391221 172630213 /nfs/dbraw/zinc/63/02/13/172630213.db2.gz AXQQXFQKSMZYQL-UHFFFAOYSA-N 0 0 294.782 2.011 50 0 CEAARN NC(=O)Cc1ccccc1NC(=O)c1cc(F)cc(F)c1 ZINC000036395470 172632836 /nfs/dbraw/zinc/63/28/36/172632836.db2.gz WSSLWZMZBVUYBT-UHFFFAOYSA-N 0 0 290.269 2.245 50 0 CEAARN CCSc1nnc(S[C@H](C)C(=O)OC)s1 ZINC000036397237 172634457 /nfs/dbraw/zinc/63/44/57/172634457.db2.gz BJCXSEQAEMYORZ-RXMQYKEDSA-N 0 0 264.397 2.304 50 0 CEAARN Cc1nnc(NC(=O)Cc2ccc(F)cc2F)n1C1CC1 ZINC000285555454 196325069 /nfs/dbraw/zinc/32/50/69/196325069.db2.gz YOVBGMMANRCGOY-UHFFFAOYSA-N 0 0 292.289 2.381 50 0 CEAARN Cc1noc(CNC(=O)CCc2c[nH]c3ccccc23)n1 ZINC000038035211 174033258 /nfs/dbraw/zinc/03/32/58/174033258.db2.gz YDVKYLITJYSPSI-UHFFFAOYSA-N 0 0 284.319 2.108 50 0 CEAARN C[C@@H](CNC(=O)c1ccccc1)NC(=O)c1ccccc1 ZINC000038200568 174136829 /nfs/dbraw/zinc/13/68/29/174136829.db2.gz YHRGPZZLWDLNKT-ZDUSSCGKSA-N 0 0 282.343 2.235 50 0 CEAARN CON(C)C(=O)[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000038518583 174143831 /nfs/dbraw/zinc/14/38/31/174143831.db2.gz CNTQVZYSRYLVBU-QWRGUYRKSA-N 0 0 286.372 2.090 50 0 CEAARN [NH3+][C@@H](Cc1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000038530072 174144113 /nfs/dbraw/zinc/14/41/13/174144113.db2.gz HIWSTWSGMRXBSV-QMMMGPOBSA-N 0 0 267.634 2.313 50 0 CEAARN CCc1noc([C@H]2CC(=O)N(c3ccccc3)C2)n1 ZINC000038911728 174159607 /nfs/dbraw/zinc/15/96/07/174159607.db2.gz LCLKQQUDXFYOKJ-JTQLQIEISA-N 0 0 257.293 2.153 50 0 CEAARN CC1(C)[C@@]2(C(=O)Nc3cccnc3)CC[C@]1(C)C(=O)O2 ZINC000039715180 174171832 /nfs/dbraw/zinc/17/18/32/174171832.db2.gz QEGRQZMIAZLWRC-CABCVRRESA-N 0 0 274.320 2.142 50 0 CEAARN CN(C[C@@H]1COc2ccccc2O1)c1cncc(Cl)n1 ZINC000040030876 174183616 /nfs/dbraw/zinc/18/36/16/174183616.db2.gz VJBROOKNYYDBCK-SNVBAGLBSA-N 0 0 291.738 2.406 50 0 CEAARN Cn1ncc(C(=O)Nc2ccccc2)c1-n1cccc1 ZINC000040050932 174185142 /nfs/dbraw/zinc/18/51/42/174185142.db2.gz NQEJQTKZQGQKJS-UHFFFAOYSA-N 0 0 266.304 2.463 50 0 CEAARN CN(C(=O)c1cc(=O)[nH]c2ccccc21)c1nccs1 ZINC000040087964 174187909 /nfs/dbraw/zinc/18/79/09/174187909.db2.gz CKVSVDRDUAYBCH-UHFFFAOYSA-N 0 0 285.328 2.261 50 0 CEAARN C[C@H]1C[C@@H](N(C)Cc2ccc(Br)o2)C(=O)O1 ZINC000040088693 174188829 /nfs/dbraw/zinc/18/88/29/174188829.db2.gz SNDOBHNMFNBQQJ-IONNQARKSA-N 0 0 288.141 2.178 50 0 CEAARN C[C@@H](NC(=O)CNC(=O)C1CCCC1)c1cccs1 ZINC000040088722 174188855 /nfs/dbraw/zinc/18/88/55/174188855.db2.gz OFGZBXUFVZJHDI-SNVBAGLBSA-N 0 0 280.393 2.232 50 0 CEAARN CCOC(=O)c1cn2ccc(Br)cc2n1 ZINC000040448035 174265635 /nfs/dbraw/zinc/26/56/35/174265635.db2.gz ZNBQFCWFNJYWEE-UHFFFAOYSA-N 0 0 269.098 2.274 50 0 CEAARN CC1CCN(CCS(=O)(=O)c2ccccc2)CC1 ZINC000040460408 174270264 /nfs/dbraw/zinc/27/02/64/174270264.db2.gz LJWHSOXMWFQHIJ-UHFFFAOYSA-N 0 0 267.394 2.192 50 0 CEAARN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)on1 ZINC000040473736 174281884 /nfs/dbraw/zinc/28/18/84/174281884.db2.gz FDDFWMQTFWEIGJ-SNVBAGLBSA-N 0 0 288.303 2.245 50 0 CEAARN O=C(CCn1ncc(=O)c2ccccc21)N1CCCCCC1 ZINC000040473639 174281964 /nfs/dbraw/zinc/28/19/64/174281964.db2.gz YLGNWXGJBHWGAT-UHFFFAOYSA-N 0 0 299.374 2.189 50 0 CEAARN CC(=O)N[C@H](C(=O)Nc1nc(C)c(C)s1)C1CCCC1 ZINC000040476033 174282495 /nfs/dbraw/zinc/28/24/95/174282495.db2.gz ZQZPRVIDEXCXDE-LBPRGKRZSA-N 0 0 295.408 2.393 50 0 CEAARN C[C@@H]1CN(C(=O)c2cccc(OC(F)F)c2)CCO1 ZINC000040477901 174283268 /nfs/dbraw/zinc/28/32/68/174283268.db2.gz RSBUNBPMLXXGSS-SECBINFHSA-N 0 0 271.263 2.149 50 0 CEAARN COc1ccccc1Nc1nc(CC(C)=O)ns1 ZINC000040478809 174283404 /nfs/dbraw/zinc/28/34/04/174283404.db2.gz GIUZVGCXBZAOGD-UHFFFAOYSA-N 0 0 263.322 2.422 50 0 CEAARN C[C@H]1CN(CC(=O)N2CCC[C@@H]2c2cccs2)CCO1 ZINC000040479483 174283675 /nfs/dbraw/zinc/28/36/75/174283675.db2.gz QKRUOMDTNNSKTL-QWHCGFSZSA-N 0 0 294.420 2.132 50 0 CEAARN CC(C)(C)c1cn2nc(N3CCC[C@@H](CO)C3)sc2n1 ZINC000040490524 174292091 /nfs/dbraw/zinc/29/20/91/174292091.db2.gz DYVNXXQNSBAMNS-SNVBAGLBSA-N 0 0 294.424 2.297 50 0 CEAARN CC(C)C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000040497064 174294979 /nfs/dbraw/zinc/29/49/79/174294979.db2.gz HSXODXKNMBCPCD-CYBMUJFWSA-N 0 0 251.301 2.382 50 0 CEAARN C[C@@H]1NC(=S)N([C@H]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000040497679 174295519 /nfs/dbraw/zinc/29/55/19/174295519.db2.gz BPAACTTZKJJSJJ-FXQIFTODSA-N 0 0 280.315 2.213 50 0 CEAARN Cc1ccc(C(=O)N2CCC[C@H](c3nncn3C)C2)cc1C ZINC000040505411 174301638 /nfs/dbraw/zinc/30/16/38/174301638.db2.gz YTWWOFXAPSLLAI-HNNXBMFYSA-N 0 0 298.390 2.452 50 0 CEAARN O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccnc1 ZINC000040505512 174301676 /nfs/dbraw/zinc/30/16/76/174301676.db2.gz DJAYIBYEXHJFOK-ZDUSSCGKSA-N 0 0 269.304 2.207 50 0 CEAARN C[C@H](NC(=O)CCc1cccs1)[C@H]1CCCO1 ZINC000040509014 174303325 /nfs/dbraw/zinc/30/33/25/174303325.db2.gz ZBPSCRGNXHCCCF-CMPLNLGQSA-N 0 0 253.367 2.364 50 0 CEAARN O=C(c1cc(-c2cccc(Cl)c2)n[nH]1)N1CCOCC1 ZINC000040511089 174304428 /nfs/dbraw/zinc/30/44/28/174304428.db2.gz RELVSMHLPLYBEB-UHFFFAOYSA-N 0 0 291.738 2.203 50 0 CEAARN Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cnn(C)c1)C2 ZINC000040512498 174305763 /nfs/dbraw/zinc/30/57/63/174305763.db2.gz QNPDIVMYOHDAIM-CYBMUJFWSA-N 0 0 273.361 2.384 50 0 CEAARN CCCCOCCCNC(=O)c1csc(NC(C)=O)n1 ZINC000040514010 174306001 /nfs/dbraw/zinc/30/60/01/174306001.db2.gz RLAKUJZXFCTQIC-UHFFFAOYSA-N 0 0 299.396 2.038 50 0 CEAARN CC(C)c1noc(CCC(=O)N[C@@H](C)c2ccccn2)n1 ZINC000040514034 174306153 /nfs/dbraw/zinc/30/61/53/174306153.db2.gz ZWCKUMKLRSTZGH-NSHDSACASA-N 0 0 288.351 2.398 50 0 CEAARN C[C@H]1CCCCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000040526574 174314027 /nfs/dbraw/zinc/31/40/27/174314027.db2.gz VNEQEQJEJGWCRY-NSHDSACASA-N 0 0 296.392 2.496 50 0 CEAARN C[C@H](O)CNC(=O)Nc1ccccc1C(C)(C)C ZINC000040526132 174314082 /nfs/dbraw/zinc/31/40/82/174314082.db2.gz GMGMIYRYTDQSSF-JTQLQIEISA-N 0 0 250.342 2.486 50 0 CEAARN C[C@@H]1C[C@H](C)CN(C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC000040526782 174314415 /nfs/dbraw/zinc/31/44/15/174314415.db2.gz PHYLNKGQLPUVGO-PHIMTYICSA-N 0 0 275.352 2.295 50 0 CEAARN Cc1c(NC(=O)NCc2cccs2)cccc1C(N)=O ZINC000040527089 174315205 /nfs/dbraw/zinc/31/52/05/174315205.db2.gz DPBBKHCYXVDRQQ-UHFFFAOYSA-N 0 0 289.360 2.477 50 0 CEAARN C[C@@H]1CCCC[C@@H]1NC(=O)COCC(F)(F)F ZINC000040530023 174316304 /nfs/dbraw/zinc/31/63/04/174316304.db2.gz GNQKMVKVQZEMEY-BDAKNGLRSA-N 0 0 253.264 2.260 50 0 CEAARN COCCCNC(=O)c1nc(-c2cccs2)oc1C ZINC000040529563 174316367 /nfs/dbraw/zinc/31/63/67/174316367.db2.gz VMVYGAOHCRSINL-UHFFFAOYSA-N 0 0 280.349 2.478 50 0 CEAARN CCOc1cc(C)c(C(C)C)cc1S(N)(=O)=O ZINC000040538353 174321656 /nfs/dbraw/zinc/32/16/56/174321656.db2.gz JUYZPBUOTXWRFD-UHFFFAOYSA-N 0 0 257.355 2.165 50 0 CEAARN Cc1ccc(CC(=O)Nc2cccc3c[nH]nc32)cn1 ZINC000040555114 174330598 /nfs/dbraw/zinc/33/05/98/174330598.db2.gz VWLAQXZCJGZNKS-UHFFFAOYSA-N 0 0 266.304 2.448 50 0 CEAARN O=C(CCn1ncc2ccccc21)N1CCCCC1 ZINC000040757921 174396710 /nfs/dbraw/zinc/39/67/10/174396710.db2.gz RVCOGADTLZOAKK-UHFFFAOYSA-N 0 0 257.337 2.439 50 0 CEAARN Cc1cnccc1CN(C)C(=O)c1cc(C(C)C)nc(N)n1 ZINC000216008675 414842440 /nfs/dbraw/zinc/84/24/40/414842440.db2.gz HQFYXIGFZZGBEU-UHFFFAOYSA-N 0 0 299.378 2.158 50 0 CEAARN O=C(NC(C1CC1)C1CC1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000042025935 174631997 /nfs/dbraw/zinc/63/19/97/174631997.db2.gz WDQOHXIHKFRZPM-ZDUSSCGKSA-N 0 0 290.407 2.082 50 0 CEAARN Cc1cccc(NC(=S)NC(=O)c2ccco2)c1O ZINC000000465046 292570001 /nfs/dbraw/zinc/57/00/01/292570001.db2.gz PGJIGMFFGKZUJD-UHFFFAOYSA-N 0 0 276.317 2.420 50 0 CEAARN C[C@H]1C[C@H](NCc2c(C(F)(F)F)cnn2C)c2nccn21 ZINC000657483844 414964575 /nfs/dbraw/zinc/96/45/75/414964575.db2.gz PERONMGNPIFOLQ-WPRPVWTQSA-N 0 0 299.300 2.431 50 0 CEAARN CCOC(=O)c1ccc(NCC2CCOCC2)c(N)c1 ZINC000042784057 174879278 /nfs/dbraw/zinc/87/92/78/174879278.db2.gz KQKNZIMWDIKGEY-UHFFFAOYSA-N 0 0 278.352 2.284 50 0 CEAARN C[C@H]1CN(C(=O)NCc2nc3ccccc3s2)CCO1 ZINC000042815241 174885883 /nfs/dbraw/zinc/88/58/83/174885883.db2.gz 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