smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC1(CNC(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000161293402 538915417 /nfs/dbraw/zinc/91/54/17/538915417.db2.gz KATHXBZFKKMZTI-GFCCVEGCSA-N 0 0 246.354 2.882 20 70 BFIDRN CC(C)(C(=O)NC1CC=CC1)c1ccc(F)cc1 ZINC000160810688 538912913 /nfs/dbraw/zinc/91/29/13/538912913.db2.gz KEMXBPBFAAQNJO-UHFFFAOYSA-N 0 0 247.313 2.938 20 70 BFIDRN Cc1cscc1C(=O)NC1CC=CC1 ZINC000160967932 538913193 /nfs/dbraw/zinc/91/31/93/538913193.db2.gz GGNMBYLHWFRFNA-UHFFFAOYSA-N 0 0 207.298 2.505 20 70 BFIDRN O=C(NC1CC=CC1)C1C2CC3CC(C2)CC1C3 ZINC000161077683 538914164 /nfs/dbraw/zinc/91/41/64/538914164.db2.gz XMMIKNPNSGVWFP-UHFFFAOYSA-N 0 0 245.366 2.894 20 70 BFIDRN CN(CCOCC1CC1)c1ccc(F)cc1 ZINC000159411584 136214211 /nfs/dbraw/zinc/21/42/11/136214211.db2.gz XFAHOJTUOXMKRP-UHFFFAOYSA-N 0 0 223.291 2.689 20 70 BFIDRN C[C@H]1CC[C@@H](NC(=O)c2ccccc2)C1 ZINC000159585009 136214526 /nfs/dbraw/zinc/21/45/26/136214526.db2.gz XGCIBFUGEHYQOU-CMPLNLGQSA-N 0 0 203.285 2.605 20 70 BFIDRN CCOCCCN1CCc2c1cccc2C ZINC000159790553 398193139 /nfs/dbraw/zinc/19/31/39/398193139.db2.gz LRLNKIUESJXDOV-UHFFFAOYSA-N 0 0 219.328 2.784 20 70 BFIDRN Cc1ccc(/C=C/C(=O)NCC2(C3CC3)CC2)o1 ZINC000159935086 178353961 /nfs/dbraw/zinc/35/39/61/178353961.db2.gz AFKGLPSUFDOXLN-VOTSOKGWSA-N 0 0 245.322 2.908 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCCc1cccs1 ZINC000159786629 323047727 /nfs/dbraw/zinc/04/77/27/323047727.db2.gz BVGASIVVBOGNKZ-YPMHNXCESA-N 0 0 237.368 2.843 20 70 BFIDRN CCN(C(=O)C[C@@H](C)SC)C1CCCC1 ZINC000159915086 323053830 /nfs/dbraw/zinc/05/38/30/323053830.db2.gz SMYFKHRATMJIKT-SNVBAGLBSA-N 0 0 229.389 2.919 20 70 BFIDRN CCC(CC)n1nccc1C(=O)NCC(C)C ZINC000160597223 201724091 /nfs/dbraw/zinc/72/40/91/201724091.db2.gz HOZSPKCUYOXWLZ-UHFFFAOYSA-N 0 0 237.347 2.630 20 70 BFIDRN C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC000160781957 133509864 /nfs/dbraw/zinc/50/98/64/133509864.db2.gz WUKHQAOWVBUDKI-UTUOFQBUSA-N 0 0 223.360 2.975 20 70 BFIDRN Cc1ccccc1[S@](=O)Cc1nccs1 ZINC000160657909 323076395 /nfs/dbraw/zinc/07/63/95/323076395.db2.gz HQEFEVYMIJAPPY-HNNXBMFYSA-N 0 0 237.349 2.759 20 70 BFIDRN CCOCCC1(C(=O)Nc2cccnc2)CCC1 ZINC000160526687 187301541 /nfs/dbraw/zinc/30/15/41/187301541.db2.gz GRCDDPZPJDJKOE-UHFFFAOYSA-N 0 0 248.326 2.617 20 70 BFIDRN CC(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000159625586 187301599 /nfs/dbraw/zinc/30/15/99/187301599.db2.gz DNLIUUGFDZIQDN-SECBINFHSA-N 0 0 221.325 2.781 20 70 BFIDRN CN(CCc1nccs1)C(=O)OC(C)(C)C ZINC000159628233 187302004 /nfs/dbraw/zinc/30/20/04/187302004.db2.gz DMXVFGUGZRKZCP-UHFFFAOYSA-N 0 0 242.344 2.553 20 70 BFIDRN CCC[C@H]1[C@@H](C)CCCN1C(=O)[C@@H]1CCCO1 ZINC000159459292 345437592 /nfs/dbraw/zinc/43/75/92/345437592.db2.gz GKKUIOHPYCOJON-AVGNSLFASA-N 0 0 239.359 2.593 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)CCOCC(C)C ZINC000159516360 345439709 /nfs/dbraw/zinc/43/97/09/345439709.db2.gz YDIHASCYKUNACL-QWHCGFSZSA-N 0 0 241.375 2.744 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)CSC ZINC000159626355 345450683 /nfs/dbraw/zinc/45/06/83/345450683.db2.gz MKYCPNUOGSBRIT-GARJFASQSA-N 0 0 229.389 2.680 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)CSC ZINC000159626208 345450702 /nfs/dbraw/zinc/45/07/02/345450702.db2.gz MKYCPNUOGSBRIT-HBNTYKKESA-N 0 0 229.389 2.680 20 70 BFIDRN COCCSc1nc(C(C)(C)C)ns1 ZINC000159771700 345519013 /nfs/dbraw/zinc/51/90/13/345519013.db2.gz CYBDQZKDGRPMLA-UHFFFAOYSA-N 0 0 232.374 2.574 20 70 BFIDRN Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)C2)cc1 ZINC000159771315 345519457 /nfs/dbraw/zinc/51/94/57/345519457.db2.gz BQAYHAZYJAWOLT-YPMHNXCESA-N 0 0 217.312 2.913 20 70 BFIDRN CCCC(=O)N1CCc2c(F)cccc2C1 ZINC000160783637 168541949 /nfs/dbraw/zinc/54/19/49/168541949.db2.gz PNRPJRRNOQQLTN-UHFFFAOYSA-N 0 0 221.275 2.511 20 70 BFIDRN Cc1cccc(C)c1CS[C@@H](C)CO ZINC000160744315 179038805 /nfs/dbraw/zinc/03/88/05/179038805.db2.gz KZLAVSYWGBVJLX-NSHDSACASA-N 0 0 210.342 2.917 20 70 BFIDRN CCSc1cccc(C(=O)NC(C)C)c1 ZINC000160410478 346452552 /nfs/dbraw/zinc/45/25/52/346452552.db2.gz KRIFKRSRSZOGDV-UHFFFAOYSA-N 0 0 223.341 2.937 20 70 BFIDRN Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCCO1 ZINC000159964440 179319570 /nfs/dbraw/zinc/31/95/70/179319570.db2.gz SETPBXOBIPEQEW-TZMCWYRMSA-N 0 0 247.338 2.741 20 70 BFIDRN CC1CCN(C(=O)N2CCC[C@H](C)CC2)CC1 ZINC000160575348 349248300 /nfs/dbraw/zinc/24/83/00/349248300.db2.gz YINHPVCTTXVUKY-LBPRGKRZSA-N 0 0 238.375 2.960 20 70 BFIDRN CCOCCC1(CNC(=O)C(C)(C)C)CCC1 ZINC000160604284 349264907 /nfs/dbraw/zinc/26/49/07/349264907.db2.gz LEUPOTJYXBYQDK-UHFFFAOYSA-N 0 0 241.375 2.746 20 70 BFIDRN CCOC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000217678999 350068841 /nfs/dbraw/zinc/06/88/41/350068841.db2.gz ODBHUFHGOFVDOE-ZJUUUORDSA-N 0 0 226.222 2.631 20 70 BFIDRN Cc1ncc(CN[C@H](C)c2cscn2)s1 ZINC000161188736 180159089 /nfs/dbraw/zinc/15/90/89/180159089.db2.gz ZHJWYYAVGPMEKP-SSDOTTSWSA-N 0 0 239.369 2.759 20 70 BFIDRN CC(C)N(C(=O)[C@H]1CCCCO1)C1CCCC1 ZINC000160859860 350865558 /nfs/dbraw/zinc/86/55/58/350865558.db2.gz KIACNMUPWJNPBE-CYBMUJFWSA-N 0 0 239.359 2.735 20 70 BFIDRN CCOCCCN(C)c1ccc(F)c(F)c1 ZINC000159559461 350894088 /nfs/dbraw/zinc/89/40/88/350894088.db2.gz DXSTVTLFJUPDDC-UHFFFAOYSA-N 0 0 229.270 2.828 20 70 BFIDRN CN(Cc1cncs1)Cc1ccc(F)cc1 ZINC000161143195 351082758 /nfs/dbraw/zinc/08/27/58/351082758.db2.gz KEKRXZFYHQQFLE-UHFFFAOYSA-N 0 0 236.315 2.914 20 70 BFIDRN Cc1nc(NC(=O)C2CCCC2)cc(C2CC2)n1 ZINC000159961937 351145458 /nfs/dbraw/zinc/14/54/58/351145458.db2.gz NMWINVHZUZMIAB-UHFFFAOYSA-N 0 0 245.326 2.791 20 70 BFIDRN CCCCNC(=O)N1CCCC[C@@H](SC)C1 ZINC000161123990 363102167 /nfs/dbraw/zinc/10/21/67/363102167.db2.gz OIXOZQDNPIFQDO-LLVKDONJSA-N 0 0 244.404 2.714 20 70 BFIDRN O=C(Nc1cccnc1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160051825 353122824 /nfs/dbraw/zinc/12/28/24/353122824.db2.gz NZFCBBSKIUDASU-AAEUAGOBSA-N 0 0 245.326 2.878 20 70 BFIDRN CCC1(CNC(=O)C[C@H](C)c2ccncc2)CC1 ZINC000161293518 538111594 /nfs/dbraw/zinc/11/15/94/538111594.db2.gz KATHXBZFKKMZTI-LBPRGKRZSA-N 0 0 246.354 2.882 20 70 BFIDRN C[C@@H](CC(=O)NCC1(C)CCC1)c1ccncc1 ZINC000161296603 538111619 /nfs/dbraw/zinc/11/16/19/538111619.db2.gz KCMHMKNMOTXUTH-LBPRGKRZSA-N 0 0 246.354 2.882 20 70 BFIDRN CS[C@H](C)CC(=O)NC[C@H]1Cc2ccccc21 ZINC000160290654 355851986 /nfs/dbraw/zinc/85/19/86/355851986.db2.gz JQICHLXJEWKYOW-ZYHUDNBSSA-N 0 0 249.379 2.584 20 70 BFIDRN Cc1nccc(NC(=O)NCCCF)c1Cl ZINC000159934119 538880931 /nfs/dbraw/zinc/88/09/31/538880931.db2.gz HWGQGJJYEKLZPC-UHFFFAOYSA-N 0 0 245.685 2.525 20 70 BFIDRN Cn1c2ccccc2nc1NC1CC=CC1 ZINC000160556199 538885201 /nfs/dbraw/zinc/88/52/01/538885201.db2.gz IAOGBVQJWCHEAA-UHFFFAOYSA-N 0 0 213.284 2.704 20 70 BFIDRN CC(C)OC(=O)[C@H]1CCc2ccccc2C1 ZINC000217804788 357911930 /nfs/dbraw/zinc/91/19/30/357911930.db2.gz ZAGKQGNXZSQYNN-ZDUSSCGKSA-N 0 0 218.296 2.743 20 70 BFIDRN CCC(CC)NC(=O)NCc1ccc(C)cc1 ZINC000217304944 134246568 /nfs/dbraw/zinc/24/65/68/134246568.db2.gz KKYFJXBLDJFCIA-UHFFFAOYSA-N 0 0 234.343 2.983 20 70 BFIDRN C[C@H]1CCC[C@H](C(=O)NCc2nccs2)C1 ZINC000160742106 358226358 /nfs/dbraw/zinc/22/63/58/358226358.db2.gz KXYOURYHWRASLR-UWVGGRQHSA-N 0 0 238.356 2.586 20 70 BFIDRN CC[C@H](C)CNC(=O)c1ccc(F)cc1C ZINC000159861009 361292259 /nfs/dbraw/zinc/29/22/59/361292259.db2.gz YMMJLTIMWAOZFT-VIFPVBQESA-N 0 0 223.291 2.910 20 70 BFIDRN CCc1nnc(CN[C@H](C)c2ccccc2C)[nH]1 ZINC000160269210 361303316 /nfs/dbraw/zinc/30/33/16/361303316.db2.gz LIWSHNNLNOBASB-LLVKDONJSA-N 0 0 244.342 2.526 20 70 BFIDRN CCCC(=O)N[C@@H](C)c1cccc(C)c1 ZINC000160324893 361306297 /nfs/dbraw/zinc/30/62/97/361306297.db2.gz VMGMANVVRRFFFR-NSHDSACASA-N 0 0 205.301 2.972 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)c1ccsc1 ZINC000160063804 182127395 /nfs/dbraw/zinc/12/73/95/182127395.db2.gz JNKLVBWKJNJDSG-UHFFFAOYSA-N 0 0 221.325 2.668 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)c1ccc(F)cc1 ZINC000160165282 182128375 /nfs/dbraw/zinc/12/83/75/182128375.db2.gz RLESSHARAURWAV-UHFFFAOYSA-N 0 0 233.286 2.746 20 70 BFIDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccoc1 ZINC000160074341 182305050 /nfs/dbraw/zinc/30/50/50/182305050.db2.gz BSEGHOVQOKPWON-GFCCVEGCSA-N 0 0 249.310 2.501 20 70 BFIDRN O=C(Nc1ccc(Cl)cn1)NC1CCCC1 ZINC000217584710 182354177 /nfs/dbraw/zinc/35/41/77/182354177.db2.gz WJAZPFNZODLFAR-UHFFFAOYSA-N 0 0 239.706 2.799 20 70 BFIDRN O=C(Nc1cc(F)cc(F)c1F)N1CCCC1 ZINC000160522245 182350229 /nfs/dbraw/zinc/35/02/29/182350229.db2.gz AQPJIGIEZRCHFJ-UHFFFAOYSA-N 0 0 244.216 2.732 20 70 BFIDRN O=C(c1ccco1)N1CC=C(C(F)(F)F)CC1 ZINC000160576381 182685430 /nfs/dbraw/zinc/68/54/30/182685430.db2.gz DFZRGRXVWPPWLE-UHFFFAOYSA-N 0 0 245.200 2.614 20 70 BFIDRN OCCOCCSCc1ccc(Cl)cc1 ZINC000161281573 183086905 /nfs/dbraw/zinc/08/69/05/183086905.db2.gz NXLIXDXGGJYTNC-UHFFFAOYSA-N 0 0 246.759 2.582 20 70 BFIDRN CCC[C@H](C)CC(=O)NCCc1cccc(O)c1 ZINC000160241958 169477209 /nfs/dbraw/zinc/47/72/09/169477209.db2.gz ZUHITXORMJGOLD-LBPRGKRZSA-N 0 0 249.354 2.877 20 70 BFIDRN Cc1ccc(OC(=O)[C@H]2CCCCO2)cc1C ZINC000159509190 384337616 /nfs/dbraw/zinc/33/76/16/384337616.db2.gz NDOZNYZYYXINIQ-CYBMUJFWSA-N 0 0 234.295 2.778 20 70 BFIDRN CCC[C@H](C(=O)Nc1nc(C)ns1)C(C)C ZINC000159556908 384341463 /nfs/dbraw/zinc/34/14/63/384341463.db2.gz BSSJLKATBJIALJ-VIFPVBQESA-N 0 0 241.360 2.857 20 70 BFIDRN Cc1cncc(/C=C/C(=O)N2CCCC[C@H]2C)c1 ZINC000159628928 384344638 /nfs/dbraw/zinc/34/46/38/384344638.db2.gz GPAVFOSUEAUMNV-KTRBRXNASA-N 0 0 244.338 2.804 20 70 BFIDRN CN(c1nc(C(C)(C)C)ns1)C1CCC1 ZINC000159679850 384349029 /nfs/dbraw/zinc/34/90/29/384349029.db2.gz HOJDDYIFPBHWTN-UHFFFAOYSA-N 0 0 225.361 2.824 20 70 BFIDRN COc1ccc(CN(C)Cc2cncs2)cc1 ZINC000159851995 384364809 /nfs/dbraw/zinc/36/48/09/384364809.db2.gz POAUOVLVDUWBLF-UHFFFAOYSA-N 0 0 248.351 2.784 20 70 BFIDRN CCCCNC(=O)Nc1ccc(F)c(OC)c1 ZINC000160229945 384396571 /nfs/dbraw/zinc/39/65/71/384396571.db2.gz NBPRVMJCEIFLMT-UHFFFAOYSA-N 0 0 240.278 2.756 20 70 BFIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC1CC1 ZINC000160464608 384415372 /nfs/dbraw/zinc/41/53/72/384415372.db2.gz AHBKJRWFRDDBQT-WDEREUQCSA-N 0 0 235.352 2.686 20 70 BFIDRN CCN(CC)C(=O)Nc1cc(F)cc(F)c1F ZINC000160521028 384418147 /nfs/dbraw/zinc/41/81/47/384418147.db2.gz QPAYOAQGGAOOFU-UHFFFAOYSA-N 0 0 246.232 2.978 20 70 BFIDRN O=C1NCCCC[C@H]1SCCc1ccccc1 ZINC000160161454 384390983 /nfs/dbraw/zinc/39/09/83/384390983.db2.gz YTUXMQSPPQOIEG-CYBMUJFWSA-N 0 0 249.379 2.631 20 70 BFIDRN C[C@H](CO)SCc1ncc(C(C)(C)C)o1 ZINC000160774992 384433916 /nfs/dbraw/zinc/43/39/16/384433916.db2.gz HNJZUYDWNLNJQV-MRVPVSSYSA-N 0 0 229.345 2.586 20 70 BFIDRN CCc1ccccc1C(=O)N[C@H](C)C1CC1 ZINC000160780140 384436516 /nfs/dbraw/zinc/43/65/16/384436516.db2.gz AMKRAHMTQULDDW-SNVBAGLBSA-N 0 0 217.312 2.777 20 70 BFIDRN CC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000161095419 384463550 /nfs/dbraw/zinc/46/35/50/384463550.db2.gz XGLQXZZSMKTJHQ-SSDOTTSWSA-N 0 0 246.232 2.629 20 70 BFIDRN CCC[C@@H]1CCCN(C(=O)c2ccc(N)cc2)C1 ZINC000161444843 384489948 /nfs/dbraw/zinc/48/99/48/384489948.db2.gz CKIJUFVMWFRXJE-GFCCVEGCSA-N 0 0 246.354 2.921 20 70 BFIDRN CC(C)(C)C[C@H](CO)Nc1ccnc(C2CC2)n1 ZINC000161450876 384490101 /nfs/dbraw/zinc/49/01/01/384490101.db2.gz FWASJAOLLUVIBS-LLVKDONJSA-N 0 0 249.358 2.563 20 70 BFIDRN O=C(CC1CCCC1)NCCc1cccc(O)c1 ZINC000160151390 384640516 /nfs/dbraw/zinc/64/05/16/384640516.db2.gz AEKIPDLDQDIPKP-UHFFFAOYSA-N 0 0 247.338 2.631 20 70 BFIDRN C[C@@H](CO)SCc1cccc(F)c1F ZINC000160779682 384739578 /nfs/dbraw/zinc/73/95/78/384739578.db2.gz CCMYNELXZHKAJC-ZETCQYMHSA-N 0 0 218.268 2.579 20 70 BFIDRN C[C@@H](NCc1ccoc1)c1cscn1 ZINC000161162802 384862681 /nfs/dbraw/zinc/86/26/81/384862681.db2.gz QZJADKGXZKHRLK-MRVPVSSYSA-N 0 0 208.286 2.587 20 70 BFIDRN CC(C)(C)C[C@@H](CO)Nc1ccnc(Cl)c1 ZINC000161417963 385022049 /nfs/dbraw/zinc/02/20/49/385022049.db2.gz LMRHOOHZAXOSKZ-JTQLQIEISA-N 0 0 242.750 2.944 20 70 BFIDRN CC(C)[C@H](C)CC(=O)N(C)Cc1cccn1C ZINC000160394199 385585726 /nfs/dbraw/zinc/58/57/26/385585726.db2.gz PMOUMNDEIWWSCT-GFCCVEGCSA-N 0 0 236.359 2.666 20 70 BFIDRN FC(F)(F)c1ccc(NC2CC=CC2)nn1 ZINC000161056526 385919161 /nfs/dbraw/zinc/91/91/61/385919161.db2.gz BQKGFYZJTDPZSY-UHFFFAOYSA-N 0 0 229.205 2.626 20 70 BFIDRN CC[C@H]1CCN(C(=O)c2ccccc2NC)C1 ZINC000160956923 385925700 /nfs/dbraw/zinc/92/57/00/385925700.db2.gz POWRESVZDAQGEQ-NSHDSACASA-N 0 0 232.327 2.600 20 70 BFIDRN Cc1cccc(C(=O)Nc2ccncc2)c1F ZINC000161419510 385973609 /nfs/dbraw/zinc/97/36/09/385973609.db2.gz SHCUTMAZHXRWJW-UHFFFAOYSA-N 0 0 230.242 2.781 20 70 BFIDRN CCN(C)C(=O)N1CCCc2ccccc2C1 ZINC000160550595 387251384 /nfs/dbraw/zinc/25/13/84/387251384.db2.gz CJPACDOAKSZDEP-UHFFFAOYSA-N 0 0 232.327 2.507 20 70 BFIDRN CCOC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000159363573 388009868 /nfs/dbraw/zinc/00/98/68/388009868.db2.gz VLYVAOSUDBUWNY-RKDXNWHRSA-N 0 0 210.298 2.723 20 70 BFIDRN CCC(CC)n1nccc1C(=O)N[C@@H](C)CC ZINC000160551989 388074363 /nfs/dbraw/zinc/07/43/63/388074363.db2.gz OQPAARCXOFSVTL-JTQLQIEISA-N 0 0 237.347 2.773 20 70 BFIDRN CCc1ccc(CS[C@@H](C)CO)cc1 ZINC000160701991 388085524 /nfs/dbraw/zinc/08/55/24/388085524.db2.gz AITLJMQJOOLFFO-JTQLQIEISA-N 0 0 210.342 2.863 20 70 BFIDRN C[C@@H](CO)SCCCC(=O)c1ccccc1 ZINC000160755215 388087110 /nfs/dbraw/zinc/08/71/10/388087110.db2.gz HIFQDXXXVGINPT-NSHDSACASA-N 0 0 238.352 2.764 20 70 BFIDRN CCC(CC)n1nccc1C(=O)N[C@@H](C)C1CC1 ZINC000160781016 388089417 /nfs/dbraw/zinc/08/94/17/388089417.db2.gz GTIVNIIHPDWOHN-JTQLQIEISA-N 0 0 249.358 2.773 20 70 BFIDRN CCc1ncnc(NC[C@@H](C)C(C)C)c1F ZINC000218034291 388575764 /nfs/dbraw/zinc/57/57/64/388575764.db2.gz HMRCPHNQBTXKOM-SECBINFHSA-N 0 0 225.311 2.882 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(OC)c(N)c1 ZINC000161198790 388862666 /nfs/dbraw/zinc/86/26/66/388862666.db2.gz IKEBSYNSQZQWPQ-QMTHXVAHSA-N 0 0 248.326 2.652 20 70 BFIDRN CC(C)Cc1noc(CSCCCF)n1 ZINC000161444505 133513820 /nfs/dbraw/zinc/51/38/20/133513820.db2.gz TZHUGIQWOATVNJ-UHFFFAOYSA-N 0 0 232.324 2.861 20 70 BFIDRN Cc1n[nH]c(C)c1NC(=O)c1cccc(C)c1F ZINC000161470176 133514336 /nfs/dbraw/zinc/51/43/36/133514336.db2.gz OJUGNUPXNGXEFU-UHFFFAOYSA-N 0 0 247.273 2.726 20 70 BFIDRN CC(C)(C)NC(=O)Nc1ccc(Cl)cn1 ZINC000217313534 134246728 /nfs/dbraw/zinc/24/67/28/134246728.db2.gz DOQGDRUADYFMML-UHFFFAOYSA-N 0 0 227.695 2.655 20 70 BFIDRN CCCCNC(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000218001516 134251462 /nfs/dbraw/zinc/25/14/62/134251462.db2.gz GNJFFEYPEGAKKL-NEPJUHHUSA-N 0 0 226.364 2.912 20 70 BFIDRN C[C@@H]1CCCN1c1nc(C(C)(C)C)ns1 ZINC000159766864 134790041 /nfs/dbraw/zinc/79/00/41/134790041.db2.gz PFEXAMSAISSLRI-MRVPVSSYSA-N 0 0 225.361 2.824 20 70 BFIDRN CC[C@@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000159958913 134795285 /nfs/dbraw/zinc/79/52/85/134795285.db2.gz PQAOHYOAPRYHLW-MRVPVSSYSA-N 0 0 233.315 2.647 20 70 BFIDRN CC1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000160073099 397766158 /nfs/dbraw/zinc/76/61/58/397766158.db2.gz UNCHOWYFBYKTOI-MRVPVSSYSA-N 0 0 224.691 2.720 20 70 BFIDRN COC(=O)[C@H](C)CS[C@H]1C=CCCC1 ZINC000161244365 411293278 /nfs/dbraw/zinc/29/32/78/411293278.db2.gz GPONVVSTZMAOCT-ZJUUUORDSA-N 0 0 214.330 2.637 20 70 BFIDRN CC1(Nc2nccc(C(F)(F)F)n2)CCC1 ZINC000159974647 168065665 /nfs/dbraw/zinc/06/56/65/168065665.db2.gz DLFCNMXJPVXJSR-UHFFFAOYSA-N 0 0 231.221 2.850 20 70 BFIDRN CC1=C(C(=O)N(CC(F)F)C(C)C)CCCO1 ZINC000160094791 168076155 /nfs/dbraw/zinc/07/61/55/168076155.db2.gz BRJSYNJBIMUBJH-UHFFFAOYSA-N 0 0 247.285 2.573 20 70 BFIDRN CC1=CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000160163116 168108593 /nfs/dbraw/zinc/10/85/93/168108593.db2.gz BPJTWVZNGHQEDC-UHFFFAOYSA-N 0 0 240.306 2.960 20 70 BFIDRN CC1CCN(C(=O)N2CCC(C)(C)CC2)CC1 ZINC000160533033 168174062 /nfs/dbraw/zinc/17/40/62/168174062.db2.gz UKDVYZGIPVFGAP-UHFFFAOYSA-N 0 0 238.375 2.960 20 70 BFIDRN CC(C)n1cccc1C(=O)N1CCC(C)CC1 ZINC000160562254 168176161 /nfs/dbraw/zinc/17/61/61/168176161.db2.gz PTMRTBQIXMPOEX-UHFFFAOYSA-N 0 0 234.343 2.941 20 70 BFIDRN CCC(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000160708081 168234569 /nfs/dbraw/zinc/23/45/69/168234569.db2.gz MWPTWIFFFZLJNF-UHFFFAOYSA-N 0 0 247.216 2.663 20 70 BFIDRN CC[C@H](C)OCC(=O)Nc1cccc(F)c1C ZINC000159615277 171354375 /nfs/dbraw/zinc/35/43/75/171354375.db2.gz HSERQPJNRJACOH-VIFPVBQESA-N 0 0 239.290 2.888 20 70 BFIDRN CCc1ncnc(NCC(C)(C)SC)c1F ZINC000218052926 172032240 /nfs/dbraw/zinc/03/22/40/172032240.db2.gz XCSZFKUWFDWRNQ-UHFFFAOYSA-N 0 0 243.351 2.732 20 70 BFIDRN CCc1ncnc(N[C@H](C)CC2CC2)c1F ZINC000159729029 172033493 /nfs/dbraw/zinc/03/34/93/172033493.db2.gz NQMSHICDDVGXEZ-MRVPVSSYSA-N 0 0 223.295 2.779 20 70 BFIDRN CCc1noc(C)c1C[S@@](=O)c1ccccc1 ZINC000161033212 172080494 /nfs/dbraw/zinc/08/04/94/172080494.db2.gz FLYQYEFGGMKUAN-KRWDZBQOSA-N 0 0 249.335 2.853 20 70 BFIDRN COc1ccc(N(C)C(=O)C=C(C)C)cc1F ZINC000159602665 175135552 /nfs/dbraw/zinc/13/55/52/175135552.db2.gz ZAEGZZLWGPHSRO-UHFFFAOYSA-N 0 0 237.274 2.763 20 70 BFIDRN C[C@@H]1CC[C@@H](CC(=O)Nc2cccc(F)n2)C1 ZINC000160915319 176201084 /nfs/dbraw/zinc/20/10/84/176201084.db2.gz JBBAAENNWSGUOW-NXEZZACHSA-N 0 0 236.290 2.986 20 70 BFIDRN CCOc1ccccc1N(C)CCCCOC ZINC000159390619 322966108 /nfs/dbraw/zinc/96/61/08/322966108.db2.gz BBLABRWQGCMIDQ-UHFFFAOYSA-N 0 0 237.343 2.948 20 70 BFIDRN COc1cccnc1NC1CCCCC1 ZINC000159456064 322969416 /nfs/dbraw/zinc/96/94/16/322969416.db2.gz PKXCUNMJLKLNAB-UHFFFAOYSA-N 0 0 206.289 2.835 20 70 BFIDRN CCc1oc(C(=O)Nc2ccncc2)cc1C ZINC000159604296 323040276 /nfs/dbraw/zinc/04/02/76/323040276.db2.gz CLCYKKFXVSZOSY-UHFFFAOYSA-N 0 0 230.267 2.798 20 70 BFIDRN Cc1ccc(CCC(=O)NCC2(C3CC3)CC2)o1 ZINC000159789629 323047920 /nfs/dbraw/zinc/04/79/20/323047920.db2.gz ULUBWTRVJSWEEP-UHFFFAOYSA-N 0 0 247.338 2.827 20 70 BFIDRN CCCCCSC[C@@H](C)CS(C)(=O)=O ZINC000159800505 323048806 /nfs/dbraw/zinc/04/88/06/323048806.db2.gz FJEPNLNGHYNLJA-SNVBAGLBSA-N 0 0 238.418 2.591 20 70 BFIDRN Cc1cc(CSc2ccncc2)no1 ZINC000159948285 323054553 /nfs/dbraw/zinc/05/45/53/323054553.db2.gz OFMZANDOCRUTML-UHFFFAOYSA-N 0 0 206.270 2.670 20 70 BFIDRN c1cc2cc(OCc3ccon3)ccc2[nH]1 ZINC000160020993 323057601 /nfs/dbraw/zinc/05/76/01/323057601.db2.gz LXONDTUWCJWEPO-UHFFFAOYSA-N 0 0 214.224 2.735 20 70 BFIDRN c1n[nH]cc1CCCSc1ccncc1 ZINC000160013991 323057726 /nfs/dbraw/zinc/05/77/26/323057726.db2.gz JBYKCBPYHGWKSB-UHFFFAOYSA-N 0 0 219.313 2.530 20 70 BFIDRN Cc1ccc(CN2Cc3ccccc3C2)nc1 ZINC000160023249 323057752 /nfs/dbraw/zinc/05/77/52/323057752.db2.gz NCGNKDAWNUZMJR-UHFFFAOYSA-N 0 0 224.307 2.906 20 70 BFIDRN Cc1nc(NC(=O)c2ccco2)cc(C2CC2)n1 ZINC000160071242 323059527 /nfs/dbraw/zinc/05/95/27/323059527.db2.gz VVJJJGWNBVEHBQ-UHFFFAOYSA-N 0 0 243.266 2.508 20 70 BFIDRN CSc1cc(C(=O)N(C)C2CC2)ccc1F ZINC000160087268 323060157 /nfs/dbraw/zinc/06/01/57/323060157.db2.gz XLAHSYBLOSSQNW-UHFFFAOYSA-N 0 0 239.315 2.782 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)NCCc1cccc(F)c1 ZINC000160172060 323062718 /nfs/dbraw/zinc/06/27/18/323062718.db2.gz RJQPLPBUUHCXGG-UKRRQHHQSA-N 0 0 249.329 2.921 20 70 BFIDRN O=C(NCC1(C2CC2)CCC1)N[C@H]1C=CCCC1 ZINC000160268347 323064447 /nfs/dbraw/zinc/06/44/47/323064447.db2.gz XTTGFVLHNHEEDI-ZDUSSCGKSA-N 0 0 248.370 2.975 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)N[C@H]1C=CCCC1 ZINC000160273010 323064573 /nfs/dbraw/zinc/06/45/73/323064573.db2.gz YALXXQSNANHASD-LBPRGKRZSA-N 0 0 234.343 2.585 20 70 BFIDRN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CC1CC1 ZINC000160422055 323066083 /nfs/dbraw/zinc/06/60/83/323066083.db2.gz NFZDGGSNAZXVNL-LLVKDONJSA-N 0 0 247.338 2.582 20 70 BFIDRN CCC1CCN(C(=O)C[C@H](C)SC)CC1 ZINC000160550109 323070801 /nfs/dbraw/zinc/07/08/01/323070801.db2.gz AMFIUYXUFAMHED-JTQLQIEISA-N 0 0 229.389 2.777 20 70 BFIDRN Cc1ccc([S@@](=O)Cc2nccs2)cc1 ZINC000160629328 323073982 /nfs/dbraw/zinc/07/39/82/323073982.db2.gz JVVFLBXFXMXYAQ-OAHLLOKOSA-N 0 0 237.349 2.759 20 70 BFIDRN CCN(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000161166362 323075877 /nfs/dbraw/zinc/07/58/77/323075877.db2.gz ULDUYQQPNNUJRO-NXEZZACHSA-N 0 0 223.341 2.638 20 70 BFIDRN CC(C)C[C@@H](C)NC(=O)[C@H](C)C1CCOCC1 ZINC000161355588 323075940 /nfs/dbraw/zinc/07/59/40/323075940.db2.gz IRFUKOHPFHWMKV-VXGBXAGGSA-N 0 0 241.375 2.600 20 70 BFIDRN CCCC1(CNC(=O)CC[C@@H]2CCCO2)CC1 ZINC000160746946 323105005 /nfs/dbraw/zinc/10/50/05/323105005.db2.gz NYXNRZQJINOAMG-LBPRGKRZSA-N 0 0 239.359 2.642 20 70 BFIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)C1CC1 ZINC000160782855 323135308 /nfs/dbraw/zinc/13/53/08/323135308.db2.gz YULCMTUKYJEUEA-JQWIXIFHSA-N 0 0 209.333 2.824 20 70 BFIDRN Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000160795693 323135809 /nfs/dbraw/zinc/13/58/09/323135809.db2.gz MGYWAPUQOAYPGE-LDYMZIIASA-N 0 0 235.331 2.791 20 70 BFIDRN COCC[C@@H](C)Nc1cccc(OCCF)c1 ZINC000160888883 323137908 /nfs/dbraw/zinc/13/79/08/323137908.db2.gz GRDYYDCBWBFJDN-LLVKDONJSA-N 0 0 241.306 2.872 20 70 BFIDRN CC(C)C[C@H](CO)NC(=O)C[C@@H](C)CC(C)C ZINC000160912217 323138980 /nfs/dbraw/zinc/13/89/80/323138980.db2.gz BOXYHQGVSJVZAW-QWHCGFSZSA-N 0 0 243.391 2.582 20 70 BFIDRN CC[C@@H](C)OCC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000161014779 323143129 /nfs/dbraw/zinc/14/31/29/323143129.db2.gz NBHVZMWKMSPLDY-VXGBXAGGSA-N 0 0 241.375 2.837 20 70 BFIDRN Cc1cc(C(=O)NC(C)C)c(Cl)cc1F ZINC000161094368 323146174 /nfs/dbraw/zinc/14/61/74/323146174.db2.gz IHMBOQWKFAURDX-UHFFFAOYSA-N 0 0 229.682 2.926 20 70 BFIDRN CN(Cc1cccnc1)c1ccccc1F ZINC000161118902 323147507 /nfs/dbraw/zinc/14/75/07/323147507.db2.gz GHOZYLWXXPGRKJ-UHFFFAOYSA-N 0 0 216.259 2.857 20 70 BFIDRN C[C@@H]1CCC[C@H](C(=O)N(C)Cc2ccccn2)C1 ZINC000161112121 323147652 /nfs/dbraw/zinc/14/76/52/323147652.db2.gz JWKGHSGDAKKIMK-OLZOCXBDSA-N 0 0 246.354 2.866 20 70 BFIDRN C[C@H]1CCC[C@H](C(=O)N(C)Cc2ccccn2)C1 ZINC000161112241 323147664 /nfs/dbraw/zinc/14/76/64/323147664.db2.gz JWKGHSGDAKKIMK-STQMWFEESA-N 0 0 246.354 2.866 20 70 BFIDRN Cc1ccc(C)c(NC(=O)c2cc(C)ncn2)c1 ZINC000161130614 323148689 /nfs/dbraw/zinc/14/86/89/323148689.db2.gz QPXFSFDQQVHIAW-UHFFFAOYSA-N 0 0 241.294 2.654 20 70 BFIDRN COCCCN(C)C(=O)C(C)(C)C1CCCC1 ZINC000161298850 323493593 /nfs/dbraw/zinc/49/35/93/323493593.db2.gz JBZMSWUGKDOVJW-UHFFFAOYSA-N 0 0 241.375 2.698 20 70 BFIDRN Cc1cccc(C(=O)N2[C@H](C)CC[C@@H]2C)c1O ZINC000161397635 323511994 /nfs/dbraw/zinc/51/19/94/323511994.db2.gz AVOBGAWTBQOCHL-PHIMTYICSA-N 0 0 233.311 2.714 20 70 BFIDRN CCO[C@H](C)c1nccn1C[C@H]1CCCCO1 ZINC000161473246 323524844 /nfs/dbraw/zinc/52/48/44/323524844.db2.gz IMJXILHAAOJEGZ-VXGBXAGGSA-N 0 0 238.331 2.550 20 70 BFIDRN CCO[C@H](C)c1nccn1CCCSC ZINC000161493849 323535065 /nfs/dbraw/zinc/53/50/65/323535065.db2.gz YGBYWGIFDWCHHU-SNVBAGLBSA-N 0 0 228.361 2.734 20 70 BFIDRN CC(C)Cn1nc(C2CC2)nc1C1CC1 ZINC000161506731 323536559 /nfs/dbraw/zinc/53/65/59/323536559.db2.gz SZJHPPIPOUNZLW-UHFFFAOYSA-N 0 0 205.305 2.689 20 70 BFIDRN CC1(C)C[C@H]1CNc1ncnc2c1CCCC2 ZINC000217804916 490484691 /nfs/dbraw/zinc/48/46/91/490484691.db2.gz MODLMXINUBYOTP-JTQLQIEISA-N 0 0 231.343 2.813 20 70 BFIDRN CCCCC(=O)NCC1(CCOCC)CCC1 ZINC000160684217 491086841 /nfs/dbraw/zinc/08/68/41/491086841.db2.gz ZPKZMNSAPNEWDQ-UHFFFAOYSA-N 0 0 241.375 2.890 20 70 BFIDRN CC(C)=CC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159673944 535344386 /nfs/dbraw/zinc/34/43/86/535344386.db2.gz JWYUEOAPKRWPSV-GFCCVEGCSA-N 0 0 237.343 2.561 20 70 BFIDRN Cc1cc(C)cc(CCC(=O)NCCCF)c1 ZINC000159639480 585025824 /nfs/dbraw/zinc/02/58/24/585025824.db2.gz UUWNJHJRROCIJD-UHFFFAOYSA-N 0 0 237.318 2.712 20 70 BFIDRN CCCCCCOCCOC(=O)C(C)C ZINC000217553102 592126113 /nfs/dbraw/zinc/12/61/13/592126113.db2.gz RZZMSJYXIVWPNB-UHFFFAOYSA-N 0 0 216.321 2.783 20 70 BFIDRN CON(C)C(=O)c1ccc2sccc2c1 ZINC000217932301 592149954 /nfs/dbraw/zinc/14/99/54/592149954.db2.gz GHJSPLMHIJCCJQ-UHFFFAOYSA-N 0 0 221.281 2.535 20 70 BFIDRN CCc1ncnc(N[C@H](C)CCSC)c1F ZINC000218025775 592151736 /nfs/dbraw/zinc/15/17/36/592151736.db2.gz VFVTXFIYLDLSAE-MRVPVSSYSA-N 0 0 243.351 2.732 20 70 BFIDRN CC[C@H](C)C(=O)O[C@H]1CCC[C@@H](OC)C1 ZINC000218535029 592159021 /nfs/dbraw/zinc/15/90/21/592159021.db2.gz BLBKEIHJZQOTIZ-AXFHLTTASA-N 0 0 214.305 2.533 20 70 BFIDRN Cc1cccc(C(=O)Nc2ccccn2)c1F ZINC000161431940 349446846 /nfs/dbraw/zinc/44/68/46/349446846.db2.gz MTMMJUYOBGRCMD-UHFFFAOYSA-N 0 0 230.242 2.781 20 70 BFIDRN CCSc1cc(C(=O)NC2CC=CC2)ccn1 ZINC000161016085 538913527 /nfs/dbraw/zinc/91/35/27/538913527.db2.gz GLBJNLHHCMGARU-UHFFFAOYSA-N 0 0 248.351 2.642 20 70 BFIDRN CC(C)(C)c1noc(CSCCCF)n1 ZINC000161483727 349462874 /nfs/dbraw/zinc/46/28/74/349462874.db2.gz LBNSKEIBYBEWNX-UHFFFAOYSA-N 0 0 232.324 2.960 20 70 BFIDRN C[C@H]1CC[C@H](NC(=O)c2ccccc2)C1 ZINC000159584787 136214516 /nfs/dbraw/zinc/21/45/16/136214516.db2.gz XGCIBFUGEHYQOU-JQWIXIFHSA-N 0 0 203.285 2.605 20 70 BFIDRN Cc1cc(OCc2cc(F)ccc2F)nn1C ZINC000159732739 178212248 /nfs/dbraw/zinc/21/22/48/178212248.db2.gz CYZWKECIKGGYOQ-UHFFFAOYSA-N 0 0 238.237 2.586 20 70 BFIDRN CCC(CC)c1cc(C(=O)Nc2cn[nH]c2)on1 ZINC000160394842 168410496 /nfs/dbraw/zinc/41/04/96/168410496.db2.gz WSSFMPUQEDYHQX-UHFFFAOYSA-N 0 0 248.286 2.554 20 70 BFIDRN CCCCCOCC(=O)N[C@H]1CCC[C@H]1CC ZINC000159552547 398342109 /nfs/dbraw/zinc/34/21/09/398342109.db2.gz PTTGDAFVHDHVSS-OLZOCXBDSA-N 0 0 241.375 2.888 20 70 BFIDRN CC[C@H]1CCN(CC(=O)c2ccccc2F)C1 ZINC000160776924 362233741 /nfs/dbraw/zinc/23/37/41/362233741.db2.gz QWOJPKAXYYIQQK-NSHDSACASA-N 0 0 235.302 2.740 20 70 BFIDRN COCCN(C)C(=O)C[C@H]1CCCCC1(C)C ZINC000159956762 323055514 /nfs/dbraw/zinc/05/55/14/323055514.db2.gz ZTXANVLDUMEZLU-GFCCVEGCSA-N 0 0 241.375 2.698 20 70 BFIDRN COc1ccc(-c2c(C)ncnc2C)c(OC)c1 ZINC000218625330 344241084 /nfs/dbraw/zinc/24/10/84/344241084.db2.gz MPDUIMDGETVOQD-UHFFFAOYSA-N 0 0 244.294 2.778 20 70 BFIDRN Cc1ccc(F)cc1NC(=O)[C@@H]1CCCCO1 ZINC000159515858 178689747 /nfs/dbraw/zinc/68/97/47/178689747.db2.gz NPMKYRJJQOJJGO-LBPRGKRZSA-N 0 0 237.274 2.642 20 70 BFIDRN CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCO1 ZINC000159458879 345437356 /nfs/dbraw/zinc/43/73/56/345437356.db2.gz GKKUIOHPYCOJON-UPJWGTAASA-N 0 0 239.359 2.593 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)CCOCC(C)C ZINC000159516015 345439747 /nfs/dbraw/zinc/43/97/47/345439747.db2.gz YDIHASCYKUNACL-OLZOCXBDSA-N 0 0 241.375 2.744 20 70 BFIDRN CCc1ccc(CC(=O)Nc2ccccn2)cc1 ZINC000159538134 345441589 /nfs/dbraw/zinc/44/15/89/345441589.db2.gz MTYOXPSTPMSEOZ-UHFFFAOYSA-N 0 0 240.306 2.825 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)CCC1CC1 ZINC000159751598 345511169 /nfs/dbraw/zinc/51/11/69/345511169.db2.gz KVOSGIWTJGHINM-NWDGAFQWSA-N 0 0 209.333 2.872 20 70 BFIDRN Cc1cccc([C@@H]2CCC[N@@H+]2CCCF)n1 ZINC000159718474 345503923 /nfs/dbraw/zinc/50/39/23/345503923.db2.gz FKBNLECNPSAOKJ-ZDUSSCGKSA-N 0 0 222.307 2.887 20 70 BFIDRN C[C@@H](NC(=O)c1cccc2[nH]cnc21)C(C)(C)C ZINC000159511212 345466750 /nfs/dbraw/zinc/46/67/50/345466750.db2.gz WTOKFLPDODCCLO-SECBINFHSA-N 0 0 245.326 2.727 20 70 BFIDRN CSCCN(C)c1nc(C(C)(C)C)ns1 ZINC000159929967 345681500 /nfs/dbraw/zinc/68/15/00/345681500.db2.gz IMFFXBPAKQYSRG-UHFFFAOYSA-N 0 0 245.417 2.635 20 70 BFIDRN CC(=O)c1ccc(N2C[C@@H](C)C[C@@H]2C)nc1 ZINC000161418677 346185748 /nfs/dbraw/zinc/18/57/48/346185748.db2.gz AFZVTGIWDPKMNL-UWVGGRQHSA-N 0 0 218.300 2.519 20 70 BFIDRN CC1(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000160233701 346358017 /nfs/dbraw/zinc/35/80/17/346358017.db2.gz SUDYDMHPSOPVTR-UHFFFAOYSA-N 0 0 211.211 2.703 20 70 BFIDRN Cc1nc(C2(NCc3ccco3)CCCC2)no1 ZINC000161365314 346486183 /nfs/dbraw/zinc/48/61/83/346486183.db2.gz QUFZATQFLJONSH-UHFFFAOYSA-N 0 0 247.298 2.530 20 70 BFIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CC1 ZINC000160782713 323135367 /nfs/dbraw/zinc/13/53/67/323135367.db2.gz YULCMTUKYJEUEA-PWSUYJOCSA-N 0 0 209.333 2.824 20 70 BFIDRN Cc1ccnc(NC(=O)NCC2CCCC2)c1 ZINC000217576835 179436457 /nfs/dbraw/zinc/43/64/57/179436457.db2.gz UNHSPNZXBZALEZ-UHFFFAOYSA-N 0 0 233.315 2.702 20 70 BFIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC1CC1 ZINC000160464470 179553130 /nfs/dbraw/zinc/55/31/30/179553130.db2.gz AHBKJRWFRDDBQT-GHMZBOCLSA-N 0 0 235.352 2.686 20 70 BFIDRN CCN(CC)C(=O)c1ccc(C(F)(F)F)cn1 ZINC000161096853 349370817 /nfs/dbraw/zinc/37/08/17/349370817.db2.gz SDDWBRHXSTZVHI-UHFFFAOYSA-N 0 0 246.232 2.582 20 70 BFIDRN Cc1cc(C)cc(C(=O)N2CC=CCC2)c1 ZINC000217421612 490345405 /nfs/dbraw/zinc/34/54/05/490345405.db2.gz GPDBMSQVDAESCN-UHFFFAOYSA-N 0 0 215.296 2.706 20 70 BFIDRN Cc1ncc(CN[C@@H](C)c2cscn2)s1 ZINC000161188614 180153441 /nfs/dbraw/zinc/15/34/41/180153441.db2.gz ZHJWYYAVGPMEKP-ZETCQYMHSA-N 0 0 239.369 2.759 20 70 BFIDRN CC(C)CONC(=O)Nc1cccc2[nH]ccc21 ZINC000159805176 191117486 /nfs/dbraw/zinc/11/74/86/191117486.db2.gz PZODXGYMGQXWBC-UHFFFAOYSA-N 0 0 247.298 2.877 20 70 BFIDRN Cn1nccc1CSc1ncccc1Cl ZINC000161323603 323496829 /nfs/dbraw/zinc/49/68/29/323496829.db2.gz YGOQFSJOWSCAPT-UHFFFAOYSA-N 0 0 239.731 2.761 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(OC)c(N)c1 ZINC000161198893 188047579 /nfs/dbraw/zinc/04/75/79/188047579.db2.gz IKEBSYNSQZQWPQ-YGRLFVJLSA-N 0 0 248.326 2.652 20 70 BFIDRN CS[C@H](C)CC(=O)NC[C@@H]1Cc2ccccc21 ZINC000160290362 355851677 /nfs/dbraw/zinc/85/16/77/355851677.db2.gz JQICHLXJEWKYOW-PWSUYJOCSA-N 0 0 249.379 2.584 20 70 BFIDRN O=C(Nc1ccccc1)NC1CC=CC1 ZINC000160290516 538884237 /nfs/dbraw/zinc/88/42/37/538884237.db2.gz XGJUKXVHTLVRCY-UHFFFAOYSA-N 0 0 202.257 2.527 20 70 BFIDRN CC[C@@H](NC(=O)[C@H]1C[C@@H]1C)c1c(C)noc1C ZINC000160678223 538885575 /nfs/dbraw/zinc/88/55/75/538885575.db2.gz QQBPUJJNJPHJRM-BKDNQFJXSA-N 0 0 236.315 2.515 20 70 BFIDRN CC[C@H](NC(=O)[C@H]1C[C@@H]1C)c1c(C)noc1C ZINC000160678101 538885657 /nfs/dbraw/zinc/88/56/57/538885657.db2.gz QQBPUJJNJPHJRM-SWPVVBRQSA-N 0 0 236.315 2.515 20 70 BFIDRN C[C@@H](SC[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000217792136 134250235 /nfs/dbraw/zinc/25/02/35/134250235.db2.gz JBYMPTGKNVFCJV-NXEZZACHSA-N 0 0 246.372 2.629 20 70 BFIDRN Cc1ccc(CNC(=O)N2CCC(C)CC2)o1 ZINC000160513576 361254687 /nfs/dbraw/zinc/25/46/87/361254687.db2.gz PGQKZUAIAMEVTN-UHFFFAOYSA-N 0 0 236.315 2.530 20 70 BFIDRN Cc1cccc([C@H](C)NC(=O)C(C)C)c1 ZINC000160324701 361306271 /nfs/dbraw/zinc/30/62/71/361306271.db2.gz QNPIEOAJNDSBAQ-NSHDSACASA-N 0 0 205.301 2.828 20 70 BFIDRN CCOC(=O)CCc1cc2ccccc2o1 ZINC000160759308 361326947 /nfs/dbraw/zinc/32/69/47/361326947.db2.gz QJNTYBYFCSZYFG-UHFFFAOYSA-N 0 0 218.252 2.929 20 70 BFIDRN O=C(Cc1ccc(F)cc1)NCC1(C2CC2)CC1 ZINC000159706442 182036017 /nfs/dbraw/zinc/03/60/17/182036017.db2.gz BRLZAWJXFSGWNA-UHFFFAOYSA-N 0 0 247.313 2.675 20 70 BFIDRN O=C(N[C@H]1CCCc2sccc21)c1ccon1 ZINC000159870888 182335007 /nfs/dbraw/zinc/33/50/07/182335007.db2.gz LIUNICYWARXFCX-VIFPVBQESA-N 0 0 248.307 2.544 20 70 BFIDRN CCCCn1ncc(Nc2nccc(C)n2)c1C ZINC000161117803 169039896 /nfs/dbraw/zinc/03/98/96/169039896.db2.gz PSGZGEGPVQMSBM-UHFFFAOYSA-N 0 0 245.330 2.834 20 70 BFIDRN CCC[C@@H](C(=O)NCc1ccccn1)C(C)C ZINC000161333285 169345685 /nfs/dbraw/zinc/34/56/85/169345685.db2.gz VNKWCFGRGKAAOT-CYBMUJFWSA-N 0 0 234.343 2.770 20 70 BFIDRN Cc1ccc(F)c(NC(=O)[C@@H]2CCCCO2)c1 ZINC000159623229 384344511 /nfs/dbraw/zinc/34/45/11/384344511.db2.gz YMSOASPSAIKNOU-LBPRGKRZSA-N 0 0 237.274 2.642 20 70 BFIDRN O=C(OCCCc1ccccc1)[C@@H]1CCCCO1 ZINC000159397433 384327682 /nfs/dbraw/zinc/32/76/82/384327682.db2.gz POUDNXBPGSIQLF-AWEZNQCLSA-N 0 0 248.322 2.732 20 70 BFIDRN CC(C)c1cc(=O)n(CC2CCCCC2)cn1 ZINC000160649723 384426353 /nfs/dbraw/zinc/42/63/53/384426353.db2.gz UPULPDQIDFDCIJ-UHFFFAOYSA-N 0 0 234.343 2.947 20 70 BFIDRN CN(Cc1cncs1)Cc1cccc(F)c1 ZINC000160458666 384414998 /nfs/dbraw/zinc/41/49/98/384414998.db2.gz MEVWOKNMLIJWKG-UHFFFAOYSA-N 0 0 236.315 2.914 20 70 BFIDRN COc1cc(C)ccc1CNc1ccnc(C)n1 ZINC000160522211 384418826 /nfs/dbraw/zinc/41/88/26/384418826.db2.gz VOFIOMQYDRQIKC-UHFFFAOYSA-N 0 0 243.310 2.714 20 70 BFIDRN c1ccc2[nH]c(N[C@@H]3CCCSC3)nc2c1 ZINC000160555272 384419442 /nfs/dbraw/zinc/41/94/42/384419442.db2.gz DIAQAQAUHOJNGC-SECBINFHSA-N 0 0 233.340 2.870 20 70 BFIDRN CC(C)n1cccc1C(=O)NCc1ccccc1 ZINC000160596291 384422192 /nfs/dbraw/zinc/42/21/92/384422192.db2.gz UGBNJDDVOZHAHT-UHFFFAOYSA-N 0 0 242.322 2.999 20 70 BFIDRN Cc1ccc(CC(=O)NCC2(C3CC3)CC2)cc1 ZINC000160136272 384387462 /nfs/dbraw/zinc/38/74/62/384387462.db2.gz IPLBANYTXRRFPC-UHFFFAOYSA-N 0 0 243.350 2.844 20 70 BFIDRN CC(C)CC(=O)N1CCc2c(F)cccc2C1 ZINC000160936237 384450443 /nfs/dbraw/zinc/45/04/43/384450443.db2.gz MNPUONBGCAYQDC-UHFFFAOYSA-N 0 0 235.302 2.757 20 70 BFIDRN Cc1ccc(CN(C)Cc2cncs2)o1 ZINC000160847312 384439409 /nfs/dbraw/zinc/43/94/09/384439409.db2.gz WXAYVIVEFJSXPB-UHFFFAOYSA-N 0 0 222.313 2.677 20 70 BFIDRN CCOCCC1(C(=O)N2CCCCC2)CCC1 ZINC000161094471 384463692 /nfs/dbraw/zinc/46/36/92/384463692.db2.gz ROOSOYRCZJACNH-UHFFFAOYSA-N 0 0 239.359 2.596 20 70 BFIDRN Cn1nccc1CSCc1ccccc1 ZINC000161206041 384472149 /nfs/dbraw/zinc/47/21/49/384472149.db2.gz MBNIVGQERLXBKN-UHFFFAOYSA-N 0 0 218.325 2.854 20 70 BFIDRN C[C@@H](NC(=O)NC1(C)CCC1)c1cccc(O)c1 ZINC000161198069 384474204 /nfs/dbraw/zinc/47/42/04/384474204.db2.gz QJYYLCVNQCHQME-SNVBAGLBSA-N 0 0 248.326 2.695 20 70 BFIDRN CCSCCNc1ccccc1OC ZINC000161259055 384954489 /nfs/dbraw/zinc/95/44/89/384954489.db2.gz IJKGRUVZSSPHCK-UHFFFAOYSA-N 0 0 211.330 2.860 20 70 BFIDRN CCC(=O)c1cccc(NC(=O)c2ccc[nH]2)c1 ZINC000161338186 384972754 /nfs/dbraw/zinc/97/27/54/384972754.db2.gz UACKAXJDNRWSRD-UHFFFAOYSA-N 0 0 242.278 2.860 20 70 BFIDRN O=c1ccn(Cc2nccs2)c2ccccc12 ZINC000161353156 384974076 /nfs/dbraw/zinc/97/40/76/384974076.db2.gz REVCAOQTRQSVAG-UHFFFAOYSA-N 0 0 242.303 2.506 20 70 BFIDRN CCCCC(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160100364 387074115 /nfs/dbraw/zinc/07/41/15/387074115.db2.gz CDTYEBNBXOACBQ-UHFFFAOYSA-N 0 0 233.315 2.791 20 70 BFIDRN C[C@@H](NCCC(F)(F)F)c1cscn1 ZINC000161220596 387151885 /nfs/dbraw/zinc/15/18/85/387151885.db2.gz ZFPNIMLZIZHSAK-ZCFIWIBFSA-N 0 0 224.251 2.746 20 70 BFIDRN C[C@H]1CC[C@H](C)N1C(=O)Cc1ccsc1 ZINC000161403259 387208594 /nfs/dbraw/zinc/20/85/94/387208594.db2.gz LTMMWAJWPHFMMP-UWVGGRQHSA-N 0 0 223.341 2.690 20 70 BFIDRN COc1ccsc1C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000161495095 387230965 /nfs/dbraw/zinc/23/09/65/387230965.db2.gz NYTBPICUVVHRGL-IUCAKERBSA-N 0 0 239.340 2.770 20 70 BFIDRN CN(CCOCc1ccccc1)C(=O)C(C)(C)C ZINC000159425486 388014766 /nfs/dbraw/zinc/01/47/66/388014766.db2.gz LDVIPMWRHJORTJ-UHFFFAOYSA-N 0 0 249.354 2.708 20 70 BFIDRN C[C@H](CO)SC/C=C/c1ccccc1 ZINC000160731096 388086278 /nfs/dbraw/zinc/08/62/78/388086278.db2.gz KOLCJKIFMSVHPI-AYLMVEPYSA-N 0 0 208.326 2.814 20 70 BFIDRN CC(C)c1nsc(NC2CC(C)C2)n1 ZINC000161422514 388590129 /nfs/dbraw/zinc/59/01/29/388590129.db2.gz KABZJNLIHDCFGZ-UHFFFAOYSA-N 0 0 211.334 2.872 20 70 BFIDRN CC(C)C1CCN(C(=O)NC2CCC2)CC1 ZINC000218001419 388574580 /nfs/dbraw/zinc/57/45/80/388574580.db2.gz UHXZZDWADFWXAM-UHFFFAOYSA-N 0 0 224.348 2.617 20 70 BFIDRN CC1CCN(C(=O)N2CCC[C@@H](C)[C@H]2C)CC1 ZINC000160506625 133507400 /nfs/dbraw/zinc/50/74/00/133507400.db2.gz ADJYAVKSNZXZNI-CHWSQXEVSA-N 0 0 238.375 2.959 20 70 BFIDRN C[C@H]1CC[C@H](CC(=O)N(C)Cc2cccn2C)C1 ZINC000160504984 133507598 /nfs/dbraw/zinc/50/75/98/133507598.db2.gz WCRRFZFPLDFPRD-STQMWFEESA-N 0 0 248.370 2.810 20 70 BFIDRN COc1ccnc(NC[C@H]2CCC[C@@H](C)C2)n1 ZINC000217925694 134250806 /nfs/dbraw/zinc/25/08/06/134250806.db2.gz SGIQNNWPAXOZCZ-MNOVXSKESA-N 0 0 235.331 2.723 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCCO1 ZINC000159640994 134783586 /nfs/dbraw/zinc/78/35/86/134783586.db2.gz OSIUBVNCBQKEGC-AGIUHOORSA-N 0 0 239.359 2.641 20 70 BFIDRN CCN(CC)C(=O)[C@H](C)c1c(F)cccc1F ZINC000160970550 397772667 /nfs/dbraw/zinc/77/26/67/397772667.db2.gz POPGYARQJPMEOH-SECBINFHSA-N 0 0 241.281 2.937 20 70 BFIDRN CCSCCn1cnc2c1CCCC2 ZINC000160403714 397972536 /nfs/dbraw/zinc/97/25/36/397972536.db2.gz YWTDQUPCHSELSO-UHFFFAOYSA-N 0 0 210.346 2.515 20 70 BFIDRN Cc1cccc(CNC(=O)[C@H]2CCC[C@H](C)C2)n1 ZINC000161144757 487567249 /nfs/dbraw/zinc/56/72/49/487567249.db2.gz BJIUGAMIZRRVIB-AAEUAGOBSA-N 0 0 246.354 2.833 20 70 BFIDRN Cc1cc(C(=O)N2CC=C(C)CC2)ccc1F ZINC000160179453 168108315 /nfs/dbraw/zinc/10/83/15/168108315.db2.gz ZJEHIAUBJJYEAY-UHFFFAOYSA-N 0 0 233.286 2.926 20 70 BFIDRN CC1=CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000160172812 168110987 /nfs/dbraw/zinc/11/09/87/168110987.db2.gz AKPVMIKAPMZMNO-UHFFFAOYSA-N 0 0 236.702 2.527 20 70 BFIDRN CCOCCN(C)c1ccccc1OCC ZINC000159381000 170391666 /nfs/dbraw/zinc/39/16/66/170391666.db2.gz CAOGSUSMNDYWIC-UHFFFAOYSA-N 0 0 223.316 2.558 20 70 BFIDRN CC[C@H](NC(=O)C1CC=CC1)c1c(C)noc1C ZINC000160661764 171495992 /nfs/dbraw/zinc/49/59/92/171495992.db2.gz QVOQQIAZWGCIEY-LBPRGKRZSA-N 0 0 248.326 2.825 20 70 BFIDRN CCc1ccc([C@@H]2CCCCCN2C(N)=O)o1 ZINC000160804605 171835997 /nfs/dbraw/zinc/83/59/97/171835997.db2.gz KGOLJTOURYODMP-NSHDSACASA-N 0 0 236.315 2.838 20 70 BFIDRN COc1cc(NC[C@H]2CCC=CO2)ccc1F ZINC000159950975 175002402 /nfs/dbraw/zinc/00/24/02/175002402.db2.gz OGTLTRSTOMEKHV-LLVKDONJSA-N 0 0 237.274 2.939 20 70 BFIDRN COc1cc(N[C@H](C)c2cnn(C)c2)ccc1F ZINC000159963810 175004293 /nfs/dbraw/zinc/00/42/93/175004293.db2.gz ROKRNXNHZBNGRU-SECBINFHSA-N 0 0 249.289 2.741 20 70 BFIDRN COc1cc(N[C@H](C)[C@H]2CCOC2)ccc1F ZINC000160107159 175004331 /nfs/dbraw/zinc/00/43/31/175004331.db2.gz NSYZMPQHUHNNOZ-ZJUUUORDSA-N 0 0 239.290 2.671 20 70 BFIDRN COc1ccc(N(C)C(=O)C2CC2)cc1Cl ZINC000159875307 175135148 /nfs/dbraw/zinc/13/51/48/175135148.db2.gz HWCUAUTVZJXUEB-UHFFFAOYSA-N 0 0 239.702 2.721 20 70 BFIDRN CSCCSc1ccccc1O ZINC000159967741 175501040 /nfs/dbraw/zinc/50/10/40/175501040.db2.gz WCLYJEXQBPDHBO-UHFFFAOYSA-N 0 0 200.328 2.847 20 70 BFIDRN CS[C@H](C)CNC(=O)c1ccc(C)cc1F ZINC000159465067 175562861 /nfs/dbraw/zinc/56/28/61/175562861.db2.gz JGUCHTUPFPDXAE-SECBINFHSA-N 0 0 241.331 2.615 20 70 BFIDRN CCN(Cc1cccc(F)c1)C(=O)C1(C)CC1 ZINC000159619085 323040571 /nfs/dbraw/zinc/04/05/71/323040571.db2.gz IFGATXYDWIDUTR-UHFFFAOYSA-N 0 0 235.302 2.974 20 70 BFIDRN CC(C)(C)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159617815 323040594 /nfs/dbraw/zinc/04/05/94/323040594.db2.gz YLSUBMIEZKQUSR-UHFFFAOYSA-N 0 0 244.338 2.873 20 70 BFIDRN CC(C)CCNC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000159657241 323042720 /nfs/dbraw/zinc/04/27/20/323042720.db2.gz JAFIBJKEASBCTD-VXGBXAGGSA-N 0 0 226.364 2.720 20 70 BFIDRN CC1(C)C(C(=O)NCC2(C3CC3)CC2)C1(C)C ZINC000159724883 323045204 /nfs/dbraw/zinc/04/52/04/323045204.db2.gz RRJNQGOXGTYRJI-UHFFFAOYSA-N 0 0 235.371 2.975 20 70 BFIDRN COC(=O)c1coc(CSc2ccncc2)c1 ZINC000159893316 323052490 /nfs/dbraw/zinc/05/24/90/323052490.db2.gz OJAKENMGEHNDOK-UHFFFAOYSA-N 0 0 249.291 2.754 20 70 BFIDRN CC[C@@H](C)[C@@H](C)NC(=O)NC1(C)CCC1 ZINC000159970115 323055979 /nfs/dbraw/zinc/05/59/79/323055979.db2.gz KKSXVJOTMMDGQV-NXEZZACHSA-N 0 0 212.337 2.663 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)[C@@H]1CC=CCC1 ZINC000159980253 323056498 /nfs/dbraw/zinc/05/64/98/323056498.db2.gz URZNYLFPCZUKQK-LLVKDONJSA-N 0 0 219.328 2.649 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccnn1CC(C)C ZINC000159993527 323057207 /nfs/dbraw/zinc/05/72/07/323057207.db2.gz IXBDGVJMEWTQHH-FZMZJTMJSA-N 0 0 249.358 2.914 20 70 BFIDRN Cc1cccc(CC(=O)NCC2(C3CC3)CC2)c1 ZINC000160126662 323061041 /nfs/dbraw/zinc/06/10/41/323061041.db2.gz KTXZBTBPMYYWEV-UHFFFAOYSA-N 0 0 243.350 2.844 20 70 BFIDRN COC[C@H](C)SCCc1c(C)noc1C ZINC000160148084 323061214 /nfs/dbraw/zinc/06/12/14/323061214.db2.gz RHUUMNXZGODNBK-QMMMGPOBSA-N 0 0 229.345 2.602 20 70 BFIDRN COc1cccc2c1CC[C@@H]2NC(=O)C(C)(C)C ZINC000160196567 323062948 /nfs/dbraw/zinc/06/29/48/323062948.db2.gz QEBYNYXFCUUZPU-LBPRGKRZSA-N 0 0 247.338 2.845 20 70 BFIDRN COc1cccnc1NCCCC(C)C ZINC000160214181 323064192 /nfs/dbraw/zinc/06/41/92/323064192.db2.gz OFKUGGRQINHHSF-UHFFFAOYSA-N 0 0 208.305 2.938 20 70 BFIDRN CC[C@@H](C)C(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160481551 323068561 /nfs/dbraw/zinc/06/85/61/323068561.db2.gz CJXSTEYLDWVSHU-SECBINFHSA-N 0 0 245.326 2.534 20 70 BFIDRN C/C=C/C=C/C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160510269 323069730 /nfs/dbraw/zinc/06/97/30/323069730.db2.gz IVMLHCDUXUDBEP-VNKDHWASSA-N 0 0 245.278 2.510 20 70 BFIDRN CCCC1(CNC(=O)CC(F)(F)F)CC1 ZINC000160534882 323070320 /nfs/dbraw/zinc/07/03/20/323070320.db2.gz LUEOUZNNJLCZOV-UHFFFAOYSA-N 0 0 223.238 2.635 20 70 BFIDRN CCC(CC)CNC(=O)N(C)[C@H](C)C1CC1 ZINC000160581545 323072787 /nfs/dbraw/zinc/07/27/87/323072787.db2.gz UVOGVTKDABMXBX-SNVBAGLBSA-N 0 0 226.364 2.863 20 70 BFIDRN CC(C)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000160616387 323073916 /nfs/dbraw/zinc/07/39/16/323073916.db2.gz DRJUAQJTSDNZMB-UHFFFAOYSA-N 0 0 225.675 2.904 20 70 BFIDRN COc1ccc(N(C)C(=O)C2CC=CC2)cc1F ZINC000159737142 323075227 /nfs/dbraw/zinc/07/52/27/323075227.db2.gz YEGPZIYMENBCOW-UHFFFAOYSA-N 0 0 249.285 2.763 20 70 BFIDRN Cn1nccc1COc1ccc(F)cc1Cl ZINC000161202558 323075863 /nfs/dbraw/zinc/07/58/63/323075863.db2.gz KSRZVPNVKQOVAR-UHFFFAOYSA-N 0 0 240.665 2.792 20 70 BFIDRN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC000160654678 323076147 /nfs/dbraw/zinc/07/61/47/323076147.db2.gz LTXZSBMAMNVMLR-HBNTYKKESA-N 0 0 241.400 2.823 20 70 BFIDRN CC(C)c1cc(C(=O)Nc2ccccc2O)no1 ZINC000160712366 323103610 /nfs/dbraw/zinc/10/36/10/323103610.db2.gz CIFYFFMUEHZYPR-UHFFFAOYSA-N 0 0 246.266 2.756 20 70 BFIDRN CCCC1(CNC(=O)[C@H](C)C2CC2)CC1 ZINC000160730730 323104006 /nfs/dbraw/zinc/10/40/06/323104006.db2.gz MRLZNWQLHCJAEK-SNVBAGLBSA-N 0 0 209.333 2.729 20 70 BFIDRN Cn1ccc(NC(=O)C[C@@H]2CCCC(C)(C)C2)n1 ZINC000160763472 323134625 /nfs/dbraw/zinc/13/46/25/323134625.db2.gz HOILINCEVNQOGL-NSHDSACASA-N 0 0 249.358 2.965 20 70 BFIDRN CCc1cccc(NC(=O)c2cc(C)ncn2)c1 ZINC000161192355 323186081 /nfs/dbraw/zinc/18/60/81/323186081.db2.gz MOZBCVDTYXBCMF-UHFFFAOYSA-N 0 0 241.294 2.600 20 70 BFIDRN CCCOCC(=O)N(C)[C@H]1CCCC[C@H]1CC ZINC000161192945 323195996 /nfs/dbraw/zinc/19/59/96/323195996.db2.gz FCFCERYQVDAQNU-OLZOCXBDSA-N 0 0 241.375 2.840 20 70 BFIDRN CC(C)c1ccc(C(=O)Nc2ccccn2)cn1 ZINC000161202565 323465799 /nfs/dbraw/zinc/46/57/99/323465799.db2.gz CWKWPKOSKYEHFQ-UHFFFAOYSA-N 0 0 241.294 2.852 20 70 BFIDRN Cc1cc(C(=O)NC2CC2)c(Cl)cc1F ZINC000161222842 323469665 /nfs/dbraw/zinc/46/96/65/323469665.db2.gz OUMVZFRPGSODGO-UHFFFAOYSA-N 0 0 227.666 2.680 20 70 BFIDRN Cn1ccc(-c2nc3cc(F)ccc3n2C)c1 ZINC000160265744 487552031 /nfs/dbraw/zinc/55/20/31/487552031.db2.gz RTEOFJVLVKGTAC-UHFFFAOYSA-N 0 0 229.258 2.718 20 70 BFIDRN CCC1(CNc2ncnc3c2CCCC3)CC1 ZINC000217812528 490485831 /nfs/dbraw/zinc/48/58/31/490485831.db2.gz BRZKUXYLQINDNW-UHFFFAOYSA-N 0 0 231.343 2.958 20 70 BFIDRN CC[C@@H](CSC)Nc1ccc(Cl)nn1 ZINC000217384574 589471085 /nfs/dbraw/zinc/47/10/85/589471085.db2.gz ZVIGMNGNWSHSIG-ZETCQYMHSA-N 0 0 231.752 2.684 20 70 BFIDRN CO[C@@H]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC000216938434 592091445 /nfs/dbraw/zinc/09/14/45/592091445.db2.gz JPBTYVMWHQNYCE-UONOGXRCSA-N 0 0 248.322 2.935 20 70 BFIDRN CCO[C@H](C(=O)NC1CC=CC1)c1ccccc1 ZINC000160840723 538912964 /nfs/dbraw/zinc/91/29/64/538912964.db2.gz CGZIPDHUGHNTHI-AWEZNQCLSA-N 0 0 245.322 2.599 20 70 BFIDRN C[C@@H]1CC[C@H](NC(=O)c2ccccc2)C1 ZINC000159584647 136214515 /nfs/dbraw/zinc/21/45/15/136214515.db2.gz XGCIBFUGEHYQOU-PWSUYJOCSA-N 0 0 203.285 2.605 20 70 BFIDRN Cc1ccc(-c2[nH]nc(NC(=O)C3CC3)c2C)o1 ZINC000161468272 178330941 /nfs/dbraw/zinc/33/09/41/178330941.db2.gz BAXPIMHFNSSRDY-UHFFFAOYSA-N 0 0 245.282 2.635 20 70 BFIDRN Cc1ccc(CN(CC(F)F)C2CC2)nc1 ZINC000160058909 398343110 /nfs/dbraw/zinc/34/31/10/398343110.db2.gz HULCIIJWEWQTKJ-UHFFFAOYSA-N 0 0 226.270 2.620 20 70 BFIDRN CC[C@@H]1CCN(CC(=O)c2ccccc2F)C1 ZINC000160776795 362233805 /nfs/dbraw/zinc/23/38/05/362233805.db2.gz QWOJPKAXYYIQQK-LLVKDONJSA-N 0 0 235.302 2.740 20 70 BFIDRN CCC[N@H+](Cc1ccc(C)cn1)C1CC1 ZINC000159836265 323050411 /nfs/dbraw/zinc/05/04/11/323050411.db2.gz RIBUMTWTNLJJFI-UHFFFAOYSA-N 0 0 204.317 2.764 20 70 BFIDRN CC(C)(C(=O)N1CCSCC1)C1CCCC1 ZINC000159954334 323055357 /nfs/dbraw/zinc/05/53/57/323055357.db2.gz PMPXLJVAEASCRC-UHFFFAOYSA-N 0 0 241.400 2.778 20 70 BFIDRN COC[C@H]1CCCN(C(=O)CCC(C)(C)C)C1 ZINC000160200471 323063364 /nfs/dbraw/zinc/06/33/64/323063364.db2.gz IJTNUVIXTDBPAJ-LBPRGKRZSA-N 0 0 241.375 2.698 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H](C)SC ZINC000160237670 323064388 /nfs/dbraw/zinc/06/43/88/323064388.db2.gz ZIZFBWMXMNOSMQ-GMTAPVOTSA-N 0 0 244.404 2.616 20 70 BFIDRN Cc1cccc(CCNC(=O)NC2(C)CCC2)c1 ZINC000160366865 187301363 /nfs/dbraw/zinc/30/13/63/187301363.db2.gz UPEPFEGSVLQHFR-UHFFFAOYSA-N 0 0 246.354 2.779 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)CC[C@@H]1CCCO1 ZINC000159641290 345450952 /nfs/dbraw/zinc/45/09/52/345450952.db2.gz OSIUBVNCBQKEGC-FRRDWIJNSA-N 0 0 239.359 2.641 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)CC[C@@H]1CCCO1 ZINC000159641435 345451994 /nfs/dbraw/zinc/45/19/94/345451994.db2.gz OSIUBVNCBQKEGC-RWMBFGLXSA-N 0 0 239.359 2.641 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)CCC1CC1 ZINC000159751366 345511289 /nfs/dbraw/zinc/51/12/89/345511289.db2.gz KVOSGIWTJGHINM-RYUDHWBXSA-N 0 0 209.333 2.872 20 70 BFIDRN CSCCC(=O)N[C@@H](C)CC(C)(C)C ZINC000218466018 345745295 /nfs/dbraw/zinc/74/52/95/345745295.db2.gz HGOHUVOPCVOLAF-VIFPVBQESA-N 0 0 217.378 2.680 20 70 BFIDRN CCCC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000160572692 168536571 /nfs/dbraw/zinc/53/65/71/168536571.db2.gz FFQQRAUOLHNCNQ-UHFFFAOYSA-N 0 0 221.222 2.508 20 70 BFIDRN CCSCCNc1ccc(F)cc1OC ZINC000161264917 346166209 /nfs/dbraw/zinc/16/62/09/346166209.db2.gz HLXMHNUHYKURMK-UHFFFAOYSA-N 0 0 229.320 2.999 20 70 BFIDRN Cc1cc(OCc2c(C)cccc2C)nn1C ZINC000159737930 179039040 /nfs/dbraw/zinc/03/90/40/179039040.db2.gz VWLOPOXEFQKTGZ-UHFFFAOYSA-N 0 0 230.311 2.924 20 70 BFIDRN CC1(C)C[C@@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000160523834 346456522 /nfs/dbraw/zinc/45/65/22/346456522.db2.gz OSNWKEPPOCXOBQ-CYBMUJFWSA-N 0 0 244.338 2.619 20 70 BFIDRN Cc1cccc([C@@H]2CCCN2Cc2ccon2)n1 ZINC000160239583 179189821 /nfs/dbraw/zinc/18/98/21/179189821.db2.gz HOQFKOPKDXTENI-AWEZNQCLSA-N 0 0 243.310 2.715 20 70 BFIDRN CO[C@H](C)[C@@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000161230613 362801090 /nfs/dbraw/zinc/80/10/90/362801090.db2.gz UBUOVOIDYCTRNH-GHMZBOCLSA-N 0 0 245.326 2.912 20 70 BFIDRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)[NH3+] ZINC000159692519 179323536 /nfs/dbraw/zinc/32/35/36/179323536.db2.gz BCEPWEUUEMNWMX-TZMCWYRMSA-N 0 0 248.370 2.546 20 70 BFIDRN CC1CCN(C(=O)N2CCC[C@H](C)[C@H]2C)CC1 ZINC000160506506 348965421 /nfs/dbraw/zinc/96/54/21/348965421.db2.gz ADJYAVKSNZXZNI-QWHCGFSZSA-N 0 0 238.375 2.959 20 70 BFIDRN CC1(C)C(CNC(=O)NC2CCCC2)C1(C)C ZINC000160670020 349289432 /nfs/dbraw/zinc/28/94/32/349289432.db2.gz KRPMXMUZNSFEEU-UHFFFAOYSA-N 0 0 238.375 2.910 20 70 BFIDRN CC(C)(C)C1=CCN(C(=O)NC2CCC2)CC1 ZINC000160817709 349328182 /nfs/dbraw/zinc/32/81/82/349328182.db2.gz CCPQEEVYGHZHOZ-UHFFFAOYSA-N 0 0 236.359 2.927 20 70 BFIDRN CC1CCN(C(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000160730271 349314795 /nfs/dbraw/zinc/31/47/95/349314795.db2.gz DDMCBGSJSPFMTM-BETUJISGSA-N 0 0 236.359 2.570 20 70 BFIDRN CCC1(C(=O)N(C)Cc2cccn2C)CCCC1 ZINC000161014896 349359872 /nfs/dbraw/zinc/35/98/72/349359872.db2.gz FJSLFIAUNDNGTN-UHFFFAOYSA-N 0 0 248.370 2.954 20 70 BFIDRN Cc1nc(CCNc2cccc(F)n2)cs1 ZINC000218119024 179941902 /nfs/dbraw/zinc/94/19/02/179941902.db2.gz TWXTZYNILFQMSP-UHFFFAOYSA-N 0 0 237.303 2.640 20 70 BFIDRN Cc1ccc2c(c1)N(Cc1ccccn1)CC2 ZINC000159816826 351006128 /nfs/dbraw/zinc/00/61/28/351006128.db2.gz WOMGCHVBPAVZJU-UHFFFAOYSA-N 0 0 224.307 2.953 20 70 BFIDRN CC(C)COCCCNc1cccc(F)n1 ZINC000218112760 187564819 /nfs/dbraw/zinc/56/48/19/187564819.db2.gz GBHQJXZCQOFABJ-UHFFFAOYSA-N 0 0 226.295 2.695 20 70 BFIDRN CN(C(=O)C1(C)CCC1)c1ccc2c(c1)OCO2 ZINC000160187078 187987941 /nfs/dbraw/zinc/98/79/41/187987941.db2.gz LNZZVNKSANVYKN-UHFFFAOYSA-N 0 0 247.294 2.568 20 70 BFIDRN CCCCCNC(=O)c1ccc(OC)cc1F ZINC000218432907 168713636 /nfs/dbraw/zinc/71/36/36/168713636.db2.gz QVCHDYFKZRTUHA-UHFFFAOYSA-N 0 0 239.290 2.754 20 70 BFIDRN CC(C)CONC(=O)Nc1cccc(F)c1F ZINC000159677734 188334740 /nfs/dbraw/zinc/33/47/40/188334740.db2.gz DTPVUMMDWLPYFS-UHFFFAOYSA-N 0 0 244.241 2.674 20 70 BFIDRN O=C(N[C@@H]1CCc2ccccc21)C1=CCCC1 ZINC000160264479 355771847 /nfs/dbraw/zinc/77/18/47/355771847.db2.gz XNUOCWBZOSMXGL-CQSZACIVSA-N 0 0 227.307 2.900 20 70 BFIDRN CCC(CC)CNC(=O)N(C)Cc1ccccn1 ZINC000160554205 357060780 /nfs/dbraw/zinc/06/07/80/357060780.db2.gz FQXBFTRJIFJCAI-UHFFFAOYSA-N 0 0 249.358 2.659 20 70 BFIDRN C[C@@H]1CCC[C@H](CNc2ncccn2)C1 ZINC000217921744 134251245 /nfs/dbraw/zinc/25/12/45/134251245.db2.gz GNRMXCOEERZJLE-MNOVXSKESA-N 0 0 205.305 2.715 20 70 BFIDRN CC[C@@H](C)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159816017 361290943 /nfs/dbraw/zinc/29/09/43/361290943.db2.gz KUGAWQJOFDATMD-SECBINFHSA-N 0 0 211.280 2.762 20 70 BFIDRN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000160015616 541495322 /nfs/dbraw/zinc/49/53/22/541495322.db2.gz CSHNUCIFYUFXBQ-FBIMIBRVSA-N 0 0 235.352 2.898 20 70 BFIDRN O=C(/C=C/c1cccnc1)NCCC1=CCCC1 ZINC000160215798 181842219 /nfs/dbraw/zinc/84/22/19/181842219.db2.gz QGTXRAJESFUMFI-BQYQJAHWSA-N 0 0 242.322 2.711 20 70 BFIDRN O=C(N[C@H]1CCCc2sccc21)c1cocn1 ZINC000160189822 182334688 /nfs/dbraw/zinc/33/46/88/182334688.db2.gz YOYJVKFOHPYWEQ-VIFPVBQESA-N 0 0 248.307 2.544 20 70 BFIDRN CCCCn1ccc2sccc2c1=O ZINC000161474562 169037157 /nfs/dbraw/zinc/03/71/57/169037157.db2.gz WDICQMBILXHJOX-UHFFFAOYSA-N 0 0 207.298 2.863 20 70 BFIDRN CCc1cccc(CC(=O)N(C)CC2CC2)c1 ZINC000159366373 384005340 /nfs/dbraw/zinc/00/53/40/384005340.db2.gz UPOQNGFTCCMJAK-UHFFFAOYSA-N 0 0 231.339 2.660 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(C)nc1 ZINC000159664101 384349048 /nfs/dbraw/zinc/34/90/48/384349048.db2.gz FXSXACQSDZHKPP-UONOGXRCSA-N 0 0 246.354 2.627 20 70 BFIDRN Cc1ccc(OC(=O)[C@@H]2CCCCO2)c(C)c1 ZINC000159916915 384371525 /nfs/dbraw/zinc/37/15/25/384371525.db2.gz DSNTWOGSFUQDLM-ZDUSSCGKSA-N 0 0 234.295 2.778 20 70 BFIDRN Cc1cc(C(=O)NCC2(C3CC3)CC2)c(C)o1 ZINC000159927526 384372598 /nfs/dbraw/zinc/37/25/98/384372598.db2.gz XMCUJDPHAXPGOZ-UHFFFAOYSA-N 0 0 233.311 2.816 20 70 BFIDRN CCCCC(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000160240452 384395618 /nfs/dbraw/zinc/39/56/18/384395618.db2.gz IGJYJEFHMKPIOH-UHFFFAOYSA-N 0 0 248.286 2.502 20 70 BFIDRN CCc1cc(=O)[nH]c(C[N@H+]2CCCC[C@H]2CC)n1 ZINC000160465807 384416103 /nfs/dbraw/zinc/41/61/03/384416103.db2.gz VJXFQYYXSANIMM-GFCCVEGCSA-N 0 0 249.358 2.509 20 70 BFIDRN CC[C@@H](C)NC(=O)[C@H](C)c1c(F)cccc1F ZINC000160465440 384416128 /nfs/dbraw/zinc/41/61/28/384416128.db2.gz CIFVEUSNWHWITF-RKDXNWHRSA-N 0 0 241.281 2.983 20 70 BFIDRN CC1(C)C[C@H]1C(=O)N(Cc1ccncc1)C1CC1 ZINC000160523952 384417653 /nfs/dbraw/zinc/41/76/53/384417653.db2.gz OSNWKEPPOCXOBQ-ZDUSSCGKSA-N 0 0 244.338 2.619 20 70 BFIDRN CCCCCCn1cnc(C(C)C)cc1=O ZINC000160711604 384431604 /nfs/dbraw/zinc/43/16/04/384431604.db2.gz UPFIIGJIYRVTPV-UHFFFAOYSA-N 0 0 222.332 2.947 20 70 BFIDRN CCCn1c(C)nnc1COc1ccccc1F ZINC000161182781 384474591 /nfs/dbraw/zinc/47/45/91/384474591.db2.gz NDFVCEYCJILJMB-UHFFFAOYSA-N 0 0 249.289 2.715 20 70 BFIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)C1CC1 ZINC000161326357 384483018 /nfs/dbraw/zinc/48/30/18/384483018.db2.gz KNCPEUHCTQVTLE-WDEREUQCSA-N 0 0 235.352 2.781 20 70 BFIDRN CCC[C@H](C(=O)NCc1cccnc1)C(C)C ZINC000161345115 384483148 /nfs/dbraw/zinc/48/31/48/384483148.db2.gz QBPRLFYEBRKKPW-ZDUSSCGKSA-N 0 0 234.343 2.770 20 70 BFIDRN CC[C@H](SCC(=O)NC)c1ccc(F)cc1 ZINC000161353777 384483672 /nfs/dbraw/zinc/48/36/72/384483672.db2.gz ZXNPLNHESKPYBU-NSHDSACASA-N 0 0 241.331 2.756 20 70 BFIDRN CC1(C(=O)NCCCOC2CCCCC2)CC1 ZINC000159502698 384590654 /nfs/dbraw/zinc/59/06/54/384590654.db2.gz JRMUDULSUZJGIU-UHFFFAOYSA-N 0 0 239.359 2.642 20 70 BFIDRN Cc1cccc(-c2cncc(C(=O)N(C)C)c2)c1 ZINC000160176267 384649608 /nfs/dbraw/zinc/64/96/08/384649608.db2.gz XOTIEBIJKIIVNV-UHFFFAOYSA-N 0 0 240.306 2.759 20 70 BFIDRN COc1ccc(OCc2nccs2)cc1F ZINC000161289485 384963157 /nfs/dbraw/zinc/96/31/57/384963157.db2.gz PIPQLSDIAASHPC-UHFFFAOYSA-N 0 0 239.271 2.870 20 70 BFIDRN CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCCO1 ZINC000161431846 385040425 /nfs/dbraw/zinc/04/04/25/385040425.db2.gz NUSDFTMUFPLNRQ-UPJWGTAASA-N 0 0 239.359 2.641 20 70 BFIDRN CC[C@H](NC(=O)CC1CC1)c1c(C)noc1C ZINC000160330600 387082879 /nfs/dbraw/zinc/08/28/79/387082879.db2.gz NCTBXIWYBXCFLO-NSHDSACASA-N 0 0 236.315 2.659 20 70 BFIDRN CCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1CC ZINC000161247635 387168319 /nfs/dbraw/zinc/16/83/19/387168319.db2.gz JBLZJZKMSJUZKG-AGIUHOORSA-N 0 0 241.375 2.839 20 70 BFIDRN CC(C)(C)c1ncc(NC(=O)[C@@H]2CC2(C)C)cn1 ZINC000161306135 387185350 /nfs/dbraw/zinc/18/53/50/387185350.db2.gz XBTGCFKDIXJLSS-JTQLQIEISA-N 0 0 247.342 2.759 20 70 BFIDRN CCCCn1nc(C2CC2)nc1C1CC1 ZINC000161446350 387215288 /nfs/dbraw/zinc/21/52/88/387215288.db2.gz FMROGOJGRSNRSP-UHFFFAOYSA-N 0 0 205.305 2.833 20 70 BFIDRN CCCC[C@@H](CC)CNC(=O)c1cc(C)ncn1 ZINC000161461279 387219199 /nfs/dbraw/zinc/21/91/99/387219199.db2.gz SXOWNLFIPRFVQH-GFCCVEGCSA-N 0 0 249.358 2.731 20 70 BFIDRN CC[C@H](CSC)Nc1ccc(F)cn1 ZINC000217380639 387794991 /nfs/dbraw/zinc/79/49/91/387794991.db2.gz FIXVQJSCZAAKPB-SECBINFHSA-N 0 0 214.309 2.774 20 70 BFIDRN CCOC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000159363319 388009301 /nfs/dbraw/zinc/00/93/01/388009301.db2.gz VLYVAOSUDBUWNY-DTWKUNHWSA-N 0 0 210.298 2.723 20 70 BFIDRN CNC(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000159699107 132444423 /nfs/dbraw/zinc/44/44/23/132444423.db2.gz UAZKTHFLBNLSIP-UHFFFAOYSA-N 0 0 247.342 2.674 20 70 BFIDRN CCc1ncnc(NCC(C)(C)C)c1F ZINC000217987744 134250932 /nfs/dbraw/zinc/25/09/32/134250932.db2.gz HHNBIIMVNLKGBX-UHFFFAOYSA-N 0 0 211.284 2.636 20 70 BFIDRN CCCCNC(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000218001624 134251383 /nfs/dbraw/zinc/25/13/83/134251383.db2.gz GNJFFEYPEGAKKL-NWDGAFQWSA-N 0 0 226.364 2.912 20 70 BFIDRN CC1(C)C[C@@H]1C(=O)Nc1c(F)cccc1F ZINC000160076576 397766163 /nfs/dbraw/zinc/76/61/63/397766163.db2.gz KMODHNVQIJCWPP-SSDOTTSWSA-N 0 0 225.238 2.949 20 70 BFIDRN CCC[C@H](C)CC(=O)NCCCC(C)(C)CO ZINC000160345650 397905577 /nfs/dbraw/zinc/90/55/77/397905577.db2.gz WVKUIJBVGSCMDM-LBPRGKRZSA-N 0 0 243.391 2.728 20 70 BFIDRN CC1(C(=O)N2CCc3c(F)cccc3C2)CCC1 ZINC000161038490 167866700 /nfs/dbraw/zinc/86/67/00/167866700.db2.gz RWUHSLAJFNMTQX-UHFFFAOYSA-N 0 0 247.313 2.901 20 70 BFIDRN Cc1ccc(C(=O)N2CC=C(C)CC2)c(F)c1 ZINC000160165020 168108113 /nfs/dbraw/zinc/10/81/13/168108113.db2.gz ZGNNGYOWBLUNNV-UHFFFAOYSA-N 0 0 233.286 2.926 20 70 BFIDRN CC1=CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000160194005 168108207 /nfs/dbraw/zinc/10/82/07/168108207.db2.gz JYMSARYWANMHEN-UHFFFAOYSA-N 0 0 240.306 2.960 20 70 BFIDRN CC1=CCN(C(=O)c2cccnc2Cl)CC1 ZINC000160194921 168109003 /nfs/dbraw/zinc/10/90/03/168109003.db2.gz MLBSMPFQRMFLDI-UHFFFAOYSA-N 0 0 236.702 2.527 20 70 BFIDRN CCC(=O)Nc1cc(F)ccc1OC(F)F ZINC000159499174 168243036 /nfs/dbraw/zinc/24/30/36/168243036.db2.gz KSCBTIMKRAZRDW-UHFFFAOYSA-N 0 0 233.189 2.776 20 70 BFIDRN C[C@H]1CC[C@H](C)N1C(=O)NC1CCCC1 ZINC000161433738 411509474 /nfs/dbraw/zinc/50/94/74/411509474.db2.gz VIFLOABXBJABTR-UWVGGRQHSA-N 0 0 210.321 2.511 20 70 BFIDRN CC[C@H](NC(=O)NC1(C)CCC1)c1ccncc1 ZINC000161485538 171501671 /nfs/dbraw/zinc/50/16/71/171501671.db2.gz DHRPHISIYCFZPO-LBPRGKRZSA-N 0 0 247.342 2.775 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000159756435 171624943 /nfs/dbraw/zinc/62/49/43/171624943.db2.gz HAKHNUYUPMPVJH-ONGXEEELSA-N 0 0 236.290 2.529 20 70 BFIDRN CCc1ncnc(N[C@H](C)c2cccnc2)c1F ZINC000217959702 172033147 /nfs/dbraw/zinc/03/31/47/172033147.db2.gz FTDCPOOOJDUUDZ-SECBINFHSA-N 0 0 246.289 2.746 20 70 BFIDRN CCc1ncnc(N[C@@H]2CC=CCC2)c1F ZINC000218025480 172033608 /nfs/dbraw/zinc/03/36/08/172033608.db2.gz BRLNHETXBXTTLR-SECBINFHSA-N 0 0 221.279 2.699 20 70 BFIDRN COC(CN(C)c1cccc2ccccc21)OC ZINC000160676529 173957161 /nfs/dbraw/zinc/95/71/61/173957161.db2.gz JWOYBVTXZUBJSC-UHFFFAOYSA-N 0 0 245.322 2.895 20 70 BFIDRN COCCC1(C(=O)Nc2ccccc2O)CCC1 ZINC000160954778 174151103 /nfs/dbraw/zinc/15/11/03/174151103.db2.gz IVLVWVKSRNDDPR-UHFFFAOYSA-N 0 0 249.310 2.538 20 70 BFIDRN COc1ccc(NCC2=CCCOC2)c(C)c1 ZINC000159500799 175150265 /nfs/dbraw/zinc/15/02/65/175150265.db2.gz JEWPTNYINFYEOP-UHFFFAOYSA-N 0 0 233.311 2.762 20 70 BFIDRN C[C@@H]1CC(Nc2cccc(F)n2)C[C@@H](C)O1 ZINC000161057788 176055095 /nfs/dbraw/zinc/05/50/95/176055095.db2.gz XRVKEJBOGXWBOB-RKDXNWHRSA-N 0 0 224.279 2.589 20 70 BFIDRN CCOc1ccccc1N(C)CCOC(C)C ZINC000159363103 322965614 /nfs/dbraw/zinc/96/56/14/322965614.db2.gz HGTVCBMUHZPMRD-UHFFFAOYSA-N 0 0 237.343 2.947 20 70 BFIDRN CC1(C)CCC(CC(=O)NCC(F)F)CC1 ZINC000159420435 322967667 /nfs/dbraw/zinc/96/76/67/322967667.db2.gz CQICKMJHXPYKRG-UHFFFAOYSA-N 0 0 233.302 2.974 20 70 BFIDRN COc1cccnc1NCc1cccs1 ZINC000159445261 322969030 /nfs/dbraw/zinc/96/90/30/322969030.db2.gz MWYNLRKAAVYDGU-UHFFFAOYSA-N 0 0 220.297 2.764 20 70 BFIDRN COc1cccnc1N[C@H](C)CC(C)C ZINC000159467758 322969911 /nfs/dbraw/zinc/96/99/11/322969911.db2.gz MGLWTZNDZNYVHD-SNVBAGLBSA-N 0 0 208.305 2.937 20 70 BFIDRN CS[C@H](C)CNC(=O)N[C@@H]1CCCC1(C)C ZINC000159469267 322969992 /nfs/dbraw/zinc/96/99/92/322969992.db2.gz VQBVWMISPOKWJB-NXEZZACHSA-N 0 0 244.404 2.616 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000159533835 323035823 /nfs/dbraw/zinc/03/58/23/323035823.db2.gz MQCSTXILCHSEEH-ZFWWWQNUSA-N 0 0 247.338 2.618 20 70 BFIDRN CC(C)CCNC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000159657099 323042621 /nfs/dbraw/zinc/04/26/21/323042621.db2.gz JAFIBJKEASBCTD-RYUDHWBXSA-N 0 0 226.364 2.720 20 70 BFIDRN CCN(CC)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000159665312 323043376 /nfs/dbraw/zinc/04/33/76/323043376.db2.gz LGOSDWKLVGEXSB-VXGBXAGGSA-N 0 0 226.364 2.816 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C)ccn1 ZINC000159874889 323051489 /nfs/dbraw/zinc/05/14/89/323051489.db2.gz XTDZZCJUODNGCJ-MFKMUULPSA-N 0 0 218.300 2.765 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ncccc1C ZINC000159876739 323051584 /nfs/dbraw/zinc/05/15/84/323051584.db2.gz ICCNCSHMHYSPNE-MFKMUULPSA-N 0 0 218.300 2.765 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1ncccc1C ZINC000159876877 323051600 /nfs/dbraw/zinc/05/16/00/323051600.db2.gz ICCNCSHMHYSPNE-GXFFZTMASA-N 0 0 218.300 2.765 20 70 BFIDRN CC[C@@H](NC(=O)C1CCC1)c1c(C)noc1C ZINC000159943745 323054771 /nfs/dbraw/zinc/05/47/71/323054771.db2.gz JMBNAOWYELIVND-LLVKDONJSA-N 0 0 236.315 2.659 20 70 BFIDRN COc1ccc(N(C)C(=O)C(C)C)cc1Cl ZINC000159981318 323056542 /nfs/dbraw/zinc/05/65/42/323056542.db2.gz XQSVLOKZWMQRLO-UHFFFAOYSA-N 0 0 241.718 2.967 20 70 BFIDRN CC1(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000159998443 323057187 /nfs/dbraw/zinc/05/71/87/323057187.db2.gz GUNMJACJPLWXCV-QWHCGFSZSA-N 0 0 244.338 2.784 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccnn1CC(C)C ZINC000159993184 323057204 /nfs/dbraw/zinc/05/72/04/323057204.db2.gz IXBDGVJMEWTQHH-BXUZGUMPSA-N 0 0 249.358 2.914 20 70 BFIDRN CC(C)(C)OC(=O)NCC1(C2CC2)CC1 ZINC000160129505 323060955 /nfs/dbraw/zinc/06/09/55/323060955.db2.gz QOWZVJTZCIUFHE-UHFFFAOYSA-N 0 0 211.305 2.701 20 70 BFIDRN Cc1nc(NC(=O)c2ccoc2)cc(C2CC2)n1 ZINC000160239980 323064399 /nfs/dbraw/zinc/06/43/99/323064399.db2.gz OSRVFMQKEFPHDW-UHFFFAOYSA-N 0 0 243.266 2.508 20 70 BFIDRN CCCC1(CNC(=O)NC[C@@H](C)SC)CC1 ZINC000160337273 323065055 /nfs/dbraw/zinc/06/50/55/323065055.db2.gz UJWNKWITWAGJMA-SNVBAGLBSA-N 0 0 244.404 2.617 20 70 BFIDRN Cc1ccsc1C(=O)N(C)Cc1cccn1C ZINC000160424944 323066242 /nfs/dbraw/zinc/06/62/42/323066242.db2.gz MKXCMKJGXAPDJJ-UHFFFAOYSA-N 0 0 248.351 2.667 20 70 BFIDRN CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N(C)C(C)C ZINC000160550422 323070757 /nfs/dbraw/zinc/07/07/57/323070757.db2.gz VYNADIKSXPULDU-STQMWFEESA-N 0 0 242.407 2.610 20 70 BFIDRN COc1ccsc1C(=O)N1[C@H](C)CC[C@@H]1C ZINC000161494985 323076093 /nfs/dbraw/zinc/07/60/93/323076093.db2.gz NYTBPICUVVHRGL-DTORHVGOSA-N 0 0 239.340 2.770 20 70 BFIDRN Cc1ccc(/C=C/C(=O)Nc2cccc(F)n2)o1 ZINC000160709990 323103819 /nfs/dbraw/zinc/10/38/19/323103819.db2.gz HSVQONOTYPEGKL-BQYQJAHWSA-N 0 0 246.241 2.774 20 70 BFIDRN Cn1ccc(NC(=O)C[C@H]2CCCC(C)(C)C2)n1 ZINC000160763309 323134671 /nfs/dbraw/zinc/13/46/71/323134671.db2.gz HOILINCEVNQOGL-LLVKDONJSA-N 0 0 249.358 2.965 20 70 BFIDRN CC[C@H](C)OCC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000161014672 323143215 /nfs/dbraw/zinc/14/32/15/323143215.db2.gz NBHVZMWKMSPLDY-RYUDHWBXSA-N 0 0 241.375 2.837 20 70 BFIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cnccn1 ZINC000161147827 323149379 /nfs/dbraw/zinc/14/93/79/323149379.db2.gz NBNVYIJJXIFFOF-WCQYABFASA-N 0 0 247.342 2.517 20 70 BFIDRN Cn1nccc1CSc1ccccc1F ZINC000161180486 323150309 /nfs/dbraw/zinc/15/03/09/323150309.db2.gz CAJHQFNUQCPCEW-UHFFFAOYSA-N 0 0 222.288 2.852 20 70 BFIDRN C[C@@H]1CC[C@H](C)N1C(=O)C1CCCCC1 ZINC000161401631 323511909 /nfs/dbraw/zinc/51/19/09/323511909.db2.gz KRCPTHVSJQAEDJ-PHIMTYICSA-N 0 0 209.333 2.966 20 70 BFIDRN CCO[C@@H](C)c1nccn1C[C@H]1CCCCO1 ZINC000161473111 323524015 /nfs/dbraw/zinc/52/40/15/323524015.db2.gz IMJXILHAAOJEGZ-NWDGAFQWSA-N 0 0 238.331 2.550 20 70 BFIDRN COCC(C)(C)C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000161463652 323525744 /nfs/dbraw/zinc/52/57/44/323525744.db2.gz OBAXFGKDSZADQS-RYUDHWBXSA-N 0 0 241.375 2.554 20 70 BFIDRN CC(C)n1cccc1C(=O)N1CCC[C@H](C)C1 ZINC000160961243 487599405 /nfs/dbraw/zinc/59/94/05/487599405.db2.gz ALCGYJXCIKQNKM-LBPRGKRZSA-N 0 0 234.343 2.941 20 70 BFIDRN CNc1ccccc1C(=O)OCCC1CC1 ZINC000217706770 583172617 /nfs/dbraw/zinc/17/26/17/583172617.db2.gz BQVMKHJRCRBIIO-UHFFFAOYSA-N 0 0 219.284 2.685 20 70 BFIDRN CCC(C)(C)C(=O)OC[C@@H]1CCC[C@H](O)C1 ZINC000217796454 592149026 /nfs/dbraw/zinc/14/90/26/592149026.db2.gz CXERZLKKEUPKNT-MNOVXSKESA-N 0 0 228.332 2.517 20 70 BFIDRN O=C(OCCC1CC1)c1cc(F)cnc1Cl ZINC000218158458 592152263 /nfs/dbraw/zinc/15/22/63/592152263.db2.gz FBDBYJPYURETBS-UHFFFAOYSA-N 0 0 243.665 2.831 20 70 BFIDRN Cc1ccc(NC(=O)N2CC[C@H](C)[C@H]2C)cn1 ZINC000161430627 538915557 /nfs/dbraw/zinc/91/55/57/538915557.db2.gz ZXFRKICBEYPCGQ-GXSJLCMTSA-N 0 0 233.315 2.652 20 70 BFIDRN Cc1ccc(NC(=O)N(C)CCC(C)C)cn1 ZINC000161491605 538915666 /nfs/dbraw/zinc/91/56/66/538915666.db2.gz IFEYWYFIMQZLMV-UHFFFAOYSA-N 0 0 235.331 2.900 20 70 BFIDRN C[C@H](CC(=O)N1CCC(C)(C)C1)c1ccncc1 ZINC000160814588 538912867 /nfs/dbraw/zinc/91/28/67/538912867.db2.gz SQMCLFFUSDHVEG-GFCCVEGCSA-N 0 0 246.354 2.834 20 70 BFIDRN C[C@@H](CO)CSc1cccc(F)c1 ZINC000160835195 538912987 /nfs/dbraw/zinc/91/29/87/538912987.db2.gz NRBVPCHWEKAYTF-QMMMGPOBSA-N 0 0 200.278 2.546 20 70 BFIDRN CC(C)(C(=O)NC1CC=CC1)c1ccccc1 ZINC000161038693 538913601 /nfs/dbraw/zinc/91/36/01/538913601.db2.gz XMBMPMVPJLVBCC-UHFFFAOYSA-N 0 0 229.323 2.799 20 70 BFIDRN O=C(NC1CC=CC1)C1(c2ccc(F)cc2)CC1 ZINC000161030837 538913857 /nfs/dbraw/zinc/91/38/57/538913857.db2.gz XSXWJRLGYZQJOM-UHFFFAOYSA-N 0 0 245.297 2.692 20 70 BFIDRN CCc1nn(C)cc1CNc1ccc(C)nc1C ZINC000161119108 538914240 /nfs/dbraw/zinc/91/42/40/538914240.db2.gz KTDMMCCXRARGMI-UHFFFAOYSA-N 0 0 244.342 2.606 20 70 BFIDRN CCCCO[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000159589610 136214506 /nfs/dbraw/zinc/21/45/06/136214506.db2.gz IPHRWSWJBWEBTP-RWMBFGLXSA-N 0 0 241.375 2.887 20 70 BFIDRN CN(Cc1cccn1C)C(=O)CCC1CCC1 ZINC000160738144 133509851 /nfs/dbraw/zinc/50/98/51/133509851.db2.gz WMNMGPRMVSUIBC-UHFFFAOYSA-N 0 0 234.343 2.564 20 70 BFIDRN CCCCn1ncc(NC(=O)NCCC)c1C ZINC000159910485 345634049 /nfs/dbraw/zinc/63/40/49/345634049.db2.gz GLKIOSDHMFJXDB-UHFFFAOYSA-N 0 0 238.335 2.523 20 70 BFIDRN CCCC(=O)N(C)c1ccc(OC)c(F)c1 ZINC000159465514 168534688 /nfs/dbraw/zinc/53/46/88/168534688.db2.gz GAKHHOQMSOCAAB-UHFFFAOYSA-N 0 0 225.263 2.597 20 70 BFIDRN CCOCCCN(C)c1ccccc1F ZINC000160020772 345785904 /nfs/dbraw/zinc/78/59/04/345785904.db2.gz FIAOFAJZDMETFF-UHFFFAOYSA-N 0 0 211.280 2.689 20 70 BFIDRN Cc1ccc(CNc2cc(C(N)=O)ccc2C)o1 ZINC000160016048 345786760 /nfs/dbraw/zinc/78/67/60/345786760.db2.gz XTXDTCZHWGKEHB-UHFFFAOYSA-N 0 0 244.294 2.607 20 70 BFIDRN CCc1nc(NC(=O)[C@H]2CC2(C)C)sc1C ZINC000159609521 346215743 /nfs/dbraw/zinc/21/57/43/346215743.db2.gz IQTBVLONCQPNLU-MRVPVSSYSA-N 0 0 238.356 2.999 20 70 BFIDRN CC(=O)c1ccc(N2C[C@@H](C)C[C@H]2C)nc1 ZINC000161418937 346185919 /nfs/dbraw/zinc/18/59/19/346185919.db2.gz AFZVTGIWDPKMNL-VHSXEESVSA-N 0 0 218.300 2.519 20 70 BFIDRN Cc1cccc(C(=O)N(C)C(C)C)c1F ZINC000161431207 179003967 /nfs/dbraw/zinc/00/39/67/179003967.db2.gz APMCRKBVRWNRPR-UHFFFAOYSA-N 0 0 209.264 2.615 20 70 BFIDRN Cc1cc(C)cc(CS[C@H](C)CO)c1 ZINC000160758827 187318092 /nfs/dbraw/zinc/31/80/92/187318092.db2.gz ZUAKRNNFTKRGOT-LLVKDONJSA-N 0 0 210.342 2.917 20 70 BFIDRN Cc1cccc(C(=O)N[C@@H]2CC2(C)C)c1F ZINC000161487876 179021372 /nfs/dbraw/zinc/02/13/72/179021372.db2.gz DPRHSLBCURNEOR-SNVBAGLBSA-N 0 0 221.275 2.662 20 70 BFIDRN CC[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@@H](C)O1 ZINC000159775409 346430395 /nfs/dbraw/zinc/43/03/95/346430395.db2.gz DOXHTUFJDZJMMZ-VXGBXAGGSA-N 0 0 241.375 2.839 20 70 BFIDRN CC[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H](C)O1 ZINC000159775152 346430548 /nfs/dbraw/zinc/43/05/48/346430548.db2.gz DOXHTUFJDZJMMZ-NWDGAFQWSA-N 0 0 241.375 2.839 20 70 BFIDRN CO[C@H](C)[C@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000161230509 362800939 /nfs/dbraw/zinc/80/09/39/362800939.db2.gz UBUOVOIDYCTRNH-WDEREUQCSA-N 0 0 245.326 2.912 20 70 BFIDRN CCCC1(CNC(=O)c2ccnc(F)c2)CC1 ZINC000160639493 168599571 /nfs/dbraw/zinc/59/95/71/168599571.db2.gz XUEVPPCVHSAYSZ-UHFFFAOYSA-N 0 0 236.290 2.531 20 70 BFIDRN CC1CCN(C(=O)N2CCC[C@@H](C)CC2)CC1 ZINC000160575227 349248560 /nfs/dbraw/zinc/24/85/60/349248560.db2.gz YINHPVCTTXVUKY-GFCCVEGCSA-N 0 0 238.375 2.960 20 70 BFIDRN Cn1c2ccccc2nc1NCc1ccoc1 ZINC000161082722 349368888 /nfs/dbraw/zinc/36/88/88/349368888.db2.gz JAUOQTNODZIECD-UHFFFAOYSA-N 0 0 227.267 2.778 20 70 BFIDRN FC(F)(F)c1ccc(N2CCC2)nc1Cl ZINC000217811084 350073782 /nfs/dbraw/zinc/07/37/82/350073782.db2.gz UFOJOVABHFECHF-UHFFFAOYSA-N 0 0 236.624 2.964 20 70 BFIDRN CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000217679090 350068579 /nfs/dbraw/zinc/06/85/79/350068579.db2.gz ODBHUFHGOFVDOE-VHSXEESVSA-N 0 0 226.222 2.631 20 70 BFIDRN CN(Cc1ccc(Cl)cc1)Cc1cncnc1 ZINC000160805208 538062250 /nfs/dbraw/zinc/06/22/50/538062250.db2.gz LXTHSOPOQXULEJ-UHFFFAOYSA-N 0 0 247.729 2.762 20 70 BFIDRN Cc1ncsc1CCn1cnc2c1CCCC2 ZINC000160727733 180310679 /nfs/dbraw/zinc/31/06/79/180310679.db2.gz MDUULRIPUGAYGI-UHFFFAOYSA-N 0 0 247.367 2.770 20 70 BFIDRN CC(C)c1nccc(N2[C@H](C)CC[C@@H]2C)n1 ZINC000161454741 323520209 /nfs/dbraw/zinc/52/02/09/323520209.db2.gz MRBLGDSMAFYNSZ-PHIMTYICSA-N 0 0 219.332 2.977 20 70 BFIDRN Fc1cccc(N[C@@H]2CCO[C@H](C3CC3)C2)n1 ZINC000160327210 181001825 /nfs/dbraw/zinc/00/18/25/181001825.db2.gz SEJYRISAXJMYRM-MNOVXSKESA-N 0 0 236.290 2.590 20 70 BFIDRN CS[C@@H](C)CC(=O)NC[C@H]1Cc2ccccc21 ZINC000160290525 355851733 /nfs/dbraw/zinc/85/17/33/355851733.db2.gz JQICHLXJEWKYOW-CMPLNLGQSA-N 0 0 249.379 2.584 20 70 BFIDRN CC[C@@H](NC(=O)C(C)(CC)CC)[C@@H]1CCCO1 ZINC000159508827 538878102 /nfs/dbraw/zinc/87/81/02/538878102.db2.gz XVVYYSDIPLPLJA-NEPJUHHUSA-N 0 0 241.375 2.887 20 70 BFIDRN C[C@@H](NC(=O)c1ccncc1Cl)C1CCC1 ZINC000160203743 538884120 /nfs/dbraw/zinc/88/41/20/538884120.db2.gz FOIMJKCTQKAYHI-MRVPVSSYSA-N 0 0 238.718 2.653 20 70 BFIDRN C[C@H](SC[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000217792038 134250176 /nfs/dbraw/zinc/25/01/76/134250176.db2.gz JBYMPTGKNVFCJV-UWVGGRQHSA-N 0 0 246.372 2.629 20 70 BFIDRN CCc1nc(C(=O)Nc2cccc(C)c2O)co1 ZINC000159430717 541494313 /nfs/dbraw/zinc/49/43/13/541494313.db2.gz YZMKGKWULSQXTD-UHFFFAOYSA-N 0 0 246.266 2.503 20 70 BFIDRN O=C(Cc1cccc(F)c1)NCC1(C2CC2)CC1 ZINC000159767406 182041298 /nfs/dbraw/zinc/04/12/98/182041298.db2.gz ZASYQCIDZDALCJ-UHFFFAOYSA-N 0 0 247.313 2.675 20 70 BFIDRN O=C(Cc1cccs1)NCC1(C2CC2)CC1 ZINC000159942263 182051437 /nfs/dbraw/zinc/05/14/37/182051437.db2.gz QIEWMANXWFEUJG-UHFFFAOYSA-N 0 0 235.352 2.597 20 70 BFIDRN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCCO1 ZINC000159709815 182364221 /nfs/dbraw/zinc/36/42/21/182364221.db2.gz MSEVQBIAFFXHFB-CQSZACIVSA-N 0 0 245.322 2.683 20 70 BFIDRN CCCN(Cc1csnn1)Cc1ccccc1 ZINC000160480349 169178148 /nfs/dbraw/zinc/17/81/48/169178148.db2.gz DIZJFZFOXBFNPN-UHFFFAOYSA-N 0 0 247.367 2.950 20 70 BFIDRN CCN(C(=O)[C@H]1CCCCO1)c1ccccc1C ZINC000160761575 169653317 /nfs/dbraw/zinc/65/33/17/169653317.db2.gz DTJRSICJYYZLIF-CQSZACIVSA-N 0 0 247.338 2.917 20 70 BFIDRN COc1cccnc1NCc1ccsc1 ZINC000159446487 384189751 /nfs/dbraw/zinc/18/97/51/384189751.db2.gz BHBRCBCFVRHBBV-UHFFFAOYSA-N 0 0 220.297 2.764 20 70 BFIDRN COc1cccnc1N[C@H]1CCC[C@@H]1C ZINC000159469738 384226179 /nfs/dbraw/zinc/22/61/79/384226179.db2.gz OGMJQGCTKTUXQH-UWVGGRQHSA-N 0 0 206.289 2.691 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)CCc1ccccn1 ZINC000159592682 384342244 /nfs/dbraw/zinc/34/22/44/384342244.db2.gz WEULBBZCJADUKA-JSGCOSHPSA-N 0 0 246.354 2.709 20 70 BFIDRN Cc1ccc(C(=O)NCC2(C3CC3)CC2)cc1 ZINC000159705579 384351462 /nfs/dbraw/zinc/35/14/62/384351462.db2.gz UKOIYNAOHOBVCT-UHFFFAOYSA-N 0 0 229.323 2.915 20 70 BFIDRN CCCCCNC(=O)c1ccnc(Cl)c1F ZINC000160645633 384426443 /nfs/dbraw/zinc/42/64/43/384426443.db2.gz IETDZJCBAYJFCB-UHFFFAOYSA-N 0 0 244.697 2.794 20 70 BFIDRN CC(C)c1nnc(NC(=O)[C@@H]2CC2(C)C)s1 ZINC000160363615 384404798 /nfs/dbraw/zinc/40/47/98/384404798.db2.gz PSEOIUMUVIDAMJ-ZETCQYMHSA-N 0 0 239.344 2.646 20 70 BFIDRN CSC[C@@H](C)Nc1nc2ccccc2n1C ZINC000160551957 384420362 /nfs/dbraw/zinc/42/03/62/384420362.db2.gz LPNUJAAAXKSQOL-SECBINFHSA-N 0 0 235.356 2.737 20 70 BFIDRN CNc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000160060664 384381345 /nfs/dbraw/zinc/38/13/45/384381345.db2.gz IIGGEJRNCCILMK-TXEJJXNPSA-N 0 0 244.338 2.600 20 70 BFIDRN CCCCCCC(=O)NOCc1cccnc1 ZINC000160810404 384436542 /nfs/dbraw/zinc/43/65/42/384436542.db2.gz WRTMEXJOPHMDIU-UHFFFAOYSA-N 0 0 236.315 2.600 20 70 BFIDRN CC(C)c1cc(=O)n(CC2CCCC2)cn1 ZINC000160784447 384436746 /nfs/dbraw/zinc/43/67/46/384436746.db2.gz PQGDLLOITQRSPA-UHFFFAOYSA-N 0 0 220.316 2.557 20 70 BFIDRN CCc1ccccc1C(=O)N[C@@H](C)C1CC1 ZINC000160780000 384437567 /nfs/dbraw/zinc/43/75/67/384437567.db2.gz AMKRAHMTQULDDW-JTQLQIEISA-N 0 0 217.312 2.777 20 70 BFIDRN CC(C)c1cc(=O)n(CCC2CCCC2)cn1 ZINC000160807786 384437812 /nfs/dbraw/zinc/43/78/12/384437812.db2.gz KLDAXTUQPIHELR-UHFFFAOYSA-N 0 0 234.343 2.947 20 70 BFIDRN Cc1noc([C@@H](C)c2c(F)cccc2F)n1 ZINC000160866336 384442070 /nfs/dbraw/zinc/44/20/70/384442070.db2.gz PONDJIWNIHHCOT-LURJTMIESA-N 0 0 224.210 2.808 20 70 BFIDRN Cn1c2ccccc2nc1N[C@H]1CCCSC1 ZINC000161089095 384461533 /nfs/dbraw/zinc/46/15/33/384461533.db2.gz KZKMSXXMYBQLTA-JTQLQIEISA-N 0 0 247.367 2.881 20 70 BFIDRN CCN(C)C(=O)CCCc1sccc1C ZINC000161165849 384469842 /nfs/dbraw/zinc/46/98/42/384469842.db2.gz RXFRGOCVESISGL-UHFFFAOYSA-N 0 0 225.357 2.858 20 70 BFIDRN CC[C@H](SC)c1nc(-c2ccccn2)no1 ZINC000161248939 384476441 /nfs/dbraw/zinc/47/64/41/384476441.db2.gz GOLSURUOGQTHEE-VIFPVBQESA-N 0 0 235.312 2.946 20 70 BFIDRN CCCC(=O)N[C@@H](CC)c1c(C)noc1C ZINC000159942767 384553827 /nfs/dbraw/zinc/55/38/27/384553827.db2.gz GBKTVBOWVILNOH-JTQLQIEISA-N 0 0 224.304 2.659 20 70 BFIDRN CC(=O)Nc1ccc(OCc2nccs2)cc1 ZINC000161134476 384830875 /nfs/dbraw/zinc/83/08/75/384830875.db2.gz MDIHIRLVOVKSMA-UHFFFAOYSA-N 0 0 248.307 2.681 20 70 BFIDRN Cc1cccc(F)c1NCc1ncccn1 ZINC000160312260 385319020 /nfs/dbraw/zinc/31/90/20/385319020.db2.gz KVWOOEDBOPXKEY-UHFFFAOYSA-N 0 0 217.247 2.536 20 70 BFIDRN CCC[C@H](C)CC(=O)N(C)Cc1cccn1C ZINC000160390710 385585132 /nfs/dbraw/zinc/58/51/32/385585132.db2.gz ZKKNMPARWZOWHG-LBPRGKRZSA-N 0 0 236.359 2.810 20 70 BFIDRN CN(Cc1ccccn1)C(=O)N1CCCCCC1 ZINC000160363134 386181047 /nfs/dbraw/zinc/18/10/47/386181047.db2.gz GQINSEFFVJBGOG-UHFFFAOYSA-N 0 0 247.342 2.509 20 70 BFIDRN CC(C)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160374022 387017701 /nfs/dbraw/zinc/01/77/01/387017701.db2.gz HFVMJEHASKZIDT-LBPRGKRZSA-N 0 0 239.359 2.641 20 70 BFIDRN Cc1cc(C(=O)N2CCCC2)cc(C)c1F ZINC000160603480 387110948 /nfs/dbraw/zinc/11/09/48/387110948.db2.gz ADIASHLCDQKDIK-UHFFFAOYSA-N 0 0 221.275 2.679 20 70 BFIDRN CC(C)c1nccc(N[C@@H]2CCOC(C)(C)C2)n1 ZINC000160659080 387111614 /nfs/dbraw/zinc/11/16/14/387111614.db2.gz PNRRCUOLTCYVEG-LLVKDONJSA-N 0 0 249.358 2.970 20 70 BFIDRN CC[C@@H](NC(=O)C1CC=CC1)c1c(C)noc1C ZINC000160661898 387113202 /nfs/dbraw/zinc/11/32/02/387113202.db2.gz QVOQQIAZWGCIEY-GFCCVEGCSA-N 0 0 248.326 2.825 20 70 BFIDRN CC[C@@H](CC(=O)N[C@H](CO)CC(C)C)C(C)C ZINC000161203232 387149196 /nfs/dbraw/zinc/14/91/96/387149196.db2.gz ZCIZXOXDSOHBAE-STQMWFEESA-N 0 0 243.391 2.582 20 70 BFIDRN C[C@H](NCCC(F)(F)F)c1cscn1 ZINC000161220491 387152102 /nfs/dbraw/zinc/15/21/02/387152102.db2.gz ZFPNIMLZIZHSAK-LURJTMIESA-N 0 0 224.251 2.746 20 70 BFIDRN COc1cccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000161457893 387219204 /nfs/dbraw/zinc/21/92/04/387219204.db2.gz DGOKXBGUAPJFCP-QWRGUYRKSA-N 0 0 233.311 2.708 20 70 BFIDRN Cc1cc(C)cc(NC(=O)N[C@]2(C)CCOC2)c1 ZINC000159399404 177906972 /nfs/dbraw/zinc/90/69/72/177906972.db2.gz MVUUSGCNOZQUTF-CQSZACIVSA-N 0 0 248.326 2.604 20 70 BFIDRN CCCC1(CNC(=O)NC(C)(C)C)CC1 ZINC000160234399 388054901 /nfs/dbraw/zinc/05/49/01/388054901.db2.gz OAGITALDNGYWCX-UHFFFAOYSA-N 0 0 212.337 2.664 20 70 BFIDRN CCN(Cc1cccs1)Cc1nccn1CC ZINC000160705496 388085265 /nfs/dbraw/zinc/08/52/65/388085265.db2.gz PDXNNCPSVXKBFV-UHFFFAOYSA-N 0 0 249.383 2.987 20 70 BFIDRN C[C@H]1CCCCN1C(=O)NCC1CCCC1 ZINC000217569379 388570790 /nfs/dbraw/zinc/57/07/90/388570790.db2.gz UAZJAZSQLQXWBA-NSHDSACASA-N 0 0 224.348 2.761 20 70 BFIDRN C[C@H]1CCC[C@H](CNc2cnccn2)C1 ZINC000217920765 134250964 /nfs/dbraw/zinc/25/09/64/134250964.db2.gz OFJOZDFYSZYEJW-QWRGUYRKSA-N 0 0 205.305 2.715 20 70 BFIDRN CCc1ncnc(NC(C)(C)CC)c1F ZINC000217961750 134251200 /nfs/dbraw/zinc/25/12/00/134251200.db2.gz DCNMACLFUNUFBO-UHFFFAOYSA-N 0 0 211.284 2.779 20 70 BFIDRN CC(=O)CN(Cc1ccco1)Cc1ccccc1 ZINC000217862361 410083911 /nfs/dbraw/zinc/08/39/11/410083911.db2.gz WEGCMKDPKLCSBF-UHFFFAOYSA-N 0 0 243.306 2.871 20 70 BFIDRN Cc1cc(F)ccc1C(=O)N1CC=C(C)CC1 ZINC000160166247 168108059 /nfs/dbraw/zinc/10/80/59/168108059.db2.gz QKMMNIWUCUPMKC-UHFFFAOYSA-N 0 0 233.286 2.926 20 70 BFIDRN CCNC(=O)N(CC)[C@H](CC)c1ccncc1 ZINC000160827645 170072356 /nfs/dbraw/zinc/07/23/56/170072356.db2.gz OGZGFLFSDQTHMY-GFCCVEGCSA-N 0 0 235.331 2.584 20 70 BFIDRN CC[C@@H](C)c1ccc(OCC(=O)N(C)C)cc1 ZINC000217340992 170804542 /nfs/dbraw/zinc/80/45/42/170804542.db2.gz PDNZISQYHFIRNH-LLVKDONJSA-N 0 0 235.327 2.667 20 70 BFIDRN CC[C@@H](NC(=O)NC1(C)CCC1)c1ccncc1 ZINC000161485649 170879388 /nfs/dbraw/zinc/87/93/88/170879388.db2.gz DHRPHISIYCFZPO-GFCCVEGCSA-N 0 0 247.342 2.775 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(C)nc1 ZINC000159663994 170997894 /nfs/dbraw/zinc/99/78/94/170997894.db2.gz FXSXACQSDZHKPP-ZIAGYGMSSA-N 0 0 246.354 2.627 20 70 BFIDRN CCc1ccc([C@H]2CCCCCN2C(N)=O)o1 ZINC000160804697 171844401 /nfs/dbraw/zinc/84/44/01/171844401.db2.gz KGOLJTOURYODMP-LLVKDONJSA-N 0 0 236.315 2.838 20 70 BFIDRN CCn1cc(CNc2ccc(F)c(OC)c2)cn1 ZINC000160274203 172175821 /nfs/dbraw/zinc/17/58/21/172175821.db2.gz SKPYULYCUFQSBZ-UHFFFAOYSA-N 0 0 249.289 2.663 20 70 BFIDRN CCn1nccc1CN(C)Cc1cccc(F)c1 ZINC000160463806 172263932 /nfs/dbraw/zinc/26/39/32/172263932.db2.gz UOSVAAMEYOYGBS-UHFFFAOYSA-N 0 0 247.317 2.674 20 70 BFIDRN CN(C(=O)CC1CCC1)c1ccc2c(c1)OCO2 ZINC000160617596 172302285 /nfs/dbraw/zinc/30/22/85/172302285.db2.gz JZXIBXGWBSZUAC-UHFFFAOYSA-N 0 0 247.294 2.568 20 70 BFIDRN COC(=O)C[C@@H](C)S[C@H]1C=CCCC1 ZINC000161243843 173623346 /nfs/dbraw/zinc/62/33/46/173623346.db2.gz ULLKVNUGRXERFM-ZJUUUORDSA-N 0 0 214.330 2.780 20 70 BFIDRN COc1cc(N[C@@H]2CCCOCC2)ccc1F ZINC000160037288 175004566 /nfs/dbraw/zinc/00/45/66/175004566.db2.gz QOMNTIWCTMXODG-SNVBAGLBSA-N 0 0 239.290 2.815 20 70 BFIDRN COc1cc(N[C@H]2CCO[C@H](C)C2)ccc1F ZINC000159968171 175004866 /nfs/dbraw/zinc/00/48/66/175004866.db2.gz FXONAUYTQIEIQK-KOLCDFICSA-N 0 0 239.290 2.814 20 70 BFIDRN CS[C@H](C)CC(=O)Nc1ncc(C)s1 ZINC000160253184 175559595 /nfs/dbraw/zinc/55/95/95/175559595.db2.gz GTQGVVXCJGYUKI-ZCFIWIBFSA-N 0 0 230.358 2.532 20 70 BFIDRN C[C@@H](Cc1ccccc1F)NC(=O)[C@@H]1CC1(C)C ZINC000160578979 175773949 /nfs/dbraw/zinc/77/39/49/175773949.db2.gz XQOXVBWXBDKLGS-JQWIXIFHSA-N 0 0 249.329 2.919 20 70 BFIDRN CCC1(CNC(=O)N[C@@H](C)CC(C)C)CC1 ZINC000159449340 322969162 /nfs/dbraw/zinc/96/91/62/322969162.db2.gz VIYUJWYGGBOZMG-NSHDSACASA-N 0 0 226.364 2.910 20 70 BFIDRN COCC[C@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC000159717986 323044484 /nfs/dbraw/zinc/04/44/84/323044484.db2.gz WDFGXHZQMCNELP-NSHDSACASA-N 0 0 241.375 2.744 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)NCC1(C2CC2)CC1 ZINC000159713535 323044735 /nfs/dbraw/zinc/04/47/35/323044735.db2.gz VUZKVVDJYUVORH-WCQYABFASA-N 0 0 221.344 2.729 20 70 BFIDRN CCCC[C@H](CC)CC(=O)NC[C@H](O)C(C)C ZINC000159747073 323046642 /nfs/dbraw/zinc/04/66/42/323046642.db2.gz ORZARKQJJZWWLH-STQMWFEESA-N 0 0 243.391 2.726 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccoc1C ZINC000159781793 323047444 /nfs/dbraw/zinc/04/74/44/323047444.db2.gz MPQLBPAWMMKUEY-PWSUYJOCSA-N 0 0 221.300 2.897 20 70 BFIDRN CCCCCSC[C@H](C)CS(C)(=O)=O ZINC000159800619 323048873 /nfs/dbraw/zinc/04/88/73/323048873.db2.gz FJEPNLNGHYNLJA-JTQLQIEISA-N 0 0 238.418 2.591 20 70 BFIDRN Cc1noc(C)c1CCSCCOC(C)C ZINC000160139417 323061245 /nfs/dbraw/zinc/06/12/45/323061245.db2.gz YEXZOLDATLGAES-UHFFFAOYSA-N 0 0 243.372 2.992 20 70 BFIDRN CC(C)C[C@H](C)NC(=O)NC[C@H]1CCCS1 ZINC000160172895 323062728 /nfs/dbraw/zinc/06/27/28/323062728.db2.gz HKMUHBVRDWENJE-WDEREUQCSA-N 0 0 244.404 2.616 20 70 BFIDRN CCCC1(CNC(=O)NC[C@H](C)SC)CC1 ZINC000160337423 323065053 /nfs/dbraw/zinc/06/50/53/323065053.db2.gz UJWNKWITWAGJMA-JTQLQIEISA-N 0 0 244.404 2.617 20 70 BFIDRN CCCCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160356883 323065309 /nfs/dbraw/zinc/06/53/09/323065309.db2.gz VZILEEMQGTZIMO-UHFFFAOYSA-N 0 0 245.326 2.678 20 70 BFIDRN Cc1cccc(C(=O)N(C)Cc2cccn2C)c1 ZINC000160508697 323069769 /nfs/dbraw/zinc/06/97/69/323069769.db2.gz KVSPGQVTLUQSIQ-UHFFFAOYSA-N 0 0 242.322 2.606 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(N(C)C)nc1 ZINC000160531809 323070267 /nfs/dbraw/zinc/07/02/67/323070267.db2.gz OUOUNYDURTZPMB-SMDDNHRTSA-N 0 0 247.342 2.522 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(N(C)C)nc1 ZINC000160531943 323070324 /nfs/dbraw/zinc/07/03/24/323070324.db2.gz OUOUNYDURTZPMB-FZMZJTMJSA-N 0 0 247.342 2.522 20 70 BFIDRN CCC(CC)CNC(=O)N(C)[C@@H](C)CC ZINC000160570710 323072032 /nfs/dbraw/zinc/07/20/32/323072032.db2.gz ZNGDVZLHZYRFTB-JTQLQIEISA-N 0 0 214.353 2.863 20 70 BFIDRN Cn1nccc1CSc1nc2ccccc2o1 ZINC000161194901 323075808 /nfs/dbraw/zinc/07/58/08/323075808.db2.gz GCYQQPASLGEKRK-UHFFFAOYSA-N 0 0 245.307 2.854 20 70 BFIDRN C[C@@H]1CC[C@@H](C)N1C(=O)NC1CCCC1 ZINC000161433882 323075977 /nfs/dbraw/zinc/07/59/77/323075977.db2.gz VIFLOABXBJABTR-NXEZZACHSA-N 0 0 210.321 2.511 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)NC(C1CC1)C1CC1 ZINC000160658356 323076401 /nfs/dbraw/zinc/07/64/01/323076401.db2.gz CTGOIFJHQOBMJO-BXUZGUMPSA-N 0 0 221.344 2.727 20 70 BFIDRN CC(C)n1ccnc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160674867 323102537 /nfs/dbraw/zinc/10/25/37/323102537.db2.gz PCJAPGFKHPQIBR-BETUJISGSA-N 0 0 235.375 2.942 20 70 BFIDRN CC(C)CSCCCNC(=O)C(C)(C)C ZINC000160692674 323103265 /nfs/dbraw/zinc/10/32/65/323103265.db2.gz NJJBHRBHCCQSFU-UHFFFAOYSA-N 0 0 231.405 2.928 20 70 BFIDRN Cc1ccc(CN(C)Cc2cccnc2C)o1 ZINC000160872046 323137114 /nfs/dbraw/zinc/13/71/14/323137114.db2.gz ZWGBPXWOJHMZEV-UHFFFAOYSA-N 0 0 230.311 2.923 20 70 BFIDRN CC(=O)CSCCN1CCCc2ccccc21 ZINC000160933565 323139491 /nfs/dbraw/zinc/13/94/91/323139491.db2.gz FLDJRIIHKSGJBZ-UHFFFAOYSA-N 0 0 249.379 2.761 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)NCc1cccc(F)c1 ZINC000161029241 323143350 /nfs/dbraw/zinc/14/33/50/323143350.db2.gz UDYVJQQVSHITCI-JSGCOSHPSA-N 0 0 235.302 2.878 20 70 BFIDRN CCCC[C@@H](CC)CC(=O)NC[C@@H](C)CCO ZINC000161047274 323144816 /nfs/dbraw/zinc/14/48/16/323144816.db2.gz YJWYGJQTRIXEBR-QWHCGFSZSA-N 0 0 243.391 2.728 20 70 BFIDRN C[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccccn2)C1 ZINC000161112459 323147653 /nfs/dbraw/zinc/14/76/53/323147653.db2.gz JWKGHSGDAKKIMK-QWHCGFSZSA-N 0 0 246.354 2.866 20 70 BFIDRN Cn1nccc1CSc1nc2ccccc2[nH]1 ZINC000161194432 323226683 /nfs/dbraw/zinc/22/66/83/323226683.db2.gz OCIMSUPZZBAASV-UHFFFAOYSA-N 0 0 244.323 2.589 20 70 BFIDRN CC(C)C[C@@H](CO)NC(=O)C(C)(C)CC(C)C ZINC000161265904 323480585 /nfs/dbraw/zinc/48/05/85/323480585.db2.gz FEIGLPYQNKWTBR-LBPRGKRZSA-N 0 0 243.391 2.582 20 70 BFIDRN CS[C@H](C)CC(=O)NC[C@@H]1CC=CCC1 ZINC000161277323 323485446 /nfs/dbraw/zinc/48/54/46/323485446.db2.gz QTCNQKPFWSJECU-GHMZBOCLSA-N 0 0 227.373 2.601 20 70 BFIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)COC ZINC000161310712 323494456 /nfs/dbraw/zinc/49/44/56/323494456.db2.gz FEXOGGXGBOYIDL-YNEHKIRRSA-N 0 0 241.375 2.696 20 70 BFIDRN CSCCCC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000161495867 323535127 /nfs/dbraw/zinc/53/51/27/323535127.db2.gz MXIMPJVIJUPLDA-UWVGGRQHSA-N 0 0 215.362 2.529 20 70 BFIDRN CCCn1nccc1CNc1ccc(C)nc1C ZINC000160176836 488112932 /nfs/dbraw/zinc/11/29/32/488112932.db2.gz DDJFUJRIGXZEKO-UHFFFAOYSA-N 0 0 244.342 2.917 20 70 BFIDRN CC[C@@H]1C[C@H]1Nc1ncnc2c1CCCC2 ZINC000217805222 490484702 /nfs/dbraw/zinc/48/47/02/490484702.db2.gz VGHPOMYYOZVNMI-BXKDBHETSA-N 0 0 217.316 2.566 20 70 BFIDRN CCOCCC1(CNC(=O)[C@@H](C)CC)CCC1 ZINC000160764542 535481287 /nfs/dbraw/zinc/48/12/87/535481287.db2.gz HCBIRGDPBHHRNE-LBPRGKRZSA-N 0 0 241.375 2.746 20 70 BFIDRN CC[C@H](CCO)Nc1ncc(Cl)cc1Cl ZINC000217995622 536098756 /nfs/dbraw/zinc/09/87/56/536098756.db2.gz WQMGHMUPVASXFO-MRVPVSSYSA-N 0 0 249.141 2.961 20 70 BFIDRN CCC(C)(CC)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000159376075 585025557 /nfs/dbraw/zinc/02/55/57/585025557.db2.gz VQFOIICLTMJVQB-NSHDSACASA-N 0 0 241.375 2.887 20 70 BFIDRN CC[C@@H](CSC)Nc1nccs1 ZINC000217377115 592106422 /nfs/dbraw/zinc/10/64/22/592106422.db2.gz LTNLNGXRRJMYEC-ZETCQYMHSA-N 0 0 202.348 2.697 20 70 BFIDRN CCCCOC(=O)c1cc(F)cnc1Cl ZINC000218160362 592152251 /nfs/dbraw/zinc/15/22/51/592152251.db2.gz NQNSNDBGGQFGNN-UHFFFAOYSA-N 0 0 231.654 2.831 20 70 BFIDRN C[C@H](CC(=O)N1CC[C@H](C)[C@H]1C)c1ccncc1 ZINC000161246652 538914989 /nfs/dbraw/zinc/91/49/89/538914989.db2.gz PANYLVKIKAHCIK-YNEHKIRRSA-N 0 0 246.354 2.832 20 70 BFIDRN CCCCN(C)C(=O)Nc1ccc(C)nc1 ZINC000161299617 538915219 /nfs/dbraw/zinc/91/52/19/538915219.db2.gz LSQKDUSICDAZJG-UHFFFAOYSA-N 0 0 221.304 2.654 20 70 BFIDRN Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H]2C)cn1 ZINC000161430737 538915543 /nfs/dbraw/zinc/91/55/43/538915543.db2.gz ZXFRKICBEYPCGQ-MWLCHTKSSA-N 0 0 233.315 2.652 20 70 BFIDRN Cc1ccccc1C1(C(=O)NC2CC=CC2)CC1 ZINC000160779824 538912982 /nfs/dbraw/zinc/91/29/82/538912982.db2.gz WPHNZKFFJFCYME-UHFFFAOYSA-N 0 0 241.334 2.861 20 70 BFIDRN CCN(C(=O)c1cc(C)c(C)o1)c1ccncc1 ZINC000161069797 538914154 /nfs/dbraw/zinc/91/41/54/538914154.db2.gz BZSGLDKNJBXFQY-UHFFFAOYSA-N 0 0 244.294 2.958 20 70 BFIDRN CCOCCCN(C)c1cccc(C)c1 ZINC000160326009 136214604 /nfs/dbraw/zinc/21/46/04/136214604.db2.gz CKNMTDTUXKGAGN-UHFFFAOYSA-N 0 0 207.317 2.858 20 70 BFIDRN CCC(CC)NC(=O)NCc1ccc(F)cc1 ZINC000217304998 168380213 /nfs/dbraw/zinc/38/02/13/168380213.db2.gz AEXODXBMDJEEOJ-UHFFFAOYSA-N 0 0 238.306 2.814 20 70 BFIDRN Cc1ccc(F)c(NC(=O)[C@H]2CCCCO2)c1 ZINC000159623353 178675522 /nfs/dbraw/zinc/67/55/22/178675522.db2.gz YMSOASPSAIKNOU-GFCCVEGCSA-N 0 0 237.274 2.642 20 70 BFIDRN Cc1ccc(NC(N)=O)cc1OCCC(C)C ZINC000160461338 187301263 /nfs/dbraw/zinc/30/12/63/187301263.db2.gz GCPMUSYEYNPSGW-UHFFFAOYSA-N 0 0 236.315 2.911 20 70 BFIDRN COc1ccc(OCc2nccs2)cc1 ZINC000161114813 187301763 /nfs/dbraw/zinc/30/17/63/187301763.db2.gz QXVCYTNQFQTBOO-UHFFFAOYSA-N 0 0 221.281 2.731 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)CC(F)(F)F ZINC000159523996 345439662 /nfs/dbraw/zinc/43/96/62/345439662.db2.gz DGOHHXCEAOYATC-YUMQZZPRSA-N 0 0 223.238 2.634 20 70 BFIDRN CCOC(C)(C)CNc1cc(C(C)C)ncn1 ZINC000159543220 345442062 /nfs/dbraw/zinc/44/20/62/345442062.db2.gz MAHKMEPBSXALEC-UHFFFAOYSA-N 0 0 237.347 2.827 20 70 BFIDRN CCCCn1ncc(NC(=O)NC(C)C)c1C ZINC000159637235 345448000 /nfs/dbraw/zinc/44/80/00/345448000.db2.gz VDXCMLLFQWUDNM-UHFFFAOYSA-N 0 0 238.335 2.522 20 70 BFIDRN O=C(C1CC1)N1CC=C(c2ccccc2F)CC1 ZINC000159700210 345471919 /nfs/dbraw/zinc/47/19/19/345471919.db2.gz CLISBWVSABEHBN-UHFFFAOYSA-N 0 0 245.297 2.851 20 70 BFIDRN C[C@H]1CCC[C@@H](C(=O)NCCc2cccnc2)C1 ZINC000159811212 345554215 /nfs/dbraw/zinc/55/42/15/345554215.db2.gz VWJZJDIQDAPECP-GXTWGEPZSA-N 0 0 246.354 2.567 20 70 BFIDRN Cc1cccc(C(=O)N[C@H](C)C2CC2)c1F ZINC000161413924 179023944 /nfs/dbraw/zinc/02/39/44/179023944.db2.gz DKXABDGOXJBJEO-SECBINFHSA-N 0 0 221.275 2.662 20 70 BFIDRN Cc1cccc(C)c1CS[C@H]1CCN(C)C1=O ZINC000161387162 179038435 /nfs/dbraw/zinc/03/84/35/179038435.db2.gz CNHBEFHEEYFJIA-ZDUSSCGKSA-N 0 0 249.379 2.767 20 70 BFIDRN Cc1cccc(C)c1NC(=O)N[C@]1(C)CCOC1 ZINC000159487096 179042706 /nfs/dbraw/zinc/04/27/06/179042706.db2.gz XTHRLVGKFAXCDJ-CQSZACIVSA-N 0 0 248.326 2.604 20 70 BFIDRN CCCC1(CNC(=O)N[C@H](C)CC)CC1 ZINC000160234143 346357871 /nfs/dbraw/zinc/35/78/71/346357871.db2.gz OVUMZVMNUUBZAU-SNVBAGLBSA-N 0 0 212.337 2.664 20 70 BFIDRN Cc1cccc(OC(=O)[C@H]2CCCCO2)c1C ZINC000159743726 179162270 /nfs/dbraw/zinc/16/22/70/179162270.db2.gz JYEOAQYOFFBZQO-CYBMUJFWSA-N 0 0 234.295 2.778 20 70 BFIDRN CC(C)CSCCCNC(=O)[C@@H](C)C1CC1 ZINC000160814154 323136292 /nfs/dbraw/zinc/13/62/92/323136292.db2.gz QJJKTDMGHCJBFX-NSHDSACASA-N 0 0 243.416 2.928 20 70 BFIDRN CCC[C@@H](C)CC(=O)NCCCC(C)(C)CO ZINC000160345506 347476672 /nfs/dbraw/zinc/47/66/72/347476672.db2.gz WVKUIJBVGSCMDM-GFCCVEGCSA-N 0 0 243.391 2.728 20 70 BFIDRN Cc1ncsc1CN[C@@H](C)c1cscn1 ZINC000161190821 323169349 /nfs/dbraw/zinc/16/93/49/323169349.db2.gz LSQCMKWJANUXCV-ZETCQYMHSA-N 0 0 239.369 2.759 20 70 BFIDRN CC[C@H](C)C(=O)NCc1ccc(F)cc1F ZINC000217382338 350052999 /nfs/dbraw/zinc/05/29/99/350052999.db2.gz ZWJJQTBIELHTRE-QMMMGPOBSA-N 0 0 227.254 2.627 20 70 BFIDRN CC[C@H](C)[C@@H](C)Nc1ncccc1OC ZINC000159468321 538108261 /nfs/dbraw/zinc/10/82/61/538108261.db2.gz WVKNXFBZQGHILS-VHSXEESVSA-N 0 0 208.305 2.937 20 70 BFIDRN CC(=O)OCCCCSc1ccncc1 ZINC000159970553 188335043 /nfs/dbraw/zinc/33/50/43/188335043.db2.gz AMCOPHCYYBODJU-UHFFFAOYSA-N 0 0 225.313 2.517 20 70 BFIDRN CC[C@H](NC(=O)C(C)(CC)CC)[C@H]1CCCO1 ZINC000159508965 538877643 /nfs/dbraw/zinc/87/76/43/538877643.db2.gz XVVYYSDIPLPLJA-NWDGAFQWSA-N 0 0 241.375 2.887 20 70 BFIDRN COC(C)(C)C(=O)N1CCC2(CCCC2)CC1 ZINC000217617726 134249524 /nfs/dbraw/zinc/24/95/24/134249524.db2.gz BYOOXQOYKOWEJE-UHFFFAOYSA-N 0 0 239.359 2.594 20 70 BFIDRN CC/C=C(\C)C(=O)NCC1(O)CCCCCC1 ZINC000218236730 134252607 /nfs/dbraw/zinc/25/26/07/134252607.db2.gz CFNZGWAZWQLDFP-XYOKQWHBSA-N 0 0 239.359 2.544 20 70 BFIDRN CC(C)OC(=O)COC/C=C\c1ccccc1 ZINC000218763485 134259935 /nfs/dbraw/zinc/25/99/35/134259935.db2.gz ANGYFLBAFFWOTO-TWGQIWQCSA-N 0 0 234.295 2.668 20 70 BFIDRN C[C@@H]1CCC[C@@H](C(=O)NCc2nccs2)C1 ZINC000160742241 358226171 /nfs/dbraw/zinc/22/61/71/358226171.db2.gz KXYOURYHWRASLR-NXEZZACHSA-N 0 0 238.356 2.586 20 70 BFIDRN C[C@H]1CCC[C@@H](C(=O)NCc2nccs2)C1 ZINC000160742366 358226428 /nfs/dbraw/zinc/22/64/28/358226428.db2.gz KXYOURYHWRASLR-VHSXEESVSA-N 0 0 238.356 2.586 20 70 BFIDRN CCCCSCCC(=O)NC1CC=CC1 ZINC000161007623 359711024 /nfs/dbraw/zinc/71/10/24/359711024.db2.gz ITCSNWKTJYMLOY-UHFFFAOYSA-N 0 0 227.373 2.745 20 70 BFIDRN CC1(C)C[C@H](Nc2cccc(F)n2)CCO1 ZINC000160670727 200722384 /nfs/dbraw/zinc/72/23/84/200722384.db2.gz KTTFCZCOZYSMEU-SECBINFHSA-N 0 0 224.279 2.590 20 70 BFIDRN CCc1onc(C)c1C(=O)NCCC1=CCCC1 ZINC000160153416 541496114 /nfs/dbraw/zinc/49/61/14/541496114.db2.gz JIKHGXFLIDZJFW-UHFFFAOYSA-N 0 0 248.326 2.776 20 70 BFIDRN CC[C@H](C)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159695582 201688131 /nfs/dbraw/zinc/68/81/31/201688131.db2.gz RBYYFOBQXHHTIF-NSHDSACASA-N 0 0 244.338 2.873 20 70 BFIDRN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccco1 ZINC000160235853 182305882 /nfs/dbraw/zinc/30/58/82/182305882.db2.gz ZNYIQSDTPNCOPC-LLVKDONJSA-N 0 0 249.310 2.501 20 70 BFIDRN CCCOC(=O)[C@H](C)Sc1ccncc1 ZINC000159956658 169300093 /nfs/dbraw/zinc/30/00/93/169300093.db2.gz FTBBHMRYVCWXFY-VIFPVBQESA-N 0 0 225.313 2.515 20 70 BFIDRN c1ccc2[nH]c(N[C@H]3CCCSC3)nc2c1 ZINC000160555398 183435224 /nfs/dbraw/zinc/43/52/24/183435224.db2.gz DIAQAQAUHOJNGC-VIFPVBQESA-N 0 0 233.340 2.870 20 70 BFIDRN CCC[C@@H](C(=O)Nc1nc(C)ns1)C(C)C ZINC000159557053 169346080 /nfs/dbraw/zinc/34/60/80/169346080.db2.gz BSSJLKATBJIALJ-SECBINFHSA-N 0 0 241.360 2.857 20 70 BFIDRN CC1(C)CCCC[C@@H]1CC(=O)NCC(F)F ZINC000159416269 384104265 /nfs/dbraw/zinc/10/42/65/384104265.db2.gz AOHOJJRFZQRCPW-SECBINFHSA-N 0 0 233.302 2.974 20 70 BFIDRN CC[C@@H](C)CN(C)C(=O)c1cccc2nc[nH]c21 ZINC000159487912 384335341 /nfs/dbraw/zinc/33/53/41/384335341.db2.gz UAWDCXCHPPYIDZ-SNVBAGLBSA-N 0 0 245.326 2.681 20 70 BFIDRN Cc1ccc(F)cc1NC(=O)[C@H]1CCCCO1 ZINC000159515960 384337610 /nfs/dbraw/zinc/33/76/10/384337610.db2.gz NPMKYRJJQOJJGO-GFCCVEGCSA-N 0 0 237.274 2.642 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(C)nc1 ZINC000159663882 384349271 /nfs/dbraw/zinc/34/92/71/384349271.db2.gz FXSXACQSDZHKPP-KBPBESRZSA-N 0 0 246.354 2.627 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)c1cccnc1 ZINC000159832842 384362614 /nfs/dbraw/zinc/36/26/14/384362614.db2.gz USXBNSHDRDOYEA-SGMGOOAPSA-N 0 0 246.354 2.880 20 70 BFIDRN Cc1ccc(C(=O)NCC2(C3CC3)CC2)o1 ZINC000159841137 384363669 /nfs/dbraw/zinc/36/36/69/384363669.db2.gz WTGCQDRAJNSPDL-UHFFFAOYSA-N 0 0 219.284 2.508 20 70 BFIDRN Cc1cncc(/C=C/C(=O)NCCC(C)C)c1 ZINC000159379434 384326134 /nfs/dbraw/zinc/32/61/34/384326134.db2.gz MEMJGFONPVFJCV-SNAWJCMRSA-N 0 0 232.327 2.566 20 70 BFIDRN Cc1nc(COC(=O)CC2CC2)c(C)s1 ZINC000159955595 384373270 /nfs/dbraw/zinc/37/32/70/384373270.db2.gz LXUHREFRGQGLEQ-UHFFFAOYSA-N 0 0 225.313 2.603 20 70 BFIDRN CS[C@@H](C)CC(=O)Nc1ncc(C)s1 ZINC000160253319 384396639 /nfs/dbraw/zinc/39/66/39/384396639.db2.gz GTQGVVXCJGYUKI-LURJTMIESA-N 0 0 230.358 2.532 20 70 BFIDRN CS[C@H](C)CC(=O)Nc1nc(C)cs1 ZINC000160244116 384397089 /nfs/dbraw/zinc/39/70/89/384397089.db2.gz YSPLSOOAWHRNBU-SSDOTTSWSA-N 0 0 230.358 2.532 20 70 BFIDRN CCCCOC(=O)[C@H](C)Sc1ccncc1 ZINC000159973510 384376277 /nfs/dbraw/zinc/37/62/77/384376277.db2.gz GUNLMYXEDXEKDC-JTQLQIEISA-N 0 0 239.340 2.906 20 70 BFIDRN CS[C@H](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000160641420 384425343 /nfs/dbraw/zinc/42/53/43/384425343.db2.gz IIRWCQQMASNGPF-SSDOTTSWSA-N 0 0 244.747 2.815 20 70 BFIDRN O=C(CC1CC1)N1CCc2c(F)cccc2C1 ZINC000160938647 384448383 /nfs/dbraw/zinc/44/83/83/384448383.db2.gz ZJYBBOAMTJTSTL-UHFFFAOYSA-N 0 0 233.286 2.511 20 70 BFIDRN CC(C)CNC(=O)NCCC1CCCCC1 ZINC000217305069 384455916 /nfs/dbraw/zinc/45/59/16/384455916.db2.gz DDFDOPPTHAJMMF-UHFFFAOYSA-N 0 0 226.364 2.912 20 70 BFIDRN CCN(C(=O)[C@@H]1CCCCO1)c1ccccc1C ZINC000160761438 384433284 /nfs/dbraw/zinc/43/32/84/384433284.db2.gz DTJRSICJYYZLIF-AWEZNQCLSA-N 0 0 247.338 2.917 20 70 BFIDRN COCc1ccc(CN(C)Cc2ccc(C)o2)o1 ZINC000160843698 384439465 /nfs/dbraw/zinc/43/94/65/384439465.db2.gz QRHMBUXKEBKJDD-UHFFFAOYSA-N 0 0 249.310 2.959 20 70 BFIDRN CCOCCC1(C(=O)Nc2ccccn2)CCC1 ZINC000160836479 384439714 /nfs/dbraw/zinc/43/97/14/384439714.db2.gz XXZLZKJXRSNDKX-UHFFFAOYSA-N 0 0 248.326 2.617 20 70 BFIDRN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(F)n1 ZINC000160824009 384439906 /nfs/dbraw/zinc/43/99/06/384439906.db2.gz NVXJMCUMBYCXAM-BDAKNGLRSA-N 0 0 224.279 2.841 20 70 BFIDRN CC[C@H](c1ccncc1)N(CC)C(=O)NC(C)C ZINC000160827412 384440372 /nfs/dbraw/zinc/44/03/72/384440372.db2.gz BWXHFWFLUUEFLM-CYBMUJFWSA-N 0 0 249.358 2.973 20 70 BFIDRN CC(C)c1cc(=O)n(CCc2ccccc2)cn1 ZINC000160831274 384440503 /nfs/dbraw/zinc/44/05/03/384440503.db2.gz GVULMECJZKEXFT-UHFFFAOYSA-N 0 0 242.322 2.609 20 70 BFIDRN C/C=C/C=C/C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000161315996 384478616 /nfs/dbraw/zinc/47/86/16/384478616.db2.gz CZZQJPCMUNXVQX-YUQOPSFVSA-N 0 0 249.354 2.727 20 70 BFIDRN CC[C@H](S[C@H](C)C(N)=O)c1ccc(F)cc1 ZINC000161345254 384482161 /nfs/dbraw/zinc/48/21/61/384482161.db2.gz FUKVWJTXICIEGR-KCJUWKMLSA-N 0 0 241.331 2.884 20 70 BFIDRN N#CN(Cc1nccs1)c1ccccc1 ZINC000161407604 385012791 /nfs/dbraw/zinc/01/27/91/385012791.db2.gz SGOPSWJMOHJQAY-UHFFFAOYSA-N 0 0 215.281 2.631 20 70 BFIDRN C[C@@H](NC(=O)C(F)F)c1ccccc1Cl ZINC000217622472 385455762 /nfs/dbraw/zinc/45/57/62/385455762.db2.gz SYARXKPPQKCQFG-ZCFIWIBFSA-N 0 0 233.645 2.782 20 70 BFIDRN O=C(N1C[C@@H]2CCC[C@@H]2C1)N1CCCCCC1 ZINC000160729831 385757849 /nfs/dbraw/zinc/75/78/49/385757849.db2.gz YVGAIKLRFHJMGR-BETUJISGSA-N 0 0 236.359 2.714 20 70 BFIDRN Cc1cccc(CNC(=O)[C@@H]2CCC[C@H](C)C2)n1 ZINC000161144634 385806579 /nfs/dbraw/zinc/80/65/79/385806579.db2.gz BJIUGAMIZRRVIB-WCQYABFASA-N 0 0 246.354 2.833 20 70 BFIDRN Cc1n[nH]cc1C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000160959053 385923572 /nfs/dbraw/zinc/92/35/72/385923572.db2.gz CRCCVGPTDSRHCV-UHFFFAOYSA-N 0 0 247.342 2.537 20 70 BFIDRN CC[C@@H](NC(=O)C1(C)CC1)c1c(C)noc1C ZINC000160211714 387072605 /nfs/dbraw/zinc/07/26/05/387072605.db2.gz MXNOGHDIZPBOCT-SNVBAGLBSA-N 0 0 236.315 2.659 20 70 BFIDRN CC(C)c1nccc(N[C@H]2CC[C@@H](CO)CC2)n1 ZINC000161329801 387191482 /nfs/dbraw/zinc/19/14/82/387191482.db2.gz AYPMZDRBETZWMH-HAQNSBGRSA-N 0 0 249.358 2.563 20 70 BFIDRN CCOC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000159363439 388009787 /nfs/dbraw/zinc/00/97/87/388009787.db2.gz VLYVAOSUDBUWNY-IUCAKERBSA-N 0 0 210.298 2.723 20 70 BFIDRN CS[C@H](C)CNC(=O)c1cccc(C)c1F ZINC000159470303 388017430 /nfs/dbraw/zinc/01/74/30/388017430.db2.gz XUAJLCLQZOQAFS-SECBINFHSA-N 0 0 241.331 2.615 20 70 BFIDRN Cc1cc(C)nc(N[C@H](C)C2CCC2)n1 ZINC000160061114 388044350 /nfs/dbraw/zinc/04/43/50/388044350.db2.gz FJWJAXINSYZPOB-SNVBAGLBSA-N 0 0 205.305 2.694 20 70 BFIDRN CCSCCN(C)Cc1csc(C)n1 ZINC000159721650 388028683 /nfs/dbraw/zinc/02/86/83/388028683.db2.gz PINYBFKONILZPU-UHFFFAOYSA-N 0 0 230.402 2.636 20 70 BFIDRN CCCCN(C)Cc1nccn1C(C)C ZINC000160675601 388083213 /nfs/dbraw/zinc/08/32/13/388083213.db2.gz UZZMHIQIMDJRMB-UHFFFAOYSA-N 0 0 209.337 2.696 20 70 BFIDRN CCNC(=O)CN(c1cc(C)ccc1C)C(C)C ZINC000160743234 388086657 /nfs/dbraw/zinc/08/66/57/388086657.db2.gz CLKSINQOXLRAIK-UHFFFAOYSA-N 0 0 248.370 2.654 20 70 BFIDRN CCC(CC)n1nccc1C(=O)N(CC)CC ZINC000160864042 388095259 /nfs/dbraw/zinc/09/52/59/388095259.db2.gz YKWRNYYUUDUANO-UHFFFAOYSA-N 0 0 237.347 2.726 20 70 BFIDRN C[C@H]1C[C@H](C)CN(C(=O)NCC2CCCC2)C1 ZINC000217568478 256841386 /nfs/dbraw/zinc/84/13/86/256841386.db2.gz CGZPVDZZSJJBJZ-RYUDHWBXSA-N 0 0 238.375 2.864 20 70 BFIDRN C[C@@H]1CCCCN1C(=O)NCC1CCCC1 ZINC000217569301 388570795 /nfs/dbraw/zinc/57/07/95/388570795.db2.gz UAZJAZSQLQXWBA-LLVKDONJSA-N 0 0 224.348 2.761 20 70 BFIDRN CCc1ncnc(NC[C@@H]2CC2(C)C)c1F ZINC000218016956 134250676 /nfs/dbraw/zinc/25/06/76/134250676.db2.gz ZSOLGKYMVLSHBU-QMMMGPOBSA-N 0 0 223.295 2.636 20 70 BFIDRN C[C@@H]1CCC[C@@H](CNc2cnccn2)C1 ZINC000217920509 134251128 /nfs/dbraw/zinc/25/11/28/134251128.db2.gz OFJOZDFYSZYEJW-GHMZBOCLSA-N 0 0 205.305 2.715 20 70 BFIDRN C[C@@H](O)[C@@H](C)Sc1nc(C(C)(C)C)ns1 ZINC000159757199 134790082 /nfs/dbraw/zinc/79/00/82/134790082.db2.gz AJBRKFFGSGQHSQ-RNFRBKRXSA-N 0 0 246.401 2.697 20 70 BFIDRN CC[C@@H]1CCCN(C(=O)N2CCC(C)CC2)C1 ZINC000160364850 397936645 /nfs/dbraw/zinc/93/66/45/397936645.db2.gz WDSAWQIQBQJVCH-CYBMUJFWSA-N 0 0 238.375 2.960 20 70 BFIDRN CC1=CCN(C(=O)c2ccncc2Cl)CC1 ZINC000160178629 168109833 /nfs/dbraw/zinc/10/98/33/168109833.db2.gz CAVPJNJWTOQKQB-UHFFFAOYSA-N 0 0 236.702 2.527 20 70 BFIDRN CC1CCN(C(=O)N(C)Cc2ccoc2)CC1 ZINC000160391457 168172914 /nfs/dbraw/zinc/17/29/14/168172914.db2.gz HLLZBGAJDINIKZ-UHFFFAOYSA-N 0 0 236.315 2.563 20 70 BFIDRN CC(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000160848032 411393533 /nfs/dbraw/zinc/39/35/33/411393533.db2.gz ZUPRGCGMWALOHX-STQMWFEESA-N 0 0 239.359 2.593 20 70 BFIDRN CC(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000160848157 411393885 /nfs/dbraw/zinc/39/38/85/411393885.db2.gz ZUPRGCGMWALOHX-OLZOCXBDSA-N 0 0 239.359 2.593 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)CCc1ccccn1 ZINC000159592791 170997341 /nfs/dbraw/zinc/99/73/41/170997341.db2.gz WEULBBZCJADUKA-TZMCWYRMSA-N 0 0 246.354 2.709 20 70 BFIDRN CC[C@@H]1CC[C@H](C)N1C(=O)NC(C)(C)C ZINC000161481194 171050853 /nfs/dbraw/zinc/05/08/53/171050853.db2.gz FONWFLAVDHVTMV-VHSXEESVSA-N 0 0 212.337 2.757 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(OC)c(N)c1 ZINC000161199142 171207904 /nfs/dbraw/zinc/20/79/04/171207904.db2.gz IKEBSYNSQZQWPQ-HZMBPMFUSA-N 0 0 248.326 2.652 20 70 BFIDRN CC[C@H](C)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000159796161 171247414 /nfs/dbraw/zinc/24/74/14/171247414.db2.gz WCHHPIJRDGFKBT-VIFPVBQESA-N 0 0 239.290 2.843 20 70 BFIDRN CC[C@H](C)C(=O)N1CCc2c(F)cccc2C1 ZINC000160919863 171249242 /nfs/dbraw/zinc/24/92/42/171249242.db2.gz KDUDUMXNUGKPQN-JTQLQIEISA-N 0 0 235.302 2.757 20 70 BFIDRN CC[C@H](C)C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000160285981 171253276 /nfs/dbraw/zinc/25/32/76/171253276.db2.gz BOXJMGMCERSZIK-KWQFWETISA-N 0 0 238.331 2.905 20 70 BFIDRN CC[C@H](NC(=O)C(C)C)c1c(C)noc1C ZINC000160381765 171495557 /nfs/dbraw/zinc/49/55/57/171495557.db2.gz ZCAHTOLFVJMYQM-JTQLQIEISA-N 0 0 224.304 2.515 20 70 BFIDRN CC[C@H](NC(=O)CC(C)C)c1c(C)noc1C ZINC000160323623 171496428 /nfs/dbraw/zinc/49/64/28/171496428.db2.gz FSRNOAJLIPEFQP-NSHDSACASA-N 0 0 238.331 2.905 20 70 BFIDRN CCc1cccc(NC(=O)N[C@]2(C)CCOC2)c1 ZINC000159460421 171861341 /nfs/dbraw/zinc/86/13/41/171861341.db2.gz JLVUDSYLOOFQKZ-CQSZACIVSA-N 0 0 248.326 2.550 20 70 BFIDRN CCc1ccccc1C(=O)N1CCO[C@@H](CC)C1 ZINC000161227961 171871471 /nfs/dbraw/zinc/87/14/71/171871471.db2.gz MZBHTSVXEBCPRM-ZDUSSCGKSA-N 0 0 247.338 2.500 20 70 BFIDRN CCc1ncnc(N2Cc3ccccc3C2)c1F ZINC000159552643 172032043 /nfs/dbraw/zinc/03/20/43/172032043.db2.gz ZPBJQGWAOFRPSV-UHFFFAOYSA-N 0 0 243.285 2.698 20 70 BFIDRN COCC(C)(C)C(=O)Oc1ccc(Cl)cc1 ZINC000160484954 174068725 /nfs/dbraw/zinc/06/87/25/174068725.db2.gz SDOFWIKDKCHURL-UHFFFAOYSA-N 0 0 242.702 2.918 20 70 BFIDRN COc1cc(NCc2c(C)n[nH]c2C)ccc1F ZINC000160100196 175002806 /nfs/dbraw/zinc/00/28/06/175002806.db2.gz FXBZMDCDYSBFMT-UHFFFAOYSA-N 0 0 249.289 2.786 20 70 BFIDRN COc1ccc(SCc2ccnn2C)cc1 ZINC000161270864 175175284 /nfs/dbraw/zinc/17/52/84/175175284.db2.gz GQJNSWJJNZNVMV-UHFFFAOYSA-N 0 0 234.324 2.721 20 70 BFIDRN COc1ccccc1C(=O)NCC1(C2CC2)CC1 ZINC000159774381 175317967 /nfs/dbraw/zinc/31/79/67/175317967.db2.gz PHDXXFXNLDFIOD-UHFFFAOYSA-N 0 0 245.322 2.615 20 70 BFIDRN C[C@H](CO)Sc1ccc(C(F)(F)F)cn1 ZINC000160954506 176709436 /nfs/dbraw/zinc/70/94/36/176709436.db2.gz ONQBCYBPBTXNAW-ZCFIWIBFSA-N 0 0 237.246 2.573 20 70 BFIDRN C[C@H](OC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000160003878 177020667 /nfs/dbraw/zinc/02/06/67/177020667.db2.gz BYCXLEDGTSYALR-WCQYABFASA-N 0 0 234.295 2.860 20 70 BFIDRN CCCCNC(=S)NCC(C)(C)C(C)C ZINC000218745752 592176372 /nfs/dbraw/zinc/17/63/72/592176372.db2.gz HFQSPDHBVQVYBJ-UHFFFAOYSA-N 0 0 230.421 2.933 20 70 BFIDRN COc1cccnc1N[C@H](C)CC1CC1 ZINC000159462994 322969776 /nfs/dbraw/zinc/96/97/76/322969776.db2.gz PYGZGRVKCPSGCG-SECBINFHSA-N 0 0 206.289 2.691 20 70 BFIDRN C[C@@H]1CCC[C@H](C(=O)N(C)Cc2ccncc2)C1 ZINC000159519287 323033640 /nfs/dbraw/zinc/03/36/40/323033640.db2.gz XDKSNWQGXDWBLI-OCCSQVGLSA-N 0 0 246.354 2.866 20 70 BFIDRN Cc1cc(NC(=O)C2CCCCCC2)c[nH]c1=O ZINC000159550393 323036282 /nfs/dbraw/zinc/03/62/82/323036282.db2.gz NWFLJJYYBOCKJU-UHFFFAOYSA-N 0 0 248.326 2.592 20 70 BFIDRN CCO[C@H](CCNC(=O)[C@@H]1CC1(C)C)C(C)C ZINC000159652462 323042319 /nfs/dbraw/zinc/04/23/19/323042319.db2.gz XDTSFWIYHZYGDS-NWDGAFQWSA-N 0 0 241.375 2.600 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)NCCc1cccs1 ZINC000159786518 323047694 /nfs/dbraw/zinc/04/76/94/323047694.db2.gz BVGASIVVBOGNKZ-DGCLKSJQSA-N 0 0 237.368 2.843 20 70 BFIDRN CCC1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000159835018 323050356 /nfs/dbraw/zinc/05/03/56/323050356.db2.gz FLMNPGKODVYONT-NSHDSACASA-N 0 0 209.333 2.681 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1cc(C)ccn1 ZINC000159875030 323051466 /nfs/dbraw/zinc/05/14/66/323051466.db2.gz XTDZZCJUODNGCJ-GXFFZTMASA-N 0 0 218.300 2.765 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1cccc(C)n1 ZINC000159881273 323051826 /nfs/dbraw/zinc/05/18/26/323051826.db2.gz FQWVYAVSBSXJKY-GXFFZTMASA-N 0 0 218.300 2.765 20 70 BFIDRN CCCCOCCSc1ccncc1 ZINC000159957195 323055593 /nfs/dbraw/zinc/05/55/93/323055593.db2.gz CQRCMJKPASEJBL-UHFFFAOYSA-N 0 0 211.330 2.990 20 70 BFIDRN CC[C@H](C)[C@H](C)NC(=O)NC1(C)CCC1 ZINC000159970504 323055940 /nfs/dbraw/zinc/05/59/40/323055940.db2.gz KKSXVJOTMMDGQV-UWVGGRQHSA-N 0 0 212.337 2.663 20 70 BFIDRN Cc1ccccc1OCCNC(=O)[C@@H]1CC1(C)C ZINC000160026358 323057935 /nfs/dbraw/zinc/05/79/35/323057935.db2.gz GBSDFFFZMXRQJY-LBPRGKRZSA-N 0 0 247.338 2.536 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)C1CCCCC1 ZINC000160083803 323060156 /nfs/dbraw/zinc/06/01/56/323060156.db2.gz NYOAHJAAKPKOIQ-UHFFFAOYSA-N 0 0 221.344 2.873 20 70 BFIDRN CC[C@@H](NC(=O)C1=CCCC1)c1c(C)noc1C ZINC000160212279 323064202 /nfs/dbraw/zinc/06/42/02/323064202.db2.gz ZLVXSHBFLRQESJ-GFCCVEGCSA-N 0 0 248.326 2.969 20 70 BFIDRN C/C=C/C=C/C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000160393399 323065571 /nfs/dbraw/zinc/06/55/71/323065571.db2.gz MGNILHRIOFHEDU-HOAKZDAHSA-N 0 0 248.326 2.991 20 70 BFIDRN CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)N(C)C(C)C ZINC000160550279 323070777 /nfs/dbraw/zinc/07/07/77/323070777.db2.gz VYNADIKSXPULDU-OLZOCXBDSA-N 0 0 242.407 2.610 20 70 BFIDRN Cc1cccc([S@](=O)Cc2nccs2)c1 ZINC000160659260 323076414 /nfs/dbraw/zinc/07/64/14/323076414.db2.gz INTZLNUGVUZYON-HNNXBMFYSA-N 0 0 237.349 2.759 20 70 BFIDRN CC[C@@H](C)OCC(=O)NCC1CCC(C)CC1 ZINC000160785809 323135436 /nfs/dbraw/zinc/13/54/36/323135436.db2.gz GGUONAJQTWMAHD-OTTFEQOBSA-N 0 0 241.375 2.744 20 70 BFIDRN CN(Cc1cccn1C)C(=O)C1CCCCC1 ZINC000160836566 323136410 /nfs/dbraw/zinc/13/64/10/323136410.db2.gz LHWYHHPYUCQATJ-UHFFFAOYSA-N 0 0 234.343 2.564 20 70 BFIDRN Cc1cccc(N(C)Cc2nccn2C)c1C ZINC000160822961 323136658 /nfs/dbraw/zinc/13/66/58/323136658.db2.gz FWKMFOJNFVTADS-UHFFFAOYSA-N 0 0 229.327 2.673 20 70 BFIDRN CC(C)C[C@H](C)CC(=O)N[C@H](CO)CC(C)C ZINC000160911981 323139051 /nfs/dbraw/zinc/13/90/51/323139051.db2.gz BOXYHQGVSJVZAW-STQMWFEESA-N 0 0 243.391 2.582 20 70 BFIDRN Cc1ccc(C(=O)N(C)Cc2cccn2C)s1 ZINC000160921385 323139222 /nfs/dbraw/zinc/13/92/22/323139222.db2.gz GYRHEVZIDHMHDH-UHFFFAOYSA-N 0 0 248.351 2.667 20 70 BFIDRN Cc1nnc(CSc2ccc(C)cc2)n1C ZINC000160953060 323139941 /nfs/dbraw/zinc/13/99/41/323139941.db2.gz NJYJBJYIPBBORB-UHFFFAOYSA-N 0 0 233.340 2.724 20 70 BFIDRN Cc1ccc(SCc2nncn2C)cc1C ZINC000160974798 323141207 /nfs/dbraw/zinc/14/12/07/323141207.db2.gz VQHWCDXUDQWIKS-UHFFFAOYSA-N 0 0 233.340 2.724 20 70 BFIDRN CC[C@@H](C)OCC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000161014555 323143199 /nfs/dbraw/zinc/14/31/99/323143199.db2.gz NBHVZMWKMSPLDY-NEPJUHHUSA-N 0 0 241.375 2.837 20 70 BFIDRN Cc1nnc(CSCC2CCCCC2)n1C ZINC000161042374 323144766 /nfs/dbraw/zinc/14/47/66/323144766.db2.gz YCWCPKKFCSPQCA-UHFFFAOYSA-N 0 0 239.388 2.937 20 70 BFIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCCOC ZINC000161297624 323493615 /nfs/dbraw/zinc/49/36/15/323493615.db2.gz MUMPEKWSXDSTEZ-STQMWFEESA-N 0 0 241.375 2.840 20 70 BFIDRN COc1ccccc1C(=O)N1[C@H](C)CC[C@H]1C ZINC000161397501 323511572 /nfs/dbraw/zinc/51/15/72/323511572.db2.gz LQULLTDDGWUBFL-GHMZBOCLSA-N 0 0 233.311 2.708 20 70 BFIDRN CSCCCC(=O)N1[C@H](C)CC[C@H]1C ZINC000161495984 323535269 /nfs/dbraw/zinc/53/52/69/323535269.db2.gz MXIMPJVIJUPLDA-NXEZZACHSA-N 0 0 215.362 2.529 20 70 BFIDRN CCc1ncnc(NCCCC2CC2)c1F ZINC000218025173 324056278 /nfs/dbraw/zinc/05/62/78/324056278.db2.gz MIHDYUWCKUJXHC-UHFFFAOYSA-N 0 0 223.295 2.780 20 70 BFIDRN CCCn1nccc1CNc1cnccc1C ZINC000160145259 488108934 /nfs/dbraw/zinc/10/89/34/488108934.db2.gz RFFGPOSBSLDHQJ-UHFFFAOYSA-N 0 0 230.315 2.609 20 70 BFIDRN COc1cc(CN(C)Cc2ccccc2)sn1 ZINC000217112092 490429269 /nfs/dbraw/zinc/42/92/69/490429269.db2.gz KUKZCARSGAEMKR-UHFFFAOYSA-N 0 0 248.351 2.784 20 70 BFIDRN Cc1ccc(NC(=O)NCC2CCCC2)cn1 ZINC000217578512 491130051 /nfs/dbraw/zinc/13/00/51/491130051.db2.gz FIULMLUWYOKYJZ-UHFFFAOYSA-N 0 0 233.315 2.702 20 70 BFIDRN CN(Cc1cncnc1)Cc1ccccc1Cl ZINC000160815326 566435482 /nfs/dbraw/zinc/43/54/82/566435482.db2.gz OZHRLQSEVSBXCK-UHFFFAOYSA-N 0 0 247.729 2.762 20 70 BFIDRN CC(C)C(=O)OCCSc1ccccc1 ZINC000217400392 592106358 /nfs/dbraw/zinc/10/63/58/592106358.db2.gz JRORXCSMUSEUCJ-UHFFFAOYSA-N 0 0 224.325 2.978 20 70 BFIDRN C[C@@H]1C[C@H]1C(=O)OC[C@@H]1CC=CC[C@@H]1C ZINC000218546854 592161753 /nfs/dbraw/zinc/16/17/53/592161753.db2.gz ARHZALVZFNAPIS-WHOHXGKFSA-N 0 0 208.301 2.788 20 70 BFIDRN C[C@H](CO)CSc1ccc(F)cc1F ZINC000160823921 538912734 /nfs/dbraw/zinc/91/27/34/538912734.db2.gz RUMYMLGFVCALCD-SSDOTTSWSA-N 0 0 218.268 2.685 20 70 BFIDRN CCOc1c(F)cccc1C(=O)NC1CC=CC1 ZINC000160840269 538912805 /nfs/dbraw/zinc/91/28/05/538912805.db2.gz RQQSZRWSNZYCGZ-UHFFFAOYSA-N 0 0 249.285 2.673 20 70 BFIDRN O=C(NC1CC=CC1)c1coc2ccccc12 ZINC000160845985 538912895 /nfs/dbraw/zinc/91/28/95/538912895.db2.gz TWLQSHWJCGLWGU-UHFFFAOYSA-N 0 0 227.263 2.881 20 70 BFIDRN O=C(NC1CC=CC1)c1c(F)cc(F)cc1F ZINC000161051189 538913691 /nfs/dbraw/zinc/91/36/91/538913691.db2.gz GQGHSLSFFYFWIB-UHFFFAOYSA-N 0 0 241.212 2.552 20 70 BFIDRN CCn1cc(NC(=O)c2cccc(C)c2F)cn1 ZINC000161461295 349454943 /nfs/dbraw/zinc/45/49/43/349454943.db2.gz ANFIKFLIFIYPCJ-UHFFFAOYSA-N 0 0 247.273 2.603 20 70 BFIDRN Cc1cc(=O)[nH]c([C@@H](C)Sc2ccncc2)n1 ZINC000160017183 178202775 /nfs/dbraw/zinc/20/27/75/178202775.db2.gz OTFVGTSEUCDHHE-SECBINFHSA-N 0 0 247.323 2.739 20 70 BFIDRN CCCCNC(=O)NCC1(CCC)CC1 ZINC000160234273 201707476 /nfs/dbraw/zinc/70/74/76/201707476.db2.gz FDLOZCCWZLEAAP-UHFFFAOYSA-N 0 0 212.337 2.666 20 70 BFIDRN COc1ccc(N(C)C(=O)CC2CC2)cc1F ZINC000159751669 323046995 /nfs/dbraw/zinc/04/69/95/323046995.db2.gz JNNOOJVDLNAVQF-UHFFFAOYSA-N 0 0 237.274 2.597 20 70 BFIDRN CCCCC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159671006 534952932 /nfs/dbraw/zinc/95/29/32/534952932.db2.gz RBEATDCMASMUPZ-LBPRGKRZSA-N 0 0 239.359 2.785 20 70 BFIDRN Cc1cc(N[C@@H](C)C2CCC2)nc(C)n1 ZINC000160069830 187358320 /nfs/dbraw/zinc/35/83/20/187358320.db2.gz BFKZURIGDVNRER-VIFPVBQESA-N 0 0 205.305 2.694 20 70 BFIDRN CCC1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000160390943 168524926 /nfs/dbraw/zinc/52/49/26/168524926.db2.gz DJKNYMOWROAHKT-UHFFFAOYSA-N 0 0 238.375 2.960 20 70 BFIDRN Cc1ccccc1CN(C)C(=O)[C@@H]1CCCCO1 ZINC000160989259 187301899 /nfs/dbraw/zinc/30/18/99/187301899.db2.gz PYMBXIBTKOVLPC-AWEZNQCLSA-N 0 0 247.338 2.523 20 70 BFIDRN CC1(C)C[C@H]1C(=O)Nc1c(F)cccc1F ZINC000160076684 187301953 /nfs/dbraw/zinc/30/19/53/187301953.db2.gz KMODHNVQIJCWPP-ZETCQYMHSA-N 0 0 225.238 2.949 20 70 BFIDRN COc1cc(NCc2ccn(C)c2)ccc1F ZINC000159972497 345762015 /nfs/dbraw/zinc/76/20/15/345762015.db2.gz WPUCHGUGFUPWLP-UHFFFAOYSA-N 0 0 234.274 2.785 20 70 BFIDRN C[C@@H](Nc1ccc2nccnc2n1)C1CCC1 ZINC000159987392 345771534 /nfs/dbraw/zinc/77/15/34/345771534.db2.gz QJZXFXRXJHSGLM-SECBINFHSA-N 0 0 228.299 2.625 20 70 BFIDRN CCCCOCCN[C@@H](C)c1cscn1 ZINC000161177975 346034672 /nfs/dbraw/zinc/03/46/72/346034672.db2.gz PJDWNAPVDVWXMI-JTQLQIEISA-N 0 0 228.361 2.610 20 70 BFIDRN CC(=O)c1ccc(N2C[C@H](C)C[C@@H]2C)nc1 ZINC000161418550 346185779 /nfs/dbraw/zinc/18/57/79/346185779.db2.gz AFZVTGIWDPKMNL-ZJUUUORDSA-N 0 0 218.300 2.519 20 70 BFIDRN CCCC1(CNC(=O)NCC(C)C)CC1 ZINC000160234989 346358112 /nfs/dbraw/zinc/35/81/12/346358112.db2.gz SGDOGMYCWKJMIS-UHFFFAOYSA-N 0 0 212.337 2.522 20 70 BFIDRN COc1cccnc1N[C@@H]1CC=CCC1 ZINC000160245637 346358530 /nfs/dbraw/zinc/35/85/30/346358530.db2.gz VXXHDKRJSQZCBK-SNVBAGLBSA-N 0 0 204.273 2.611 20 70 BFIDRN COC[C@@H](C)SCCc1c(C)noc1C ZINC000160148201 346442241 /nfs/dbraw/zinc/44/22/41/346442241.db2.gz RHUUMNXZGODNBK-MRVPVSSYSA-N 0 0 229.345 2.602 20 70 BFIDRN Cc1cccc(NC(=O)NCC2CCCC2)n1 ZINC000217570713 179133333 /nfs/dbraw/zinc/13/33/33/179133333.db2.gz FJUBWAGPESAETC-UHFFFAOYSA-N 0 0 233.315 2.702 20 70 BFIDRN CC[C@H](C)OCC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000161014862 323143110 /nfs/dbraw/zinc/14/31/10/323143110.db2.gz NBHVZMWKMSPLDY-NWDGAFQWSA-N 0 0 241.375 2.837 20 70 BFIDRN Cc1ccccc1CC(=O)NCC1(C2CC2)CC1 ZINC000159787947 179257497 /nfs/dbraw/zinc/25/74/97/179257497.db2.gz IHTFRYIEAWHCNH-UHFFFAOYSA-N 0 0 243.350 2.844 20 70 BFIDRN CN(Cc1cccn1C)C(=O)CC1=CCCCC1 ZINC000160811456 349327496 /nfs/dbraw/zinc/32/74/96/349327496.db2.gz XTIYRKBRYOPLCG-UHFFFAOYSA-N 0 0 246.354 2.874 20 70 BFIDRN CC[C@@H](C)C(=O)NCCCSCC(C)C ZINC000160666045 350055139 /nfs/dbraw/zinc/05/51/39/350055139.db2.gz ZDEQZPRRPAJCAS-LLVKDONJSA-N 0 0 231.405 2.928 20 70 BFIDRN CN(C[C@H]1CCCOC1)C(=O)CCC(C)(C)C ZINC000159442027 350224672 /nfs/dbraw/zinc/22/46/72/350224672.db2.gz KLXRVVWLXQNXJV-GFCCVEGCSA-N 0 0 241.375 2.698 20 70 BFIDRN CC[C@H]1CN(C(=O)CCC(C)(C)C)C[C@H](C)O1 ZINC000159775289 350999400 /nfs/dbraw/zinc/99/94/00/350999400.db2.gz DOXHTUFJDZJMMZ-RYUDHWBXSA-N 0 0 241.375 2.839 20 70 BFIDRN C/C=C(/C)C(=O)N(CC(F)(F)F)C1CC1 ZINC000160194978 188334829 /nfs/dbraw/zinc/33/48/29/188334829.db2.gz WGRLGRLASXUVBN-CLTKARDFSA-N 0 0 221.222 2.506 20 70 BFIDRN COCc1ccc(SCCn2ccnc2)cc1 ZINC000160162493 538882213 /nfs/dbraw/zinc/88/22/13/538882213.db2.gz MOVCODPXJFTCDW-UHFFFAOYSA-N 0 0 248.351 2.822 20 70 BFIDRN CCCCNC(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000218001431 134251358 /nfs/dbraw/zinc/25/13/58/134251358.db2.gz GNJFFEYPEGAKKL-VXGBXAGGSA-N 0 0 226.364 2.912 20 70 BFIDRN CC1(C)C[C@@H]1CNC(=O)c1ccncc1Cl ZINC000217708104 134250692 /nfs/dbraw/zinc/25/06/92/134250692.db2.gz UOWBSKNIYRYISS-MRVPVSSYSA-N 0 0 238.718 2.511 20 70 BFIDRN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000160015344 541495551 /nfs/dbraw/zinc/49/55/51/541495551.db2.gz CSHNUCIFYUFXBQ-DVVUODLYSA-N 0 0 235.352 2.898 20 70 BFIDRN CCc1cc(N[C@H](C)C2CCC2)ncn1 ZINC000160065497 541495758 /nfs/dbraw/zinc/49/57/58/541495758.db2.gz CQKPVZYQLUUENH-SECBINFHSA-N 0 0 205.305 2.640 20 70 BFIDRN CCCCn1ncc(C(=O)NC2CCCC2)c1C ZINC000159524250 201683833 /nfs/dbraw/zinc/68/38/33/201683833.db2.gz BZBSYJASQOTHBY-UHFFFAOYSA-N 0 0 249.358 2.664 20 70 BFIDRN CCCNC(=O)c1cc(C)c(F)c(C)c1 ZINC000160945085 169250994 /nfs/dbraw/zinc/25/09/94/169250994.db2.gz ZXBFPBGGSHBSBT-UHFFFAOYSA-N 0 0 209.264 2.582 20 70 BFIDRN CCC[C@@H](C)C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160295347 169347284 /nfs/dbraw/zinc/34/72/84/169347284.db2.gz CJPLBEPMYBQRSN-SNVBAGLBSA-N 0 0 249.310 2.814 20 70 BFIDRN CCC(CC)n1nccc1C(=O)N[C@H](C)CC ZINC000160551855 384180746 /nfs/dbraw/zinc/18/07/46/384180746.db2.gz OQPAARCXOFSVTL-SNVBAGLBSA-N 0 0 237.347 2.773 20 70 BFIDRN CCc1ccc(OC(=O)[C@H]2CCCCO2)cc1 ZINC000159619316 384344712 /nfs/dbraw/zinc/34/47/12/384344712.db2.gz MIRQFCSYIPHXAA-CYBMUJFWSA-N 0 0 234.295 2.724 20 70 BFIDRN CSC[C@H](C)Nc1nc2ccccc2n1C ZINC000160551844 384420495 /nfs/dbraw/zinc/42/04/95/384420495.db2.gz LPNUJAAAXKSQOL-VIFPVBQESA-N 0 0 235.356 2.737 20 70 BFIDRN CCC[C@H]1CCCN(c2ccnc(C)n2)C1 ZINC000160590411 384422590 /nfs/dbraw/zinc/42/25/90/384422590.db2.gz ZJDDTVMVIXJZHO-LBPRGKRZSA-N 0 0 219.332 2.802 20 70 BFIDRN CCc1cc(N[C@@H]2CCOC(C)(C)C2)nc(C)n1 ZINC000159996986 384376427 /nfs/dbraw/zinc/37/64/27/384376427.db2.gz PDSWVLVGXQTGTB-GFCCVEGCSA-N 0 0 249.358 2.717 20 70 BFIDRN CC[C@@H](C)C(=O)N1CCc2c(F)cccc2C1 ZINC000160919740 384445748 /nfs/dbraw/zinc/44/57/48/384445748.db2.gz KDUDUMXNUGKPQN-SNVBAGLBSA-N 0 0 235.302 2.757 20 70 BFIDRN CCC[C@H](C)CC(=O)Nc1cccc(F)n1 ZINC000160911297 384447129 /nfs/dbraw/zinc/44/71/29/384447129.db2.gz OQKPOZSKZDEGAM-VIFPVBQESA-N 0 0 224.279 2.986 20 70 BFIDRN COc1ccc(NC(=O)/C=C/C(C)(C)C)cc1N ZINC000161397063 384484914 /nfs/dbraw/zinc/48/49/14/384484914.db2.gz ZBVUWESXJCOSAQ-BQYQJAHWSA-N 0 0 248.326 2.818 20 70 BFIDRN c1csc(Cn2nc(C3CC3)nc2C2CC2)n1 ZINC000161505942 384497233 /nfs/dbraw/zinc/49/72/33/384497233.db2.gz DFNWAEHIRONIMT-UHFFFAOYSA-N 0 0 246.339 2.538 20 70 BFIDRN CN(Cc1csc(C2CC2)n1)C1CC1 ZINC000161470321 384493577 /nfs/dbraw/zinc/49/35/77/384493577.db2.gz MGMGPFJSXMBNPU-UHFFFAOYSA-N 0 0 208.330 2.615 20 70 BFIDRN COC(=O)[C@@H](C)CS[C@@H]1C=CCCC1 ZINC000161244472 384951812 /nfs/dbraw/zinc/95/18/12/384951812.db2.gz GPONVVSTZMAOCT-VHSXEESVSA-N 0 0 214.330 2.637 20 70 BFIDRN CN(Cc1cccnc1)C(=O)N1CCCCCC1 ZINC000160362144 386180850 /nfs/dbraw/zinc/18/08/50/386180850.db2.gz QNIZDTWYWCFWEY-UHFFFAOYSA-N 0 0 247.342 2.509 20 70 BFIDRN Cc1nc(C)c(C)c(N[C@@H]2CCOC(C)(C)C2)n1 ZINC000160621315 387111541 /nfs/dbraw/zinc/11/15/41/387111541.db2.gz GTRZKXYITFFVTK-GFCCVEGCSA-N 0 0 249.358 2.771 20 70 BFIDRN CCCCNC(=O)c1ccnn1C(CC)CC ZINC000160517574 388072427 /nfs/dbraw/zinc/07/24/27/388072427.db2.gz PPMFKRGYIIZGEU-UHFFFAOYSA-N 0 0 237.347 2.774 20 70 BFIDRN CSC[C@H](C)Nc1nc2ccccc2[nH]1 ZINC000160552097 388074316 /nfs/dbraw/zinc/07/43/16/388074316.db2.gz NWRSETBBZUBFBU-QMMMGPOBSA-N 0 0 221.329 2.726 20 70 BFIDRN CC(C)(C)CC(C)(C)NC(=O)[C@H]1CCCCO1 ZINC000160669182 388082784 /nfs/dbraw/zinc/08/27/84/388082784.db2.gz SWGKNBFNRMDHMB-LLVKDONJSA-N 0 0 241.375 2.887 20 70 BFIDRN C[C@H](CO)SCc1ccc(F)c(F)c1 ZINC000160707374 388085229 /nfs/dbraw/zinc/08/52/29/388085229.db2.gz GHAMJMBQVTWMMI-SSDOTTSWSA-N 0 0 218.268 2.579 20 70 BFIDRN CCC(CC)n1nccc1C(=O)N[C@H](C)C1CC1 ZINC000160781119 388089460 /nfs/dbraw/zinc/08/94/60/388089460.db2.gz GTIVNIIHPDWOHN-SNVBAGLBSA-N 0 0 249.358 2.773 20 70 BFIDRN CCCN(Cc1nccn1C(C)C)CC(F)F ZINC000160885254 388098211 /nfs/dbraw/zinc/09/82/11/388098211.db2.gz KJLMKTNOBDPFIM-UHFFFAOYSA-N 0 0 245.317 2.941 20 70 BFIDRN CS[C@@H]1CCCCN(C(=O)NC(C)(C)C)C1 ZINC000161130592 388541180 /nfs/dbraw/zinc/54/11/80/388541180.db2.gz BJTHWCGCNAIVBJ-SNVBAGLBSA-N 0 0 244.404 2.712 20 70 BFIDRN C[C@@H]1C[C@@H](C)CN(C(=O)NCC2CCCC2)C1 ZINC000217568324 256841373 /nfs/dbraw/zinc/84/13/73/256841373.db2.gz CGZPVDZZSJJBJZ-VXGBXAGGSA-N 0 0 238.375 2.864 20 70 BFIDRN C[C@@H]1C[C@H](C)CN(C(=O)NCC2CCCC2)C1 ZINC000217568397 388570770 /nfs/dbraw/zinc/57/07/70/388570770.db2.gz CGZPVDZZSJJBJZ-TXEJJXNPSA-N 0 0 238.375 2.864 20 70 BFIDRN CCC[C@H](O)CNc1ncc(Cl)cc1Cl ZINC000218001182 388575236 /nfs/dbraw/zinc/57/52/36/388575236.db2.gz TVBFKYCLERYWDM-QMMMGPOBSA-N 0 0 249.141 2.961 20 70 BFIDRN CCc1ncnc(NC[C@H](C)C(C)C)c1F ZINC000218034367 388576169 /nfs/dbraw/zinc/57/61/69/388576169.db2.gz HMRCPHNQBTXKOM-VIFPVBQESA-N 0 0 225.311 2.882 20 70 BFIDRN C[C@@H]1C[C@@H](C)N(C(=O)c2ccc3c(c2)CCN3)C1 ZINC000159503578 134776739 /nfs/dbraw/zinc/77/67/39/134776739.db2.gz BVUIQYCGFDJVKG-GHMZBOCLSA-N 0 0 244.338 2.525 20 70 BFIDRN CC(C)C[C@H](C)NC(=O)N[C@@H]1C=CCCC1 ZINC000160267223 397754843 /nfs/dbraw/zinc/75/48/43/397754843.db2.gz WKGPQKAOMZZOAP-NWDGAFQWSA-N 0 0 224.348 2.829 20 70 BFIDRN O=C(CCC1CCC1)Nc1cccc(F)n1 ZINC000160676533 487598453 /nfs/dbraw/zinc/59/84/53/487598453.db2.gz DSZSTJXQBSTYHY-UHFFFAOYSA-N 0 0 222.263 2.740 20 70 BFIDRN CC(C)OC(=O)NCCCOc1ccccc1 ZINC000160513010 167163506 /nfs/dbraw/zinc/16/35/06/167163506.db2.gz HZANRWXSXJGQDG-UHFFFAOYSA-N 0 0 237.299 2.590 20 70 BFIDRN CC(C)OC(=O)c1ccc(C(F)(F)F)cn1 ZINC000161098287 167171883 /nfs/dbraw/zinc/17/18/83/167171883.db2.gz ZTIOCDMYVAIQSX-UHFFFAOYSA-N 0 0 233.189 2.666 20 70 BFIDRN CC1CCN(C(=O)N2C[C@H](C)CC[C@H]2C)CC1 ZINC000160641546 168173966 /nfs/dbraw/zinc/17/39/66/168173966.db2.gz XRFVANVKQREXME-CHWSQXEVSA-N 0 0 238.375 2.959 20 70 BFIDRN CCC(=CC(=O)N[C@H](C)Cc1cc(C)n[nH]1)CC ZINC000161190178 168195932 /nfs/dbraw/zinc/19/59/32/168195932.db2.gz PVRZAPSPTCPBNJ-SNVBAGLBSA-N 0 0 249.358 2.512 20 70 BFIDRN CCNC(=O)N(CC)[C@@H](CC)c1ccncc1 ZINC000160827527 170072962 /nfs/dbraw/zinc/07/29/62/170072962.db2.gz OGZGFLFSDQTHMY-LBPRGKRZSA-N 0 0 235.331 2.584 20 70 BFIDRN CCSCC[C@@H](C)Nc1ncc(C)cn1 ZINC000160433175 170642229 /nfs/dbraw/zinc/64/22/29/170642229.db2.gz XTUVTTUVSPWBSK-SNVBAGLBSA-N 0 0 225.361 2.729 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000159756308 170991274 /nfs/dbraw/zinc/99/12/74/170991274.db2.gz HAKHNUYUPMPVJH-KOLCDFICSA-N 0 0 236.290 2.529 20 70 BFIDRN CC[C@H](C)CN(C)C(=O)c1cccc2nc[nH]c21 ZINC000159488014 171271610 /nfs/dbraw/zinc/27/16/10/171271610.db2.gz UAWDCXCHPPYIDZ-JTQLQIEISA-N 0 0 245.326 2.681 20 70 BFIDRN CC[C@H](C)NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000161095550 171337524 /nfs/dbraw/zinc/33/75/24/171337524.db2.gz XGLQXZZSMKTJHQ-ZETCQYMHSA-N 0 0 246.232 2.629 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)c1cccnc1 ZINC000159832602 171624483 /nfs/dbraw/zinc/62/44/83/171624483.db2.gz USXBNSHDRDOYEA-OBJOEFQTSA-N 0 0 246.354 2.880 20 70 BFIDRN COC(=O)[C@@H](C)CS[C@H]1C=CCCC1 ZINC000161244242 173676819 /nfs/dbraw/zinc/67/68/19/173676819.db2.gz GPONVVSTZMAOCT-UWVGGRQHSA-N 0 0 214.330 2.637 20 70 BFIDRN COCC(C)(C)C(=O)Nc1cc(C)cc(F)c1 ZINC000160588190 174067436 /nfs/dbraw/zinc/06/74/36/174067436.db2.gz ISJQMPBZNAZLMO-UHFFFAOYSA-N 0 0 239.290 2.745 20 70 BFIDRN COc1cc(N[C@@H]2CCO[C@@H](C)C2)ccc1F ZINC000159968050 175004356 /nfs/dbraw/zinc/00/43/56/175004356.db2.gz FXONAUYTQIEIQK-GXSJLCMTSA-N 0 0 239.290 2.814 20 70 BFIDRN COc1ccc(NC(=O)CCC2CCC2)cc1N ZINC000161295086 175141077 /nfs/dbraw/zinc/14/10/77/175141077.db2.gz RLFDINKCJDYAJR-UHFFFAOYSA-N 0 0 248.326 2.796 20 70 BFIDRN COc1cccc(SCc2ccnn2C)c1 ZINC000161331691 175285553 /nfs/dbraw/zinc/28/55/53/175285553.db2.gz PGAZLRAWCLTDLU-UHFFFAOYSA-N 0 0 234.324 2.721 20 70 BFIDRN COc1ccccc1CN(C)C(=O)OC(C)C ZINC000160388675 175325251 /nfs/dbraw/zinc/32/52/51/175325251.db2.gz PZVTXGMQXLFDDX-UHFFFAOYSA-N 0 0 237.299 2.672 20 70 BFIDRN C/C=C/C=C/C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000159396548 322966195 /nfs/dbraw/zinc/96/61/95/322966195.db2.gz MKCFOSBSQSICCN-YTXTXJHMSA-N 0 0 249.285 2.929 20 70 BFIDRN C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccncc2)C1 ZINC000159519571 323033795 /nfs/dbraw/zinc/03/37/95/323033795.db2.gz XDKSNWQGXDWBLI-TZMCWYRMSA-N 0 0 246.354 2.866 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000159533413 323035933 /nfs/dbraw/zinc/03/59/33/323035933.db2.gz MQCSTXILCHSEEH-UKRRQHHQSA-N 0 0 247.338 2.618 20 70 BFIDRN Cc1ccc(NC(=O)[C@@H]2CCCCO2)cc1F ZINC000159539758 323036060 /nfs/dbraw/zinc/03/60/60/323036060.db2.gz LAOIUGRKXLLMSQ-LBPRGKRZSA-N 0 0 237.274 2.642 20 70 BFIDRN CCC1(CNC(=O)NC[C@H](C)SC)CCC1 ZINC000159552236 323036618 /nfs/dbraw/zinc/03/66/18/323036618.db2.gz ONWJRKARSPMVIX-JTQLQIEISA-N 0 0 244.404 2.617 20 70 BFIDRN Cc1cc(NC(=O)c2cccc(C)c2F)no1 ZINC000159599235 323039985 /nfs/dbraw/zinc/03/99/85/323039985.db2.gz KJHDZYJMSOXIBC-UHFFFAOYSA-N 0 0 234.230 2.683 20 70 BFIDRN CC(C)CCNC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000159657376 323042663 /nfs/dbraw/zinc/04/26/63/323042663.db2.gz JAFIBJKEASBCTD-NWDGAFQWSA-N 0 0 226.364 2.720 20 70 BFIDRN CC1(C(=O)NCCc2cc3ccccc3[nH]2)CC1 ZINC000159689660 323043809 /nfs/dbraw/zinc/04/38/09/323043809.db2.gz DGNDKYXVFSZDEA-UHFFFAOYSA-N 0 0 242.322 2.627 20 70 BFIDRN CN(Cc1ccccn1)c1ccccc1F ZINC000160019114 323057692 /nfs/dbraw/zinc/05/76/92/323057692.db2.gz XHCIWRYMXKWVOB-UHFFFAOYSA-N 0 0 216.259 2.857 20 70 BFIDRN COCc1ccc(C(=O)Nc2ccc(F)cc2)o1 ZINC000160042805 323058354 /nfs/dbraw/zinc/05/83/54/323058354.db2.gz VAUCFEPQZMRBHF-UHFFFAOYSA-N 0 0 249.241 2.817 20 70 BFIDRN Cc1ccc(OCCN(C)C(=O)C2(C)CC2)cc1 ZINC000160063414 323059361 /nfs/dbraw/zinc/05/93/61/323059361.db2.gz AILUJOZMBPACGH-UHFFFAOYSA-N 0 0 247.338 2.632 20 70 BFIDRN Clc1ccc(SCCn2ccnc2)nc1 ZINC000160084040 323060225 /nfs/dbraw/zinc/06/02/25/323060225.db2.gz JIEAEGGKDRFKBS-UHFFFAOYSA-N 0 0 239.731 2.724 20 70 BFIDRN Cc1noc(C)c1CCSCc1ccon1 ZINC000160145604 323061231 /nfs/dbraw/zinc/06/12/31/323061231.db2.gz ZEZORESYDIHCHA-UHFFFAOYSA-N 0 0 238.312 2.755 20 70 BFIDRN Cc1noc(C)c1CCSCC1CC1 ZINC000160156976 323061613 /nfs/dbraw/zinc/06/16/13/323061613.db2.gz BQYLAKADKWUFLS-UHFFFAOYSA-N 0 0 211.330 2.977 20 70 BFIDRN CCC[C@@H](CC)NC(=O)NC1(C)CCC1 ZINC000160251992 323064513 /nfs/dbraw/zinc/06/45/13/323064513.db2.gz YNAHEZHYFFENQN-SNVBAGLBSA-N 0 0 212.337 2.807 20 70 BFIDRN Cc1cscc1C(=O)N(C)Cc1cccn1C ZINC000160501174 323069426 /nfs/dbraw/zinc/06/94/26/323069426.db2.gz XVAIEDIQKCPXSK-UHFFFAOYSA-N 0 0 248.351 2.667 20 70 BFIDRN CC(C)OC(=O)N[C@H]1CCc2ccccc2C1 ZINC000160509782 323069777 /nfs/dbraw/zinc/06/97/77/323069777.db2.gz NWPWXYNUKYDOES-ZDUSSCGKSA-N 0 0 233.311 2.679 20 70 BFIDRN CC[C@@H](NC(=O)c1cc[nH]c1)c1c(C)noc1C ZINC000160559473 323071318 /nfs/dbraw/zinc/07/13/18/323071318.db2.gz PHJRPKQEAMHPNB-LLVKDONJSA-N 0 0 247.298 2.501 20 70 BFIDRN CCC(CC)CNC(=O)N(CC)C(C)C ZINC000160579678 323072730 /nfs/dbraw/zinc/07/27/30/323072730.db2.gz PJNMDZPSAZAAQH-UHFFFAOYSA-N 0 0 214.353 2.863 20 70 BFIDRN CCC(CC)CNC(=O)N(C)[C@@H](C)C1CC1 ZINC000160581413 323072839 /nfs/dbraw/zinc/07/28/39/323072839.db2.gz UVOGVTKDABMXBX-JTQLQIEISA-N 0 0 226.364 2.863 20 70 BFIDRN Cc1ccc([S@](=O)Cc2nccs2)cc1 ZINC000160629433 323073946 /nfs/dbraw/zinc/07/39/46/323073946.db2.gz JVVFLBXFXMXYAQ-HNNXBMFYSA-N 0 0 237.349 2.759 20 70 BFIDRN COCCN(C)C(=O)C[C@@H]1CCCCC1(C)C ZINC000159956888 323075299 /nfs/dbraw/zinc/07/52/99/323075299.db2.gz ZTXANVLDUMEZLU-LBPRGKRZSA-N 0 0 241.375 2.698 20 70 BFIDRN Cc1ccccc1[S@@](=O)Cc1nccs1 ZINC000160657772 323076400 /nfs/dbraw/zinc/07/64/00/323076400.db2.gz HQEFEVYMIJAPPY-OAHLLOKOSA-N 0 0 237.349 2.759 20 70 BFIDRN CC[C@H](C)C(=O)NCCCSCC(C)C ZINC000160666170 323092900 /nfs/dbraw/zinc/09/29/00/323092900.db2.gz ZDEQZPRRPAJCAS-NSHDSACASA-N 0 0 231.405 2.928 20 70 BFIDRN Cc1ccc(C(=O)N(C)Cc2cccn2C)cc1 ZINC000160668777 323101452 /nfs/dbraw/zinc/10/14/52/323101452.db2.gz PPTMJNYHEFDXMX-UHFFFAOYSA-N 0 0 242.322 2.606 20 70 BFIDRN CC[C@H](C)OCC(=O)NCC1CCC(C)CC1 ZINC000160785919 323135467 /nfs/dbraw/zinc/13/54/67/323135467.db2.gz GGUONAJQTWMAHD-CPCZMJQVSA-N 0 0 241.375 2.744 20 70 BFIDRN C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2cccn2C)C1 ZINC000160910207 323138774 /nfs/dbraw/zinc/13/87/74/323138774.db2.gz HOGHRXBCASMZLY-CHWSQXEVSA-N 0 0 248.370 2.810 20 70 BFIDRN CC(C)C[C@@H](C)CC(=O)N[C@@H](CO)CC(C)C ZINC000160912097 323139060 /nfs/dbraw/zinc/13/90/60/323139060.db2.gz BOXYHQGVSJVZAW-CHWSQXEVSA-N 0 0 243.391 2.582 20 70 BFIDRN CC1(NC(=O)NCC2(C)CCCC2)CCC1 ZINC000161018819 323143168 /nfs/dbraw/zinc/14/31/68/323143168.db2.gz XXMWNZYUBGUTTH-UHFFFAOYSA-N 0 0 224.348 2.809 20 70 BFIDRN Cn1cnnc1CSCC1CCCCC1 ZINC000161042496 323144744 /nfs/dbraw/zinc/14/47/44/323144744.db2.gz OXIBDQKYLZVLIQ-UHFFFAOYSA-N 0 0 225.361 2.629 20 70 BFIDRN CS[C@H](C)CC(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000161093767 323146236 /nfs/dbraw/zinc/14/62/36/323146236.db2.gz OBEJZQDDZIMBFE-RTXFEEFZSA-N 0 0 249.379 2.800 20 70 BFIDRN CC(C)C[C@H](CO)NC(=O)C(C)(C)CC(C)C ZINC000161266030 323480359 /nfs/dbraw/zinc/48/03/59/323480359.db2.gz FEIGLPYQNKWTBR-GFCCVEGCSA-N 0 0 243.391 2.582 20 70 BFIDRN COc1ccccc1C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000161397369 323512086 /nfs/dbraw/zinc/51/20/86/323512086.db2.gz LQULLTDDGWUBFL-QWRGUYRKSA-N 0 0 233.311 2.708 20 70 BFIDRN CC(C)CNC(=O)NCCCCc1ccccc1 ZINC000217269578 490439095 /nfs/dbraw/zinc/43/90/95/490439095.db2.gz AOYWKKMBGSDIHO-UHFFFAOYSA-N 0 0 248.370 2.965 20 70 BFIDRN CC1CCN(C(=O)N2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000160730382 535270527 /nfs/dbraw/zinc/27/05/27/535270527.db2.gz DDMCBGSJSPFMTM-CHWSQXEVSA-N 0 0 236.359 2.570 20 70 BFIDRN CC1CCN(C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000160302905 535270835 /nfs/dbraw/zinc/27/08/35/535270835.db2.gz QGJJUXDYIRPYPC-BETUJISGSA-N 0 0 238.375 2.816 20 70 BFIDRN CC/C=C/COC(=O)c1cccc2c1OCO2 ZINC000216655609 592063404 /nfs/dbraw/zinc/06/34/04/592063404.db2.gz ABKNKQTWESMJOJ-ONEGZZNKSA-N 0 0 234.251 2.538 20 70 BFIDRN CO[C@H]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC000216938455 592091186 /nfs/dbraw/zinc/09/11/86/592091186.db2.gz JPBTYVMWHQNYCE-KBPBESRZSA-N 0 0 248.322 2.935 20 70 BFIDRN CC1(C)OC[C@@H](COc2ccccc2Cl)O1 ZINC000217826982 592149377 /nfs/dbraw/zinc/14/93/77/592149377.db2.gz ZCRYRYPPEYWKFQ-SECBINFHSA-N 0 0 242.702 2.870 20 70 BFIDRN C[C@H]1C[C@@H]1C(=O)OC[C@@H]1CC=CC[C@@H]1C ZINC000218546769 592161685 /nfs/dbraw/zinc/16/16/85/592161685.db2.gz ARHZALVZFNAPIS-BJDJZHNGSA-N 0 0 208.301 2.788 20 70 BFIDRN C[C@H](CC(=O)N1CC[C@@H](C)[C@@H]1C)c1ccncc1 ZINC000161246769 538915012 /nfs/dbraw/zinc/91/50/12/538915012.db2.gz PANYLVKIKAHCIK-UPJWGTAASA-N 0 0 246.354 2.832 20 70 BFIDRN Cc1[nH]c2ccccc2c1C(=O)NC1CC=CC1 ZINC000160826636 538913043 /nfs/dbraw/zinc/91/30/43/538913043.db2.gz CCZGLZPGVPBJJG-UHFFFAOYSA-N 0 0 240.306 2.925 20 70 BFIDRN CCc1ccsc1C(=O)NC1CC=CC1 ZINC000161016448 538913828 /nfs/dbraw/zinc/91/38/28/538913828.db2.gz HPRHSYIBYWVIAM-UHFFFAOYSA-N 0 0 221.325 2.759 20 70 BFIDRN Oc1cc(F)cc(CNc2cccnc2)c1 ZINC000159585161 136214464 /nfs/dbraw/zinc/21/44/64/136214464.db2.gz XYODIKUMLVGLDI-UHFFFAOYSA-N 0 0 218.231 2.538 20 70 BFIDRN Cc1cc(F)cc(NC(=O)C(C)(C)F)c1 ZINC000160834401 178078473 /nfs/dbraw/zinc/07/84/73/178078473.db2.gz LWIMSGKEEFCJKP-UHFFFAOYSA-N 0 0 213.227 2.821 20 70 BFIDRN Cc1cccc2c1CCN2CCOCC1CC1 ZINC000159789327 398192602 /nfs/dbraw/zinc/19/26/02/398192602.db2.gz MWCUOBFKAPFOCD-UHFFFAOYSA-N 0 0 231.339 2.784 20 70 BFIDRN COc1ccc(N(C)C(=O)CC(C)C)cc1F ZINC000159798780 323048203 /nfs/dbraw/zinc/04/82/03/323048203.db2.gz PNVNVFQGTRBOTK-UHFFFAOYSA-N 0 0 239.290 2.843 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc(C)n1 ZINC000159881022 323051779 /nfs/dbraw/zinc/05/17/79/323051779.db2.gz FQWVYAVSBSXJKY-ZWNOBZJWSA-N 0 0 218.300 2.765 20 70 BFIDRN Cc1cc(C(=O)NC(C)C)cc(C)c1F ZINC000160411493 323065917 /nfs/dbraw/zinc/06/59/17/323065917.db2.gz ABBOQYICYSLMGD-UHFFFAOYSA-N 0 0 209.264 2.581 20 70 BFIDRN Cc1ccc(OC(=O)[C@@H]2CCCCO2)cc1C ZINC000159509041 178807892 /nfs/dbraw/zinc/80/78/92/178807892.db2.gz NDOZNYZYYXINIQ-ZDUSSCGKSA-N 0 0 234.295 2.778 20 70 BFIDRN CCCCO[C@H](C)C(=O)N[C@H]1CCC[C@@H]1CC ZINC000159589917 345442761 /nfs/dbraw/zinc/44/27/61/345442761.db2.gz IPHRWSWJBWEBTP-AGIUHOORSA-N 0 0 241.375 2.887 20 70 BFIDRN C[C@@H](NC(=O)NCC1(C2CC2)CC1)C(C)(C)C ZINC000159591891 345470381 /nfs/dbraw/zinc/47/03/81/345470381.db2.gz WWZOZHBGGWJOMA-SNVBAGLBSA-N 0 0 238.375 2.910 20 70 BFIDRN O=C(NCc1ccccc1)Nc1cccc(O)c1 ZINC000217278190 345607308 /nfs/dbraw/zinc/60/73/08/345607308.db2.gz KZIXNMBPWYCMNX-UHFFFAOYSA-N 0 0 242.278 2.714 20 70 BFIDRN c1cnn(CSc2nc3ccccc3[nH]2)c1 ZINC000218280491 345744982 /nfs/dbraw/zinc/74/49/82/345744982.db2.gz YFJLLSAZZLJOPB-UHFFFAOYSA-N 0 0 230.296 2.509 20 70 BFIDRN COc1cc(NC[C@@H]2CCCOC2)ccc1F ZINC000160001644 345779071 /nfs/dbraw/zinc/77/90/71/345779071.db2.gz USNPDWGVDYXVHJ-JTQLQIEISA-N 0 0 239.290 2.673 20 70 BFIDRN Cc1cc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000160051305 345790819 /nfs/dbraw/zinc/79/08/19/345790819.db2.gz DDKBMSZXRJBCEA-QWRGUYRKSA-N 0 0 249.314 2.779 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@H]1c1ccco1 ZINC000160114146 345799837 /nfs/dbraw/zinc/79/98/37/345799837.db2.gz AYXJZQGCMBHRJU-VXGBXAGGSA-N 0 0 245.322 2.690 20 70 BFIDRN CC[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1c(C)noc1C ZINC000160677835 537935238 /nfs/dbraw/zinc/93/52/38/537935238.db2.gz QQBPUJJNJPHJRM-XROYCOCOSA-N 0 0 236.315 2.515 20 70 BFIDRN Cc1cccc(C)c1NC(=O)N[C@@]1(C)CCOC1 ZINC000159487218 179042280 /nfs/dbraw/zinc/04/22/80/179042280.db2.gz XTHRLVGKFAXCDJ-AWEZNQCLSA-N 0 0 248.326 2.604 20 70 BFIDRN Cc1ccc(CNC(=O)C2=CCCC2)cc1F ZINC000160246566 346358497 /nfs/dbraw/zinc/35/84/97/346358497.db2.gz GEWTUKDNZRNJRI-UHFFFAOYSA-N 0 0 233.286 2.861 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)c1cc[nH]c1C ZINC000159792663 346430456 /nfs/dbraw/zinc/43/04/56/346430456.db2.gz DIUCOOIFXPIDIZ-ZYHUDNBSSA-N 0 0 220.316 2.632 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)CCc1ccccn1 ZINC000159592542 346425875 /nfs/dbraw/zinc/42/58/75/346425875.db2.gz WEULBBZCJADUKA-OCCSQVGLSA-N 0 0 246.354 2.709 20 70 BFIDRN Cc1cc(C(=O)N(CC(F)F)C2CC2)oc1C ZINC000160100730 346440247 /nfs/dbraw/zinc/44/02/47/346440247.db2.gz ICMIMMUZZIOCOE-UHFFFAOYSA-N 0 0 243.253 2.766 20 70 BFIDRN Cc1cccc(NCc2nnc3n2CCCC3)c1 ZINC000217317321 179151600 /nfs/dbraw/zinc/15/16/00/179151600.db2.gz CDUPLHNTIIZAOQ-UHFFFAOYSA-N 0 0 242.326 2.535 20 70 BFIDRN CCCCCOCC(=O)NCC1(CCC)CC1 ZINC000160815192 323136324 /nfs/dbraw/zinc/13/63/24/323136324.db2.gz ADLQFZVVDVLMBP-UHFFFAOYSA-N 0 0 241.375 2.890 20 70 BFIDRN CCCC1(CNC(=O)C2(C)CCC2)CC1 ZINC000160824951 323136688 /nfs/dbraw/zinc/13/66/88/323136688.db2.gz TZWZHTHQHGIPTL-UHFFFAOYSA-N 0 0 209.333 2.873 20 70 BFIDRN Cc1ncsc1CN[C@H](C)c1cscn1 ZINC000161190927 323169351 /nfs/dbraw/zinc/16/93/51/323169351.db2.gz LSQCMKWJANUXCV-SSDOTTSWSA-N 0 0 239.369 2.759 20 70 BFIDRN COCCn1cc(-c2ccccc2Cl)cn1 ZINC000217848273 490220034 /nfs/dbraw/zinc/22/00/34/490220034.db2.gz SLJYTMYRBGSYPL-UHFFFAOYSA-N 0 0 236.702 2.850 20 70 BFIDRN CC(C)CNC(=O)C1CCC(F)(F)CC1 ZINC000160985881 349351232 /nfs/dbraw/zinc/35/12/32/349351232.db2.gz IYGCXAPSMLVFMM-UHFFFAOYSA-N 0 0 219.275 2.584 20 70 BFIDRN Cc1nc(COC(=O)C2CCC2)c(C)s1 ZINC000159662931 179977430 /nfs/dbraw/zinc/97/74/30/179977430.db2.gz SUIGFGFCZQNBSQ-UHFFFAOYSA-N 0 0 225.313 2.603 20 70 BFIDRN Cc1csc(-c2cccc(C(=O)N(C)C)c2)n1 ZINC000159405554 350110338 /nfs/dbraw/zinc/11/03/38/350110338.db2.gz URIWHWYAVNVUKH-UHFFFAOYSA-N 0 0 246.335 2.820 20 70 BFIDRN CCOC(=O)c1coc(NCC(CC)CC)n1 ZINC000159450939 350239223 /nfs/dbraw/zinc/23/92/23/350239223.db2.gz ZMVOSKYEWCDOPF-UHFFFAOYSA-N 0 0 240.303 2.699 20 70 BFIDRN CCC1(NC(=O)c2cc(C(C)C)on2)CCC1 ZINC000160074177 187641283 /nfs/dbraw/zinc/64/12/83/187641283.db2.gz PQQCSRWKFOFULW-UHFFFAOYSA-N 0 0 236.315 2.861 20 70 BFIDRN CC(C)N(C)C(=O)c1cc(F)cc2cccnc21 ZINC000159363877 188334755 /nfs/dbraw/zinc/33/47/55/188334755.db2.gz POWVNQBUTGKODC-UHFFFAOYSA-N 0 0 246.285 2.854 20 70 BFIDRN COc1cccnc1NC[C@]1(C)CCCS1 ZINC000160254500 355761327 /nfs/dbraw/zinc/76/13/27/355761327.db2.gz CADKGQMHGGPBCX-LBPRGKRZSA-N 0 0 238.356 2.788 20 70 BFIDRN NC(=O)NCC1(c2cccs2)CCCCC1 ZINC000160790938 181258028 /nfs/dbraw/zinc/25/80/28/181258028.db2.gz HBOHNUCWBQZOCK-UHFFFAOYSA-N 0 0 238.356 2.618 20 70 BFIDRN Cc1ccnc(NCCC(=O)OC(C)(C)C)c1 ZINC000218445049 357271797 /nfs/dbraw/zinc/27/17/97/357271797.db2.gz KEKSELFKNGZDBS-UHFFFAOYSA-N 0 0 236.315 2.534 20 70 BFIDRN CCC(C)(CC)C(=O)NCCc1ccncc1C ZINC000159379890 538876767 /nfs/dbraw/zinc/87/67/67/538876767.db2.gz JAUAJDALVXSISI-UHFFFAOYSA-N 0 0 248.370 2.875 20 70 BFIDRN CC[C@@H](C)[C@@H](C)Nc1ncccc1OC ZINC000159468188 538877178 /nfs/dbraw/zinc/87/71/78/538877178.db2.gz WVKNXFBZQGHILS-NXEZZACHSA-N 0 0 208.305 2.937 20 70 BFIDRN COCC(C)(C)NC(=O)C1CCC(C)(C)CC1 ZINC000159896654 538880214 /nfs/dbraw/zinc/88/02/14/538880214.db2.gz RTFAJKAUENGUBV-UHFFFAOYSA-N 0 0 241.375 2.744 20 70 BFIDRN CCc1ncnc(NCCCCSC)c1F ZINC000218025056 134251084 /nfs/dbraw/zinc/25/10/84/134251084.db2.gz JVHDHPXQQHCURL-UHFFFAOYSA-N 0 0 243.351 2.733 20 70 BFIDRN Cc1cccc(OC[C@H]2CCCO2)c1C ZINC000217800564 134250706 /nfs/dbraw/zinc/25/07/06/134250706.db2.gz VKUDXEVBFAGCTA-GFCCVEGCSA-N 0 0 206.285 2.861 20 70 BFIDRN C[C@@H]1CCC[C@H](CNc2cnccn2)C1 ZINC000217920687 134250987 /nfs/dbraw/zinc/25/09/87/134250987.db2.gz OFJOZDFYSZYEJW-MNOVXSKESA-N 0 0 205.305 2.715 20 70 BFIDRN C[C@@H]1CCC[C@@H](CNc2ncccn2)C1 ZINC000217921592 134251031 /nfs/dbraw/zinc/25/10/31/134251031.db2.gz GNRMXCOEERZJLE-GHMZBOCLSA-N 0 0 205.305 2.715 20 70 BFIDRN CCOCCCN(C)c1ccccc1OCC ZINC000159428750 541494275 /nfs/dbraw/zinc/49/42/75/541494275.db2.gz PXLICTFHWIRTGK-UHFFFAOYSA-N 0 0 237.343 2.948 20 70 BFIDRN CCc1cc(N[C@@H](C)C2CCC2)ncn1 ZINC000160065372 541495873 /nfs/dbraw/zinc/49/58/73/541495873.db2.gz CQKPVZYQLUUENH-VIFPVBQESA-N 0 0 205.305 2.640 20 70 BFIDRN O=C(CCc1ccsc1)NCC1(C2CC2)CC1 ZINC000159912006 181937453 /nfs/dbraw/zinc/93/74/53/181937453.db2.gz DYSYUCPXMLRQKR-UHFFFAOYSA-N 0 0 249.379 2.987 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)c1ccc(Cl)o1 ZINC000159764865 182127716 /nfs/dbraw/zinc/12/77/16/182127716.db2.gz LRBYRYSWNCQXJP-UHFFFAOYSA-N 0 0 239.702 2.853 20 70 BFIDRN O=C1NCCCC[C@@H]1SCCc1ccccc1 ZINC000160161574 182797380 /nfs/dbraw/zinc/79/73/80/182797380.db2.gz YTUXMQSPPQOIEG-ZDUSSCGKSA-N 0 0 249.379 2.631 20 70 BFIDRN CCCCn1ncc(Nc2cc(C)ncn2)c1C ZINC000161122664 169039218 /nfs/dbraw/zinc/03/92/18/169039218.db2.gz KRXITZYQBJEMMZ-UHFFFAOYSA-N 0 0 245.330 2.834 20 70 BFIDRN CCC[C@H](C(=O)NCc1ccccn1)C(C)C ZINC000161333151 169466276 /nfs/dbraw/zinc/46/62/76/169466276.db2.gz VNKWCFGRGKAAOT-ZDUSSCGKSA-N 0 0 234.343 2.770 20 70 BFIDRN CCC1(C(=O)Nc2c[nH]c(=O)c(C)c2)CCCC1 ZINC000159386578 384025678 /nfs/dbraw/zinc/02/56/78/384025678.db2.gz TZWNFYACPWLCDW-UHFFFAOYSA-N 0 0 248.326 2.592 20 70 BFIDRN COc1cccnc1N[C@@H]1CCC[C@H]1C ZINC000159469864 384226683 /nfs/dbraw/zinc/22/66/83/384226683.db2.gz OGMJQGCTKTUXQH-NXEZZACHSA-N 0 0 206.289 2.691 20 70 BFIDRN CC1(CNC(=O)NCC2(C3CC3)CC2)CCC1 ZINC000159483643 384275611 /nfs/dbraw/zinc/27/56/11/384275611.db2.gz HSDHLEILTWADJU-UHFFFAOYSA-N 0 0 236.359 2.666 20 70 BFIDRN CCc1cccc(NC(=O)[C@H]2CCCCO2)c1 ZINC000159594819 384343577 /nfs/dbraw/zinc/34/35/77/384343577.db2.gz HWBACVLHSDEPAF-CYBMUJFWSA-N 0 0 233.311 2.757 20 70 BFIDRN Cc1nc(Cl)ccc1C(=O)N(C)CC1CC1 ZINC000159363429 384325569 /nfs/dbraw/zinc/32/55/69/384325569.db2.gz SZCZCEOHBYLTKU-UHFFFAOYSA-N 0 0 238.718 2.525 20 70 BFIDRN CCc1nccn1CC(=O)CCC1CCCC1 ZINC000160486925 384414436 /nfs/dbraw/zinc/41/44/36/384414436.db2.gz XBDUOVRNTKZCRN-UHFFFAOYSA-N 0 0 234.343 2.985 20 70 BFIDRN CC(C)CCC(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160120824 384383777 /nfs/dbraw/zinc/38/37/77/384383777.db2.gz SWYHVUSPPXAQMO-UHFFFAOYSA-N 0 0 249.310 2.814 20 70 BFIDRN CC(C)C(=O)O[C@@H](c1ccccn1)C(F)(F)F ZINC000160109658 384384752 /nfs/dbraw/zinc/38/47/52/384384752.db2.gz CBCRDXZZRWTGFS-VIFPVBQESA-N 0 0 247.216 2.884 20 70 BFIDRN CCCC1(CNC(=O)CCc2ccncc2)CC1 ZINC000160733531 384430532 /nfs/dbraw/zinc/43/05/32/384430532.db2.gz GOXIZNJEWQSKMV-UHFFFAOYSA-N 0 0 246.354 2.711 20 70 BFIDRN CC(C)c1cc(C(=O)Nc2cccc(F)n2)on1 ZINC000160777000 384433993 /nfs/dbraw/zinc/43/39/93/384433993.db2.gz GKOCBECUCDGXLP-UHFFFAOYSA-N 0 0 249.245 2.584 20 70 BFIDRN O=C(C1CCC1)N1CCc2c(F)cccc2C1 ZINC000160783926 384437396 /nfs/dbraw/zinc/43/73/96/384437396.db2.gz RVSQBERPFAFISX-UHFFFAOYSA-N 0 0 233.286 2.511 20 70 BFIDRN COC(=O)c1cccc(OCc2nccs2)c1 ZINC000161153048 384471269 /nfs/dbraw/zinc/47/12/69/384471269.db2.gz ZJEUYMWPXWHFJW-UHFFFAOYSA-N 0 0 249.291 2.509 20 70 BFIDRN CC[C@H](SC)c1nc(C2CCOCC2)no1 ZINC000161347963 384482122 /nfs/dbraw/zinc/48/21/22/384482122.db2.gz BCXZGKOPSNHCNV-VIFPVBQESA-N 0 0 242.344 2.778 20 70 BFIDRN c1sc(C2CC2)nc1CN1CCSCC1 ZINC000161415795 384488195 /nfs/dbraw/zinc/48/81/95/384488195.db2.gz ONHWUHNCLXZWQB-UHFFFAOYSA-N 0 0 240.397 2.569 20 70 BFIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cn[nH]c1 ZINC000161450818 384489854 /nfs/dbraw/zinc/48/98/54/384489854.db2.gz HWZGBDMXDJHDEI-NXEZZACHSA-N 0 0 247.323 2.522 20 70 BFIDRN CC(C)(C)C[C@@H](CO)Nc1ccnc(C2CC2)n1 ZINC000161450753 384490664 /nfs/dbraw/zinc/49/06/64/384490664.db2.gz FWASJAOLLUVIBS-NSHDSACASA-N 0 0 249.358 2.563 20 70 BFIDRN COC[C@H](Nc1ccc(F)c(OC)c1)C1CC1 ZINC000160148406 384638477 /nfs/dbraw/zinc/63/84/77/384638477.db2.gz UDPOWHLFLXMTBJ-LBPRGKRZSA-N 0 0 239.290 2.671 20 70 BFIDRN O=c1ccn(Cc2nccs2)c2ccsc21 ZINC000161375571 384986960 /nfs/dbraw/zinc/98/69/60/384986960.db2.gz YJZUBQMCWVKHQD-UHFFFAOYSA-N 0 0 248.332 2.568 20 70 BFIDRN CC[C@@H](NC(=O)C(C)C)c1c(C)noc1C ZINC000160381887 387085063 /nfs/dbraw/zinc/08/50/63/387085063.db2.gz ZCAHTOLFVJMYQM-SNVBAGLBSA-N 0 0 224.304 2.515 20 70 BFIDRN CCN(C)C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000160541519 387105014 /nfs/dbraw/zinc/10/50/14/387105014.db2.gz MVNAUHQSUJXKRF-JTQLQIEISA-N 0 0 238.306 2.890 20 70 BFIDRN CCO[C@@H](C)c1nccn1CCCSC ZINC000161493719 387232509 /nfs/dbraw/zinc/23/25/09/387232509.db2.gz YGBYWGIFDWCHHU-JTQLQIEISA-N 0 0 228.361 2.734 20 70 BFIDRN CSCCCC(=O)N1[C@H](C)CC[C@@H]1C ZINC000161495763 387232959 /nfs/dbraw/zinc/23/29/59/387232959.db2.gz MXIMPJVIJUPLDA-AOOOYVTPSA-N 0 0 215.362 2.529 20 70 BFIDRN CC1=CCN(C(=O)NC2CCCCC2)CC1 ZINC000160031370 388043915 /nfs/dbraw/zinc/04/39/15/388043915.db2.gz FKNFLPRNWYEHMV-UHFFFAOYSA-N 0 0 222.332 2.681 20 70 BFIDRN CCSCC[C@H](C)Nc1ncc(C)cn1 ZINC000160433287 388065244 /nfs/dbraw/zinc/06/52/44/388065244.db2.gz XTUVTTUVSPWBSK-JTQLQIEISA-N 0 0 225.361 2.729 20 70 BFIDRN CCOCCC1(C(=O)NCCC(C)C)CCC1 ZINC000160554899 388074177 /nfs/dbraw/zinc/07/41/77/388074177.db2.gz GSKPBGKTKLRGOG-UHFFFAOYSA-N 0 0 241.375 2.746 20 70 BFIDRN CCCc1csc(NC[C@H]2CCCO2)n1 ZINC000160639596 388079685 /nfs/dbraw/zinc/07/96/85/388079685.db2.gz FBDFTWKGNAXHLY-SNVBAGLBSA-N 0 0 226.345 2.687 20 70 BFIDRN C[C@H](CO)SCCCOc1ccccc1 ZINC000160707085 388085444 /nfs/dbraw/zinc/08/54/44/388085444.db2.gz CXJGERBIFLNKID-LLVKDONJSA-N 0 0 226.341 2.570 20 70 BFIDRN C[C@H]1C[C@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000161052552 133511802 /nfs/dbraw/zinc/51/18/02/133511802.db2.gz SALCJJJDPNCFMK-BQBZGAKWSA-N 0 0 231.221 2.563 20 70 BFIDRN Cn1cc(NCc2cccc3cc[nH]c32)cn1 ZINC000217996697 134251148 /nfs/dbraw/zinc/25/11/48/134251148.db2.gz RKAAFSKANHCECM-UHFFFAOYSA-N 0 0 226.283 2.514 20 70 BFIDRN CCc1ncnc(NCC2(CC)CC2)c1F ZINC000218059707 134251272 /nfs/dbraw/zinc/25/12/72/134251272.db2.gz SHIPRVLJLNYVAV-UHFFFAOYSA-N 0 0 223.295 2.780 20 70 BFIDRN COC(=O)c1ccc(NCC2(C)CCC2)nc1C ZINC000218060100 134251477 /nfs/dbraw/zinc/25/14/77/134251477.db2.gz SIAXNIHFMMCPIS-UHFFFAOYSA-N 0 0 248.326 2.779 20 70 BFIDRN CCc1ncnc(NCC2(C)CCC2)c1F ZINC000218060320 134251509 /nfs/dbraw/zinc/25/15/09/134251509.db2.gz KXFRPSOHHBNOAS-UHFFFAOYSA-N 0 0 223.295 2.780 20 70 BFIDRN CCc1ncnc(N[C@H](C)C2CCC2)c1F ZINC000218083696 134251710 /nfs/dbraw/zinc/25/17/10/134251710.db2.gz NLJYVINMXYDMBA-MRVPVSSYSA-N 0 0 223.295 2.779 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)CC(F)(F)F ZINC000159524124 134778353 /nfs/dbraw/zinc/77/83/53/134778353.db2.gz DGOHHXCEAOYATC-HTQZYQBOSA-N 0 0 223.238 2.634 20 70 BFIDRN c1nc2ccccn2c1CN1Cc2ccccc2C1 ZINC000160154923 134800176 /nfs/dbraw/zinc/80/01/76/134800176.db2.gz UMMRKZJKQXHHCP-UHFFFAOYSA-N 0 0 249.317 2.850 20 70 BFIDRN CC(C)C[C@@H](C)NC(=O)N[C@@H]1C=CCCC1 ZINC000160267090 397754295 /nfs/dbraw/zinc/75/42/95/397754295.db2.gz WKGPQKAOMZZOAP-VXGBXAGGSA-N 0 0 224.348 2.829 20 70 BFIDRN Cc1cc(C(=O)N(C)c2cccc(C)n2)oc1C ZINC000160974082 397773049 /nfs/dbraw/zinc/77/30/49/397773049.db2.gz WHKOFBRAYTURDF-UHFFFAOYSA-N 0 0 244.294 2.876 20 70 BFIDRN CC(C)[C@@H](C)CC(=O)Nc1cccc(F)n1 ZINC000160830618 167357842 /nfs/dbraw/zinc/35/78/42/167357842.db2.gz BLJXKXDUELNVIV-VIFPVBQESA-N 0 0 224.279 2.841 20 70 BFIDRN CC(C)c1nccc(N[C@H]2CCOC(C)(C)C2)n1 ZINC000160659205 167688366 /nfs/dbraw/zinc/68/83/66/167688366.db2.gz PNRRCUOLTCYVEG-NSHDSACASA-N 0 0 249.358 2.970 20 70 BFIDRN CC1(C)C[C@@H]1C(=O)N1CCc2c(F)cccc2C1 ZINC000161041449 167982300 /nfs/dbraw/zinc/98/23/00/167982300.db2.gz ZASRLGANIJMMNH-GFCCVEGCSA-N 0 0 247.313 2.757 20 70 BFIDRN CC1(Nc2c(F)c(F)nc(F)c2F)CCC1 ZINC000159976481 168063758 /nfs/dbraw/zinc/06/37/58/168063758.db2.gz RRXXZCIOWQLKAG-UHFFFAOYSA-N 0 0 234.196 2.993 20 70 BFIDRN CC1=CCN(C(=O)c2ccccc2F)CC1 ZINC000160198844 168108719 /nfs/dbraw/zinc/10/87/19/168108719.db2.gz IMVXFEMCJBKDJH-UHFFFAOYSA-N 0 0 219.259 2.618 20 70 BFIDRN CC1CC(Nc2ccc(C(F)(F)F)nn2)C1 ZINC000161055927 168148241 /nfs/dbraw/zinc/14/82/41/168148241.db2.gz DEUDFWWZVOMBGF-UHFFFAOYSA-N 0 0 231.221 2.706 20 70 BFIDRN CC1CCN(C(=O)N2Cc3ccccc3C2)CC1 ZINC000160509244 168173989 /nfs/dbraw/zinc/17/39/89/168173989.db2.gz ZKDYKXVMGGAUKL-UHFFFAOYSA-N 0 0 244.338 2.854 20 70 BFIDRN CC1CCN(C(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000160641406 168174115 /nfs/dbraw/zinc/17/41/15/168174115.db2.gz XRFVANVKQREXME-STQMWFEESA-N 0 0 238.375 2.959 20 70 BFIDRN CCC(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000159928761 168212444 /nfs/dbraw/zinc/21/24/44/168212444.db2.gz PHIBXFXAMZFSQA-UHFFFAOYSA-N 0 0 227.691 2.721 20 70 BFIDRN CCOC(C)(C)CNc1nc2ccccc2[nH]1 ZINC000159542491 170314648 /nfs/dbraw/zinc/31/46/48/170314648.db2.gz PCCCEUIBWDUOFX-UHFFFAOYSA-N 0 0 233.315 2.790 20 70 BFIDRN CCSCc1ccc(C(=O)OC)s1 ZINC000159722392 170644704 /nfs/dbraw/zinc/64/47/04/170644704.db2.gz NJCPUVKUDYWBOX-UHFFFAOYSA-N 0 0 216.327 2.788 20 70 BFIDRN CC[C@@H]1CC[C@H](C)N1C(=O)NCC(F)(F)F ZINC000161488050 171051352 /nfs/dbraw/zinc/05/13/52/171051352.db2.gz HHBPPBNUYOXTRR-JGVFFNPUSA-N 0 0 238.253 2.521 20 70 BFIDRN CCc1ccccc1C(=O)N1CCO[C@H](CC)C1 ZINC000161227847 171871137 /nfs/dbraw/zinc/87/11/37/171871137.db2.gz MZBHTSVXEBCPRM-CYBMUJFWSA-N 0 0 247.338 2.500 20 70 BFIDRN CCc1ncnc(NC2(C)CCC2)c1F ZINC000218082669 172032063 /nfs/dbraw/zinc/03/20/63/172032063.db2.gz NRGZYYKXRHIZLZ-UHFFFAOYSA-N 0 0 209.268 2.533 20 70 BFIDRN CCc1noc(C)c1CS[C@H](C)COC ZINC000159818287 172080692 /nfs/dbraw/zinc/08/06/92/172080692.db2.gz WQQHVIGJEJUVJD-MRVPVSSYSA-N 0 0 229.345 2.814 20 70 BFIDRN COCCCCCSc1ccncc1 ZINC000159872605 174186333 /nfs/dbraw/zinc/18/63/33/174186333.db2.gz RSMNKZQGQIHLDK-UHFFFAOYSA-N 0 0 211.330 2.990 20 70 BFIDRN COc1cc(NC[C@@H]2CCC=CO2)ccc1F ZINC000159950829 175002565 /nfs/dbraw/zinc/00/25/65/175002565.db2.gz OGTLTRSTOMEKHV-NSHDSACASA-N 0 0 237.274 2.939 20 70 BFIDRN COc1ccc(N(C)C(=O)C2CCC2)cc1F ZINC000159798272 175135037 /nfs/dbraw/zinc/13/50/37/175135037.db2.gz AQBHXEZTYAZZLK-UHFFFAOYSA-N 0 0 237.274 2.597 20 70 BFIDRN COc1ccc(N(C)C(=O)C=C2CCC2)cc1F ZINC000159531229 175135514 /nfs/dbraw/zinc/13/55/14/175135514.db2.gz XTMOEXYDFIYYPP-UHFFFAOYSA-N 0 0 249.285 2.907 20 70 BFIDRN C[C@@H]1CCCN(C(=O)N(C)Cc2ccccc2)C1 ZINC000160304749 176092530 /nfs/dbraw/zinc/09/25/30/176092530.db2.gz JSAKJYZGBIDLIT-CYBMUJFWSA-N 0 0 246.354 2.970 20 70 BFIDRN C[C@@H]1CC[C@@H](C)N1c1ccnc(C2CC2)n1 ZINC000161389280 176200020 /nfs/dbraw/zinc/20/00/20/176200020.db2.gz UIJXACKGJJCTAW-NXEZZACHSA-N 0 0 217.316 2.731 20 70 BFIDRN C[C@H](CO)SCCOc1ccc(Cl)cc1 ZINC000160773729 176708629 /nfs/dbraw/zinc/70/86/29/176708629.db2.gz ZJMGUCOEGSEQKH-SECBINFHSA-N 0 0 246.759 2.833 20 70 BFIDRN Cc1cc(NC(=O)CC2CCCCC2)c[nH]c1=O ZINC000159408454 322966808 /nfs/dbraw/zinc/96/68/08/322966808.db2.gz WMZPEGVDCAMPIA-UHFFFAOYSA-N 0 0 248.326 2.592 20 70 BFIDRN CC[C@@H](C)OCC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000159433643 322968693 /nfs/dbraw/zinc/96/86/93/322968693.db2.gz ARDPTLWFAPNUPY-OLZOCXBDSA-N 0 0 241.375 2.696 20 70 BFIDRN CC[C@H](C)OCC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000159433766 322968718 /nfs/dbraw/zinc/96/87/18/322968718.db2.gz ARDPTLWFAPNUPY-STQMWFEESA-N 0 0 241.375 2.696 20 70 BFIDRN CC(C)C[C@H](C)NC(=O)NCC1(C)CCC1 ZINC000159476967 322970286 /nfs/dbraw/zinc/97/02/86/322970286.db2.gz NUIHQGXOXYYVGS-NSHDSACASA-N 0 0 226.364 2.910 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000159533702 323035907 /nfs/dbraw/zinc/03/59/07/323035907.db2.gz MQCSTXILCHSEEH-DZGCQCFKSA-N 0 0 247.338 2.618 20 70 BFIDRN CCc1oc(C(=O)Nc2cc(C)on2)cc1C ZINC000159599102 323039923 /nfs/dbraw/zinc/03/99/23/323039923.db2.gz RWYRDHYXWBVLDT-UHFFFAOYSA-N 0 0 234.255 2.699 20 70 BFIDRN COc1ccc(N(C)C(=O)C(C)(C)C)cc1F ZINC000159601353 323040069 /nfs/dbraw/zinc/04/00/69/323040069.db2.gz JIICIYRXKZDPKW-UHFFFAOYSA-N 0 0 239.290 2.843 20 70 BFIDRN CCCCCN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000159709811 323044373 /nfs/dbraw/zinc/04/43/73/323044373.db2.gz ZDYIYDCQHGOZJL-AWEZNQCLSA-N 0 0 239.359 2.988 20 70 BFIDRN CC[C@H](c1ccncc1)N(C)C(=O)N(CC)CC ZINC000159741244 323045973 /nfs/dbraw/zinc/04/59/73/323045973.db2.gz UPZDIKRYCSJLOT-CYBMUJFWSA-N 0 0 249.358 2.926 20 70 BFIDRN CCC[C@H](C)C(=O)NCC1(C2CC2)CC1 ZINC000159779272 323047655 /nfs/dbraw/zinc/04/76/55/323047655.db2.gz WHRGOSZPQLCGOA-JTQLQIEISA-N 0 0 209.333 2.729 20 70 BFIDRN CCCC1(CNC(=O)NCC2CC2)CCC1 ZINC000159816861 323049302 /nfs/dbraw/zinc/04/93/02/323049302.db2.gz AYLQSCQPVPIPQO-UHFFFAOYSA-N 0 0 224.348 2.666 20 70 BFIDRN Cc1nc(NC(=O)C(C)(C)C)cc(C2CC2)n1 ZINC000159856429 323050785 /nfs/dbraw/zinc/05/07/85/323050785.db2.gz HEBSKHPCVJLMPL-UHFFFAOYSA-N 0 0 233.315 2.647 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(C)ccn1 ZINC000159874761 323051497 /nfs/dbraw/zinc/05/14/97/323051497.db2.gz XTDZZCJUODNGCJ-ZWNOBZJWSA-N 0 0 218.300 2.765 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C)cn1 ZINC000159883084 323052022 /nfs/dbraw/zinc/05/20/22/323052022.db2.gz MQGNSXGSQBUINW-GXFFZTMASA-N 0 0 218.300 2.765 20 70 BFIDRN CC[C@@H](C)[C@H](C)NC(=O)NC1(C)CCC1 ZINC000159970377 323055913 /nfs/dbraw/zinc/05/59/13/323055913.db2.gz KKSXVJOTMMDGQV-ZJUUUORDSA-N 0 0 212.337 2.663 20 70 BFIDRN C/C=C/C=C/C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000159963446 323055996 /nfs/dbraw/zinc/05/59/96/323055996.db2.gz UCAOEDWUODFVNB-VNKDHWASSA-N 0 0 243.310 2.733 20 70 BFIDRN CC1(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000159998313 323057175 /nfs/dbraw/zinc/05/71/75/323057175.db2.gz GUNMJACJPLWXCV-OLZOCXBDSA-N 0 0 244.338 2.784 20 70 BFIDRN CCCCCC(=O)NCC1(C2CC2)CC1 ZINC000159997219 323057238 /nfs/dbraw/zinc/05/72/38/323057238.db2.gz AJLZFHCAJHGHKH-UHFFFAOYSA-N 0 0 209.333 2.873 20 70 BFIDRN CNC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000160003069 323057492 /nfs/dbraw/zinc/05/74/92/323057492.db2.gz ZIANHUZPQIZVDN-CHWSQXEVSA-N 0 0 241.375 2.888 20 70 BFIDRN CC[C@H](C)C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000160152068 323061533 /nfs/dbraw/zinc/06/15/33/323061533.db2.gz LOKFMQKOXIVBQE-GXFFZTMASA-N 0 0 247.338 2.845 20 70 BFIDRN Cc1noc(C)c1CCSCCCF ZINC000160157271 323061692 /nfs/dbraw/zinc/06/16/92/323061692.db2.gz FGDJOXNVZZDEBN-UHFFFAOYSA-N 0 0 217.309 2.927 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000160172477 323062756 /nfs/dbraw/zinc/06/27/56/323062756.db2.gz RJQPLPBUUHCXGG-ZFWWWQNUSA-N 0 0 249.329 2.921 20 70 BFIDRN CC[C@H](NC(=O)C1=CCCC1)c1c(C)noc1C ZINC000160212137 323064119 /nfs/dbraw/zinc/06/41/19/323064119.db2.gz ZLVXSHBFLRQESJ-LBPRGKRZSA-N 0 0 248.326 2.969 20 70 BFIDRN CCNC(=O)N1CCC(CCC(C)C)CC1 ZINC000160249597 323064522 /nfs/dbraw/zinc/06/45/22/323064522.db2.gz OHRCQQFLBSUHOA-UHFFFAOYSA-N 0 0 226.364 2.864 20 70 BFIDRN Cc1cc(C(=O)NCc2ccco2)cc(C)c1F ZINC000160434411 323066401 /nfs/dbraw/zinc/06/64/01/323066401.db2.gz MEHGXLDIJQBCJP-UHFFFAOYSA-N 0 0 247.269 2.966 20 70 BFIDRN Cc1cc(C)c(C(=O)N(C)Cc2cccn2C)o1 ZINC000160583765 323073110 /nfs/dbraw/zinc/07/31/10/323073110.db2.gz JATVMEZIXNKYKX-UHFFFAOYSA-N 0 0 246.310 2.507 20 70 BFIDRN CC(C)c1ccc(C(=O)Nc2cccnc2)cn1 ZINC000160596982 323073334 /nfs/dbraw/zinc/07/33/34/323073334.db2.gz GKPDYSSPDIWFJB-UHFFFAOYSA-N 0 0 241.294 2.852 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C)cn1 ZINC000159882963 323075282 /nfs/dbraw/zinc/07/52/82/323075282.db2.gz MQGNSXGSQBUINW-MFKMUULPSA-N 0 0 218.300 2.765 20 70 BFIDRN Cn1ccnc1CN1CCCc2cc(F)ccc21 ZINC000160777665 323134771 /nfs/dbraw/zinc/13/47/71/323134771.db2.gz QSBKDAOYSHZKCV-UHFFFAOYSA-N 0 0 245.301 2.512 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000160818306 323136265 /nfs/dbraw/zinc/13/62/65/323136265.db2.gz MRQQSFDOWSNPDL-QMTHXVAHSA-N 0 0 243.310 2.938 20 70 BFIDRN C[C@H]1CCN(C(=O)Nc2cccnc2)C[C@H](C)C1 ZINC000160818672 323136362 /nfs/dbraw/zinc/13/63/62/323136362.db2.gz OKMNBLQCWIRYMU-NWDGAFQWSA-N 0 0 247.342 2.982 20 70 BFIDRN C[C@@H]1CCC[C@H](C(=O)N(C)Cc2cccn2C)C1 ZINC000160909950 323138883 /nfs/dbraw/zinc/13/88/83/323138883.db2.gz HOGHRXBCASMZLY-OLZOCXBDSA-N 0 0 248.370 2.810 20 70 BFIDRN Cc1nnc(CSc2ccccc2C)n1C ZINC000161033702 323144096 /nfs/dbraw/zinc/14/40/96/323144096.db2.gz HNFTXGUHGXCNJO-UHFFFAOYSA-N 0 0 233.340 2.724 20 70 BFIDRN Cn1nccc1CSc1ccc(F)cc1 ZINC000161173716 323149974 /nfs/dbraw/zinc/14/99/74/323149974.db2.gz OGVMOXXQUBENOB-UHFFFAOYSA-N 0 0 222.288 2.852 20 70 BFIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C)COC ZINC000161310460 323494303 /nfs/dbraw/zinc/49/43/03/323494303.db2.gz FEXOGGXGBOYIDL-XQQFMLRXSA-N 0 0 241.375 2.696 20 70 BFIDRN Cc1cccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c1O ZINC000161397762 323511823 /nfs/dbraw/zinc/51/18/23/323511823.db2.gz AVOBGAWTBQOCHL-QWRGUYRKSA-N 0 0 233.311 2.714 20 70 BFIDRN CC(C)c1nsc(NC[C@@H]2C[C@H]2C)n1 ZINC000161409908 323512983 /nfs/dbraw/zinc/51/29/83/323512983.db2.gz JDNBCTUNFDVJKB-SFYZADRCSA-N 0 0 211.334 2.729 20 70 BFIDRN CCc1ccccc1CNC(=O)NC1(C)CCC1 ZINC000161459165 323521418 /nfs/dbraw/zinc/52/14/18/323521418.db2.gz QHCMWHAXLKTFTD-UHFFFAOYSA-N 0 0 246.354 2.991 20 70 BFIDRN Cc1ccc(NC(=O)N[C@H](C)C(C)(C)C)cn1 ZINC000161459830 487498379 /nfs/dbraw/zinc/49/83/79/487498379.db2.gz QUDBHNHKKZTIMX-SNVBAGLBSA-N 0 0 235.331 2.946 20 70 BFIDRN CN(c1cc(Cl)nc(C2CC2)n1)C1CCC1 ZINC000161055406 490521968 /nfs/dbraw/zinc/52/19/68/490521968.db2.gz MCEAVQCRQHLGIA-UHFFFAOYSA-N 0 0 237.734 2.996 20 70 BFIDRN Cc1cccc(CN2CCC(F)(F)CC2)n1 ZINC000218639516 491127071 /nfs/dbraw/zinc/12/70/71/491127071.db2.gz OKRWPXYVNKOCNJ-UHFFFAOYSA-N 0 0 226.270 2.621 20 70 BFIDRN CN(C(=O)N1CCCCC1)c1ccc(F)cc1 ZINC000160481764 536016342 /nfs/dbraw/zinc/01/63/42/536016342.db2.gz DLWXFKVLBVPPLN-UHFFFAOYSA-N 0 0 236.290 2.868 20 70 BFIDRN CC(C)(C)c1nc(CSCCCF)no1 ZINC000161474242 534901916 /nfs/dbraw/zinc/90/19/16/534901916.db2.gz HMCKZILTEHVROD-UHFFFAOYSA-N 0 0 232.324 2.960 20 70 BFIDRN CC1CCN(C(=O)N2CCC[C@H](C)[C@@H]2C)CC1 ZINC000160506255 535270814 /nfs/dbraw/zinc/27/08/14/535270814.db2.gz ADJYAVKSNZXZNI-STQMWFEESA-N 0 0 238.375 2.959 20 70 BFIDRN CCOCCC1(CNC(=O)[C@H](C)CC)CCC1 ZINC000160764410 535482823 /nfs/dbraw/zinc/48/28/23/535482823.db2.gz HCBIRGDPBHHRNE-GFCCVEGCSA-N 0 0 241.375 2.746 20 70 BFIDRN Cc1nc(NC(=O)CC2CCC2)cc(C2CC2)n1 ZINC000160297385 538101600 /nfs/dbraw/zinc/10/16/00/538101600.db2.gz TUCNJULSDLAXKL-UHFFFAOYSA-N 0 0 245.326 2.791 20 70 BFIDRN Cc1nc(C)c(CNc2ccccc2)o1 ZINC000159423875 566450435 /nfs/dbraw/zinc/45/04/35/566450435.db2.gz SHXANQUAJSYHSH-UHFFFAOYSA-N 0 0 202.257 2.904 20 70 BFIDRN COc1cccnc1NCC1CCCC1 ZINC000159456213 585025568 /nfs/dbraw/zinc/02/55/68/585025568.db2.gz JEOVQFDKQXUOJC-UHFFFAOYSA-N 0 0 206.289 2.692 20 70 BFIDRN Cc1nccc(NC(=O)N(C)C(C)C)c1Cl ZINC000159372645 585025581 /nfs/dbraw/zinc/02/55/81/585025581.db2.gz XNDCEACIZUSFTQ-UHFFFAOYSA-N 0 0 241.722 2.916 20 70 BFIDRN CC[C@H](CSC)Nc1ccc(Cl)nn1 ZINC000217384651 589471110 /nfs/dbraw/zinc/47/11/10/589471110.db2.gz ZVIGMNGNWSHSIG-SSDOTTSWSA-N 0 0 231.752 2.684 20 70 BFIDRN CC[C@@H](C)OC(=O)c1cc(F)cnc1Cl ZINC000218158292 592152224 /nfs/dbraw/zinc/15/22/24/592152224.db2.gz KUPSROMGVLOBCF-ZCFIWIBFSA-N 0 0 231.654 2.829 20 70 BFIDRN C[C@H](CC(=O)N1CC[C@H](C)[C@@H]1C)c1ccncc1 ZINC000161246933 538914863 /nfs/dbraw/zinc/91/48/63/538914863.db2.gz PANYLVKIKAHCIK-XQQFMLRXSA-N 0 0 246.354 2.832 20 70 BFIDRN COc1cc(C)sc1C(=O)NC1CC=CC1 ZINC000160846461 538913062 /nfs/dbraw/zinc/91/30/62/538913062.db2.gz DXBUCBWVDCWBCU-UHFFFAOYSA-N 0 0 237.324 2.514 20 70 BFIDRN CCn1c(C)cc(C(=O)NC2CC=CC2)c1C ZINC000160873951 538913263 /nfs/dbraw/zinc/91/32/63/538913263.db2.gz ZBAOWMUWVAPOTM-UHFFFAOYSA-N 0 0 232.327 2.573 20 70 BFIDRN CC(C)Oc1ccccc1C(=O)NC1CC=CC1 ZINC000161010685 538913649 /nfs/dbraw/zinc/91/36/49/538913649.db2.gz RCLYVGJCDPFWBJ-UHFFFAOYSA-N 0 0 245.322 2.922 20 70 BFIDRN O=C(NC1CC=CC1)C1(c2ccccc2)CCC1 ZINC000161078069 538914107 /nfs/dbraw/zinc/91/41/07/538914107.db2.gz JJDNGJLUJMGCLJ-UHFFFAOYSA-N 0 0 241.334 2.943 20 70 BFIDRN COC[C@H](C)Sc1nncc2ccccc21 ZINC000160237100 398343561 /nfs/dbraw/zinc/34/35/61/398343561.db2.gz JFGFNXOCCDBAIJ-VIFPVBQESA-N 0 0 234.324 2.757 20 70 BFIDRN CCCCCOc1cc(C(N)=O)ccc1C ZINC000159663733 323043354 /nfs/dbraw/zinc/04/33/54/323043354.db2.gz JFNLBNJEBRWERO-UHFFFAOYSA-N 0 0 221.300 2.663 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)NCCc1cccs1 ZINC000159786908 323047725 /nfs/dbraw/zinc/04/77/25/323047725.db2.gz BVGASIVVBOGNKZ-AAEUAGOBSA-N 0 0 237.368 2.843 20 70 BFIDRN CC1CCC(N(C)C(=O)[C@@H]2CCCCO2)CC1 ZINC000160132430 323061051 /nfs/dbraw/zinc/06/10/51/323061051.db2.gz XYMUMCXNMQCNOZ-BPCQOVAHSA-N 0 0 239.359 2.593 20 70 BFIDRN CCC1CCN(C(=O)C[C@@H](C)SC)CC1 ZINC000160549983 323071022 /nfs/dbraw/zinc/07/10/22/323071022.db2.gz AMFIUYXUFAMHED-SNVBAGLBSA-N 0 0 229.389 2.777 20 70 BFIDRN CC1(C)CCC(=CC(=O)NCC(F)F)CC1 ZINC000159419299 187301300 /nfs/dbraw/zinc/30/13/00/187301300.db2.gz KCYHGAQKWZAOJI-UHFFFAOYSA-N 0 0 231.286 2.894 20 70 BFIDRN C[C@@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)CCN3)C1 ZINC000159503294 345439166 /nfs/dbraw/zinc/43/91/66/345439166.db2.gz BVUIQYCGFDJVKG-MNOVXSKESA-N 0 0 244.338 2.525 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)C1CC1 ZINC000159540302 345441615 /nfs/dbraw/zinc/44/16/15/345441615.db2.gz FFVVPJNIEQMGPO-UMNHJUIQSA-N 0 0 209.333 2.727 20 70 BFIDRN Cc1nc(NC(=O)CC(C)C)cc(C2CC2)n1 ZINC000159962598 345742784 /nfs/dbraw/zinc/74/27/84/345742784.db2.gz OUPNVZRIRCVWOB-UHFFFAOYSA-N 0 0 233.315 2.647 20 70 BFIDRN Cc1cc(N[C@@H]2CCc3ccccc32)ncn1 ZINC000217828863 345744255 /nfs/dbraw/zinc/74/42/55/345744255.db2.gz VGCXOVAJGYVZST-CYBMUJFWSA-N 0 0 225.295 2.884 20 70 BFIDRN CCC[C@H](C(=O)N[C@H](CO)CC(C)C)C(C)C ZINC000160674893 323102424 /nfs/dbraw/zinc/10/24/24/323102424.db2.gz SJKZPWZOQQERMC-STQMWFEESA-N 0 0 243.391 2.582 20 70 BFIDRN CCc1nc(NC(=O)[C@@H]2CC2(C)C)sc1C ZINC000159609384 346215467 /nfs/dbraw/zinc/21/54/67/346215467.db2.gz IQTBVLONCQPNLU-QMMMGPOBSA-N 0 0 238.356 2.999 20 70 BFIDRN Cc1cccc(C(=O)NC2(C)CCC2)c1F ZINC000160017266 179014980 /nfs/dbraw/zinc/01/49/80/179014980.db2.gz JGGSYTGBSVBGKC-UHFFFAOYSA-N 0 0 221.275 2.807 20 70 BFIDRN Cc1cccc(C)c1CS[C@H](C)CO ZINC000160744438 179039138 /nfs/dbraw/zinc/03/91/38/179039138.db2.gz KZLAVSYWGBVJLX-LLVKDONJSA-N 0 0 210.342 2.917 20 70 BFIDRN Cc1ccccc1C(=O)NCC1(C2CC2)CC1 ZINC000160153744 179250046 /nfs/dbraw/zinc/25/00/46/179250046.db2.gz LKSYBRCLHINOLT-UHFFFAOYSA-N 0 0 229.323 2.915 20 70 BFIDRN Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCCO1 ZINC000159964206 179319665 /nfs/dbraw/zinc/31/96/65/179319665.db2.gz SETPBXOBIPEQEW-OCCSQVGLSA-N 0 0 247.338 2.741 20 70 BFIDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)[NH3+] ZINC000159692649 179340629 /nfs/dbraw/zinc/34/06/29/179340629.db2.gz BCEPWEUUEMNWMX-OCCSQVGLSA-N 0 0 248.370 2.546 20 70 BFIDRN CC1CCC(CNC(=O)[C@@H]2CC2(C)C)CC1 ZINC000160786506 349319456 /nfs/dbraw/zinc/31/94/56/349319456.db2.gz JBBBDRUNQNYQKX-MCIGGMRASA-N 0 0 223.360 2.975 20 70 BFIDRN CC(C)CNC(=O)Nc1cc(Cl)ccn1 ZINC000217269575 350046930 /nfs/dbraw/zinc/04/69/30/350046930.db2.gz SLYCBGPSJXSDQS-UHFFFAOYSA-N 0 0 227.695 2.513 20 70 BFIDRN Cc1nccn1CC(=O)CCC1CCCC1 ZINC000160485237 180229713 /nfs/dbraw/zinc/22/97/13/180229713.db2.gz PUXAKSGBVASELY-UHFFFAOYSA-N 0 0 220.316 2.731 20 70 BFIDRN Cc1ccc(CC(=O)NCC2(C3CC3)CC2)s1 ZINC000159801297 191117472 /nfs/dbraw/zinc/11/74/72/191117472.db2.gz GKOBLLZQESDASH-UHFFFAOYSA-N 0 0 249.379 2.905 20 70 BFIDRN O=C(Cc1cncs1)c1cccs1 ZINC000159687662 350973346 /nfs/dbraw/zinc/97/33/46/350973346.db2.gz MVMHPGMCFIVPBU-UHFFFAOYSA-N 0 0 209.295 2.630 20 70 BFIDRN COc1ccc(CCOc2ccncc2)cc1 ZINC000216794345 363124995 /nfs/dbraw/zinc/12/49/95/363124995.db2.gz KIMUJDONOHYNAQ-UHFFFAOYSA-N 0 0 229.279 2.712 20 70 BFIDRN CCOCCCSCCc1c(C)noc1C ZINC000160146437 353307258 /nfs/dbraw/zinc/30/72/58/353307258.db2.gz ZRKWUIMZEDCOAU-UHFFFAOYSA-N 0 0 243.372 2.994 20 70 BFIDRN Cc1cc(NC(=O)CC2=CCCCC2)c[nH]c1=O ZINC000159367828 538876755 /nfs/dbraw/zinc/87/67/55/538876755.db2.gz HFBPXOQPJKOWMO-UHFFFAOYSA-N 0 0 246.310 2.512 20 70 BFIDRN CC1(NC(=O)NC[C@@H]2Cc3ccccc32)CCC1 ZINC000159889204 538880111 /nfs/dbraw/zinc/88/01/11/538880111.db2.gz YKCZELVSIFRVMR-LBPRGKRZSA-N 0 0 244.338 2.568 20 70 BFIDRN CC(C)OC(=O)[C@@H]1CCc2ccccc2C1 ZINC000217804711 357911309 /nfs/dbraw/zinc/91/13/09/357911309.db2.gz ZAGKQGNXZSQYNN-CYBMUJFWSA-N 0 0 218.296 2.743 20 70 BFIDRN CCCCCNC(=O)NCCc1ccccc1 ZINC000217304787 134246623 /nfs/dbraw/zinc/24/66/23/134246623.db2.gz XMBVXBBAJJNMPB-UHFFFAOYSA-N 0 0 234.343 2.719 20 70 BFIDRN CCc1ncnc(N[C@@H]2CCC[C@@H]2C)c1F ZINC000218008105 134251562 /nfs/dbraw/zinc/25/15/62/134251562.db2.gz MHJAIUCDALVEBL-WCBMZHEXSA-N 0 0 223.295 2.779 20 70 BFIDRN C[C@@H]1CCC[C@H](C(=O)NCc2nccs2)C1 ZINC000160741966 358226300 /nfs/dbraw/zinc/22/63/00/358226300.db2.gz KXYOURYHWRASLR-ZJUUUORDSA-N 0 0 238.356 2.586 20 70 BFIDRN COc1cccc(-n2nc(C)c(C)c2C)c1 ZINC000160981897 359625925 /nfs/dbraw/zinc/62/59/25/359625925.db2.gz LMABHHKRZXIZBT-UHFFFAOYSA-N 0 0 216.284 2.806 20 70 BFIDRN CC[C@@H]1CC[C@@H](C)N1C(=O)NC1CCCC1 ZINC000161489740 200712304 /nfs/dbraw/zinc/71/23/04/200712304.db2.gz JCIUOPCVLWILCP-ZYHUDNBSSA-N 0 0 224.348 2.902 20 70 BFIDRN CCC(C)(CC)C(=O)N(C)CC1CCOCC1 ZINC000159409467 541494401 /nfs/dbraw/zinc/49/44/01/541494401.db2.gz BJGSIYDXVMFYGZ-UHFFFAOYSA-N 0 0 241.375 2.698 20 70 BFIDRN O=c1sc2ccccc2n1Cc1nccs1 ZINC000161376099 205526493 /nfs/dbraw/zinc/52/64/93/205526493.db2.gz BCIIJGDJEOXIJV-UHFFFAOYSA-N 0 0 248.332 2.568 20 70 BFIDRN O=C(N[C@H]1CCCc2sccc21)c1ccc[nH]1 ZINC000159890918 182334684 /nfs/dbraw/zinc/33/46/84/182334684.db2.gz QAWIVYZIRIGXIH-JTQLQIEISA-N 0 0 246.335 2.884 20 70 BFIDRN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCCO1 ZINC000159709709 182364608 /nfs/dbraw/zinc/36/46/08/182364608.db2.gz MSEVQBIAFFXHFB-AWEZNQCLSA-N 0 0 245.322 2.683 20 70 BFIDRN CCCN(C)C(=O)/C=C/c1ccc(CC)o1 ZINC000159510568 169048882 /nfs/dbraw/zinc/04/88/82/169048882.db2.gz MUOFADAESZIKBB-CMDGGOBGSA-N 0 0 221.300 2.724 20 70 BFIDRN CCC[C@@H](C(=O)NCc1ccco1)C(C)C ZINC000160431761 169345510 /nfs/dbraw/zinc/34/55/10/169345510.db2.gz ABMYFZMHXGJYFH-GFCCVEGCSA-N 0 0 223.316 2.968 20 70 BFIDRN CCC[C@@H](C)CC(=O)Nc1cccc(F)n1 ZINC000160911197 169356778 /nfs/dbraw/zinc/35/67/78/169356778.db2.gz OQKPOZSKZDEGAM-SECBINFHSA-N 0 0 224.279 2.986 20 70 BFIDRN Cc1ccsc1CCCC(=O)NCC1CC1 ZINC000160463932 383954454 /nfs/dbraw/zinc/95/44/54/383954454.db2.gz UJFVFGCTYQPVFT-UHFFFAOYSA-N 0 0 237.368 2.905 20 70 BFIDRN CCOC(=O)CN[C@H](c1ccccc1)C(C)(C)C ZINC000159487977 384283316 /nfs/dbraw/zinc/28/33/16/384283316.db2.gz VYRFBPGPGQMWOL-CQSZACIVSA-N 0 0 249.354 2.927 20 70 BFIDRN Cc1noc(C)c1CN(C)OCc1ccccc1 ZINC000159628967 384345758 /nfs/dbraw/zinc/34/57/58/384345758.db2.gz UNNDCAKTTUHHPF-UHFFFAOYSA-N 0 0 246.310 2.855 20 70 BFIDRN CC[C@@H](C)OCC(=O)N(C)c1ccc(F)cc1 ZINC000159650745 384348159 /nfs/dbraw/zinc/34/81/59/384348159.db2.gz BCFUZHGBWYELKR-SNVBAGLBSA-N 0 0 239.290 2.604 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)c1occc1C ZINC000159774024 384355359 /nfs/dbraw/zinc/35/53/59/384355359.db2.gz OIMXRBGFRKHCRO-QWRGUYRKSA-N 0 0 221.300 2.897 20 70 BFIDRN CCCN(CCSCC)CC(F)F ZINC000159915729 384369666 /nfs/dbraw/zinc/36/96/66/384369666.db2.gz HQTLJNMVGKTTCS-UHFFFAOYSA-N 0 0 211.321 2.717 20 70 BFIDRN Cc1ccc(OC(=O)[C@H]2CCCCO2)c(C)c1 ZINC000159917060 384372172 /nfs/dbraw/zinc/37/21/72/384372172.db2.gz DSNTWOGSFUQDLM-CYBMUJFWSA-N 0 0 234.295 2.778 20 70 BFIDRN CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000159407829 384327885 /nfs/dbraw/zinc/32/78/85/384327885.db2.gz VZYUXOFDCRFHLE-CYBMUJFWSA-N 0 0 219.328 2.590 20 70 BFIDRN CCCCC(=O)N(C)c1ccc(OC)c(F)c1 ZINC000159392007 384328414 /nfs/dbraw/zinc/32/84/14/384328414.db2.gz UKQZQVLUGBMHDQ-UHFFFAOYSA-N 0 0 239.290 2.987 20 70 BFIDRN Cc1ccncc1NC(=O)CCCn1cccc1 ZINC000159413308 384329128 /nfs/dbraw/zinc/32/91/28/384329128.db2.gz CLLGASUCRMNOHO-UHFFFAOYSA-N 0 0 243.310 2.610 20 70 BFIDRN CCN(CCc1nccs1)CC(F)(F)F ZINC000159387050 384329466 /nfs/dbraw/zinc/32/94/66/384329466.db2.gz HQWZZXDICWOKQJ-UHFFFAOYSA-N 0 0 238.278 2.570 20 70 BFIDRN COc1cc(NC(=O)NC(C)(C)C)ccc1F ZINC000160229535 384397867 /nfs/dbraw/zinc/39/78/67/384397867.db2.gz ZLHBVIJPTGBKOC-UHFFFAOYSA-N 0 0 240.278 2.754 20 70 BFIDRN CCCC1(CNC(=O)Cc2ccc(C)nc2)CC1 ZINC000160481411 384415160 /nfs/dbraw/zinc/41/51/60/384415160.db2.gz UMMAPMCGBRNNCV-UHFFFAOYSA-N 0 0 246.354 2.629 20 70 BFIDRN C[C@H](C(=O)N1CCCC1)c1c(F)cccc1F ZINC000160604671 384422813 /nfs/dbraw/zinc/42/28/13/384422813.db2.gz JHMIXPKMNIHJPT-VIFPVBQESA-N 0 0 239.265 2.691 20 70 BFIDRN CCOCCSCc1c(CC)noc1C ZINC000160009624 384379042 /nfs/dbraw/zinc/37/90/42/384379042.db2.gz UIWVNZGWSMQETR-UHFFFAOYSA-N 0 0 229.345 2.815 20 70 BFIDRN CCCC1(CNC(=O)c2cc[nH]c2C)CC1 ZINC000160751920 384433036 /nfs/dbraw/zinc/43/30/36/384433036.db2.gz FMDAKYPJIJMLDL-UHFFFAOYSA-N 0 0 220.316 2.633 20 70 BFIDRN CCCCC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159670872 384468217 /nfs/dbraw/zinc/46/82/17/384468217.db2.gz RBEATDCMASMUPZ-GFCCVEGCSA-N 0 0 239.359 2.785 20 70 BFIDRN C/C=C/C=C/C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000161316111 384480709 /nfs/dbraw/zinc/48/07/09/384480709.db2.gz CZZQJPCMUNXVQX-ADOIESLVSA-N 0 0 249.354 2.727 20 70 BFIDRN CC[C@H]1CC[C@H](C)N1C(=O)NC(C)(C)C ZINC000161481302 385090852 /nfs/dbraw/zinc/09/08/52/385090852.db2.gz FONWFLAVDHVTMV-UWVGGRQHSA-N 0 0 212.337 2.757 20 70 BFIDRN Cc1ccc(CN(C)C(=O)NC2CCCC2)o1 ZINC000160355757 385540223 /nfs/dbraw/zinc/54/02/23/385540223.db2.gz OFOJHPUJNYVXCK-UHFFFAOYSA-N 0 0 236.315 2.672 20 70 BFIDRN O=C(N1C[C@H]2CCC[C@@H]2C1)N1CCCCCC1 ZINC000160729963 385758445 /nfs/dbraw/zinc/75/84/45/385758445.db2.gz YVGAIKLRFHJMGR-CHWSQXEVSA-N 0 0 236.359 2.714 20 70 BFIDRN C/C=C/C=C\C(=O)Nc1ccc(O)cc1F ZINC000218307593 386766704 /nfs/dbraw/zinc/76/67/04/386766704.db2.gz VLCHAOLHDBBJHE-IAROGAJJSA-N 0 0 221.231 2.602 20 70 BFIDRN COc1cc(NC(=O)NC2CCC2)ccc1F ZINC000160230528 387071720 /nfs/dbraw/zinc/07/17/20/387071720.db2.gz GGVSRYNHOBICGG-UHFFFAOYSA-N 0 0 238.262 2.508 20 70 BFIDRN CC[C@@H](C)C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000160285847 387072490 /nfs/dbraw/zinc/07/24/90/387072490.db2.gz BOXJMGMCERSZIK-KCJUWKMLSA-N 0 0 238.331 2.905 20 70 BFIDRN CN(Cc1ccoc1)C(=O)N1CCCCCC1 ZINC000160391274 387084986 /nfs/dbraw/zinc/08/49/86/387084986.db2.gz ZJVBECPKJWDFBM-UHFFFAOYSA-N 0 0 236.315 2.707 20 70 BFIDRN CC[C@@H](C)N(C)c1ccnc(C2CC2)n1 ZINC000160439387 387087532 /nfs/dbraw/zinc/08/75/32/387087532.db2.gz BXXOSUUETYLIBX-SECBINFHSA-N 0 0 205.305 2.589 20 70 BFIDRN CCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1CC ZINC000161247503 387167516 /nfs/dbraw/zinc/16/75/16/387167516.db2.gz JBLZJZKMSJUZKG-UPJWGTAASA-N 0 0 241.375 2.839 20 70 BFIDRN CCOCCC(=O)N(C)[C@@H]1CCCC[C@H]1CC ZINC000161242004 387167582 /nfs/dbraw/zinc/16/75/82/387167582.db2.gz KRCMMVULYGQYOI-CHWSQXEVSA-N 0 0 241.375 2.840 20 70 BFIDRN O=C(C1CCCC1)N1CCc2c(F)cccc2C1 ZINC000160892486 388015333 /nfs/dbraw/zinc/01/53/33/388015333.db2.gz ZWYARPAHFWUPTM-UHFFFAOYSA-N 0 0 247.313 2.901 20 70 BFIDRN CC(C)(F)C(=O)N[C@@H]1CCCc2sccc21 ZINC000159951569 388039447 /nfs/dbraw/zinc/03/94/47/388039447.db2.gz ACVXAWVNRPZXJE-SECBINFHSA-N 0 0 241.331 2.990 20 70 BFIDRN c1cc(CNc2nc3ccccc3[nH]2)co1 ZINC000160548399 388072978 /nfs/dbraw/zinc/07/29/78/388072978.db2.gz UMBQATWBAKBAMB-UHFFFAOYSA-N 0 0 213.240 2.768 20 70 BFIDRN CCC(CC)n1nccc1C(=O)NC1CCCC1 ZINC000160602979 388078343 /nfs/dbraw/zinc/07/83/43/388078343.db2.gz QOMVZFFPBLJSIV-UHFFFAOYSA-N 0 0 249.358 2.917 20 70 BFIDRN C[C@@H](CO)SCc1ccc(F)c(F)c1 ZINC000160707236 388085417 /nfs/dbraw/zinc/08/54/17/388085417.db2.gz GHAMJMBQVTWMMI-ZETCQYMHSA-N 0 0 218.268 2.579 20 70 BFIDRN C[C@@H](CO)SC/C=C/c1ccccc1 ZINC000160730983 388085989 /nfs/dbraw/zinc/08/59/89/388085989.db2.gz KOLCJKIFMSVHPI-BWNDKRECSA-N 0 0 208.326 2.814 20 70 BFIDRN CC(C)(C)CCC(=O)Nc1cccc(F)n1 ZINC000160942684 388104835 /nfs/dbraw/zinc/10/48/35/388104835.db2.gz PDXURUWJOFABAO-UHFFFAOYSA-N 0 0 224.279 2.986 20 70 BFIDRN CCC[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](C)C1 ZINC000218005092 388576147 /nfs/dbraw/zinc/57/61/47/388576147.db2.gz RAYBOTYFZUZKBC-IJLUTSLNSA-N 0 0 224.348 2.617 20 70 BFIDRN CCCC1(CNC(=O)[C@H](C)c2cccnc2)CC1 ZINC000160685282 397771580 /nfs/dbraw/zinc/77/15/80/397771580.db2.gz YGCBUXKPCMICLE-GFCCVEGCSA-N 0 0 246.354 2.882 20 70 BFIDRN Cc1ccc(Cn2cnc(C(C)C)cc2=O)cc1 ZINC000160686498 397771762 /nfs/dbraw/zinc/77/17/62/397771762.db2.gz IYLWBXRFPKLZEG-UHFFFAOYSA-N 0 0 242.322 2.723 20 70 BFIDRN Cc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)o1 ZINC000161412196 398128513 /nfs/dbraw/zinc/12/85/13/398128513.db2.gz KANJTQUWRNTILQ-RKDXNWHRSA-N 0 0 207.273 2.601 20 70 BFIDRN CC1=CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000160176205 168108254 /nfs/dbraw/zinc/10/82/54/168108254.db2.gz WROYIRAHOOJPPK-UHFFFAOYSA-N 0 0 240.306 2.960 20 70 BFIDRN CC1=CCN(C(=O)c2cccc(Cl)n2)CC1 ZINC000160173402 168108729 /nfs/dbraw/zinc/10/87/29/168108729.db2.gz VEUVCUCEDCDOIS-UHFFFAOYSA-N 0 0 236.702 2.527 20 70 BFIDRN CCC(C)(C)C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160417975 168261746 /nfs/dbraw/zinc/26/17/46/168261746.db2.gz QGEHFGONNCNDAE-UHFFFAOYSA-N 0 0 249.310 2.814 20 70 BFIDRN CCOC1CC(Nc2ccc(F)c(OC)c2)C1 ZINC000160151298 170330006 /nfs/dbraw/zinc/33/00/06/170330006.db2.gz DSUWEGQPGUHBMH-UHFFFAOYSA-N 0 0 239.290 2.814 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1occc1C ZINC000159773881 170991502 /nfs/dbraw/zinc/99/15/02/170991502.db2.gz OIMXRBGFRKHCRO-MNOVXSKESA-N 0 0 221.300 2.897 20 70 BFIDRN CC[C@@H]1CC[C@@H](C)N1C(=O)NC(C)(C)C ZINC000161481446 171034763 /nfs/dbraw/zinc/03/47/63/171034763.db2.gz FONWFLAVDHVTMV-NXEZZACHSA-N 0 0 212.337 2.757 20 70 BFIDRN CC[C@H](SCc1c(C)cccc1C)C(N)=O ZINC000161378881 171595248 /nfs/dbraw/zinc/59/52/48/171595248.db2.gz WZMWFMDLJSGTFR-LBPRGKRZSA-N 0 0 237.368 2.801 20 70 BFIDRN CCc1ncsc1C(=O)Nc1ccnc(C)c1 ZINC000159801192 172035101 /nfs/dbraw/zinc/03/51/01/172035101.db2.gz GKRLLENBDIPJJU-UHFFFAOYSA-N 0 0 247.323 2.661 20 70 BFIDRN CCc1noc(C)c1CSC[C@H]1CCCO1 ZINC000159686212 172080514 /nfs/dbraw/zinc/08/05/14/172080514.db2.gz VTVZBZPERLEFCH-SNVBAGLBSA-N 0 0 241.356 2.958 20 70 BFIDRN COC(=O)C[C@@H](C)S[C@@H]1C=CCCC1 ZINC000161244073 173623298 /nfs/dbraw/zinc/62/32/98/173623298.db2.gz ULLKVNUGRXERFM-NXEZZACHSA-N 0 0 214.330 2.780 20 70 BFIDRN COCC(C)(C)c1nc(-c2ccsc2)no1 ZINC000161374440 174082282 /nfs/dbraw/zinc/08/22/82/174082282.db2.gz OGBJDZAUDSGMFG-UHFFFAOYSA-N 0 0 238.312 2.722 20 70 BFIDRN COc1cc(N[C@@H]2CCO[C@H](C)C2)ccc1F ZINC000159967922 175004304 /nfs/dbraw/zinc/00/43/04/175004304.db2.gz FXONAUYTQIEIQK-MWLCHTKSSA-N 0 0 239.290 2.814 20 70 BFIDRN COc1cc(N[C@H]2CCO[C@@H](C)C2)ccc1F ZINC000159968309 175004877 /nfs/dbraw/zinc/00/48/77/175004877.db2.gz FXONAUYTQIEIQK-ONGXEEELSA-N 0 0 239.290 2.814 20 70 BFIDRN COc1ccc(C)cc1[C@H](C)OC(C)=O ZINC000160140149 175081257 /nfs/dbraw/zinc/08/12/57/175081257.db2.gz YJMLFAHDLHJXKI-VIFPVBQESA-N 0 0 208.257 2.628 20 70 BFIDRN CS[C@H]1CCCCN(C(=O)NC(C)(C)C)C1 ZINC000161130478 175567310 /nfs/dbraw/zinc/56/73/10/175567310.db2.gz BJTHWCGCNAIVBJ-JTQLQIEISA-N 0 0 244.404 2.712 20 70 BFIDRN C[C@@H]1CC[C@H](CC(=O)Nc2cccc(F)n2)C1 ZINC000160915112 176223068 /nfs/dbraw/zinc/22/30/68/176223068.db2.gz JBBAAENNWSGUOW-ZJUUUORDSA-N 0 0 236.290 2.986 20 70 BFIDRN COc1cccnc1N[C@@H](C)CC(C)C ZINC000159467881 322969921 /nfs/dbraw/zinc/96/99/21/322969921.db2.gz MGLWTZNDZNYVHD-JTQLQIEISA-N 0 0 208.305 2.937 20 70 BFIDRN C[C@]1(C(=O)NCC2CC2)CCCc2ccccc21 ZINC000159493767 322972059 /nfs/dbraw/zinc/97/20/59/322972059.db2.gz QREYGDJUUJYJBY-INIZCTEOSA-N 0 0 243.350 2.807 20 70 BFIDRN O=C(CCc1ccoc1)NCC1(C2CC2)CC1 ZINC000159651699 323042338 /nfs/dbraw/zinc/04/23/38/323042338.db2.gz SFWRSSCJZNMNQP-UHFFFAOYSA-N 0 0 233.311 2.519 20 70 BFIDRN CCN(CC)C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000159665178 323043427 /nfs/dbraw/zinc/04/34/27/323043427.db2.gz LGOSDWKLVGEXSB-NWDGAFQWSA-N 0 0 226.364 2.816 20 70 BFIDRN CC1(C)CCC[N@@H+]1Cc1cnc2ccccn12 ZINC000159717288 323044470 /nfs/dbraw/zinc/04/44/70/323044470.db2.gz UNLSCTKFSMFRCV-UHFFFAOYSA-N 0 0 229.327 2.709 20 70 BFIDRN COCC[C@@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC000159718124 323044612 /nfs/dbraw/zinc/04/46/12/323044612.db2.gz WDFGXHZQMCNELP-LLVKDONJSA-N 0 0 241.375 2.744 20 70 BFIDRN CCC[C@@H](C)C(=O)NCC1(C2CC2)CC1 ZINC000159779142 323047634 /nfs/dbraw/zinc/04/76/34/323047634.db2.gz WHRGOSZPQLCGOA-SNVBAGLBSA-N 0 0 209.333 2.729 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)c1ccoc1C ZINC000159782187 323047773 /nfs/dbraw/zinc/04/77/73/323047773.db2.gz MPQLBPAWMMKUEY-CMPLNLGQSA-N 0 0 221.300 2.897 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000159846102 323050724 /nfs/dbraw/zinc/05/07/24/323050724.db2.gz LAGUAOCPIMIROW-IUODEOHRSA-N 0 0 249.329 2.921 20 70 BFIDRN C(CC1CCCC1)SCCN1CCOCC1 ZINC000159934585 323054427 /nfs/dbraw/zinc/05/44/27/323054427.db2.gz MBQBUJTXEKGBLL-UHFFFAOYSA-N 0 0 243.416 2.632 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccnn1CC(C)C ZINC000159993396 323057171 /nfs/dbraw/zinc/05/71/71/323057171.db2.gz IXBDGVJMEWTQHH-SMDDNHRTSA-N 0 0 249.358 2.914 20 70 BFIDRN CC1(NC(=O)N[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000159998590 323057173 /nfs/dbraw/zinc/05/71/73/323057173.db2.gz GUNMJACJPLWXCV-STQMWFEESA-N 0 0 244.338 2.784 20 70 BFIDRN CC1(NC(=O)NC[C@@H]2CC=CCC2)CCC1 ZINC000160116777 323060993 /nfs/dbraw/zinc/06/09/93/323060993.db2.gz KDOKTHQKTHSINY-LLVKDONJSA-N 0 0 222.332 2.585 20 70 BFIDRN Cc1nc(NC(=O)[C@H](C)C2CC2)cc(C2CC2)n1 ZINC000160132108 323061080 /nfs/dbraw/zinc/06/10/80/323061080.db2.gz MTSWHNGZNDUJMI-MRVPVSSYSA-N 0 0 245.326 2.647 20 70 BFIDRN COc1cccnc1NC(C1CC1)C1CC1 ZINC000160220289 323064147 /nfs/dbraw/zinc/06/41/47/323064147.db2.gz HVOINARJHVPJFQ-UHFFFAOYSA-N 0 0 218.300 2.691 20 70 BFIDRN Cc1cccc2[nH]c(CNC(=O)C(C)(C)C)nc21 ZINC000160329980 323064826 /nfs/dbraw/zinc/06/48/26/323064826.db2.gz KKZMXMXJBZHEPZ-UHFFFAOYSA-N 0 0 245.326 2.534 20 70 BFIDRN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CC1CC1 ZINC000160421926 323066101 /nfs/dbraw/zinc/06/61/01/323066101.db2.gz NFZDGGSNAZXVNL-NSHDSACASA-N 0 0 247.338 2.582 20 70 BFIDRN CC[C@@H](C)N(C)c1ccnc(C(C)C)n1 ZINC000160442974 323066629 /nfs/dbraw/zinc/06/66/29/323066629.db2.gz MLKDFHBIMZABOU-SNVBAGLBSA-N 0 0 207.321 2.835 20 70 BFIDRN CC(C)n1cccc1C(=O)NCCc1ccco1 ZINC000160548463 323070505 /nfs/dbraw/zinc/07/05/05/323070505.db2.gz NJLTYMWXFYEXCQ-UHFFFAOYSA-N 0 0 246.310 2.635 20 70 BFIDRN CC(C)C[C@H](C)NC(=O)[C@H](C)C1CCOCC1 ZINC000161355711 323075926 /nfs/dbraw/zinc/07/59/26/323075926.db2.gz IRFUKOHPFHWMKV-NWDGAFQWSA-N 0 0 241.375 2.600 20 70 BFIDRN C[C@@H]1CC[C@@H](C)N1C(=O)Cc1ccsc1 ZINC000161403374 323075934 /nfs/dbraw/zinc/07/59/34/323075934.db2.gz LTMMWAJWPHFMMP-NXEZZACHSA-N 0 0 223.341 2.690 20 70 BFIDRN CCCC1(CNC(=O)CC[C@H]2CCCO2)CC1 ZINC000160747071 323105028 /nfs/dbraw/zinc/10/50/28/323105028.db2.gz NYXNRZQJINOAMG-GFCCVEGCSA-N 0 0 239.359 2.642 20 70 BFIDRN CC[C@H](C)OCC(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000160779986 323134754 /nfs/dbraw/zinc/13/47/54/323134754.db2.gz LOTXFDJSRQVYOX-AVGNSLFASA-N 0 0 241.375 2.744 20 70 BFIDRN Cn1cnnc1CSc1ccc(Cl)cc1 ZINC000160943846 323139721 /nfs/dbraw/zinc/13/97/21/323139721.db2.gz WRQFVIOYGNZKIN-UHFFFAOYSA-N 0 0 239.731 2.761 20 70 BFIDRN Cn1cnnc1CSc1ccccc1Cl ZINC000160948207 323139849 /nfs/dbraw/zinc/13/98/49/323139849.db2.gz WZSZJXRRPKNVTJ-UHFFFAOYSA-N 0 0 239.731 2.761 20 70 BFIDRN Cc1ccc(SCc2nncn2C)c(C)c1 ZINC000160976024 323141155 /nfs/dbraw/zinc/14/11/55/323141155.db2.gz DHHVRCXFSJBRMQ-UHFFFAOYSA-N 0 0 233.340 2.724 20 70 BFIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cnccn1 ZINC000161147614 323149259 /nfs/dbraw/zinc/14/92/59/323149259.db2.gz NBNVYIJJXIFFOF-AAEUAGOBSA-N 0 0 247.342 2.517 20 70 BFIDRN O=C(c1ccon1)N1CCc2c1cccc2Cl ZINC000161459178 323521183 /nfs/dbraw/zinc/52/11/83/323521183.db2.gz CJJYWHCMKSHNDV-UHFFFAOYSA-N 0 0 248.669 2.531 20 70 BFIDRN CCC[C@@H](CC)NC(=O)C[C@@H](C)SC ZINC000161492589 323535152 /nfs/dbraw/zinc/53/51/52/323535152.db2.gz MSYWMERJOHEFBG-NXEZZACHSA-N 0 0 217.378 2.823 20 70 BFIDRN O=C(CN1C[C@H]2CCC[C@@H]2C1)c1ccccc1F ZINC000160022215 488064766 /nfs/dbraw/zinc/06/47/66/488064766.db2.gz YKFVQWIAAHPLAD-VXGBXAGGSA-N 0 0 247.313 2.740 20 70 BFIDRN CC(=O)c1ccnc(N2CC[C@H](C(C)C)C2)c1 ZINC000160286369 488121460 /nfs/dbraw/zinc/12/14/60/488121460.db2.gz PUHZEYZGCBWSKM-ZDUSSCGKSA-N 0 0 232.327 2.767 20 70 BFIDRN CC1CCN(C(=O)N2CC[C@@H](C)C[C@H]2C)CC1 ZINC000160511294 487521571 /nfs/dbraw/zinc/52/15/71/487521571.db2.gz MZMFKPFJPRCJKF-CHWSQXEVSA-N 0 0 238.375 2.959 20 70 BFIDRN CC1CCN(C(=O)N2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000160730474 535270748 /nfs/dbraw/zinc/27/07/48/535270748.db2.gz DDMCBGSJSPFMTM-STQMWFEESA-N 0 0 236.359 2.570 20 70 BFIDRN CC[C@@H](C)CNC(=O)c1ccc(F)cc1C ZINC000159860886 535522294 /nfs/dbraw/zinc/52/22/94/535522294.db2.gz YMMJLTIMWAOZFT-SECBINFHSA-N 0 0 223.291 2.910 20 70 BFIDRN CC[C@H](C)c1cc(C(=O)Nc2ccccn2)on1 ZINC000159545097 536021827 /nfs/dbraw/zinc/02/18/27/536021827.db2.gz KLDNMFWDVMLIOV-VIFPVBQESA-N 0 0 245.282 2.835 20 70 BFIDRN CC[C@H]1C[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000218020165 536172166 /nfs/dbraw/zinc/17/21/66/536172166.db2.gz ONKCGDZDDLXIGO-BQBZGAKWSA-N 0 0 231.221 2.706 20 70 BFIDRN CC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 ZINC000218236658 582717054 /nfs/dbraw/zinc/71/70/54/582717054.db2.gz BXGXVUXELUFEOI-UHFFFAOYSA-N 0 0 234.295 2.730 20 70 BFIDRN NC(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000218239280 592153706 /nfs/dbraw/zinc/15/37/06/592153706.db2.gz XXTSJZMAUWGELC-UHFFFAOYSA-N 0 0 215.227 2.592 20 70 BFIDRN CC(C)NC(=S)NCC(C)(C)C(C)C ZINC000218746012 592176626 /nfs/dbraw/zinc/17/66/26/592176626.db2.gz QZAWYVRSGHSYFJ-UHFFFAOYSA-N 0 0 216.394 2.541 20 70 BFIDRN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)cn1 ZINC000161415716 538915523 /nfs/dbraw/zinc/91/55/23/538915523.db2.gz MYTSMUDXLBCGKD-RYUDHWBXSA-N 0 0 245.326 2.654 20 70 BFIDRN Cc1ccc(NC(=O)N(C)[C@H](C)C2CC2)cn1 ZINC000161396155 538915594 /nfs/dbraw/zinc/91/55/94/538915594.db2.gz JESLTIJCQSJYNZ-SNVBAGLBSA-N 0 0 233.315 2.652 20 70 BFIDRN C[C@@H](CC(=O)N1CCC(C)(C)C1)c1ccncc1 ZINC000160814474 538912908 /nfs/dbraw/zinc/91/29/08/538912908.db2.gz SQMCLFFUSDHVEG-LBPRGKRZSA-N 0 0 246.354 2.834 20 70 BFIDRN Cc1cccc(O[C@H](C)C(=O)NC2CC=CC2)c1 ZINC000160993358 538913778 /nfs/dbraw/zinc/91/37/78/538913778.db2.gz HJQKRSRZMJMZBL-GFCCVEGCSA-N 0 0 245.322 2.597 20 70 BFIDRN Cc1cccc(C(=O)N(C)Cc2ccoc2)c1F ZINC000161475974 349458401 /nfs/dbraw/zinc/45/84/01/349458401.db2.gz XAQUUWOFKKEUKE-UHFFFAOYSA-N 0 0 247.269 2.999 20 70 BFIDRN Cc1cc(F)ccc1NC(=O)[C@@H]1CCCCO1 ZINC000159767258 178089006 /nfs/dbraw/zinc/08/90/06/178089006.db2.gz RIBUPILWTONNMS-LBPRGKRZSA-N 0 0 237.274 2.642 20 70 BFIDRN Cc1cc(F)ccc1NC(=O)[C@H]1CCCCO1 ZINC000159767403 178090222 /nfs/dbraw/zinc/09/02/22/178090222.db2.gz RIBUPILWTONNMS-GFCCVEGCSA-N 0 0 237.274 2.642 20 70 BFIDRN Cc1cccc(CNC(=O)[C@H]2CCC[C@@H](C)C2)n1 ZINC000161144982 398206049 /nfs/dbraw/zinc/20/60/49/398206049.db2.gz BJIUGAMIZRRVIB-YPMHNXCESA-N 0 0 246.354 2.833 20 70 BFIDRN Cc1cc(=O)[nH]c([C@H](C)Sc2ccncc2)n1 ZINC000160017317 178204046 /nfs/dbraw/zinc/20/40/46/178204046.db2.gz OTFVGTSEUCDHHE-VIFPVBQESA-N 0 0 247.323 2.739 20 70 BFIDRN CCC1(CNC(=O)N[C@H](C)CC(C)C)CC1 ZINC000159449483 398305770 /nfs/dbraw/zinc/30/57/70/398305770.db2.gz VIYUJWYGGBOZMG-LLVKDONJSA-N 0 0 226.364 2.910 20 70 BFIDRN CCCCCOCC(=O)N[C@H]1CCC[C@@H]1CC ZINC000159552273 398342139 /nfs/dbraw/zinc/34/21/39/398342139.db2.gz PTTGDAFVHDHVSS-STQMWFEESA-N 0 0 241.375 2.888 20 70 BFIDRN CCCCCN1C(=O)CC[C@@H](CCC)C1=O ZINC000159877428 323051566 /nfs/dbraw/zinc/05/15/66/323051566.db2.gz NOVIDDXXOXDUTI-LLVKDONJSA-N 0 0 225.332 2.742 20 70 BFIDRN CCC(CC)CNC(=O)N(CC)CC1CC1 ZINC000160585938 323073222 /nfs/dbraw/zinc/07/32/22/323073222.db2.gz CKPRQSYAZJPHQJ-UHFFFAOYSA-N 0 0 226.364 2.864 20 70 BFIDRN CCCCN(CCCC)C(=O)[C@H]1CCCCO1 ZINC000160943475 201750825 /nfs/dbraw/zinc/75/08/25/201750825.db2.gz URZCRUBFFQVOPA-CYBMUJFWSA-N 0 0 241.375 2.984 20 70 BFIDRN CC[C@@H](CC(=O)N[C@@H](CO)CC(C)C)C(C)C ZINC000161203425 323075835 /nfs/dbraw/zinc/07/58/35/323075835.db2.gz ZCIZXOXDSOHBAE-QWHCGFSZSA-N 0 0 243.391 2.582 20 70 BFIDRN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1(C)C ZINC000160654418 323076338 /nfs/dbraw/zinc/07/63/38/323076338.db2.gz LTXZSBMAMNVMLR-GARJFASQSA-N 0 0 241.400 2.823 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)CCC1CC1 ZINC000159751475 345511392 /nfs/dbraw/zinc/51/13/92/345511392.db2.gz KVOSGIWTJGHINM-VXGBXAGGSA-N 0 0 209.333 2.872 20 70 BFIDRN Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)C2)cc1 ZINC000159770942 345519309 /nfs/dbraw/zinc/51/93/09/345519309.db2.gz BQAYHAZYJAWOLT-WCQYABFASA-N 0 0 217.312 2.913 20 70 BFIDRN CCOC(=O)c1ccc(N[C@@H](C)C2CCC2)nc1 ZINC000159995242 345775955 /nfs/dbraw/zinc/77/59/55/345775955.db2.gz PTQCBWRGQUTFBH-JTQLQIEISA-N 0 0 248.326 2.859 20 70 BFIDRN CCn1nccc1CNc1ccc(F)c(OC)c1 ZINC000160035988 345788559 /nfs/dbraw/zinc/78/85/59/345788559.db2.gz XGCRSRNHDIIJRE-UHFFFAOYSA-N 0 0 249.289 2.663 20 70 BFIDRN CC1(C)C[C@H]1CNC(=O)c1ccncc1Cl ZINC000217708181 534918148 /nfs/dbraw/zinc/91/81/48/534918148.db2.gz UOWBSKNIYRYISS-QMMMGPOBSA-N 0 0 238.718 2.511 20 70 BFIDRN COc1cc(C)ccc1NC(=O)[C@@H]1CC1(C)C ZINC000159769837 346262987 /nfs/dbraw/zinc/26/29/87/346262987.db2.gz XEQLWYNNJYIHKH-JTQLQIEISA-N 0 0 233.311 2.988 20 70 BFIDRN COc1cccnc1N[C@H]1CC=CCC1 ZINC000160245504 346358710 /nfs/dbraw/zinc/35/87/10/346358710.db2.gz VXXHDKRJSQZCBK-JTQLQIEISA-N 0 0 204.273 2.611 20 70 BFIDRN CC[C@@H](c1ccncc1)N(CC)C(=O)NC(C)C ZINC000160827285 346466348 /nfs/dbraw/zinc/46/63/48/346466348.db2.gz BWXHFWFLUUEFLM-ZDUSSCGKSA-N 0 0 249.358 2.973 20 70 BFIDRN CC[C@@H](SCC(=O)NC)c1ccc(F)cc1 ZINC000161353904 346485875 /nfs/dbraw/zinc/48/58/75/346485875.db2.gz ZXNPLNHESKPYBU-LLVKDONJSA-N 0 0 241.331 2.756 20 70 BFIDRN Cc1nnc(CSc2ccc(F)cc2)n1C ZINC000160924623 323139217 /nfs/dbraw/zinc/13/92/17/323139217.db2.gz JKVZLZWJLRJTEO-UHFFFAOYSA-N 0 0 237.303 2.555 20 70 BFIDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)C1CC1 ZINC000161325993 179553134 /nfs/dbraw/zinc/55/31/34/179553134.db2.gz KNCPEUHCTQVTLE-MNOVXSKESA-N 0 0 235.352 2.781 20 70 BFIDRN CCCC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160559577 349203349 /nfs/dbraw/zinc/20/33/49/349203349.db2.gz LCKDYPFUBSIMBT-LBPRGKRZSA-N 0 0 239.359 2.785 20 70 BFIDRN CN(Cc1cccn1C)C(=O)CC1CCCCC1 ZINC000160676628 349297970 /nfs/dbraw/zinc/29/79/70/349297970.db2.gz IGPOXEJSMUHFHR-UHFFFAOYSA-N 0 0 248.370 2.954 20 70 BFIDRN CC[C@@H](C)C(=O)NCc1ccc(F)cc1F ZINC000217382257 350053085 /nfs/dbraw/zinc/05/30/85/350053085.db2.gz ZWJJQTBIELHTRE-MRVPVSSYSA-N 0 0 227.254 2.627 20 70 BFIDRN CC(=O)c1ccc(NC(=O)NC2(C)CCC2)cc1 ZINC000159896274 191117732 /nfs/dbraw/zinc/11/77/32/191117732.db2.gz KIVSEXBDGNUTGN-UHFFFAOYSA-N 0 0 246.310 2.953 20 70 BFIDRN O=C(Nc1ccccn1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160033141 353110364 /nfs/dbraw/zinc/11/03/64/353110364.db2.gz JRPLZUKWZYBMCG-RYUDHWBXSA-N 0 0 245.326 2.878 20 70 BFIDRN COc1ccc([C@@H](C)NC(=O)OC(C)C)cc1 ZINC000160652143 188159188 /nfs/dbraw/zinc/15/91/88/188159188.db2.gz VKBKTJVLGVSASQ-SNVBAGLBSA-N 0 0 237.299 2.891 20 70 BFIDRN CC1(C)CCC(C(=O)NCCn2cccc2)CC1 ZINC000161001783 188159566 /nfs/dbraw/zinc/15/95/66/188159566.db2.gz VIQQSMDMCORFTE-UHFFFAOYSA-N 0 0 248.370 2.821 20 70 BFIDRN Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H]2C)cn1 ZINC000161430516 538111616 /nfs/dbraw/zinc/11/16/16/538111616.db2.gz ZXFRKICBEYPCGQ-KOLCDFICSA-N 0 0 233.315 2.652 20 70 BFIDRN Cc1csc(CN[C@@H](C)c2cscn2)n1 ZINC000161150687 188178421 /nfs/dbraw/zinc/17/84/21/188178421.db2.gz JQPYFFBIGQNNKJ-QMMMGPOBSA-N 0 0 239.369 2.759 20 70 BFIDRN CCCCOCCCNc1ncccc1OC ZINC000160368367 356489713 /nfs/dbraw/zinc/48/97/13/356489713.db2.gz JBXOVKZLGCNXAN-UHFFFAOYSA-N 0 0 238.331 2.709 20 70 BFIDRN CC1(NC(=O)NC[C@H]2Cc3ccccc32)CCC1 ZINC000159889308 538880103 /nfs/dbraw/zinc/88/01/03/538880103.db2.gz YKCZELVSIFRVMR-GFCCVEGCSA-N 0 0 244.338 2.568 20 70 BFIDRN CC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000159909883 538880353 /nfs/dbraw/zinc/88/03/53/538880353.db2.gz XYPBYCYPPIOVRR-STQMWFEESA-N 0 0 230.311 2.521 20 70 BFIDRN CCc1ncnc(N[C@H]2CCC[C@@H]2C)c1F ZINC000218008191 134251299 /nfs/dbraw/zinc/25/12/99/134251299.db2.gz MHJAIUCDALVEBL-WPRPVWTQSA-N 0 0 223.295 2.779 20 70 BFIDRN CCc1ncnc(NCc2cccc(F)c2)c1F ZINC000217969306 134250919 /nfs/dbraw/zinc/25/09/19/134250919.db2.gz QTBAVUPJKJWBCV-UHFFFAOYSA-N 0 0 249.264 2.929 20 70 BFIDRN CC(C)(C)C1=CCN(C(=O)C2CC2)CC1 ZINC000160965779 359593207 /nfs/dbraw/zinc/59/32/07/359593207.db2.gz YKRQTJJVLIKTOG-UHFFFAOYSA-N 0 0 207.317 2.601 20 70 BFIDRN Cc1ccc(CNC(=O)N2CCCCCC2)o1 ZINC000160513405 361254473 /nfs/dbraw/zinc/25/44/73/361254473.db2.gz QRVGUFXUHOBUOB-UHFFFAOYSA-N 0 0 236.315 2.674 20 70 BFIDRN CCCC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000160964885 361333797 /nfs/dbraw/zinc/33/37/97/361333797.db2.gz XNCNTDRZEOOJKO-UHFFFAOYSA-N 0 0 209.333 2.991 20 70 BFIDRN CC[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC000160985474 361335163 /nfs/dbraw/zinc/33/51/63/361335163.db2.gz BRQDWVMRLYIYQR-QMMMGPOBSA-N 0 0 219.275 2.727 20 70 BFIDRN CCC(C)(CC)C(=O)Nc1cc(OC)ccn1 ZINC000159394441 541494377 /nfs/dbraw/zinc/49/43/77/541494377.db2.gz UCNQOAOROIOKLZ-UHFFFAOYSA-N 0 0 236.315 2.855 20 70 BFIDRN Cc1cc(NC(=O)NC2CC=CC2)ccc1F ZINC000160021337 541495431 /nfs/dbraw/zinc/49/54/31/541495431.db2.gz IEJVILYRLOQCQX-UHFFFAOYSA-N 0 0 234.274 2.974 20 70 BFIDRN CCC(C)(CC)C(=O)N1CCOC2(CCC2)C1 ZINC000159406569 541493735 /nfs/dbraw/zinc/49/37/35/541493735.db2.gz JKGOEYOAFJBARF-UHFFFAOYSA-N 0 0 239.359 2.594 20 70 BFIDRN CC(C)CCC[C@H](C)NC(=O)[C@@H]1CCCCO1 ZINC000159472104 201683647 /nfs/dbraw/zinc/68/36/47/201683647.db2.gz FNVTWUMLLRPTJZ-STQMWFEESA-N 0 0 241.375 2.887 20 70 BFIDRN O=C(Cc1ccccc1F)NCC1(C2CC2)CC1 ZINC000160070275 182045645 /nfs/dbraw/zinc/04/56/45/182045645.db2.gz JMCIOBXADVDUIH-UHFFFAOYSA-N 0 0 247.313 2.675 20 70 BFIDRN CCCN(CC1CC1)c1ccnc(C2CC2)n1 ZINC000160899703 169138376 /nfs/dbraw/zinc/13/83/76/169138376.db2.gz WWTZJJGPXLXJKJ-UHFFFAOYSA-N 0 0 231.343 2.980 20 70 BFIDRN CCCN(CCC)C(=O)Nc1ccccn1 ZINC000217311312 169143178 /nfs/dbraw/zinc/14/31/78/169143178.db2.gz RANOIYCADMOBKN-UHFFFAOYSA-N 0 0 221.304 2.736 20 70 BFIDRN CCCNC(=O)[C@@H](C)c1c(F)cccc1F ZINC000160945350 169243640 /nfs/dbraw/zinc/24/36/40/169243640.db2.gz UMWHSWIZTCDAEQ-QMMMGPOBSA-N 0 0 227.254 2.595 20 70 BFIDRN CCC[C@@H](C)CC(=O)NCCc1cccc(O)c1 ZINC000160241828 169355980 /nfs/dbraw/zinc/35/59/80/169355980.db2.gz ZUHITXORMJGOLD-GFCCVEGCSA-N 0 0 249.354 2.877 20 70 BFIDRN CCC[C@@H](CC)NC(=O)c1ccncc1F ZINC000161401610 169378442 /nfs/dbraw/zinc/37/84/42/169378442.db2.gz XZNAQVALOBYYBZ-SECBINFHSA-N 0 0 224.279 2.529 20 70 BFIDRN CC(C)c1ccc(C(=O)NC2CCCC2)cn1 ZINC000159523962 384338859 /nfs/dbraw/zinc/33/88/59/384338859.db2.gz MOYRYLKAPFYUCH-UHFFFAOYSA-N 0 0 232.327 2.877 20 70 BFIDRN CCCCC(=O)N(C)CCOCc1ccccc1 ZINC000159382374 384326358 /nfs/dbraw/zinc/32/63/58/384326358.db2.gz LXMSRPOMYFWFJA-UHFFFAOYSA-N 0 0 249.354 2.852 20 70 BFIDRN CC(C)c1cc(=O)n(Cc2ccc(F)cc2)cn1 ZINC000160661978 384426030 /nfs/dbraw/zinc/42/60/30/384426030.db2.gz CKPORVTYYUBQJY-UHFFFAOYSA-N 0 0 246.285 2.554 20 70 BFIDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC1CC1 ZINC000160464224 384414169 /nfs/dbraw/zinc/41/41/69/384414169.db2.gz AHBKJRWFRDDBQT-MNOVXSKESA-N 0 0 235.352 2.686 20 70 BFIDRN Cc1ccoc1C(=O)NCC1(C2CC2)CC1 ZINC000160147950 384388628 /nfs/dbraw/zinc/38/86/28/384388628.db2.gz RCRKSDOHCFYZMK-UHFFFAOYSA-N 0 0 219.284 2.508 20 70 BFIDRN CN(CCC1CC1)C(=O)Nc1ccccc1 ZINC000160906025 384446745 /nfs/dbraw/zinc/44/67/45/384446745.db2.gz JZOSZCCHOVWKFX-UHFFFAOYSA-N 0 0 218.300 2.950 20 70 BFIDRN CC(C)c1ccc(C(=O)N(C)C(C)C)cn1 ZINC000160669737 384428520 /nfs/dbraw/zinc/42/85/20/384428520.db2.gz HXHXKBNXVMDNCA-UHFFFAOYSA-N 0 0 220.316 2.685 20 70 BFIDRN CC(C)n1ccc(Cn2cnc3c2CCCC3)n1 ZINC000160724144 384429345 /nfs/dbraw/zinc/42/93/45/384429345.db2.gz PMKSCCBUNPOBIH-UHFFFAOYSA-N 0 0 244.342 2.588 20 70 BFIDRN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(F)n1 ZINC000160823805 384440689 /nfs/dbraw/zinc/44/06/89/384440689.db2.gz NVXJMCUMBYCXAM-RKDXNWHRSA-N 0 0 224.279 2.841 20 70 BFIDRN Cc1noc([C@H](C)c2c(F)cccc2F)n1 ZINC000160866470 384443372 /nfs/dbraw/zinc/44/33/72/384443372.db2.gz PONDJIWNIHHCOT-ZCFIWIBFSA-N 0 0 224.210 2.808 20 70 BFIDRN CCC(=O)c1cccc(NC(=O)c2cc[nH]c2)c1 ZINC000160714686 384464782 /nfs/dbraw/zinc/46/47/82/384464782.db2.gz XNCZARWQFVNMIE-UHFFFAOYSA-N 0 0 242.278 2.860 20 70 BFIDRN Cc1nc(COC(=O)C2CC=CC2)c(C)s1 ZINC000161492697 384494759 /nfs/dbraw/zinc/49/47/59/384494759.db2.gz VVLJFUJBFKBSNF-UHFFFAOYSA-N 0 0 237.324 2.769 20 70 BFIDRN COC(=O)[C@H](C)CS[C@@H]1C=CCCC1 ZINC000161244550 384950429 /nfs/dbraw/zinc/95/04/29/384950429.db2.gz GPONVVSTZMAOCT-NXEZZACHSA-N 0 0 214.330 2.637 20 70 BFIDRN COc1ccnc(CN(C)c2ccccc2F)c1 ZINC000161237143 384943670 /nfs/dbraw/zinc/94/36/70/384943670.db2.gz IJBPGXJSEHVBTO-UHFFFAOYSA-N 0 0 246.285 2.866 20 70 BFIDRN CCCCC(=O)N[C@H]1CCc2c1cccc2OC ZINC000160230859 385421749 /nfs/dbraw/zinc/42/17/49/385421749.db2.gz BTDOSRZUOVIAML-ZDUSSCGKSA-N 0 0 247.338 2.989 20 70 BFIDRN O=C(N1Cc2ccccc2C1)N1CCCCCC1 ZINC000160509103 386208349 /nfs/dbraw/zinc/20/83/49/386208349.db2.gz BKHPEUZXEYWGHC-UHFFFAOYSA-N 0 0 244.338 2.998 20 70 BFIDRN CC[C@@H](C)C(=O)N[C@H](CC)c1c(C)noc1C ZINC000160286128 387072364 /nfs/dbraw/zinc/07/23/64/387072364.db2.gz BOXJMGMCERSZIK-LDYMZIIASA-N 0 0 238.331 2.905 20 70 BFIDRN CC[C@@H](NC(=O)CC1CC1)c1c(C)noc1C ZINC000160330750 387082264 /nfs/dbraw/zinc/08/22/64/387082264.db2.gz NCTBXIWYBXCFLO-LLVKDONJSA-N 0 0 236.315 2.659 20 70 BFIDRN COCC(C)(C)C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000161463529 387219680 /nfs/dbraw/zinc/21/96/80/387219680.db2.gz OBAXFGKDSZADQS-NEPJUHHUSA-N 0 0 241.375 2.554 20 70 BFIDRN CCC[C@H](CC)NC(=O)C[C@@H](C)SC ZINC000161492682 387230419 /nfs/dbraw/zinc/23/04/19/387230419.db2.gz MSYWMERJOHEFBG-ZJUUUORDSA-N 0 0 217.378 2.823 20 70 BFIDRN COc1ccsc1C(=O)N1[C@H](C)CC[C@H]1C ZINC000161495212 387232515 /nfs/dbraw/zinc/23/25/15/387232515.db2.gz NYTBPICUVVHRGL-RKDXNWHRSA-N 0 0 239.340 2.770 20 70 BFIDRN CSCCSc1ccc(O)cc1 ZINC000159967612 388039902 /nfs/dbraw/zinc/03/99/02/388039902.db2.gz XGCVONMCIWHUOI-UHFFFAOYSA-N 0 0 200.328 2.847 20 70 BFIDRN CC(C)(C)C(=O)N1CCc2c(F)cccc2C1 ZINC000161024557 388042150 /nfs/dbraw/zinc/04/21/50/388042150.db2.gz LAOJZIXRXUZQOU-UHFFFAOYSA-N 0 0 235.302 2.757 20 70 BFIDRN CC[C@@H](C)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159695434 388026812 /nfs/dbraw/zinc/02/68/12/388026812.db2.gz RBYYFOBQXHHTIF-LLVKDONJSA-N 0 0 244.338 2.873 20 70 BFIDRN CSCCCn1cnc2c1CCCC2 ZINC000160403849 388063928 /nfs/dbraw/zinc/06/39/28/388063928.db2.gz ARBWJFLDERHUGW-UHFFFAOYSA-N 0 0 210.346 2.515 20 70 BFIDRN CN(Cc1ccccc1Cl)C(=O)C(F)F ZINC000217608502 388571332 /nfs/dbraw/zinc/57/13/32/388571332.db2.gz PQGMZJWGZAAEEC-UHFFFAOYSA-N 0 0 233.645 2.564 20 70 BFIDRN C[C@H](NC(=O)C(F)F)c1ccccc1Cl ZINC000217622556 388571601 /nfs/dbraw/zinc/57/16/01/388571601.db2.gz SYARXKPPQKCQFG-LURJTMIESA-N 0 0 233.645 2.782 20 70 BFIDRN C[C@H]1CC[C@@H](CC(=O)N(C)Cc2cccn2C)C1 ZINC000160505243 133507670 /nfs/dbraw/zinc/50/76/70/133507670.db2.gz WCRRFZFPLDFPRD-QWHCGFSZSA-N 0 0 248.370 2.810 20 70 BFIDRN CC[C@@H](CCO)Nc1ncc(Cl)cc1Cl ZINC000217995549 134250819 /nfs/dbraw/zinc/25/08/19/134250819.db2.gz WQMGHMUPVASXFO-QMMMGPOBSA-N 0 0 249.141 2.961 20 70 BFIDRN CCc1ncnc(NCCC(F)(F)F)c1F ZINC000218050936 134251432 /nfs/dbraw/zinc/25/14/32/134251432.db2.gz YBSSNIFRTNOWFY-UHFFFAOYSA-N 0 0 237.200 2.542 20 70 BFIDRN CC1(CNc2ccc(C(F)(F)F)nn2)CC1 ZINC000218055827 134251623 /nfs/dbraw/zinc/25/16/23/134251623.db2.gz HDNLCPLLWFZECO-UHFFFAOYSA-N 0 0 231.221 2.707 20 70 BFIDRN CC[C@@H](C)c1cc(C(=O)Nc2ccccn2)on1 ZINC000159544960 134779481 /nfs/dbraw/zinc/77/94/81/134779481.db2.gz KLDNMFWDVMLIOV-SECBINFHSA-N 0 0 245.282 2.835 20 70 BFIDRN Cc1ccc2c(c1)nc(-c1ccn(C)c1)n2C ZINC000160267186 397754694 /nfs/dbraw/zinc/75/46/94/397754694.db2.gz HNXMZORRBINUAK-UHFFFAOYSA-N 0 0 225.295 2.887 20 70 BFIDRN C/C=C/C=C/C(=O)N1CCc2c(F)cccc2C1 ZINC000160965728 397772984 /nfs/dbraw/zinc/77/29/84/397772984.db2.gz GQULYOVFVPCRSI-CRBCFSCISA-N 0 0 245.297 2.843 20 70 BFIDRN CC(C)(C)C(=O)N1CC=C(C(F)(F)F)CC1 ZINC000160581361 166523893 /nfs/dbraw/zinc/52/38/93/166523893.db2.gz GNCMUXLWIZHMGG-UHFFFAOYSA-N 0 0 235.249 2.754 20 70 BFIDRN CCCC1(CNC(=O)c2oc(C)nc2C)CC1 ZINC000160564064 410622718 /nfs/dbraw/zinc/62/27/18/410622718.db2.gz NMJCSCVEHXVWDA-UHFFFAOYSA-N 0 0 236.315 2.602 20 70 BFIDRN CC(C)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000160411771 167081649 /nfs/dbraw/zinc/08/16/49/167081649.db2.gz VLWOGXVGUKDZAT-QMMMGPOBSA-N 0 0 227.254 2.593 20 70 BFIDRN CC1CC(Nc2nc(C3CC3)ns2)C1 ZINC000161422383 168147797 /nfs/dbraw/zinc/14/77/97/168147797.db2.gz KBNCORBFGKSZFA-UHFFFAOYSA-N 0 0 209.318 2.626 20 70 BFIDRN CCC(=CC(=O)N[C@@H](C)Cc1cc(C)n[nH]1)CC ZINC000161190070 168194624 /nfs/dbraw/zinc/19/46/24/168194624.db2.gz PVRZAPSPTCPBNJ-JTQLQIEISA-N 0 0 249.358 2.512 20 70 BFIDRN CCOCCCNC(=O)Nc1ccccc1C ZINC000217310795 170377961 /nfs/dbraw/zinc/37/79/61/170377961.db2.gz XBGPKMOIOMIDIQ-UHFFFAOYSA-N 0 0 236.315 2.543 20 70 BFIDRN CC[C@@H](SC)c1nc(-c2ccccn2)no1 ZINC000161249049 170948780 /nfs/dbraw/zinc/94/87/80/170948780.db2.gz GOLSURUOGQTHEE-SECBINFHSA-N 0 0 235.312 2.946 20 70 BFIDRN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(F)n1 ZINC000160823900 171360517 /nfs/dbraw/zinc/36/05/17/171360517.db2.gz NVXJMCUMBYCXAM-DTWKUNHWSA-N 0 0 224.279 2.841 20 70 BFIDRN CCc1noc(C)c1CSC[C@@H]1CCCO1 ZINC000159686089 172081009 /nfs/dbraw/zinc/08/10/09/172081009.db2.gz VTVZBZPERLEFCH-JTQLQIEISA-N 0 0 241.356 2.958 20 70 BFIDRN CCc1noc(C)c1CSCc1ccon1 ZINC000159808624 172081235 /nfs/dbraw/zinc/08/12/35/172081235.db2.gz UDUMTKAHZBEDRC-UHFFFAOYSA-N 0 0 238.312 2.967 20 70 BFIDRN CCn1cc(NC(=O)NCCC2=CCCC2)cn1 ZINC000160362111 172180900 /nfs/dbraw/zinc/18/09/00/172180900.db2.gz NPXNGIBRPUWRNX-UHFFFAOYSA-N 0 0 248.330 2.525 20 70 BFIDRN CN(C(=O)[C@@H]1CC1(C)C)c1ccc(F)cc1 ZINC000159651736 172324825 /nfs/dbraw/zinc/32/48/25/172324825.db2.gz ZJZAXLBQYIFRFX-NSHDSACASA-N 0 0 221.275 2.835 20 70 BFIDRN COCC(C)(C)C(=O)Nc1ccc(C)cc1F ZINC000160625092 174067197 /nfs/dbraw/zinc/06/71/97/174067197.db2.gz FIRHJESMZYEGOK-UHFFFAOYSA-N 0 0 239.290 2.745 20 70 BFIDRN COCC(C)(C)C(=O)Nc1cc(F)cc(F)c1 ZINC000160994539 174067403 /nfs/dbraw/zinc/06/74/03/174067403.db2.gz FOFNNDCLFUHMPR-UHFFFAOYSA-N 0 0 243.253 2.576 20 70 BFIDRN C[C@@]1(Nc2nc3ccccc3s2)CCOC1 ZINC000160076428 176540065 /nfs/dbraw/zinc/54/00/65/176540065.db2.gz DBSCEMMKXWVXRC-GFCCVEGCSA-N 0 0 234.324 2.887 20 70 BFIDRN CC(C)C[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC000159435002 322968672 /nfs/dbraw/zinc/96/86/72/322968672.db2.gz WNPDCFNCODNGEY-RYUDHWBXSA-N 0 0 223.360 2.927 20 70 BFIDRN CCc1ccccc1NC(=O)N[C@]1(C)CCOC1 ZINC000159524412 323035610 /nfs/dbraw/zinc/03/56/10/323035610.db2.gz BQJVMZMYHJZNTD-CQSZACIVSA-N 0 0 248.326 2.550 20 70 BFIDRN CCc1ccccc1NC(=O)N[C@@]1(C)CCOC1 ZINC000159524551 323035650 /nfs/dbraw/zinc/03/56/50/323035650.db2.gz BQJVMZMYHJZNTD-AWEZNQCLSA-N 0 0 248.326 2.550 20 70 BFIDRN Cc1ccc(NC(=O)[C@H]2CCCCO2)c(F)c1 ZINC000159574144 323038318 /nfs/dbraw/zinc/03/83/18/323038318.db2.gz GHEGNFAIBFCYFZ-GFCCVEGCSA-N 0 0 237.274 2.642 20 70 BFIDRN COc1ccc(N(C)C(=O)c2ccoc2)cc1F ZINC000159617088 323040445 /nfs/dbraw/zinc/04/04/45/323040445.db2.gz VRCGPXMYUCEIGU-UHFFFAOYSA-N 0 0 249.241 2.704 20 70 BFIDRN CCN(CC)C(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000159665052 323043413 /nfs/dbraw/zinc/04/34/13/323043413.db2.gz LGOSDWKLVGEXSB-NEPJUHHUSA-N 0 0 226.364 2.816 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)NCC1(C2CC2)CC1 ZINC000159713662 323044736 /nfs/dbraw/zinc/04/47/36/323044736.db2.gz VUZKVVDJYUVORH-AAEUAGOBSA-N 0 0 221.344 2.729 20 70 BFIDRN Cc1cc(OCCCSCC(C)C)nn1C ZINC000159726667 323045198 /nfs/dbraw/zinc/04/51/98/323045198.db2.gz LOGCSQGYOMGGKY-UHFFFAOYSA-N 0 0 242.388 2.887 20 70 BFIDRN CNC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC000160003206 323057453 /nfs/dbraw/zinc/05/74/53/323057453.db2.gz ZIANHUZPQIZVDN-QWHCGFSZSA-N 0 0 241.375 2.888 20 70 BFIDRN c1cc(CSc2ccncc2)ccn1 ZINC000160022620 323057819 /nfs/dbraw/zinc/05/78/19/323057819.db2.gz TVPOPPHGKUHFEN-UHFFFAOYSA-N 0 0 202.282 2.769 20 70 BFIDRN Cc1ccccc1OCCNC(=O)[C@H]1CC1(C)C ZINC000160026455 323057936 /nfs/dbraw/zinc/05/79/36/323057936.db2.gz GBSDFFFZMXRQJY-GFCCVEGCSA-N 0 0 247.338 2.536 20 70 BFIDRN COCc1ccc(C(=O)Nc2cccc(C)c2)o1 ZINC000160038391 323058147 /nfs/dbraw/zinc/05/81/47/323058147.db2.gz QDLIYQBXWPFOAJ-UHFFFAOYSA-N 0 0 245.278 2.987 20 70 BFIDRN CC[C@H](C)C(=O)N[C@H]1CCc2c1cccc2OC ZINC000160152284 323061530 /nfs/dbraw/zinc/06/15/30/323061530.db2.gz LOKFMQKOXIVBQE-GWCFXTLKSA-N 0 0 247.338 2.845 20 70 BFIDRN COc1cccnc1NCCCC(F)(F)F ZINC000160256224 323064540 /nfs/dbraw/zinc/06/45/40/323064540.db2.gz ROAUMEMBBBWXSV-UHFFFAOYSA-N 0 0 234.221 2.845 20 70 BFIDRN Cc1cccc(OCCNC(=O)OC(C)C)c1 ZINC000160466430 323067876 /nfs/dbraw/zinc/06/78/76/323067876.db2.gz SEQTYQBKAFHAHJ-UHFFFAOYSA-N 0 0 237.299 2.508 20 70 BFIDRN CCOc1ccccc1N(C)CC1CC1 ZINC000159412611 323075138 /nfs/dbraw/zinc/07/51/38/323075138.db2.gz DFMDRNWBMOHJQV-UHFFFAOYSA-N 0 0 205.301 2.932 20 70 BFIDRN CC(C)[C@H](C)CC(=O)NCC1(C2CC2)CC1 ZINC000160033514 323075322 /nfs/dbraw/zinc/07/53/22/323075322.db2.gz DGFAHXVJGAHIFQ-LLVKDONJSA-N 0 0 223.360 2.975 20 70 BFIDRN CCCC1(CNC(=O)[C@@H](C)C2CC2)CC1 ZINC000160730609 323104322 /nfs/dbraw/zinc/10/43/22/323104322.db2.gz MRLZNWQLHCJAEK-JTQLQIEISA-N 0 0 209.333 2.729 20 70 BFIDRN CCCCO[C@@H](C)C(=O)NCC1(CCC)CC1 ZINC000160844205 323136547 /nfs/dbraw/zinc/13/65/47/323136547.db2.gz RHZFCZZJQHKGEN-LBPRGKRZSA-N 0 0 241.375 2.888 20 70 BFIDRN CC(C)C[C@@H](C)CC(=O)N[C@H](CO)CC(C)C ZINC000160911859 323138966 /nfs/dbraw/zinc/13/89/66/323138966.db2.gz BOXYHQGVSJVZAW-OLZOCXBDSA-N 0 0 243.391 2.582 20 70 BFIDRN CCCNC(=O)c1cccc(SCC)c1 ZINC000160944807 323139861 /nfs/dbraw/zinc/13/98/61/323139861.db2.gz ATCFDSMEKIJFRQ-UHFFFAOYSA-N 0 0 223.341 2.938 20 70 BFIDRN CS[C@@H](C)CC(=O)NC[C@@H]1CC=CCC1 ZINC000161277192 323485500 /nfs/dbraw/zinc/48/55/00/323485500.db2.gz QTCNQKPFWSJECU-WDEREUQCSA-N 0 0 227.373 2.601 20 70 BFIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCCOC ZINC000161297709 323493678 /nfs/dbraw/zinc/49/36/78/323493678.db2.gz MUMPEKWSXDSTEZ-CHWSQXEVSA-N 0 0 241.375 2.840 20 70 BFIDRN COCC(C)(C)c1nc(-c2cccs2)no1 ZINC000161348668 323495882 /nfs/dbraw/zinc/49/58/82/323495882.db2.gz XMLGXWHKACWXHF-UHFFFAOYSA-N 0 0 238.312 2.722 20 70 BFIDRN Cc1cccc(C(=O)N2[C@H](C)CC[C@H]2C)c1O ZINC000161397896 323511681 /nfs/dbraw/zinc/51/16/81/323511681.db2.gz AVOBGAWTBQOCHL-GHMZBOCLSA-N 0 0 233.311 2.714 20 70 BFIDRN CCC[C@H](CC)NC(=O)C[C@H](C)SC ZINC000161492918 323535118 /nfs/dbraw/zinc/53/51/18/323535118.db2.gz MSYWMERJOHEFBG-UWVGGRQHSA-N 0 0 217.378 2.823 20 70 BFIDRN CC1=CCN(c2ccc(Cl)cn2)CC1 ZINC000160054034 488194408 /nfs/dbraw/zinc/19/44/08/488194408.db2.gz MLGXEIQHHOQICF-UHFFFAOYSA-N 0 0 208.692 2.891 20 70 BFIDRN CC1(C)C[C@@H]1CNc1ncnc2c1CCCC2 ZINC000217804839 490485033 /nfs/dbraw/zinc/48/50/33/490485033.db2.gz MODLMXINUBYOTP-SNVBAGLBSA-N 0 0 231.343 2.813 20 70 BFIDRN CCC[C@@H](C)Nc1ncnc(CC)c1F ZINC000217963658 490491647 /nfs/dbraw/zinc/49/16/47/490491647.db2.gz VVOHCLXEMVVAOV-MRVPVSSYSA-N 0 0 211.284 2.779 20 70 BFIDRN CCc1ncnc(NC[C@@H](C)C2CC2)c1F ZINC000217988991 490492997 /nfs/dbraw/zinc/49/29/97/490492997.db2.gz LAMHOWUDVQAGLE-MRVPVSSYSA-N 0 0 223.295 2.636 20 70 BFIDRN C/C=C/COC(=O)COc1ccc(CC)cc1 ZINC000217395477 592106753 /nfs/dbraw/zinc/10/67/53/592106753.db2.gz BJKIELMIIFHPQB-HWKANZROSA-N 0 0 234.295 2.747 20 70 BFIDRN C[C@@H](CNc1nc(Cl)cs1)[N@H+](C)C1CC1 ZINC000218687451 592173156 /nfs/dbraw/zinc/17/31/56/592173156.db2.gz IIQMAJCPCGIQES-ZETCQYMHSA-N 0 0 245.779 2.691 20 70 BFIDRN C[C@H](CC(=O)NCC1(C)CCC1)c1ccncc1 ZINC000161296707 538915286 /nfs/dbraw/zinc/91/52/86/538915286.db2.gz KCMHMKNMOTXUTH-GFCCVEGCSA-N 0 0 246.354 2.882 20 70 BFIDRN CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(C)nc1 ZINC000161378282 538915376 /nfs/dbraw/zinc/91/53/76/538915376.db2.gz CXINZUSGWNSKHB-MWLCHTKSSA-N 0 0 235.331 2.946 20 70 BFIDRN CC(C)(C(=O)NC1CC=CC1)c1cccc(F)c1 ZINC000160807667 538912924 /nfs/dbraw/zinc/91/29/24/538912924.db2.gz YQGPPCZYBYFTKC-UHFFFAOYSA-N 0 0 247.313 2.938 20 70 BFIDRN C[C@@H](CO)CSc1ccc(F)cc1F ZINC000160823806 538912957 /nfs/dbraw/zinc/91/29/57/538912957.db2.gz RUMYMLGFVCALCD-ZETCQYMHSA-N 0 0 218.268 2.685 20 70 BFIDRN O=C(NC1CC=CC1)C1(c2cccc(F)c2)CC1 ZINC000160928054 538913236 /nfs/dbraw/zinc/91/32/36/538913236.db2.gz PXULNURTZSCETF-UHFFFAOYSA-N 0 0 245.297 2.692 20 70 BFIDRN CCC1(C(=O)NC2CC=CC2)CCCC1 ZINC000160882271 538913257 /nfs/dbraw/zinc/91/32/57/538913257.db2.gz GIUPWKBEXORHAQ-UHFFFAOYSA-N 0 0 207.317 2.792 20 70 BFIDRN Cn1ccc2c1cccc2C(=O)NC1CC=CC1 ZINC000160943944 538913259 /nfs/dbraw/zinc/91/32/59/538913259.db2.gz VVTJXGVNPFJJSJ-UHFFFAOYSA-N 0 0 240.306 2.627 20 70 BFIDRN C[C@H](CC(=O)N1CCC[C@H]1C)c1ccncc1 ZINC000160925009 538913357 /nfs/dbraw/zinc/91/33/57/538913357.db2.gz HXUDFFABBYOQNR-VXGBXAGGSA-N 0 0 232.327 2.586 20 70 BFIDRN Cc1ccc(CCNC(=O)CCC(C)(C)C)cn1 ZINC000159787149 398192964 /nfs/dbraw/zinc/19/29/64/398192964.db2.gz KMADWAOOUIXDQS-UHFFFAOYSA-N 0 0 248.370 2.875 20 70 BFIDRN Cc1cc(OCc2ccc(F)cc2F)nn1C ZINC000159723177 178212031 /nfs/dbraw/zinc/21/20/31/178212031.db2.gz YKPCWEQUELJNTA-UHFFFAOYSA-N 0 0 238.237 2.586 20 70 BFIDRN CCC(CC)CNC(=O)N(C)Cc1ccncc1 ZINC000160571575 168355636 /nfs/dbraw/zinc/35/56/36/168355636.db2.gz JGSQCWUFWRQMJB-UHFFFAOYSA-N 0 0 249.358 2.659 20 70 BFIDRN CCCCCOCC(=O)N[C@@H]1CCC[C@H]1CC ZINC000159552426 398342086 /nfs/dbraw/zinc/34/20/86/398342086.db2.gz PTTGDAFVHDHVSS-CHWSQXEVSA-N 0 0 241.375 2.888 20 70 BFIDRN Cc1nc(CN[C@H](C)c2cscn2)cs1 ZINC000161159189 343203857 /nfs/dbraw/zinc/20/38/57/343203857.db2.gz SQPKNRJAICCLRF-SSDOTTSWSA-N 0 0 239.369 2.759 20 70 BFIDRN CCC1(C(=O)Nc2ccc(OC)c(N)c2)CCC1 ZINC000161145123 168441991 /nfs/dbraw/zinc/44/19/91/168441991.db2.gz LPLDXPZESMEDEX-UHFFFAOYSA-N 0 0 248.326 2.796 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ncccc1C ZINC000159876620 323051574 /nfs/dbraw/zinc/05/15/74/323051574.db2.gz ICCNCSHMHYSPNE-ZWNOBZJWSA-N 0 0 218.300 2.765 20 70 BFIDRN CCCCCN1C(=O)CC[C@H](CCC)C1=O ZINC000159877298 323051712 /nfs/dbraw/zinc/05/17/12/323051712.db2.gz NOVIDDXXOXDUTI-NSHDSACASA-N 0 0 225.332 2.742 20 70 BFIDRN CC[C@H](CC(=O)N[C@H](CO)CC(C)C)C(C)C ZINC000161203324 323075864 /nfs/dbraw/zinc/07/58/64/323075864.db2.gz ZCIZXOXDSOHBAE-OLZOCXBDSA-N 0 0 243.391 2.582 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)CC(F)(F)F ZINC000159523854 345439775 /nfs/dbraw/zinc/43/97/75/345439775.db2.gz DGOHHXCEAOYATC-SFYZADRCSA-N 0 0 223.238 2.634 20 70 BFIDRN CCOC(C)(C)CNc1ncnc2c1CCCC2 ZINC000159533922 345441313 /nfs/dbraw/zinc/44/13/13/345441313.db2.gz SQGDQJDBCYEWNX-UHFFFAOYSA-N 0 0 249.358 2.582 20 70 BFIDRN Cc1ccoc1CNc1cc(C(N)=O)ccc1C ZINC000160014589 345786970 /nfs/dbraw/zinc/78/69/70/345786970.db2.gz ZUPOZUWJMFIZQA-UHFFFAOYSA-N 0 0 244.294 2.607 20 70 BFIDRN Cc1cccc(C(=O)N(C)CC2CC2)c1F ZINC000161466823 179004303 /nfs/dbraw/zinc/00/43/03/179004303.db2.gz ZDEQROBYPVPKDD-UHFFFAOYSA-N 0 0 221.275 2.616 20 70 BFIDRN Cc1cccc(Cn2cnc(C(C)C)cc2=O)c1 ZINC000160721480 179109839 /nfs/dbraw/zinc/10/98/39/179109839.db2.gz KBIAKSFIOXXNSY-UHFFFAOYSA-N 0 0 242.322 2.723 20 70 BFIDRN Cc1cccc(N[C@H]2CCOC(C)(C)C2)n1 ZINC000159996280 179157145 /nfs/dbraw/zinc/15/71/45/179157145.db2.gz RPBGMWKFKFKVOW-NSHDSACASA-N 0 0 220.316 2.760 20 70 BFIDRN CO[C@@H](C)[C@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000161230712 362800569 /nfs/dbraw/zinc/80/05/69/362800569.db2.gz UBUOVOIDYCTRNH-QWRGUYRKSA-N 0 0 245.326 2.912 20 70 BFIDRN CCN(C)C(=O)N(Cc1ccccc1)C(C)C ZINC000160334089 347358517 /nfs/dbraw/zinc/35/85/17/347358517.db2.gz IUWUHWHDSKYIOH-UHFFFAOYSA-N 0 0 234.343 2.969 20 70 BFIDRN CCN(C)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000161166253 323149575 /nfs/dbraw/zinc/14/95/75/323149575.db2.gz ULDUYQQPNNUJRO-UWVGGRQHSA-N 0 0 223.341 2.638 20 70 BFIDRN CCN(C)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000161166114 323149683 /nfs/dbraw/zinc/14/96/83/323149683.db2.gz ULDUYQQPNNUJRO-VHSXEESVSA-N 0 0 223.341 2.638 20 70 BFIDRN CC[C@H]1CCCN(C(=O)N2CCC(C)CC2)C1 ZINC000160364974 347710519 /nfs/dbraw/zinc/71/05/19/347710519.db2.gz WDSAWQIQBQJVCH-ZDUSSCGKSA-N 0 0 238.375 2.960 20 70 BFIDRN CC1CCN(C(=O)N2CCCC(C)(C)C2)CC1 ZINC000160590252 349261766 /nfs/dbraw/zinc/26/17/66/349261766.db2.gz ZPFNIVMLXBXPDM-UHFFFAOYSA-N 0 0 238.375 2.960 20 70 BFIDRN Cc1ccn(-c2ccccc2NC(=O)C(C)C)n1 ZINC000161107135 349375180 /nfs/dbraw/zinc/37/51/80/349375180.db2.gz RTKDXJHNOPLBTA-UHFFFAOYSA-N 0 0 243.310 2.775 20 70 BFIDRN Cc1ccn(-c2ccccc2NC(=O)C2CC2)n1 ZINC000161319100 349421714 /nfs/dbraw/zinc/42/17/14/349421714.db2.gz MJQCOSRHYWZVLB-UHFFFAOYSA-N 0 0 241.294 2.529 20 70 BFIDRN CC(C)c1nnc(N2CCCCC2)s1 ZINC000159810955 351004468 /nfs/dbraw/zinc/00/44/68/351004468.db2.gz OROOOGBRVPIDFA-UHFFFAOYSA-N 0 0 211.334 2.652 20 70 BFIDRN CCOCCCN1CCc2ccc(C)cc21 ZINC000159817238 351005973 /nfs/dbraw/zinc/00/59/73/351005973.db2.gz JVLVOOQXOVKMFB-UHFFFAOYSA-N 0 0 219.328 2.784 20 70 BFIDRN CCn1nccc1CN(C)Cc1ccc(F)cc1 ZINC000161146637 351085131 /nfs/dbraw/zinc/08/51/31/351085131.db2.gz JUQUQLVZTRDUPY-UHFFFAOYSA-N 0 0 247.317 2.674 20 70 BFIDRN CC(C)CNC(=O)NCC(C(C)C)C(C)C ZINC000217765560 363128976 /nfs/dbraw/zinc/12/89/76/363128976.db2.gz AZWFYAUMPUKRLF-UHFFFAOYSA-N 0 0 228.380 2.870 20 70 BFIDRN CSCCC(=O)N[C@H](C)CC(C)(C)C ZINC000218466090 363129371 /nfs/dbraw/zinc/12/93/71/363129371.db2.gz HGOHUVOPCVOLAF-SECBINFHSA-N 0 0 217.378 2.680 20 70 BFIDRN CCC(C)(CC)C(=O)Nc1ccncc1F ZINC000159516793 538111447 /nfs/dbraw/zinc/11/14/47/538111447.db2.gz OYRRRVWJHSXRBF-UHFFFAOYSA-N 0 0 224.279 2.986 20 70 BFIDRN CC(=O)c1ccnc(N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000159909752 538111494 /nfs/dbraw/zinc/11/14/94/538111494.db2.gz XYPBYCYPPIOVRR-CHWSQXEVSA-N 0 0 230.311 2.521 20 70 BFIDRN CC(C)n1nccc1C(=O)N1CCCCCCC1 ZINC000161224136 188159159 /nfs/dbraw/zinc/15/91/59/188159159.db2.gz CSXVGKVFNNIMMB-UHFFFAOYSA-N 0 0 249.358 2.870 20 70 BFIDRN COc1cccnc1NC[C@H]1CCCCS1 ZINC000160253177 355760718 /nfs/dbraw/zinc/76/07/18/355760718.db2.gz WIVSLCFGHDZMFN-SNVBAGLBSA-N 0 0 238.356 2.788 20 70 BFIDRN CCCCCn1cnc(C(C)C)cc1=O ZINC000160844722 168751938 /nfs/dbraw/zinc/75/19/38/168751938.db2.gz KYINMDXZKNMOGJ-UHFFFAOYSA-N 0 0 208.305 2.557 20 70 BFIDRN CC[C@@H](C)[C@H](C)Nc1ncccc1OC ZINC000159468447 538877042 /nfs/dbraw/zinc/87/70/42/538877042.db2.gz WVKNXFBZQGHILS-ZJUUUORDSA-N 0 0 208.305 2.937 20 70 BFIDRN CCC(C)(CC)C(=O)Nc1ccc2n[nH]nc2c1 ZINC000159463901 538877291 /nfs/dbraw/zinc/87/72/91/538877291.db2.gz WSGHLMKOZYUUIS-UHFFFAOYSA-N 0 0 246.314 2.723 20 70 BFIDRN CCC(C)(CC)C(=O)NCC[C@@H]1CCCCO1 ZINC000159462379 538877299 /nfs/dbraw/zinc/87/72/99/538877299.db2.gz KWDAUCAZETYKQE-LBPRGKRZSA-N 0 0 241.375 2.888 20 70 BFIDRN C[C@@H](CC(=O)NCCCC1CC1)c1ccncc1 ZINC000160703510 538885850 /nfs/dbraw/zinc/88/58/50/538885850.db2.gz SITDKIUASKMEHE-LBPRGKRZSA-N 0 0 246.354 2.882 20 70 BFIDRN CC1(C)C[C@@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000218016748 134250578 /nfs/dbraw/zinc/25/05/78/134250578.db2.gz CYOUYPABZZBWHL-SSDOTTSWSA-N 0 0 245.248 2.953 20 70 BFIDRN CC[C@@H]1C[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000218020098 134250956 /nfs/dbraw/zinc/25/09/56/134250956.db2.gz ONKCGDZDDLXIGO-RQJHMYQMSA-N 0 0 231.221 2.706 20 70 BFIDRN O=c1c2ccccc2ccn1Cc1nccs1 ZINC000161208160 200709327 /nfs/dbraw/zinc/70/93/27/200709327.db2.gz CINQMUDBVMEBRK-UHFFFAOYSA-N 0 0 242.303 2.506 20 70 BFIDRN Cc1occc1C(=O)N[C@H]1CC[C@H](C)C1 ZINC000159769411 361288886 /nfs/dbraw/zinc/28/88/86/361288886.db2.gz KZZCDBFKPGNPCB-WPRPVWTQSA-N 0 0 207.273 2.506 20 70 BFIDRN Cc1ccc(CNC(=O)N2CCC[C@@H](C)C2)o1 ZINC000160513280 361256714 /nfs/dbraw/zinc/25/67/14/361256714.db2.gz NCIIIMDDKDNIKL-SNVBAGLBSA-N 0 0 236.315 2.530 20 70 BFIDRN O=C(NCCC1=CCCC1)Nc1cccnc1 ZINC000160956608 182151462 /nfs/dbraw/zinc/15/14/62/182151462.db2.gz ZCQONKNVHGHBSU-UHFFFAOYSA-N 0 0 231.299 2.704 20 70 BFIDRN CCOC(=O)C(C)(C)c1csc(CC)n1 ZINC000159761370 170187895 /nfs/dbraw/zinc/18/78/95/170187895.db2.gz DPKKLEXHMOYOFM-UHFFFAOYSA-N 0 0 227.329 2.546 20 70 BFIDRN CCCOC(=O)[C@@H](C)Sc1ccncc1 ZINC000159956536 169300087 /nfs/dbraw/zinc/30/00/87/169300087.db2.gz FTBBHMRYVCWXFY-SECBINFHSA-N 0 0 225.313 2.515 20 70 BFIDRN CCCOc1cccc(CC(=O)N(CC)CC)c1 ZINC000160863186 169324203 /nfs/dbraw/zinc/32/42/03/169324203.db2.gz FZNCUDRLJSSDKU-UHFFFAOYSA-N 0 0 249.354 2.886 20 70 BFIDRN CCC[C@@H](C)CC(=O)N(C)Cc1cccn1C ZINC000160390582 169354385 /nfs/dbraw/zinc/35/43/85/169354385.db2.gz ZKKNMPARWZOWHG-GFCCVEGCSA-N 0 0 236.359 2.810 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)c1cc[nH]c1C ZINC000159792810 384356041 /nfs/dbraw/zinc/35/60/41/384356041.db2.gz DIUCOOIFXPIDIZ-CMPLNLGQSA-N 0 0 220.316 2.632 20 70 BFIDRN CCc1cc(N[C@H]2CCOC(C)(C)C2)nc(C)n1 ZINC000159997115 384374777 /nfs/dbraw/zinc/37/47/77/384374777.db2.gz PDSWVLVGXQTGTB-LBPRGKRZSA-N 0 0 249.358 2.717 20 70 BFIDRN CCCC1(CNC(=O)NCc2ccco2)CC1 ZINC000160234560 384396248 /nfs/dbraw/zinc/39/62/48/384396248.db2.gz BQOVYYMCVVFKIY-UHFFFAOYSA-N 0 0 236.315 2.659 20 70 BFIDRN CN(Cc1ccncc1)C(=O)N1CCCCCC1 ZINC000160362657 384403473 /nfs/dbraw/zinc/40/34/73/384403473.db2.gz DIMFRUWGMLIEFL-UHFFFAOYSA-N 0 0 247.342 2.509 20 70 BFIDRN CC(C)n1cccc1C(=O)NCc1ccco1 ZINC000160430693 384410226 /nfs/dbraw/zinc/41/02/26/384410226.db2.gz UTVLWCOGUNEZCX-UHFFFAOYSA-N 0 0 232.283 2.592 20 70 BFIDRN CC[C@@H](C)NC(=O)c1cccn1C(C)C ZINC000160460277 384414786 /nfs/dbraw/zinc/41/47/86/384414786.db2.gz ABSASUGWQWBPRS-SNVBAGLBSA-N 0 0 208.305 2.597 20 70 BFIDRN CS[C@@H](C)CC(=O)N(C)c1ccc(F)cc1 ZINC000160476333 384415718 /nfs/dbraw/zinc/41/57/18/384415718.db2.gz XJJLKPURKDQFLE-VIFPVBQESA-N 0 0 241.331 2.930 20 70 BFIDRN CCN(C)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000160507782 384417704 /nfs/dbraw/zinc/41/77/04/384417704.db2.gz IRNYWPNJPWCUEZ-ZDUSSCGKSA-N 0 0 232.327 2.548 20 70 BFIDRN O=C(CN1C[C@@H]2CCC[C@@H]2C1)c1ccccc1F ZINC000160022081 384379217 /nfs/dbraw/zinc/37/92/17/384379217.db2.gz YKFVQWIAAHPLAD-TXEJJXNPSA-N 0 0 247.313 2.740 20 70 BFIDRN CCCCN(C)C(=O)/C=C/c1cncc(C)c1 ZINC000160946032 384449469 /nfs/dbraw/zinc/44/94/69/384449469.db2.gz OQGMVBNNJUMTPO-VOTSOKGWSA-N 0 0 232.327 2.662 20 70 BFIDRN CC1(C)C[C@H]1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000160844960 384440518 /nfs/dbraw/zinc/44/05/18/384440518.db2.gz VUSRYPSSSYXVKX-QWHCGFSZSA-N 0 0 247.313 2.975 20 70 BFIDRN C[C@@H](C(=O)N1CCc2c(F)cccc2C1)C1CC1 ZINC000161058540 384460839 /nfs/dbraw/zinc/46/08/39/384460839.db2.gz MCFXQYQVFNVYKV-SNVBAGLBSA-N 0 0 247.313 2.757 20 70 BFIDRN CC(=O)c1cccc(NC(=O)NC2(C)CCC2)c1 ZINC000159896177 384521492 /nfs/dbraw/zinc/52/14/92/384521492.db2.gz XZDKWDOXILPSEX-UHFFFAOYSA-N 0 0 246.310 2.953 20 70 BFIDRN CC[C@H]1CC[C@H](C)N1C(=O)NC1CCCC1 ZINC000161489610 385101074 /nfs/dbraw/zinc/10/10/74/385101074.db2.gz JCIUOPCVLWILCP-JQWIXIFHSA-N 0 0 224.348 2.902 20 70 BFIDRN CC(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159625716 385703536 /nfs/dbraw/zinc/70/35/36/385703536.db2.gz DNLIUUGFDZIQDN-VIFPVBQESA-N 0 0 221.325 2.781 20 70 BFIDRN O=C(N1C[C@@H]2CCC[C@H]2C1)N1CCCCCC1 ZINC000160730091 385759130 /nfs/dbraw/zinc/75/91/30/385759130.db2.gz YVGAIKLRFHJMGR-STQMWFEESA-N 0 0 236.359 2.714 20 70 BFIDRN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(F)cn1 ZINC000161432325 385765162 /nfs/dbraw/zinc/76/51/62/385765162.db2.gz OIEIOORDJOGTCP-LPEHRKFASA-N 0 0 208.280 2.527 20 70 BFIDRN CCc1ccccc1C(=O)N[C@H](C)CC ZINC000160074055 385820674 /nfs/dbraw/zinc/82/06/74/385820674.db2.gz RGWQDRZPJFHRLH-SNVBAGLBSA-N 0 0 205.301 2.777 20 70 BFIDRN Cc1ccc(NC(=O)NCC2CCCC2)nc1 ZINC000217578624 385886630 /nfs/dbraw/zinc/88/66/30/385886630.db2.gz HIIVXBTWCHRHAC-UHFFFAOYSA-N 0 0 233.315 2.702 20 70 BFIDRN O=C(NCCC1=CCCC1)c1ccccc1O ZINC000160237684 386164555 /nfs/dbraw/zinc/16/45/55/386164555.db2.gz PKMNTXWADRCIIN-UHFFFAOYSA-N 0 0 231.295 2.622 20 70 BFIDRN COCCCCCn1nc(C2CC2)nc1C1CC1 ZINC000161434827 387212957 /nfs/dbraw/zinc/21/29/57/387212957.db2.gz PCXOERRXGSMZCM-UHFFFAOYSA-N 0 0 249.358 2.850 20 70 BFIDRN COc1cccc(C(=O)N2[C@H](C)CC[C@H]2C)c1 ZINC000161457989 387218848 /nfs/dbraw/zinc/21/88/48/387218848.db2.gz DGOKXBGUAPJFCP-GHMZBOCLSA-N 0 0 233.311 2.708 20 70 BFIDRN CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CCCCO1 ZINC000159471984 388017078 /nfs/dbraw/zinc/01/70/78/388017078.db2.gz FNVTWUMLLRPTJZ-OLZOCXBDSA-N 0 0 241.375 2.887 20 70 BFIDRN C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000217656216 388378867 /nfs/dbraw/zinc/37/88/67/388378867.db2.gz OCRZYKLLFQQENB-ZCFIWIBFSA-N 0 0 227.226 2.852 20 70 BFIDRN CN(Cc1cccc(Cl)c1)C(=O)C(F)F ZINC000217612377 388570945 /nfs/dbraw/zinc/57/09/45/388570945.db2.gz DFMVOVNWJFENEU-UHFFFAOYSA-N 0 0 233.645 2.564 20 70 BFIDRN C[C@@H](NC(=O)C(F)F)c1ccc(Cl)cc1 ZINC000217632776 388571606 /nfs/dbraw/zinc/57/16/06/388571606.db2.gz NGCKOBMWOADHEF-ZCFIWIBFSA-N 0 0 233.645 2.782 20 70 BFIDRN COc1ccnc(NC[C@@H]2CCC[C@H](C)C2)n1 ZINC000217925763 134250947 /nfs/dbraw/zinc/25/09/47/134250947.db2.gz SGIQNNWPAXOZCZ-WDEREUQCSA-N 0 0 235.331 2.723 20 70 BFIDRN CCc1ncnc(NC2(C)CCCC2)c1F ZINC000217991462 134251129 /nfs/dbraw/zinc/25/11/29/134251129.db2.gz ALAGZNKISQVISO-UHFFFAOYSA-N 0 0 223.295 2.923 20 70 BFIDRN CCc1ncnc(N[C@@H]2CCC[C@H]2C)c1F ZINC000218008271 134251317 /nfs/dbraw/zinc/25/13/17/134251317.db2.gz MHJAIUCDALVEBL-PSASIEDQSA-N 0 0 223.295 2.779 20 70 BFIDRN OCCCSC/C=C\c1ccccc1 ZINC000218051276 134251591 /nfs/dbraw/zinc/25/15/91/134251591.db2.gz BKTQIEHRSLDSMF-YWEYNIOJSA-N 0 0 208.326 2.815 20 70 BFIDRN C[C@@H]1CCC[C@H](C(=O)NCCc2cccnc2)C1 ZINC000159810834 134791890 /nfs/dbraw/zinc/79/18/90/134791890.db2.gz VWJZJDIQDAPECP-OCCSQVGLSA-N 0 0 246.354 2.567 20 70 BFIDRN CCn1cncc1CNc1ccc(F)c(OC)c1 ZINC000159910379 134794698 /nfs/dbraw/zinc/79/46/98/134794698.db2.gz VSPAKJCMXLBPKI-UHFFFAOYSA-N 0 0 249.289 2.663 20 70 BFIDRN CC(C)C[C@@H](C)NC(=O)N[C@H]1C=CCCC1 ZINC000160266848 397754230 /nfs/dbraw/zinc/75/42/30/397754230.db2.gz WKGPQKAOMZZOAP-NEPJUHHUSA-N 0 0 224.348 2.829 20 70 BFIDRN CC(C)n1cccc1C(=O)N1CCC[C@@H](C)C1 ZINC000160961101 487599523 /nfs/dbraw/zinc/59/95/23/487599523.db2.gz ALCGYJXCIKQNKM-GFCCVEGCSA-N 0 0 234.343 2.941 20 70 BFIDRN CCN(CC)C(=O)c1cc(C)c(F)c(C)c1 ZINC000160970173 169759333 /nfs/dbraw/zinc/75/93/33/169759333.db2.gz DQJZRKJWPOTTGV-UHFFFAOYSA-N 0 0 223.291 2.925 20 70 BFIDRN CC[S@@](=O)c1ncc(C(C)(C)C)s1 ZINC000160562611 410622738 /nfs/dbraw/zinc/62/27/38/410622738.db2.gz ROESIQWOSWALNL-ZDUSSCGKSA-N 0 0 217.359 2.568 20 70 BFIDRN CC(C)OC(=O)NCCc1cc(F)cc(F)c1 ZINC000160516129 167163528 /nfs/dbraw/zinc/16/35/28/167163528.db2.gz ZRDMTABOBHEHSG-UHFFFAOYSA-N 0 0 243.253 2.642 20 70 BFIDRN CC(C)c1cc(C(=O)Nc2ccc(F)nc2)no1 ZINC000161254941 167568446 /nfs/dbraw/zinc/56/84/46/167568446.db2.gz DUTVSDBGQQXAAY-UHFFFAOYSA-N 0 0 249.245 2.584 20 70 BFIDRN CC1=CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000160164769 168108710 /nfs/dbraw/zinc/10/87/10/168108710.db2.gz HHMPUTSNIQPRMP-UHFFFAOYSA-N 0 0 240.306 2.960 20 70 BFIDRN CC(C)[C@H]1CCCN1C(=O)N1CCC(C)CC1 ZINC000160645656 168173604 /nfs/dbraw/zinc/17/36/04/168173604.db2.gz RJBHVDBYQUWQNL-CYBMUJFWSA-N 0 0 238.375 2.959 20 70 BFIDRN CC1CCN(C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000160303031 168173816 /nfs/dbraw/zinc/17/38/16/168173816.db2.gz QGJJUXDYIRPYPC-STQMWFEESA-N 0 0 238.375 2.816 20 70 BFIDRN CC[C@@H](C(=O)NCC(F)F)c1ccc(F)cc1 ZINC000160636273 170662539 /nfs/dbraw/zinc/66/25/39/170662539.db2.gz ZRPUDXQYTCEUDF-SNVBAGLBSA-N 0 0 245.244 2.701 20 70 BFIDRN CC[C@@H](NC(=O)C(C)(C)C)c1c(C)noc1C ZINC000160539385 170874782 /nfs/dbraw/zinc/87/47/82/170874782.db2.gz DHTDBRYVBJUTOK-SNVBAGLBSA-N 0 0 238.331 2.905 20 70 BFIDRN CC[C@@H](SC)c1nc(-c2ccncc2)no1 ZINC000161337796 170948776 /nfs/dbraw/zinc/94/87/76/170948776.db2.gz ARALEDLLHHBBKP-SECBINFHSA-N 0 0 235.312 2.946 20 70 BFIDRN CC[C@H](C)N(C)c1ccnc(C2CC2)n1 ZINC000160439513 171309728 /nfs/dbraw/zinc/30/97/28/171309728.db2.gz BXXOSUUETYLIBX-VIFPVBQESA-N 0 0 205.305 2.589 20 70 BFIDRN CCc1ncnc(NC(C2CC2)C2CC2)c1F ZINC000217963967 172032037 /nfs/dbraw/zinc/03/20/37/172032037.db2.gz HIHZMWALRNYTJA-UHFFFAOYSA-N 0 0 235.306 2.779 20 70 BFIDRN COCC(C)(C)C(=O)Oc1ccc(C)cc1 ZINC000160487361 174068085 /nfs/dbraw/zinc/06/80/85/174068085.db2.gz XAMRCSLBOXRQDV-UHFFFAOYSA-N 0 0 222.284 2.573 20 70 BFIDRN COc1cc(NCC2CCOCC2)ccc1F ZINC000160035063 175001403 /nfs/dbraw/zinc/00/14/03/175001403.db2.gz YMCDAKHRXRIPJD-UHFFFAOYSA-N 0 0 239.290 2.673 20 70 BFIDRN COc1cc(N[C@@H](C)c2cnn(C)c2)ccc1F ZINC000159963659 175004338 /nfs/dbraw/zinc/00/43/38/175004338.db2.gz ROKRNXNHZBNGRU-VIFPVBQESA-N 0 0 249.289 2.741 20 70 BFIDRN C[C@@H](CO)Sc1ccc(C(F)(F)F)cn1 ZINC000160954360 175759904 /nfs/dbraw/zinc/75/99/04/175759904.db2.gz ONQBCYBPBTXNAW-LURJTMIESA-N 0 0 237.246 2.573 20 70 BFIDRN C[C@H]1CC(Nc2cccc(F)n2)C[C@H](C)O1 ZINC000161057659 177065806 /nfs/dbraw/zinc/06/58/06/177065806.db2.gz XRVKEJBOGXWBOB-IUCAKERBSA-N 0 0 224.279 2.589 20 70 BFIDRN C[C@@]1(C(=O)NCC2CC2)CCCc2ccccc21 ZINC000159493900 322972075 /nfs/dbraw/zinc/97/20/75/322972075.db2.gz QREYGDJUUJYJBY-MRXNPFEDSA-N 0 0 243.350 2.807 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000159533547 323035867 /nfs/dbraw/zinc/03/58/67/323035867.db2.gz MQCSTXILCHSEEH-HIFRSBDPSA-N 0 0 247.338 2.618 20 70 BFIDRN Cc1ccc(NC(=O)[C@@H]2CCCCO2)c(F)c1 ZINC000159574032 323038303 /nfs/dbraw/zinc/03/83/03/323038303.db2.gz GHEGNFAIBFCYFZ-LBPRGKRZSA-N 0 0 237.274 2.642 20 70 BFIDRN CCCC[C@@H](CC)CC(=O)NC[C@@H](O)C(C)C ZINC000159747207 323046745 /nfs/dbraw/zinc/04/67/45/323046745.db2.gz ORZARKQJJZWWLH-CHWSQXEVSA-N 0 0 243.391 2.726 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ncccc1C ZINC000159877059 323051601 /nfs/dbraw/zinc/05/16/01/323051601.db2.gz ICCNCSHMHYSPNE-GWCFXTLKSA-N 0 0 218.300 2.765 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc(C)n1 ZINC000159881396 323051754 /nfs/dbraw/zinc/05/17/54/323051754.db2.gz FQWVYAVSBSXJKY-GWCFXTLKSA-N 0 0 218.300 2.765 20 70 BFIDRN Cc1nc2cc(NC(=O)C3(C)CC3)ccc2o1 ZINC000159981142 323056733 /nfs/dbraw/zinc/05/67/33/323056733.db2.gz CDVCCJRPRBPDJP-UHFFFAOYSA-N 0 0 230.267 2.875 20 70 BFIDRN CNC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000160002819 323057571 /nfs/dbraw/zinc/05/75/71/323057571.db2.gz ZIANHUZPQIZVDN-OLZOCXBDSA-N 0 0 241.375 2.888 20 70 BFIDRN COCc1ccc(C(=O)Nc2cccc(F)c2)o1 ZINC000160149902 323061227 /nfs/dbraw/zinc/06/12/27/323061227.db2.gz QOXYIWCHKAATKH-UHFFFAOYSA-N 0 0 249.241 2.817 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000160172346 323062769 /nfs/dbraw/zinc/06/27/69/323062769.db2.gz RJQPLPBUUHCXGG-DZGCQCFKSA-N 0 0 249.329 2.921 20 70 BFIDRN C/C=C/C=C/C(=O)N[C@H](CC)c1c(C)noc1C ZINC000160393525 323065584 /nfs/dbraw/zinc/06/55/84/323065584.db2.gz MGNILHRIOFHEDU-SIAFXATMSA-N 0 0 248.326 2.991 20 70 BFIDRN CN(Cc1cccn1C)C(=O)C1CCCCCC1 ZINC000160392001 323065617 /nfs/dbraw/zinc/06/56/17/323065617.db2.gz SDSFRDMNXIEYIF-UHFFFAOYSA-N 0 0 248.370 2.954 20 70 BFIDRN CC[C@@H](C)CN(CC)C(=O)[C@@H]1CC1(C)C ZINC000160599185 323073410 /nfs/dbraw/zinc/07/34/10/323073410.db2.gz DBTCLUOTZMGXBC-MNOVXSKESA-N 0 0 211.349 2.927 20 70 BFIDRN CCC1(CNC(=O)NC[C@@H](C)SC)CCC1 ZINC000159552097 323075203 /nfs/dbraw/zinc/07/52/03/323075203.db2.gz ONWJRKARSPMVIX-SNVBAGLBSA-N 0 0 244.404 2.617 20 70 BFIDRN CC[C@H](C)N(C)c1ccnc(C(C)C)n1 ZINC000160443124 323075492 /nfs/dbraw/zinc/07/54/92/323075492.db2.gz MLKDFHBIMZABOU-JTQLQIEISA-N 0 0 207.321 2.835 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)NC(C1CC1)C1CC1 ZINC000160658730 323076382 /nfs/dbraw/zinc/07/63/82/323076382.db2.gz CTGOIFJHQOBMJO-FZMZJTMJSA-N 0 0 221.344 2.727 20 70 BFIDRN CCC[C@H](C(=O)N[C@@H](CO)CC(C)C)C(C)C ZINC000160675146 323102471 /nfs/dbraw/zinc/10/24/71/323102471.db2.gz SJKZPWZOQQERMC-OLZOCXBDSA-N 0 0 243.391 2.582 20 70 BFIDRN CCC[C@@H](C(=O)N[C@H](CO)CC(C)C)C(C)C ZINC000160675025 323102569 /nfs/dbraw/zinc/10/25/69/323102569.db2.gz SJKZPWZOQQERMC-QWHCGFSZSA-N 0 0 243.391 2.582 20 70 BFIDRN Cc1n[nH]c(C)c1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000160795575 323135753 /nfs/dbraw/zinc/13/57/53/323135753.db2.gz MGYWAPUQOAYPGE-KWQFWETISA-N 0 0 235.331 2.791 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000160818558 323136269 /nfs/dbraw/zinc/13/62/69/323136269.db2.gz MRQQSFDOWSNPDL-IINYFYTJSA-N 0 0 243.310 2.938 20 70 BFIDRN COCC[C@H](C)Nc1cccc(OCCF)c1 ZINC000160888749 323137915 /nfs/dbraw/zinc/13/79/15/323137915.db2.gz GRDYYDCBWBFJDN-NSHDSACASA-N 0 0 241.306 2.872 20 70 BFIDRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCCO2)cc1 ZINC000160957006 323140187 /nfs/dbraw/zinc/14/01/87/323140187.db2.gz VWDCFTIFRXTRJC-GXTWGEPZSA-N 0 0 247.338 2.741 20 70 BFIDRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCCO2)cc1 ZINC000160956778 323140218 /nfs/dbraw/zinc/14/02/18/323140218.db2.gz VWDCFTIFRXTRJC-JSGCOSHPSA-N 0 0 247.338 2.741 20 70 BFIDRN C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccccn2)C1 ZINC000161112341 323147639 /nfs/dbraw/zinc/14/76/39/323147639.db2.gz JWKGHSGDAKKIMK-CHWSQXEVSA-N 0 0 246.354 2.866 20 70 BFIDRN CCN(C)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000161166487 323149643 /nfs/dbraw/zinc/14/96/43/323149643.db2.gz ULDUYQQPNNUJRO-ZJUUUORDSA-N 0 0 223.341 2.638 20 70 BFIDRN CC[C@H](CC(=O)N[C@@H](CO)CC(C)C)C(C)C ZINC000161203508 323465607 /nfs/dbraw/zinc/46/56/07/323465607.db2.gz ZCIZXOXDSOHBAE-CHWSQXEVSA-N 0 0 243.391 2.582 20 70 BFIDRN CC[C@H](SCCC(N)=O)c1ccc(F)cc1 ZINC000161344437 323496122 /nfs/dbraw/zinc/49/61/22/323496122.db2.gz QSFVOJORFUJGRI-NSHDSACASA-N 0 0 241.331 2.885 20 70 BFIDRN CC(C)c1nsc(NC[C@H]2C[C@@H]2C)n1 ZINC000161409777 323512997 /nfs/dbraw/zinc/51/29/97/323512997.db2.gz JDNBCTUNFDVJKB-JGVFFNPUSA-N 0 0 211.334 2.729 20 70 BFIDRN CC(C)c1nccc(N2[C@H](C)CC[C@H]2C)n1 ZINC000161454981 323520493 /nfs/dbraw/zinc/52/04/93/323520493.db2.gz MRBLGDSMAFYNSZ-GHMZBOCLSA-N 0 0 219.332 2.977 20 70 BFIDRN CCO[C@@H](C)c1nccn1C[C@@H]1CCCCO1 ZINC000161472880 323523849 /nfs/dbraw/zinc/52/38/49/323523849.db2.gz IMJXILHAAOJEGZ-RYUDHWBXSA-N 0 0 238.331 2.550 20 70 BFIDRN COCC(C)(C)C(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000161463406 323525553 /nfs/dbraw/zinc/52/55/53/323525553.db2.gz OBAXFGKDSZADQS-NWDGAFQWSA-N 0 0 241.375 2.554 20 70 BFIDRN O=C(CN1C[C@@H]2CCC[C@H]2C1)c1ccccc1F ZINC000160022347 488064291 /nfs/dbraw/zinc/06/42/91/488064291.db2.gz YKFVQWIAAHPLAD-RYUDHWBXSA-N 0 0 247.313 2.740 20 70 BFIDRN Cc1cc(F)c(C(=O)N[C@@H](C)C2CC2)cc1F ZINC000160106838 488107176 /nfs/dbraw/zinc/10/71/76/488107176.db2.gz WATIBOGGBMQMHW-QMMMGPOBSA-N 0 0 239.265 2.802 20 70 BFIDRN CC1(CNc2ncnc3c2CCCC3)CCC1 ZINC000217812632 490485780 /nfs/dbraw/zinc/48/57/80/490485780.db2.gz KQCULTNSBNTRHP-UHFFFAOYSA-N 0 0 231.343 2.958 20 70 BFIDRN CC1CCN(C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000160303142 535271264 /nfs/dbraw/zinc/27/12/64/535271264.db2.gz QGJJUXDYIRPYPC-CHWSQXEVSA-N 0 0 238.375 2.816 20 70 BFIDRN CC(C)CC(C)(C)C(=O)NC1CC=CC1 ZINC000160802754 566325942 /nfs/dbraw/zinc/32/59/42/566325942.db2.gz SIJUXYVBMLWZPH-UHFFFAOYSA-N 0 0 209.333 2.894 20 70 BFIDRN CO[C@@H]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC000216938475 592090908 /nfs/dbraw/zinc/09/09/08/592090908.db2.gz JPBTYVMWHQNYCE-ZIAGYGMSSA-N 0 0 248.322 2.935 20 70 BFIDRN CCC(C)(C)C(=O)OC[C@H]1CCC[C@H](O)C1 ZINC000217796520 592149131 /nfs/dbraw/zinc/14/91/31/592149131.db2.gz CXERZLKKEUPKNT-QWRGUYRKSA-N 0 0 228.332 2.517 20 70 BFIDRN Cc1cc(C(=O)N(C)C2CCCCCC2)ncn1 ZINC000161432649 538915596 /nfs/dbraw/zinc/91/55/96/538915596.db2.gz QOEQMAZMLFBBHZ-UHFFFAOYSA-N 0 0 247.342 2.580 20 70 BFIDRN CCc1cnc(NC(=O)NC2CC=CC2)s1 ZINC000161502053 538915990 /nfs/dbraw/zinc/91/59/90/538915990.db2.gz YGJFIFKKBABHLG-UHFFFAOYSA-N 0 0 237.328 2.546 20 70 BFIDRN Cc1oc(C)c(C(=O)NC2CC=CC2)c1C ZINC000160787426 538912793 /nfs/dbraw/zinc/91/27/93/538912793.db2.gz BHCCGPCWMWZIMW-UHFFFAOYSA-N 0 0 219.284 2.653 20 70 BFIDRN Cn1cc(C(=O)NC2CC=CC2)c2ccccc21 ZINC000160873165 538913250 /nfs/dbraw/zinc/91/32/50/538913250.db2.gz JHAFLYXCYYYJDK-UHFFFAOYSA-N 0 0 240.306 2.627 20 70 BFIDRN CCN(C(=O)c1cc(F)c(C)cc1F)C1CC1 ZINC000160937382 538913359 /nfs/dbraw/zinc/91/33/59/538913359.db2.gz AXUBNXMIDXDLID-UHFFFAOYSA-N 0 0 239.265 2.898 20 70 BFIDRN C[C@@H](CC(=O)N1CCC[C@H]1C)c1ccncc1 ZINC000160925265 538913366 /nfs/dbraw/zinc/91/33/66/538913366.db2.gz HXUDFFABBYOQNR-NWDGAFQWSA-N 0 0 232.327 2.586 20 70 BFIDRN CCCCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000159589700 136214494 /nfs/dbraw/zinc/21/44/94/136214494.db2.gz IPHRWSWJBWEBTP-FRRDWIJNSA-N 0 0 241.375 2.887 20 70 BFIDRN Cc1cc(N)nc(S[C@@H]2C=CCCC2)n1 ZINC000161027370 178109065 /nfs/dbraw/zinc/10/90/65/178109065.db2.gz UGGDSMSVBDBHBZ-SECBINFHSA-N 0 0 221.329 2.568 20 70 BFIDRN Cc1cc(N)nc(S[C@H]2C=CCCC2)n1 ZINC000161027250 178110277 /nfs/dbraw/zinc/11/02/77/178110277.db2.gz UGGDSMSVBDBHBZ-VIFPVBQESA-N 0 0 221.329 2.568 20 70 BFIDRN Cc1cc(NC(=O)NOCC(C)C)ccc1F ZINC000160045551 178140656 /nfs/dbraw/zinc/14/06/56/178140656.db2.gz NSXLZPZJDSQCSM-UHFFFAOYSA-N 0 0 240.278 2.843 20 70 BFIDRN Cc1cc(OCCCCC(F)(F)F)nn1C ZINC000159810805 178209613 /nfs/dbraw/zinc/20/96/13/178209613.db2.gz HZSPCQWVVDUVJI-UHFFFAOYSA-N 0 0 236.237 2.840 20 70 BFIDRN CC[C@@H](C)[C@@H](C)Nc1cc(C(=O)OC)ccn1 ZINC000218124945 398325689 /nfs/dbraw/zinc/32/56/89/398325689.db2.gz CPTZWBVNWUHMLJ-NXEZZACHSA-N 0 0 236.315 2.715 20 70 BFIDRN C[C@@H]1CCC[C@@H](OCCCCCC(N)=O)C1 ZINC000160165466 323062564 /nfs/dbraw/zinc/06/25/64/323062564.db2.gz KXJAOPSDIFROEX-VXGBXAGGSA-N 0 0 227.348 2.627 20 70 BFIDRN C[C@@H]1C[C@@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000161052186 133511929 /nfs/dbraw/zinc/51/19/29/133511929.db2.gz SALCJJJDPNCFMK-RNFRBKRXSA-N 0 0 231.221 2.563 20 70 BFIDRN CC[C@@H](C)NC(=O)c1cc(C)c(F)c(C)c1 ZINC000160464260 323067855 /nfs/dbraw/zinc/06/78/55/323067855.db2.gz KMEANRIOTGBSGM-SNVBAGLBSA-N 0 0 223.291 2.971 20 70 BFIDRN CN(CCC1CC1)C(=O)NC1CCCCC1 ZINC000160907244 201745610 /nfs/dbraw/zinc/74/56/10/201745610.db2.gz AWOWONYJBWJJJI-UHFFFAOYSA-N 0 0 224.348 2.761 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)CCC1CC1 ZINC000159751235 345510994 /nfs/dbraw/zinc/51/09/94/345510994.db2.gz KVOSGIWTJGHINM-NEPJUHHUSA-N 0 0 209.333 2.872 20 70 BFIDRN Cc1cccc([C@H]2CCC[N@@H+]2CCCF)n1 ZINC000159718616 345503560 /nfs/dbraw/zinc/50/35/60/345503560.db2.gz FKBNLECNPSAOKJ-CYBMUJFWSA-N 0 0 222.307 2.887 20 70 BFIDRN CC[C@@H](C)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159916421 345648964 /nfs/dbraw/zinc/64/89/64/345648964.db2.gz LNFHNYJEXGYPFQ-VXGBXAGGSA-N 0 0 239.359 2.641 20 70 BFIDRN CC[C@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000159959044 345726744 /nfs/dbraw/zinc/72/67/44/345726744.db2.gz PQAOHYOAPRYHLW-QMMMGPOBSA-N 0 0 233.315 2.647 20 70 BFIDRN CCC[C@H](C(=O)OCC)c1ccccn1 ZINC000161257504 346165636 /nfs/dbraw/zinc/16/56/36/346165636.db2.gz SBSHYJDIQDMECK-JTQLQIEISA-N 0 0 207.273 2.528 20 70 BFIDRN Cc1cccc(C(=O)N(C)CC(C)C)c1F ZINC000161445414 179004024 /nfs/dbraw/zinc/00/40/24/179004024.db2.gz GJFDIBMUBGMCPV-UHFFFAOYSA-N 0 0 223.291 2.862 20 70 BFIDRN Cc1cccc(C(=O)N[C@H]2CC2(C)C)c1F ZINC000161488015 179023091 /nfs/dbraw/zinc/02/30/91/179023091.db2.gz DPRHSLBCURNEOR-JTQLQIEISA-N 0 0 221.275 2.662 20 70 BFIDRN Cc1cccc(C(=O)N[C@@H](C)C2CC2)c1F ZINC000161413805 179021541 /nfs/dbraw/zinc/02/15/41/179021541.db2.gz DKXABDGOXJBJEO-VIFPVBQESA-N 0 0 221.275 2.662 20 70 BFIDRN CC1(C)C[C@@H](Nc2cccc(F)n2)CCO1 ZINC000160670832 346461319 /nfs/dbraw/zinc/46/13/19/346461319.db2.gz KTTFCZCOZYSMEU-VIFPVBQESA-N 0 0 224.279 2.590 20 70 BFIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)C1CC1 ZINC000160782983 323135291 /nfs/dbraw/zinc/13/52/91/323135291.db2.gz YULCMTUKYJEUEA-ZYHUDNBSSA-N 0 0 209.333 2.824 20 70 BFIDRN Cc1cccc(N(C)CCOCC2CC2)c1 ZINC000160324796 347128374 /nfs/dbraw/zinc/12/83/74/347128374.db2.gz VTZSEMFOPRRHLN-UHFFFAOYSA-N 0 0 219.328 2.858 20 70 BFIDRN Cc1nnc(CSc2ccccc2F)n1C ZINC000160929529 323139358 /nfs/dbraw/zinc/13/93/58/323139358.db2.gz RGNIWPYZQGKSRX-UHFFFAOYSA-N 0 0 237.303 2.555 20 70 BFIDRN Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)[NH3+] ZINC000159691626 179340996 /nfs/dbraw/zinc/34/09/96/179340996.db2.gz BCEPWEUUEMNWMX-JSGCOSHPSA-N 0 0 248.370 2.546 20 70 BFIDRN CN(C[C@@H]1CCCOC1)C(=O)CCC(C)(C)C ZINC000159441914 350225033 /nfs/dbraw/zinc/22/50/33/350225033.db2.gz KLXRVVWLXQNXJV-LBPRGKRZSA-N 0 0 241.375 2.698 20 70 BFIDRN Cc1ccc2c(c1)N(CCOCC1CC1)CC2 ZINC000159816681 351006135 /nfs/dbraw/zinc/00/61/35/351006135.db2.gz HFEHQQGKNHIFLZ-UHFFFAOYSA-N 0 0 231.339 2.784 20 70 BFIDRN Cc1ccc(CCNC(=O)NC2(C)CCC2)cc1 ZINC000161311853 188159606 /nfs/dbraw/zinc/15/96/06/188159606.db2.gz GWXBNHXOROIIGF-UHFFFAOYSA-N 0 0 246.354 2.779 20 70 BFIDRN CC(C)C[C@@H](C)NC(=O)Nc1cccnc1 ZINC000160817427 188159884 /nfs/dbraw/zinc/15/98/84/188159884.db2.gz HXBIPWAKYMIFSG-SNVBAGLBSA-N 0 0 221.304 2.638 20 70 BFIDRN CC[C@@H](NC(=O)C(C)(CC)CC)[C@H]1CCCO1 ZINC000159509101 538877704 /nfs/dbraw/zinc/87/77/04/538877704.db2.gz XVVYYSDIPLPLJA-VXGBXAGGSA-N 0 0 241.375 2.887 20 70 BFIDRN COc1ccc(NC(=O)NC2CC=CC2)c(C)c1 ZINC000159681220 538878704 /nfs/dbraw/zinc/87/87/04/538878704.db2.gz KVJAPVBNWACJQW-UHFFFAOYSA-N 0 0 246.310 2.844 20 70 BFIDRN CCN(CC1CC1)C(=O)C[C@@H](C)c1ccncc1 ZINC000160559713 538885181 /nfs/dbraw/zinc/88/51/81/538885181.db2.gz UQWRPCVJZDMLCA-GFCCVEGCSA-N 0 0 246.354 2.834 20 70 BFIDRN C[C@H]1CCC[C@@H](CNc2ncccn2)C1 ZINC000217921664 134251171 /nfs/dbraw/zinc/25/11/71/134251171.db2.gz GNRMXCOEERZJLE-WDEREUQCSA-N 0 0 205.305 2.715 20 70 BFIDRN C[C@H]1CCC[C@H](CNc2ncccn2)C1 ZINC000217921804 134251224 /nfs/dbraw/zinc/25/12/24/134251224.db2.gz GNRMXCOEERZJLE-QWRGUYRKSA-N 0 0 205.305 2.715 20 70 BFIDRN COc1cccc(CCNc2cccc(F)n2)c1 ZINC000218121051 134251633 /nfs/dbraw/zinc/25/16/33/134251633.db2.gz FEVFYBUYGVWWHB-UHFFFAOYSA-N 0 0 246.285 2.884 20 70 BFIDRN Cn1cc(CCOc2ccc3[nH]ccc3c2)cn1 ZINC000218709753 134259733 /nfs/dbraw/zinc/25/97/33/134259733.db2.gz NCAUZWDXPABEMI-UHFFFAOYSA-N 0 0 241.294 2.523 20 70 BFIDRN CC(C)[C@H]1CCN(C(=O)N2CCC(C)CC2)C1 ZINC000160827800 219816444 /nfs/dbraw/zinc/81/64/44/219816444.db2.gz JRSANZZMEBHVOK-ZDUSSCGKSA-N 0 0 238.375 2.816 20 70 BFIDRN CC[C@H]1CC[C@@H](C)N1C(=O)NC1CCCC1 ZINC000161489860 200712716 /nfs/dbraw/zinc/71/27/16/200712716.db2.gz JCIUOPCVLWILCP-PWSUYJOCSA-N 0 0 224.348 2.902 20 70 BFIDRN CC(C)c1cc(NC2(C)CCC2)ncn1 ZINC000159971910 361295439 /nfs/dbraw/zinc/29/54/39/361295439.db2.gz IQWWJOVHIULVHM-UHFFFAOYSA-N 0 0 205.305 2.955 20 70 BFIDRN CCCC[C@@H](Sc1ccncc1)C(=O)OC ZINC000160014770 361297290 /nfs/dbraw/zinc/29/72/90/361297290.db2.gz KENZIGVYBDFQIH-LLVKDONJSA-N 0 0 239.340 2.906 20 70 BFIDRN O=C(NCC1(C2CC2)CCC1)NC1CC=CC1 ZINC000160357984 541355973 /nfs/dbraw/zinc/35/59/73/541355973.db2.gz OSTJXZCCBIOBTP-UHFFFAOYSA-N 0 0 234.343 2.585 20 70 BFIDRN CC(C)CCC[C@H](C)NC(=O)[C@H]1CCCCO1 ZINC000159472406 201684679 /nfs/dbraw/zinc/68/46/79/201684679.db2.gz FNVTWUMLLRPTJZ-QWHCGFSZSA-N 0 0 241.375 2.887 20 70 BFIDRN Cc1ccc(CCNC(=O)NCCC(C)C)cc1 ZINC000217307907 371934601 /nfs/dbraw/zinc/93/46/01/371934601.db2.gz NONBXVZZPRKHBH-UHFFFAOYSA-N 0 0 248.370 2.883 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)c1ccccc1 ZINC000160009554 182127194 /nfs/dbraw/zinc/12/71/94/182127194.db2.gz UUCYTYTXOTZWTP-UHFFFAOYSA-N 0 0 215.296 2.607 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)c1ccccc1F ZINC000159773227 182127612 /nfs/dbraw/zinc/12/76/12/182127612.db2.gz PUIREDJNHRZRDM-UHFFFAOYSA-N 0 0 233.286 2.746 20 70 BFIDRN O=C(NCC1(C2CC2)CCC1)Nc1cccnc1 ZINC000160810927 182130201 /nfs/dbraw/zinc/13/02/01/182130201.db2.gz QQLHURWQHYNSHP-UHFFFAOYSA-N 0 0 245.326 2.783 20 70 BFIDRN O=C(Nc1cc(F)cc(F)c1F)NC1CCC1 ZINC000160522639 182349689 /nfs/dbraw/zinc/34/96/89/182349689.db2.gz BSYNEBHAHDAYEU-UHFFFAOYSA-N 0 0 244.216 2.778 20 70 BFIDRN O=C(OCCCc1ccccc1)[C@H]1CCCCO1 ZINC000159397537 182602070 /nfs/dbraw/zinc/60/20/70/182602070.db2.gz POUDNXBPGSIQLF-CQSZACIVSA-N 0 0 248.322 2.732 20 70 BFIDRN CCCC[C@H](Sc1ccncc1)C(=O)OC ZINC000160014666 169013106 /nfs/dbraw/zinc/01/31/06/169013106.db2.gz KENZIGVYBDFQIH-NSHDSACASA-N 0 0 239.340 2.906 20 70 BFIDRN CNC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000159406963 384066337 /nfs/dbraw/zinc/06/63/37/384066337.db2.gz OZXMHQUWKQOGNY-UHFFFAOYSA-N 0 0 249.701 2.882 20 70 BFIDRN CC1(C)CCCC[C@H]1CC(=O)NCC(F)F ZINC000159416396 384103062 /nfs/dbraw/zinc/10/30/62/384103062.db2.gz AOHOJJRFZQRCPW-VIFPVBQESA-N 0 0 233.302 2.974 20 70 BFIDRN COc1cccnc1N[C@@H]1CCC[C@@H]1C ZINC000159469974 384225989 /nfs/dbraw/zinc/22/59/89/384225989.db2.gz OGMJQGCTKTUXQH-VHSXEESVSA-N 0 0 206.289 2.691 20 70 BFIDRN O=C(O[C@@H](c1ccccn1)C(F)(F)F)C1CC1 ZINC000160211588 384394301 /nfs/dbraw/zinc/39/43/01/384394301.db2.gz UWIKCSLRCGGZIE-VIFPVBQESA-N 0 0 245.200 2.638 20 70 BFIDRN CC(C)(C(=O)Nc1nncs1)C1CCCC1 ZINC000160243444 384397202 /nfs/dbraw/zinc/39/72/02/384397202.db2.gz FIAAXLRQJQBAJN-UHFFFAOYSA-N 0 0 239.344 2.693 20 70 BFIDRN CC[C@](C)(CO)Nc1nc2cc(F)ccc2o1 ZINC000160422433 384412172 /nfs/dbraw/zinc/41/21/72/384412172.db2.gz VEEHLOUGQTVUQQ-GFCCVEGCSA-N 0 0 238.262 2.540 20 70 BFIDRN COC(CN(C)c1ccc2ccccc2c1)OC ZINC000160490961 384414538 /nfs/dbraw/zinc/41/45/38/384414538.db2.gz MTIQOGVBMGKEJS-UHFFFAOYSA-N 0 0 245.322 2.895 20 70 BFIDRN COC(=O)CNC1(c2cccc(C)c2)CCCC1 ZINC000160541510 384418069 /nfs/dbraw/zinc/41/80/69/384418069.db2.gz OOGMGYJBPFMIKS-UHFFFAOYSA-N 0 0 247.338 2.527 20 70 BFIDRN CCc1ccc(/C=C/C(=O)N(C)C2CCC2)o1 ZINC000160516378 384418246 /nfs/dbraw/zinc/41/82/46/384418246.db2.gz NANGWGFQNVKBCS-MDZDMXLPSA-N 0 0 233.311 2.866 20 70 BFIDRN C[C@H](Cc1ccccc1F)NC(=O)[C@@H]1CC1(C)C ZINC000160579109 384423228 /nfs/dbraw/zinc/42/32/28/384423228.db2.gz XQOXVBWXBDKLGS-PWSUYJOCSA-N 0 0 249.329 2.919 20 70 BFIDRN CNc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000160060934 384380263 /nfs/dbraw/zinc/38/02/63/384380263.db2.gz IIGGEJRNCCILMK-RYUDHWBXSA-N 0 0 244.338 2.600 20 70 BFIDRN CCCC1(CNC(=O)c2c(C)noc2C)CC1 ZINC000160735884 384430282 /nfs/dbraw/zinc/43/02/82/384430282.db2.gz HTFQDKARIYBIKH-UHFFFAOYSA-N 0 0 236.315 2.602 20 70 BFIDRN Cc1ccc(CN(C)Cc2nc(C)ccc2O)o1 ZINC000160848523 384439763 /nfs/dbraw/zinc/43/97/63/384439763.db2.gz PIIHXYSTDXUZPA-UHFFFAOYSA-N 0 0 246.310 2.629 20 70 BFIDRN CC(=O)NC1CCC(Nc2cccc(C)c2)CC1 ZINC000161079684 384462017 /nfs/dbraw/zinc/46/20/17/384462017.db2.gz NCGVCTRZDVZXOQ-UHFFFAOYSA-N 0 0 246.354 2.854 20 70 BFIDRN COCCc1ccc(OCc2nccs2)cc1 ZINC000161155287 384469795 /nfs/dbraw/zinc/46/97/95/384469795.db2.gz AEBQUFLWRPKXGG-UHFFFAOYSA-N 0 0 249.335 2.911 20 70 BFIDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cn[nH]c1 ZINC000161450698 384490168 /nfs/dbraw/zinc/49/01/68/384490168.db2.gz HWZGBDMXDJHDEI-UWVGGRQHSA-N 0 0 247.323 2.522 20 70 BFIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cn[nH]c1 ZINC000161450952 384491121 /nfs/dbraw/zinc/49/11/21/384491121.db2.gz HWZGBDMXDJHDEI-VHSXEESVSA-N 0 0 247.323 2.522 20 70 BFIDRN CCCCC(=O)N[C@@H]1CCc2c1cccc2OC ZINC000160230735 385422122 /nfs/dbraw/zinc/42/21/22/385422122.db2.gz BTDOSRZUOVIAML-CYBMUJFWSA-N 0 0 247.338 2.989 20 70 BFIDRN CCCCCC(=O)N(C)Cc1cccn1C ZINC000160668485 385701574 /nfs/dbraw/zinc/70/15/74/385701574.db2.gz BKMTUGNQHIIDNG-UHFFFAOYSA-N 0 0 222.332 2.564 20 70 BFIDRN C[C@H](CC(=O)Nc1cn[nH]c1)C1CCCCC1 ZINC000160128804 387075238 /nfs/dbraw/zinc/07/52/38/387075238.db2.gz FODHETMJQWBQCG-SNVBAGLBSA-N 0 0 235.331 2.955 20 70 BFIDRN C[C@@H]1CC[C@H](C)N1C(=O)Cc1ccsc1 ZINC000161403127 387208773 /nfs/dbraw/zinc/20/87/73/387208773.db2.gz LTMMWAJWPHFMMP-AOOOYVTPSA-N 0 0 223.341 2.690 20 70 BFIDRN CC(C)c1nccc(N2[C@@H](C)CC[C@@H]2C)n1 ZINC000161454876 387216961 /nfs/dbraw/zinc/21/69/61/387216961.db2.gz MRBLGDSMAFYNSZ-QWRGUYRKSA-N 0 0 219.332 2.977 20 70 BFIDRN CCC[C@H](C(=O)NCc1ccncc1)C(C)C ZINC000161338792 387197295 /nfs/dbraw/zinc/19/72/95/387197295.db2.gz WWDFGALMWAEDRV-ZDUSSCGKSA-N 0 0 234.343 2.770 20 70 BFIDRN CCC[C@@H](C(=O)NCc1ccncc1)C(C)C ZINC000161338923 387197308 /nfs/dbraw/zinc/19/73/08/387197308.db2.gz WWDFGALMWAEDRV-CYBMUJFWSA-N 0 0 234.343 2.770 20 70 BFIDRN CCCc1nc(C(C)(C)C(=O)OCC)cs1 ZINC000159761677 388029914 /nfs/dbraw/zinc/02/99/14/388029914.db2.gz QHBBFZBNMUHEGR-UHFFFAOYSA-N 0 0 241.356 2.936 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000159756689 388029987 /nfs/dbraw/zinc/02/99/87/388029987.db2.gz HAKHNUYUPMPVJH-GXSJLCMTSA-N 0 0 236.290 2.529 20 70 BFIDRN CCCCN(CCCC)C(=O)[C@@H]1CCCCO1 ZINC000160943353 388104949 /nfs/dbraw/zinc/10/49/49/388104949.db2.gz URZCRUBFFQVOPA-ZDUSSCGKSA-N 0 0 241.375 2.984 20 70 BFIDRN CCCCNC(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000218001703 134251345 /nfs/dbraw/zinc/25/13/45/134251345.db2.gz GNJFFEYPEGAKKL-RYUDHWBXSA-N 0 0 226.364 2.912 20 70 BFIDRN CN(CC1CCOCC1)c1ccnc(Cl)c1 ZINC000218091129 134251752 /nfs/dbraw/zinc/25/17/52/134251752.db2.gz PVYGICQZTONLCT-UHFFFAOYSA-N 0 0 240.734 2.598 20 70 BFIDRN C[C@@H](O)[C@H](C)Sc1nc(C(C)(C)C)ns1 ZINC000159757422 134789499 /nfs/dbraw/zinc/78/94/99/134789499.db2.gz AJBRKFFGSGQHSQ-RQJHMYQMSA-N 0 0 246.401 2.697 20 70 BFIDRN COc1cc(NC[C@H]2CCCOC2)ccc1F ZINC000160001783 134797849 /nfs/dbraw/zinc/79/78/49/134797849.db2.gz USNPDWGVDYXVHJ-SNVBAGLBSA-N 0 0 239.290 2.673 20 70 BFIDRN CC(C)NC(=O)[C@H](C)c1c(F)cccc1F ZINC000160411908 167084086 /nfs/dbraw/zinc/08/40/86/167084086.db2.gz VLWOGXVGUKDZAT-MRVPVSSYSA-N 0 0 227.254 2.593 20 70 BFIDRN CCc1ccccc1C(=O)N[C@@H](C)CC ZINC000160073921 411309026 /nfs/dbraw/zinc/30/90/26/411309026.db2.gz RGWQDRZPJFHRLH-JTQLQIEISA-N 0 0 205.301 2.777 20 70 BFIDRN CC1=CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000160162522 168109060 /nfs/dbraw/zinc/10/90/60/168109060.db2.gz ZYXWPLTZXGTKJY-UHFFFAOYSA-N 0 0 240.306 2.960 20 70 BFIDRN CC1CCN(C(=O)N2C[C@H](C)CC[C@@H]2C)CC1 ZINC000160641279 168173898 /nfs/dbraw/zinc/17/38/98/168173898.db2.gz XRFVANVKQREXME-OLZOCXBDSA-N 0 0 238.375 2.959 20 70 BFIDRN CCC(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160745151 168230090 /nfs/dbraw/zinc/23/00/90/168230090.db2.gz NHOFNMMIFABVTG-UHFFFAOYSA-N 0 0 240.372 2.509 20 70 BFIDRN CCC(=O)c1ccc(OCc2ccnn2C)cc1 ZINC000161204829 168257056 /nfs/dbraw/zinc/25/70/56/168257056.db2.gz VJTGMDZGPDWAQL-UHFFFAOYSA-N 0 0 244.294 2.592 20 70 BFIDRN C[C@@H]1CC[C@H](C)N1C(=O)NC1CCCC1 ZINC000161433611 411508765 /nfs/dbraw/zinc/50/87/65/411508765.db2.gz VIFLOABXBJABTR-AOOOYVTPSA-N 0 0 210.321 2.511 20 70 BFIDRN CCOC(C)(C)CNc1nc2ccccc2n1C ZINC000159540051 170314542 /nfs/dbraw/zinc/31/45/42/170314542.db2.gz AHELMWKOJPIBKX-UHFFFAOYSA-N 0 0 247.342 2.800 20 70 BFIDRN CC[C@@H](CSC)Nc1ccc(F)cn1 ZINC000217380564 170853612 /nfs/dbraw/zinc/85/36/12/170853612.db2.gz FIXVQJSCZAAKPB-VIFPVBQESA-N 0 0 214.309 2.774 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000159756562 171000050 /nfs/dbraw/zinc/00/00/50/171000050.db2.gz HAKHNUYUPMPVJH-MWLCHTKSSA-N 0 0 236.290 2.529 20 70 BFIDRN CC[S@](=O)c1ncc(C(C)(C)C)s1 ZINC000160562746 171730593 /nfs/dbraw/zinc/73/05/93/171730593.db2.gz ROESIQWOSWALNL-CYBMUJFWSA-N 0 0 217.359 2.568 20 70 BFIDRN CCc1ncnc(N[C@H]2CC=CCC2)c1F ZINC000218025562 172033600 /nfs/dbraw/zinc/03/36/00/172033600.db2.gz BRLNHETXBXTTLR-VIFPVBQESA-N 0 0 221.279 2.699 20 70 BFIDRN CCc1noc(C)c1CS[C@@H](C)COC ZINC000159818153 172081053 /nfs/dbraw/zinc/08/10/53/172081053.db2.gz WQQHVIGJEJUVJD-QMMMGPOBSA-N 0 0 229.345 2.814 20 70 BFIDRN CCc1nsc(N[C@@H](C)C2CCC2)n1 ZINC000160070705 172106976 /nfs/dbraw/zinc/10/69/76/172106976.db2.gz RRKQMQVMBIJVCK-ZETCQYMHSA-N 0 0 211.334 2.701 20 70 BFIDRN CN(C(=O)c1cc(F)cc2cccnc21)C1CC1 ZINC000160064027 172337512 /nfs/dbraw/zinc/33/75/12/172337512.db2.gz XFZQGQZWPCHSHO-UHFFFAOYSA-N 0 0 244.269 2.608 20 70 BFIDRN COc1cc(N[C@H]2CCCOCC2)ccc1F ZINC000160037409 175004865 /nfs/dbraw/zinc/00/48/65/175004865.db2.gz QOMNTIWCTMXODG-JTQLQIEISA-N 0 0 239.290 2.815 20 70 BFIDRN COc1ccc(C(=O)NCC2(C3CC3)CC2)cc1 ZINC000159932655 175059620 /nfs/dbraw/zinc/05/96/20/175059620.db2.gz YGRVCYUMIVRKED-UHFFFAOYSA-N 0 0 245.322 2.615 20 70 BFIDRN CS[C@@H](C)CNC(=O)c1cccc(C)c1F ZINC000159470430 175543439 /nfs/dbraw/zinc/54/34/39/175543439.db2.gz XUAJLCLQZOQAFS-VIFPVBQESA-N 0 0 241.331 2.615 20 70 BFIDRN CSc1cc(C(=O)N[C@@H]2C[C@H]2C)ccc1F ZINC000161283070 175572742 /nfs/dbraw/zinc/57/27/42/175572742.db2.gz MWQVYMWBGLIHJI-GMSGAONNSA-N 0 0 239.315 2.686 20 70 BFIDRN C[C@@H](CC(=O)Nc1cn[nH]c1)C1CCCCC1 ZINC000160128713 175642946 /nfs/dbraw/zinc/64/29/46/175642946.db2.gz FODHETMJQWBQCG-JTQLQIEISA-N 0 0 235.331 2.955 20 70 BFIDRN C[C@H]1CC[C@H](C)N1c1ccnc(C2CC2)n1 ZINC000161389132 177200156 /nfs/dbraw/zinc/20/01/56/177200156.db2.gz UIJXACKGJJCTAW-UWVGGRQHSA-N 0 0 217.316 2.731 20 70 BFIDRN C[C@]1(Nc2nc3ccccc3s2)CCOC1 ZINC000160076315 177471279 /nfs/dbraw/zinc/47/12/79/177471279.db2.gz DBSCEMMKXWVXRC-LBPRGKRZSA-N 0 0 234.324 2.887 20 70 BFIDRN COc1cccnc1NCc1ccc(C)o1 ZINC000159448782 322969218 /nfs/dbraw/zinc/96/92/18/322969218.db2.gz UPZYJBLGVJDYJO-UHFFFAOYSA-N 0 0 218.256 2.604 20 70 BFIDRN CC(C)n1nccc1NC(=O)C1=CCCC1 ZINC000159610977 323040360 /nfs/dbraw/zinc/04/03/60/323040360.db2.gz DHALMBLPAYGOSY-UHFFFAOYSA-N 0 0 219.288 2.513 20 70 BFIDRN CCCCCOc1ccc(-n2cncn2)cc1 ZINC000159703079 323044400 /nfs/dbraw/zinc/04/44/00/323044400.db2.gz XZDFASNNXDTRJT-UHFFFAOYSA-N 0 0 231.299 2.836 20 70 BFIDRN CC(C)C[C@@H](C)NC(=O)NC[C@@H]1CCCS1 ZINC000160172589 323062711 /nfs/dbraw/zinc/06/27/11/323062711.db2.gz HKMUHBVRDWENJE-MNOVXSKESA-N 0 0 244.404 2.616 20 70 BFIDRN CC[C@H](NC(=O)c1ccc[nH]1)c1c(C)noc1C ZINC000160626972 323074005 /nfs/dbraw/zinc/07/40/05/323074005.db2.gz MPUHEKDXLZIXOM-JTQLQIEISA-N 0 0 247.298 2.501 20 70 BFIDRN Cc1nnc(CSC2CCCCC2)n1C ZINC000160951358 323075739 /nfs/dbraw/zinc/07/57/39/323075739.db2.gz QEXDMIJVVUYBFK-UHFFFAOYSA-N 0 0 225.361 2.689 20 70 BFIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)C1CC1 ZINC000160783106 323135281 /nfs/dbraw/zinc/13/52/81/323135281.db2.gz YULCMTUKYJEUEA-CMPLNLGQSA-N 0 0 209.333 2.824 20 70 BFIDRN C[C@H]1CCN(C(=O)Nc2cccnc2)C[C@@H](C)C1 ZINC000160818931 323136275 /nfs/dbraw/zinc/13/62/75/323136275.db2.gz OKMNBLQCWIRYMU-RYUDHWBXSA-N 0 0 247.342 2.982 20 70 BFIDRN C[C@H]1CCC[C@H](C(=O)N(C)Cc2cccn2C)C1 ZINC000160910085 323138904 /nfs/dbraw/zinc/13/89/04/323138904.db2.gz HOGHRXBCASMZLY-STQMWFEESA-N 0 0 248.370 2.810 20 70 BFIDRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCO2)cc1 ZINC000160956640 323140234 /nfs/dbraw/zinc/14/02/34/323140234.db2.gz VWDCFTIFRXTRJC-OCCSQVGLSA-N 0 0 247.338 2.741 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)N(C(C)C)C1CC1 ZINC000160983978 323142275 /nfs/dbraw/zinc/14/22/75/323142275.db2.gz XTUXXOCVOPLGFI-YPMHNXCESA-N 0 0 209.333 2.822 20 70 BFIDRN CCCC[C@@H](CC)CC(=O)NC[C@H](C)CCO ZINC000161047496 323144751 /nfs/dbraw/zinc/14/47/51/323144751.db2.gz YJWYGJQTRIXEBR-CHWSQXEVSA-N 0 0 243.391 2.728 20 70 BFIDRN CN(C(=O)C(C)(C)C1CCCC1)C1CC1 ZINC000161240441 323471314 /nfs/dbraw/zinc/47/13/14/323471314.db2.gz RKAHMJWPUKASRS-UHFFFAOYSA-N 0 0 209.333 2.824 20 70 BFIDRN CCCNC(=O)c1cc(C)c(F)cc1Cl ZINC000161255276 323473889 /nfs/dbraw/zinc/47/38/89/323473889.db2.gz QBCJEUUHFLMTTQ-UHFFFAOYSA-N 0 0 229.682 2.927 20 70 BFIDRN CS[C@H](C)CC(=O)NC[C@H]1CC=CCC1 ZINC000161277072 323485511 /nfs/dbraw/zinc/48/55/11/323485511.db2.gz QTCNQKPFWSJECU-MNOVXSKESA-N 0 0 227.373 2.601 20 70 BFIDRN CC(C)(C)OCCn1nc(C2CC2)nc1C1CC1 ZINC000161485083 323531343 /nfs/dbraw/zinc/53/13/43/323531343.db2.gz RSXFAEWNOIHPFP-UHFFFAOYSA-N 0 0 249.358 2.848 20 70 BFIDRN CCC[C@@H](CC)NC(=O)C[C@H](C)SC ZINC000161492798 323535041 /nfs/dbraw/zinc/53/50/41/323535041.db2.gz MSYWMERJOHEFBG-VHSXEESVSA-N 0 0 217.378 2.823 20 70 BFIDRN COC(=O)c1ccc(NC[C@H]2CC2(C)C)nc1C ZINC000218016646 324056504 /nfs/dbraw/zinc/05/65/04/324056504.db2.gz QBCOYVBQZWLVQI-SNVBAGLBSA-N 0 0 248.326 2.635 20 70 BFIDRN O=C(NC1CC=CC1)c1c(F)cccc1Cl ZINC000160867984 566326184 /nfs/dbraw/zinc/32/61/84/566326184.db2.gz YRZBWSYXJBREQZ-UHFFFAOYSA-N 0 0 239.677 2.928 20 70 BFIDRN CCC(C)(C)C(=O)OC[C@H]1CCC[C@@H](O)C1 ZINC000217796654 592149461 /nfs/dbraw/zinc/14/94/61/592149461.db2.gz CXERZLKKEUPKNT-WDEREUQCSA-N 0 0 228.332 2.517 20 70 BFIDRN CCC(CC)C(=O)OCC(F)(F)C(F)F ZINC000218752711 592176508 /nfs/dbraw/zinc/17/65/08/592176508.db2.gz TWQDJJYEWWCIIP-UHFFFAOYSA-N 0 0 230.201 2.866 20 70 BFIDRN CCC(C)(CC)NC(=O)c1cccc2[nH]cnc21 ZINC000159525172 168309870 /nfs/dbraw/zinc/30/98/70/168309870.db2.gz GAXUUXCBIVBKDD-UHFFFAOYSA-N 0 0 245.326 2.871 20 70 BFIDRN CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(C)nc1 ZINC000161378475 538915315 /nfs/dbraw/zinc/91/53/15/538915315.db2.gz CXINZUSGWNSKHB-KOLCDFICSA-N 0 0 235.331 2.946 20 70 BFIDRN CCC(CC)CNC(=O)NC1(C)CCC1 ZINC000161398779 538915560 /nfs/dbraw/zinc/91/55/60/538915560.db2.gz PNLIVBDUOOLCOH-UHFFFAOYSA-N 0 0 212.337 2.664 20 70 BFIDRN CCC[C@@H]1C[C@H]1NC(=O)C[C@@H](C)c1ccncc1 ZINC000160856524 538912922 /nfs/dbraw/zinc/91/29/22/538912922.db2.gz NLVGYWWGNHDZTO-MRVWCRGKSA-N 0 0 246.354 2.880 20 70 BFIDRN Cc1cc(C)nc(N[C@@H](C)C2CCC2)n1 ZINC000160060990 177946139 /nfs/dbraw/zinc/94/61/39/177946139.db2.gz FJWJAXINSYZPOB-JTQLQIEISA-N 0 0 205.305 2.694 20 70 BFIDRN CC(C)(C(=O)NC1CC=CC1)c1ccccc1F ZINC000160982071 538913698 /nfs/dbraw/zinc/91/36/98/538913698.db2.gz XMRMBOKQLFRXKP-UHFFFAOYSA-N 0 0 247.313 2.938 20 70 BFIDRN CCOCCCN(C)c1ccc(F)cc1 ZINC000159412399 136214318 /nfs/dbraw/zinc/21/43/18/136214318.db2.gz XLAJTXHWJWQIQW-UHFFFAOYSA-N 0 0 211.280 2.689 20 70 BFIDRN CCC(CC)NC(=O)/C=C/c1cncc(C)c1 ZINC000159537994 168375724 /nfs/dbraw/zinc/37/57/24/168375724.db2.gz ABFHETILSSTAFB-VOTSOKGWSA-N 0 0 232.327 2.708 20 70 BFIDRN CC[C@H](C)[C@@H](C)Nc1cc(C(=O)OC)ccn1 ZINC000218125027 398325732 /nfs/dbraw/zinc/32/57/32/398325732.db2.gz CPTZWBVNWUHMLJ-VHSXEESVSA-N 0 0 236.315 2.715 20 70 BFIDRN CC(C)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160373894 398326581 /nfs/dbraw/zinc/32/65/81/398326581.db2.gz HFVMJEHASKZIDT-GFCCVEGCSA-N 0 0 239.359 2.641 20 70 BFIDRN CCc1ccc(/C=C/C(=O)N(C)CC(F)F)o1 ZINC000159784868 323047757 /nfs/dbraw/zinc/04/77/57/323047757.db2.gz TWEMUXXSIYBABR-VOTSOKGWSA-N 0 0 243.253 2.579 20 70 BFIDRN CC1CCN(C(=O)N2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000160506379 133507630 /nfs/dbraw/zinc/50/76/30/133507630.db2.gz ADJYAVKSNZXZNI-OLZOCXBDSA-N 0 0 238.375 2.959 20 70 BFIDRN CC(C)CN(C(=O)N1CCC(C)CC1)C1CC1 ZINC000160439280 537827418 /nfs/dbraw/zinc/82/74/18/537827418.db2.gz WSYRTPWXWXAOMA-UHFFFAOYSA-N 0 0 238.375 2.959 20 70 BFIDRN COC[C@@H]1CCCN(C(=O)CCC(C)(C)C)C1 ZINC000160200607 323063416 /nfs/dbraw/zinc/06/34/16/323063416.db2.gz IJTNUVIXTDBPAJ-GFCCVEGCSA-N 0 0 241.375 2.698 20 70 BFIDRN CCCC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160559474 133508688 /nfs/dbraw/zinc/50/86/88/133508688.db2.gz LCKDYPFUBSIMBT-GFCCVEGCSA-N 0 0 239.359 2.785 20 70 BFIDRN CCCCN(C)C(=O)C1(CCOCC)CCC1 ZINC000160757565 201731501 /nfs/dbraw/zinc/73/15/01/201731501.db2.gz FWDBUZURHXDZNJ-UHFFFAOYSA-N 0 0 241.375 2.842 20 70 BFIDRN CCC[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000160485697 323068976 /nfs/dbraw/zinc/06/89/76/323068976.db2.gz GVWGLCLBQYFMHF-FRRDWIJNSA-N 0 0 241.375 2.695 20 70 BFIDRN CC(=O)CSCC(=O)CCC1CCCC1 ZINC000160440317 323075477 /nfs/dbraw/zinc/07/54/77/323075477.db2.gz QFHUBTXJNKPDAV-UHFFFAOYSA-N 0 0 228.357 2.848 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)NC(C1CC1)C1CC1 ZINC000160658595 323076392 /nfs/dbraw/zinc/07/63/92/323076392.db2.gz CTGOIFJHQOBMJO-SMDDNHRTSA-N 0 0 221.344 2.727 20 70 BFIDRN Cc1cccc(C(=O)Nc2nccs2)c1F ZINC000161390216 346177310 /nfs/dbraw/zinc/17/73/10/346177310.db2.gz FCBSNKTVBGFKFV-UHFFFAOYSA-N 0 0 236.271 2.843 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)N[C@@H]1C=CCCC1 ZINC000160273149 346360213 /nfs/dbraw/zinc/36/02/13/346360213.db2.gz YALXXQSNANHASD-GFCCVEGCSA-N 0 0 234.343 2.585 20 70 BFIDRN CC1(C)C[C@@H](Nc2ncccc2F)CCO1 ZINC000160664969 346461304 /nfs/dbraw/zinc/46/13/04/346461304.db2.gz JERZWNDXABFCNY-VIFPVBQESA-N 0 0 224.279 2.590 20 70 BFIDRN CC1(C)C[C@H]1C(=O)N1CCc2c(F)cccc2C1 ZINC000161126863 346476145 /nfs/dbraw/zinc/47/61/45/346476145.db2.gz ZASRLGANIJMMNH-LBPRGKRZSA-N 0 0 247.313 2.757 20 70 BFIDRN Cc1n[nH]c(C)c1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000160795795 323135717 /nfs/dbraw/zinc/13/57/17/323135717.db2.gz MGYWAPUQOAYPGE-KCJUWKMLSA-N 0 0 235.331 2.791 20 70 BFIDRN CC(C)CSCCCNC(=O)C(C)C ZINC000160828166 323136722 /nfs/dbraw/zinc/13/67/22/323136722.db2.gz DUNBRLKJCDMVCB-UHFFFAOYSA-N 0 0 217.378 2.538 20 70 BFIDRN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)[NH3+] ZINC000159691503 179322813 /nfs/dbraw/zinc/32/28/13/179322813.db2.gz BCEPWEUUEMNWMX-GXTWGEPZSA-N 0 0 248.370 2.546 20 70 BFIDRN CC1CCN(C(=O)N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000160836505 349324129 /nfs/dbraw/zinc/32/41/29/349324129.db2.gz NGQKDPKCNITSJD-OLZOCXBDSA-N 0 0 238.375 2.816 20 70 BFIDRN CCC(C)(CC)C(=O)NC[C@@H](C)SC ZINC000159361252 350067832 /nfs/dbraw/zinc/06/78/32/350067832.db2.gz OVWGJNKJFUMFJN-SECBINFHSA-N 0 0 217.378 2.680 20 70 BFIDRN Cc1nc(NC(=O)C2CC=CC2)cc(C2CC2)n1 ZINC000160227457 180004990 /nfs/dbraw/zinc/00/49/90/180004990.db2.gz MZHCPASIGBGUPL-UHFFFAOYSA-N 0 0 243.310 2.567 20 70 BFIDRN CC(C)CONC(=O)Nc1ccc2[nH]ccc2c1 ZINC000159779209 191117509 /nfs/dbraw/zinc/11/75/09/191117509.db2.gz ARFHSELUOYDFBW-UHFFFAOYSA-N 0 0 247.298 2.877 20 70 BFIDRN CCCn1cc(CN(C)Cc2ccc(C)o2)cn1 ZINC000160859061 350865158 /nfs/dbraw/zinc/86/51/58/350865158.db2.gz ICAUDSVAFHLRGA-UHFFFAOYSA-N 0 0 247.342 2.827 20 70 BFIDRN CC[C@H](C)[C@H](C)Nc1ncccc1OC ZINC000159468582 538108274 /nfs/dbraw/zinc/10/82/74/538108274.db2.gz WVKNXFBZQGHILS-UWVGGRQHSA-N 0 0 208.305 2.937 20 70 BFIDRN CCC(C)(CC)C(=O)Nc1nc(C)ns1 ZINC000159365948 538111450 /nfs/dbraw/zinc/11/14/50/538111450.db2.gz LXPAUYIQGSFLBY-UHFFFAOYSA-N 0 0 227.333 2.611 20 70 BFIDRN CC(C)C[C@H](C)NC(=O)Nc1cccnc1 ZINC000160817558 188159174 /nfs/dbraw/zinc/15/91/74/188159174.db2.gz HXBIPWAKYMIFSG-JTQLQIEISA-N 0 0 221.304 2.638 20 70 BFIDRN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000160015497 538111531 /nfs/dbraw/zinc/11/15/31/538111531.db2.gz CSHNUCIFYUFXBQ-INTQDDNPSA-N 0 0 235.352 2.898 20 70 BFIDRN Fc1cccc(N[C@H]2CCO[C@H](C3CC3)C2)n1 ZINC000160327337 181002566 /nfs/dbraw/zinc/00/25/66/181002566.db2.gz SEJYRISAXJMYRM-QWRGUYRKSA-N 0 0 236.290 2.590 20 70 BFIDRN COc1cccnc1NC[C@@H]1CCCCS1 ZINC000160253029 355760678 /nfs/dbraw/zinc/76/06/78/355760678.db2.gz WIVSLCFGHDZMFN-JTQLQIEISA-N 0 0 238.356 2.788 20 70 BFIDRN CC1(Nc2cnc3ccccc3n2)CCC1 ZINC000159973963 538881025 /nfs/dbraw/zinc/88/10/25/538881025.db2.gz FWMUIWLDNULHAV-UHFFFAOYSA-N 0 0 213.284 2.984 20 70 BFIDRN CC[C@H](NC(=O)C(C)(CC)CC)[C@@H]1CCCO1 ZINC000159508679 538878021 /nfs/dbraw/zinc/87/80/21/538878021.db2.gz XVVYYSDIPLPLJA-RYUDHWBXSA-N 0 0 241.375 2.887 20 70 BFIDRN CCN(CC1CC1)C(=O)C[C@H](C)c1ccncc1 ZINC000160559842 538885166 /nfs/dbraw/zinc/88/51/66/538885166.db2.gz UQWRPCVJZDMLCA-LBPRGKRZSA-N 0 0 246.354 2.834 20 70 BFIDRN Cc1cc(F)c(C(=O)Nc2cccnc2)cc1F ZINC000160711880 538889108 /nfs/dbraw/zinc/88/91/08/538889108.db2.gz MPVOYHKHPXFQFL-UHFFFAOYSA-N 0 0 248.232 2.921 20 70 BFIDRN C[C@H](SC[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000217792222 134249981 /nfs/dbraw/zinc/24/99/81/134249981.db2.gz JBYMPTGKNVFCJV-VHSXEESVSA-N 0 0 246.372 2.629 20 70 BFIDRN CCc1ncnc(NCCc2ccccc2)c1F ZINC000217951648 134251009 /nfs/dbraw/zinc/25/10/09/134251009.db2.gz AQOZYAGXMPZFFT-UHFFFAOYSA-N 0 0 245.301 2.833 20 70 BFIDRN CC1(C)C[C@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000218016846 534919477 /nfs/dbraw/zinc/91/94/77/534919477.db2.gz CYOUYPABZZBWHL-ZETCQYMHSA-N 0 0 245.248 2.953 20 70 BFIDRN CC(C)CCSCC(=O)NC1CC=CC1 ZINC000160983803 359629348 /nfs/dbraw/zinc/62/93/48/359629348.db2.gz WCFSPAUBZJYWNI-UHFFFAOYSA-N 0 0 227.373 2.601 20 70 BFIDRN CC(C)[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000159407985 219863207 /nfs/dbraw/zinc/86/32/07/219863207.db2.gz VZYUXOFDCRFHLE-ZDUSSCGKSA-N 0 0 219.328 2.590 20 70 BFIDRN CCC[C@@H]1CN(C(=O)C(C)(CC)CC)CCO1 ZINC000159392948 541494217 /nfs/dbraw/zinc/49/42/17/541494217.db2.gz NUUZHVMHQIKWFY-GFCCVEGCSA-N 0 0 241.375 2.840 20 70 BFIDRN CCC[C@H]1CN(C(=O)C(C)(CC)CC)CCO1 ZINC000159393076 541494251 /nfs/dbraw/zinc/49/42/51/541494251.db2.gz NUUZHVMHQIKWFY-LBPRGKRZSA-N 0 0 241.375 2.840 20 70 BFIDRN O=C(C=C1CCC1)N1CCc2c(F)cccc2C1 ZINC000160978315 181875537 /nfs/dbraw/zinc/87/55/37/181875537.db2.gz SGBSNBMVZSCINT-UHFFFAOYSA-N 0 0 245.297 2.821 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)c1cccs1 ZINC000159775404 182127086 /nfs/dbraw/zinc/12/70/86/182127086.db2.gz NUYGJKLILMZYJE-UHFFFAOYSA-N 0 0 221.325 2.668 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)c1cc(Cl)c[nH]1 ZINC000159830369 182128331 /nfs/dbraw/zinc/12/83/31/182128331.db2.gz NQEIWGQRYZFMDC-UHFFFAOYSA-N 0 0 238.718 2.588 20 70 BFIDRN O=C(N[C@@H]1CCCc2sccc21)c1cc[nH]c1 ZINC000159812003 182302651 /nfs/dbraw/zinc/30/26/51/182302651.db2.gz PFTIWOPGCMCYQW-LLVKDONJSA-N 0 0 246.335 2.884 20 70 BFIDRN O=C(N[C@H]1CCCc2sccc21)c1cc[nH]c1 ZINC000159812124 182335110 /nfs/dbraw/zinc/33/51/10/182335110.db2.gz PFTIWOPGCMCYQW-NSHDSACASA-N 0 0 246.335 2.884 20 70 BFIDRN CC(C)C[C@H]1CCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC000159435113 384168591 /nfs/dbraw/zinc/16/85/91/384168591.db2.gz WNPDCFNCODNGEY-NEPJUHHUSA-N 0 0 223.360 2.927 20 70 BFIDRN CC[C@@H](C)OCC(=O)N1CC[C@H](CC(C)C)C1 ZINC000159433381 384169315 /nfs/dbraw/zinc/16/93/15/384169315.db2.gz ARDPTLWFAPNUPY-CHWSQXEVSA-N 0 0 241.375 2.696 20 70 BFIDRN CCC(CC)c1cc(C(=O)NCC2CC2)on1 ZINC000159641957 384345745 /nfs/dbraw/zinc/34/57/45/384345745.db2.gz KXCWITSPRJEJDW-UHFFFAOYSA-N 0 0 236.315 2.718 20 70 BFIDRN CC[C@@H](C)OCC(=O)Nc1cccc(F)c1C ZINC000159615135 384346418 /nfs/dbraw/zinc/34/64/18/384346418.db2.gz HSERQPJNRJACOH-SECBINFHSA-N 0 0 239.290 2.888 20 70 BFIDRN Cc1nnc(CSCCc2ccccc2)o1 ZINC000160206125 384392146 /nfs/dbraw/zinc/39/21/46/384392146.db2.gz ZOHHWSSLNGDVHT-UHFFFAOYSA-N 0 0 234.324 2.854 20 70 BFIDRN CCCCCC(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160447229 384412029 /nfs/dbraw/zinc/41/20/29/384412029.db2.gz PLFIIKMSOZNTJB-UHFFFAOYSA-N 0 0 249.310 2.958 20 70 BFIDRN CC[C@@H](C)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000160465190 384413609 /nfs/dbraw/zinc/41/36/09/384413609.db2.gz CIFVEUSNWHWITF-BDAKNGLRSA-N 0 0 241.281 2.983 20 70 BFIDRN Cc1n[nH]c(C)c1CN(C)Cc1cccc(F)c1 ZINC000160472857 384414086 /nfs/dbraw/zinc/41/40/86/384414086.db2.gz UMBAFZLYCUXBGU-UHFFFAOYSA-N 0 0 247.317 2.798 20 70 BFIDRN CCc1cc(=O)[nH]c(C[N@H+](C)C2CCCCC2)n1 ZINC000160468583 384415935 /nfs/dbraw/zinc/41/59/35/384415935.db2.gz YQHHTQZVFIMHHJ-UHFFFAOYSA-N 0 0 249.358 2.509 20 70 BFIDRN CS[C@@H](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000160641280 384427083 /nfs/dbraw/zinc/42/70/83/384427083.db2.gz IIRWCQQMASNGPF-ZETCQYMHSA-N 0 0 244.747 2.815 20 70 BFIDRN CC(C)C(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000160109771 384384223 /nfs/dbraw/zinc/38/42/23/384384223.db2.gz CBCRDXZZRWTGFS-SECBINFHSA-N 0 0 247.216 2.884 20 70 BFIDRN O=C(CC1CCC1)N1CCc2c(F)cccc2C1 ZINC000160911076 384445519 /nfs/dbraw/zinc/44/55/19/384445519.db2.gz GKRYNXDYKKCOGD-UHFFFAOYSA-N 0 0 247.313 2.901 20 70 BFIDRN O=C(CCC1CC1)N1CCc2c(F)cccc2C1 ZINC000161013139 384455880 /nfs/dbraw/zinc/45/58/80/384455880.db2.gz PZGDYXLAMANMDF-UHFFFAOYSA-N 0 0 247.313 2.901 20 70 BFIDRN CCN(C(=O)c1ccc(C(C)C)nc1)C1CC1 ZINC000160852000 384439527 /nfs/dbraw/zinc/43/95/27/384439527.db2.gz UAFSHOGCNBCCGH-UHFFFAOYSA-N 0 0 232.327 2.830 20 70 BFIDRN CC(C)c1cc(=O)n(Cc2ccccc2F)cn1 ZINC000160827782 384441039 /nfs/dbraw/zinc/44/10/39/384441039.db2.gz OBGMKHIZUBDUMN-UHFFFAOYSA-N 0 0 246.285 2.554 20 70 BFIDRN CC(C)n1cccc1C(=O)N(C)Cc1ccco1 ZINC000160827924 384441264 /nfs/dbraw/zinc/44/12/64/384441264.db2.gz PUXWEPWGFGBDKI-UHFFFAOYSA-N 0 0 246.310 2.934 20 70 BFIDRN Cc1ccc(CN(C)Cc2scnc2C)o1 ZINC000160872333 384443304 /nfs/dbraw/zinc/44/33/04/384443304.db2.gz ZWCMJBFATHGJGO-UHFFFAOYSA-N 0 0 236.340 2.985 20 70 BFIDRN Cc1cscc1NC(=O)NOCC(C)C ZINC000161259949 384475785 /nfs/dbraw/zinc/47/57/85/384475785.db2.gz RBJUDCRIHPAGLY-UHFFFAOYSA-N 0 0 228.317 2.766 20 70 BFIDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)C1CC1 ZINC000161326111 384480085 /nfs/dbraw/zinc/48/00/85/384480085.db2.gz KNCPEUHCTQVTLE-QWRGUYRKSA-N 0 0 235.352 2.781 20 70 BFIDRN CC(C)(C(=O)Nc1cc[nH]n1)C1CCCC1 ZINC000161499254 384494582 /nfs/dbraw/zinc/49/45/82/384494582.db2.gz YZCXUZNKGDMRQS-UHFFFAOYSA-N 0 0 221.304 2.565 20 70 BFIDRN Cc1csc(CN[C@H](C)c2cscn2)n1 ZINC000161150808 384844690 /nfs/dbraw/zinc/84/46/90/384844690.db2.gz JQPYFFBIGQNNKJ-MRVPVSSYSA-N 0 0 239.369 2.759 20 70 BFIDRN FC(F)(CNCC1CC1)c1ccccc1 ZINC000161165464 384862644 /nfs/dbraw/zinc/86/26/44/384862644.db2.gz UCKMKKSJQKKURT-UHFFFAOYSA-N 0 0 211.255 2.778 20 70 BFIDRN CCCCn1ncc(Nc2ccnc(C)n2)c1C ZINC000161115472 385252467 /nfs/dbraw/zinc/25/24/67/385252467.db2.gz BVTSBMWHNNNGSP-UHFFFAOYSA-N 0 0 245.330 2.834 20 70 BFIDRN COc1cccnc1NC[C@@H](C)C(C)C ZINC000160241039 385428486 /nfs/dbraw/zinc/42/84/86/385428486.db2.gz XHRIZHGTYRWNQG-SNVBAGLBSA-N 0 0 208.305 2.794 20 70 BFIDRN CC[C@H](NC(=O)C(C)(C)C)c1c(C)noc1C ZINC000160539266 387105035 /nfs/dbraw/zinc/10/50/35/387105035.db2.gz DHTDBRYVBJUTOK-JTQLQIEISA-N 0 0 238.331 2.905 20 70 BFIDRN CCOCCC(=O)N(C)[C@H]1CCCC[C@@H]1CC ZINC000161241882 387167027 /nfs/dbraw/zinc/16/70/27/387167027.db2.gz KRCMMVULYGQYOI-STQMWFEESA-N 0 0 241.375 2.840 20 70 BFIDRN CC(C)C[C@H](C)NC(=O)[C@@H](C)C1CCOCC1 ZINC000161355469 387204137 /nfs/dbraw/zinc/20/41/37/387204137.db2.gz IRFUKOHPFHWMKV-RYUDHWBXSA-N 0 0 241.375 2.600 20 70 BFIDRN CC(C)CCC[C@@H](C)NC(=O)[C@H]1CCCCO1 ZINC000159472249 388016854 /nfs/dbraw/zinc/01/68/54/388016854.db2.gz FNVTWUMLLRPTJZ-CHWSQXEVSA-N 0 0 241.375 2.887 20 70 BFIDRN O=C(c1cc(C(F)(F)F)ccc1F)N1CCC1 ZINC000159565497 388022079 /nfs/dbraw/zinc/02/20/79/388022079.db2.gz NHUCHCFWDSNECS-UHFFFAOYSA-N 0 0 247.191 2.690 20 70 BFIDRN CCCC(=O)Nc1ccc(F)c(OC)c1 ZINC000160556683 388074341 /nfs/dbraw/zinc/07/43/41/388074341.db2.gz WFBNLGNDWXYCHL-UHFFFAOYSA-N 0 0 211.236 2.573 20 70 BFIDRN CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CCCCO1 ZINC000160669026 388082453 /nfs/dbraw/zinc/08/24/53/388082453.db2.gz SWGKNBFNRMDHMB-NSHDSACASA-N 0 0 241.375 2.887 20 70 BFIDRN CCOc1ccccc1CS[C@H](C)CO ZINC000160731376 388086791 /nfs/dbraw/zinc/08/67/91/388086791.db2.gz OPYNNXRKSXKYGR-SNVBAGLBSA-N 0 0 226.341 2.699 20 70 BFIDRN C[C@H](CO)SCc1cccc(F)c1F ZINC000160779810 388089331 /nfs/dbraw/zinc/08/93/31/388089331.db2.gz CCMYNELXZHKAJC-SSDOTTSWSA-N 0 0 218.268 2.579 20 70 BFIDRN CC(C)[C@@H]1CCN(C(=O)N2CCC(C)CC2)C1 ZINC000160827921 388092854 /nfs/dbraw/zinc/09/28/54/388092854.db2.gz JRSANZZMEBHVOK-CYBMUJFWSA-N 0 0 238.375 2.816 20 70 BFIDRN CC(C)CCNC(=O)NCC1CCCCC1 ZINC000217605752 256841763 /nfs/dbraw/zinc/84/17/63/256841763.db2.gz KBWHNVRXRNKZMI-UHFFFAOYSA-N 0 0 226.364 2.912 20 70 BFIDRN C[C@H]1CC[C@H](C)N1C(=O)C1CCCCC1 ZINC000161401755 388579931 /nfs/dbraw/zinc/57/99/31/388579931.db2.gz KRCPTHVSJQAEDJ-QWRGUYRKSA-N 0 0 209.333 2.966 20 70 BFIDRN CCc1ncnc(NC2CCCCC2)c1F ZINC000217951526 134250810 /nfs/dbraw/zinc/25/08/10/134250810.db2.gz BRQUPPYQJZWIPL-UHFFFAOYSA-N 0 0 223.295 2.923 20 70 BFIDRN COc1ccnc(NC[C@H]2CCC[C@H](C)C2)n1 ZINC000217925844 134251175 /nfs/dbraw/zinc/25/11/75/134251175.db2.gz SGIQNNWPAXOZCZ-QWRGUYRKSA-N 0 0 235.331 2.723 20 70 BFIDRN NC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000159422143 134774070 /nfs/dbraw/zinc/77/40/70/134774070.db2.gz YNQNBFKDNVUVFI-UHFFFAOYSA-N 0 0 235.674 2.621 20 70 BFIDRN CCC[C@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCO1 ZINC000159459008 134777415 /nfs/dbraw/zinc/77/74/15/134777415.db2.gz GKKUIOHPYCOJON-AGIUHOORSA-N 0 0 239.359 2.593 20 70 BFIDRN C[C@H](O)[C@H](C)Sc1nc(C(C)(C)C)ns1 ZINC000159757314 134789925 /nfs/dbraw/zinc/78/99/25/134789925.db2.gz AJBRKFFGSGQHSQ-BQBZGAKWSA-N 0 0 246.401 2.697 20 70 BFIDRN C[C@@H]1CCC[C@@H](C(=O)NCCc2cccnc2)C1 ZINC000159811100 134791571 /nfs/dbraw/zinc/79/15/71/134791571.db2.gz VWJZJDIQDAPECP-TZMCWYRMSA-N 0 0 246.354 2.567 20 70 BFIDRN CC(C)C[C@H](C)NC(=O)N[C@H]1C=CCCC1 ZINC000160266966 397754827 /nfs/dbraw/zinc/75/48/27/397754827.db2.gz WKGPQKAOMZZOAP-RYUDHWBXSA-N 0 0 224.348 2.829 20 70 BFIDRN CCN(CC)C(=O)Nc1ccc(F)c(OC)c1 ZINC000160229252 169754944 /nfs/dbraw/zinc/75/49/44/169754944.db2.gz LICCNPHUOKILTK-UHFFFAOYSA-N 0 0 240.278 2.708 20 70 BFIDRN CC1(Nc2ncnc3ccccc32)CCC1 ZINC000159973692 168065825 /nfs/dbraw/zinc/06/58/25/168065825.db2.gz LFZGXEOSGKTWRW-UHFFFAOYSA-N 0 0 213.284 2.984 20 70 BFIDRN CC1=CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000160198722 168108349 /nfs/dbraw/zinc/10/83/49/168108349.db2.gz FNUGXBCBTUTJBO-UHFFFAOYSA-N 0 0 236.702 2.527 20 70 BFIDRN Cc1cccc(C(=O)N2CC=C(C)CC2)c1F ZINC000160176498 168109013 /nfs/dbraw/zinc/10/90/13/168109013.db2.gz ZRVPDJQPJLRGMR-UHFFFAOYSA-N 0 0 233.286 2.926 20 70 BFIDRN CC1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000160305155 168172404 /nfs/dbraw/zinc/17/24/04/168172404.db2.gz VPRIYTNYQJOMMB-UHFFFAOYSA-N 0 0 246.354 2.970 20 70 BFIDRN CCC(C)(C)NC(=O)c1ccnc(Cl)c1F ZINC000161325641 168297895 /nfs/dbraw/zinc/29/78/95/168297895.db2.gz ITQMJCXWAGAUCQ-UHFFFAOYSA-N 0 0 244.697 2.793 20 70 BFIDRN CC[C@@H](S[C@H](C)C(N)=O)c1ccc(F)cc1 ZINC000161345379 170950169 /nfs/dbraw/zinc/95/01/69/170950169.db2.gz FUKVWJTXICIEGR-LDYMZIIASA-N 0 0 241.331 2.884 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)c1occc1C ZINC000159774134 171001474 /nfs/dbraw/zinc/00/14/74/171001474.db2.gz OIMXRBGFRKHCRO-GHMZBOCLSA-N 0 0 221.300 2.897 20 70 BFIDRN CC[C@H](C)NC(=O)c1cccn1C(C)C ZINC000160460402 171337886 /nfs/dbraw/zinc/33/78/86/171337886.db2.gz ABSASUGWQWBPRS-JTQLQIEISA-N 0 0 208.305 2.597 20 70 BFIDRN CC[C@H]1CC[C@H](C)N1C(=O)NCC(F)(F)F ZINC000161488170 171646049 /nfs/dbraw/zinc/64/60/49/171646049.db2.gz HHBPPBNUYOXTRR-YUMQZZPRSA-N 0 0 238.253 2.521 20 70 BFIDRN CCn1nccc1CN(C)Cc1ccccc1C ZINC000160522496 172262994 /nfs/dbraw/zinc/26/29/94/172262994.db2.gz KLTWRHJMRYYORE-UHFFFAOYSA-N 0 0 243.354 2.843 20 70 BFIDRN COCCC1(C(=O)Nc2ccncc2)CCCC1 ZINC000159603303 174151597 /nfs/dbraw/zinc/15/15/97/174151597.db2.gz VNPGLABWHZTCGX-UHFFFAOYSA-N 0 0 248.326 2.617 20 70 BFIDRN COc1cc(NCC[C@@H]2CCCO2)ccc1F ZINC000160247881 175002746 /nfs/dbraw/zinc/00/27/46/175002746.db2.gz SGVGCHDOOYFQMU-NSHDSACASA-N 0 0 239.290 2.815 20 70 BFIDRN COc1cccc(CN(C)C(=O)OC(C)C)c1 ZINC000160387899 175253823 /nfs/dbraw/zinc/25/38/23/175253823.db2.gz QTYODSRHJYAFGJ-UHFFFAOYSA-N 0 0 237.299 2.672 20 70 BFIDRN COc1ccccc1SCc1ccnn1C ZINC000161350663 175343258 /nfs/dbraw/zinc/34/32/58/175343258.db2.gz GAFRCYONESULQS-UHFFFAOYSA-N 0 0 234.324 2.721 20 70 BFIDRN CS[C@@H](C)CC(=O)NCc1ccc(C)s1 ZINC000159932177 175538937 /nfs/dbraw/zinc/53/89/37/175538937.db2.gz NKBGDDFLBHOMDK-VIFPVBQESA-N 0 0 243.397 2.814 20 70 BFIDRN C[C@@H](CO)SCCCOc1ccccc1 ZINC000160706974 175759510 /nfs/dbraw/zinc/75/95/10/175759510.db2.gz CXJGERBIFLNKID-NSHDSACASA-N 0 0 226.341 2.570 20 70 BFIDRN C[C@H](NC(=O)NC1(C)CCC1)c1cccc(O)c1 ZINC000161197948 176800177 /nfs/dbraw/zinc/80/01/77/176800177.db2.gz QJYYLCVNQCHQME-JTQLQIEISA-N 0 0 248.326 2.695 20 70 BFIDRN COc1cccnc1NCc1ccccc1 ZINC000159447883 322969212 /nfs/dbraw/zinc/96/92/12/322969212.db2.gz FESJMHGYZARDAJ-UHFFFAOYSA-N 0 0 214.268 2.702 20 70 BFIDRN CCOC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000159487863 322971291 /nfs/dbraw/zinc/97/12/91/322971291.db2.gz VYRFBPGPGQMWOL-AWEZNQCLSA-N 0 0 249.354 2.927 20 70 BFIDRN Cc1ccc(NC(=O)[C@H]2CCCCO2)cc1F ZINC000159539889 323035982 /nfs/dbraw/zinc/03/59/82/323035982.db2.gz LAOIUGRKXLLMSQ-GFCCVEGCSA-N 0 0 237.274 2.642 20 70 BFIDRN CN(CCOCC1CC1)c1ccc(F)c(F)c1 ZINC000159558748 323036696 /nfs/dbraw/zinc/03/66/96/323036696.db2.gz QIDMCWQNVYHVFP-UHFFFAOYSA-N 0 0 241.281 2.828 20 70 BFIDRN CC(C)Cn1nccc1NC(=O)C1=CCCC1 ZINC000159598411 323039962 /nfs/dbraw/zinc/03/99/62/323039962.db2.gz LLSNEZLKHCXBSC-UHFFFAOYSA-N 0 0 233.315 2.588 20 70 BFIDRN CCCC[C@@H](CC)CC(=O)NC[C@H](O)C(C)C ZINC000159746944 323046685 /nfs/dbraw/zinc/04/66/85/323046685.db2.gz ORZARKQJJZWWLH-OLZOCXBDSA-N 0 0 243.391 2.726 20 70 BFIDRN CC(C)(C)CC(=O)NCC1(C2CC2)CC1 ZINC000159775836 323047512 /nfs/dbraw/zinc/04/75/12/323047512.db2.gz VNAMITCQISGWCD-UHFFFAOYSA-N 0 0 209.333 2.729 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)c1ccoc1C ZINC000159782064 323047589 /nfs/dbraw/zinc/04/75/89/323047589.db2.gz MPQLBPAWMMKUEY-ZYHUDNBSSA-N 0 0 221.300 2.897 20 70 BFIDRN CCc1cc(C)c(C(=O)Nc2c(C)n[nH]c2C)o1 ZINC000159959981 323055190 /nfs/dbraw/zinc/05/51/90/323055190.db2.gz XYJLWEVRZLQTPV-UHFFFAOYSA-N 0 0 247.298 2.743 20 70 BFIDRN CC1(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000159998187 323057210 /nfs/dbraw/zinc/05/72/10/323057210.db2.gz GUNMJACJPLWXCV-CHWSQXEVSA-N 0 0 244.338 2.784 20 70 BFIDRN Cc1nc(NC(=O)C2=CCCC2)cc(C2CC2)n1 ZINC000160023061 323057844 /nfs/dbraw/zinc/05/78/44/323057844.db2.gz QHWIISIBKMECKT-UHFFFAOYSA-N 0 0 243.310 2.711 20 70 BFIDRN CC(C)c1nnc(NC(=O)C2=CCCC2)s1 ZINC000160049709 323058777 /nfs/dbraw/zinc/05/87/77/323058777.db2.gz IRFNIKXFYFOGEP-UHFFFAOYSA-N 0 0 237.328 2.710 20 70 BFIDRN Cc1nc(NC(=O)[C@@H](C)C2CC2)cc(C2CC2)n1 ZINC000160131978 323061128 /nfs/dbraw/zinc/06/11/28/323061128.db2.gz MTSWHNGZNDUJMI-QMMMGPOBSA-N 0 0 245.326 2.647 20 70 BFIDRN CC[C@@H](C)C(=O)N[C@H]1CCc2c1cccc2OC ZINC000160152167 323061449 /nfs/dbraw/zinc/06/14/49/323061449.db2.gz LOKFMQKOXIVBQE-MFKMUULPSA-N 0 0 247.338 2.845 20 70 BFIDRN O=C(/C=C/C1CCOCC1)NCCC1=CCCC1 ZINC000160200514 323063412 /nfs/dbraw/zinc/06/34/12/323063412.db2.gz OIIZTNSRCGRRII-AATRIKPKSA-N 0 0 249.354 2.586 20 70 BFIDRN Cc1cc(NC(=O)C(C)(C)C2CCCC2)n(C)n1 ZINC000160257012 323064464 /nfs/dbraw/zinc/06/44/64/323064464.db2.gz UZTLCNQGAUNFEZ-UHFFFAOYSA-N 0 0 249.358 2.883 20 70 BFIDRN O=C(NCC1(C2CC2)CCC1)N[C@@H]1C=CCCC1 ZINC000160268471 323064515 /nfs/dbraw/zinc/06/45/15/323064515.db2.gz XTTGFVLHNHEEDI-CYBMUJFWSA-N 0 0 248.370 2.975 20 70 BFIDRN CCCC1(CNC(=O)CCOCC(C)C)CC1 ZINC000160454198 323066712 /nfs/dbraw/zinc/06/67/12/323066712.db2.gz IBQWNWGFLWHFCD-UHFFFAOYSA-N 0 0 241.375 2.746 20 70 BFIDRN CC[C@H](NC(=O)c1cc[nH]c1)c1c(C)noc1C ZINC000160559354 323071296 /nfs/dbraw/zinc/07/12/96/323071296.db2.gz PHJRPKQEAMHPNB-NSHDSACASA-N 0 0 247.298 2.501 20 70 BFIDRN CCC[C@@H](C(=O)N[C@@H](CO)CC(C)C)C(C)C ZINC000160675267 323075521 /nfs/dbraw/zinc/07/55/21/323075521.db2.gz SJKZPWZOQQERMC-CHWSQXEVSA-N 0 0 243.391 2.582 20 70 BFIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnccn1 ZINC000161147500 323075843 /nfs/dbraw/zinc/07/58/43/323075843.db2.gz NBNVYIJJXIFFOF-YPMHNXCESA-N 0 0 247.342 2.517 20 70 BFIDRN CCn1ccnc1CN(C)Cc1ccc(C)cc1 ZINC000160687240 323103298 /nfs/dbraw/zinc/10/32/98/323103298.db2.gz IDMGRAOYHQWOKG-UHFFFAOYSA-N 0 0 243.354 2.843 20 70 BFIDRN Cn1ccnc1CN1CCCc2cccc(F)c21 ZINC000160746909 323104968 /nfs/dbraw/zinc/10/49/68/323104968.db2.gz NCRPUKLWVRZXRG-UHFFFAOYSA-N 0 0 245.301 2.512 20 70 BFIDRN CCCC1(CNC(=O)[C@@H](C)CSC)CC1 ZINC000160772680 323135191 /nfs/dbraw/zinc/13/51/91/323135191.db2.gz PFEPNAFNULQEMZ-JTQLQIEISA-N 0 0 229.389 2.682 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000160818422 323136285 /nfs/dbraw/zinc/13/62/85/323136285.db2.gz MRQQSFDOWSNPDL-YGRLFVJLSA-N 0 0 243.310 2.938 20 70 BFIDRN C[C@@H]1CCN(C(=O)Nc2cccnc2)C[C@@H](C)C1 ZINC000160818800 323136320 /nfs/dbraw/zinc/13/63/20/323136320.db2.gz OKMNBLQCWIRYMU-NEPJUHHUSA-N 0 0 247.342 2.982 20 70 BFIDRN C[C@@H]1C[C@H](C)CCN(C(=O)Nc2cccnc2)C1 ZINC000160818534 323136349 /nfs/dbraw/zinc/13/63/49/323136349.db2.gz OKMNBLQCWIRYMU-VXGBXAGGSA-N 0 0 247.342 2.982 20 70 BFIDRN CC(C)c1cccc(N(C)Cc2nncn2C)c1 ZINC000160852664 323136972 /nfs/dbraw/zinc/13/69/72/323136972.db2.gz DMCAIWHBHOOOIA-UHFFFAOYSA-N 0 0 244.342 2.575 20 70 BFIDRN Cc1ccc(C)c(SCc2nncn2C)c1 ZINC000160975763 323141079 /nfs/dbraw/zinc/14/10/79/323141079.db2.gz VHQZYQSEZMQRQA-UHFFFAOYSA-N 0 0 233.340 2.724 20 70 BFIDRN CCCC[C@H](CC)CC(=O)NC[C@H](C)CCO ZINC000161047612 323144542 /nfs/dbraw/zinc/14/45/42/323144542.db2.gz YJWYGJQTRIXEBR-OLZOCXBDSA-N 0 0 243.391 2.728 20 70 BFIDRN CCCC[C@H](CC)CC(=O)NC[C@@H](C)CCO ZINC000161047384 323144706 /nfs/dbraw/zinc/14/47/06/323144706.db2.gz YJWYGJQTRIXEBR-STQMWFEESA-N 0 0 243.391 2.728 20 70 BFIDRN CS[C@H](C)CC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000161093527 323146178 /nfs/dbraw/zinc/14/61/78/323146178.db2.gz OBEJZQDDZIMBFE-RAIGVLPGSA-N 0 0 249.379 2.800 20 70 BFIDRN CCCOCC(=O)N(C)[C@@H]1CCCC[C@H]1CC ZINC000161192818 323195545 /nfs/dbraw/zinc/19/55/45/323195545.db2.gz FCFCERYQVDAQNU-CHWSQXEVSA-N 0 0 241.375 2.840 20 70 BFIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)CCCOC ZINC000161297788 323493708 /nfs/dbraw/zinc/49/37/08/323493708.db2.gz MUMPEKWSXDSTEZ-QWHCGFSZSA-N 0 0 241.375 2.840 20 70 BFIDRN CCCC[C@H](CC)CNC(=O)c1cc(C)ncn1 ZINC000161461394 323521109 /nfs/dbraw/zinc/52/11/09/323521109.db2.gz SXOWNLFIPRFVQH-LBPRGKRZSA-N 0 0 249.358 2.731 20 70 BFIDRN CCO[C@H](C)c1nccn1C[C@@H]1CCCCO1 ZINC000161472989 323523978 /nfs/dbraw/zinc/52/39/78/323523978.db2.gz IMJXILHAAOJEGZ-NEPJUHHUSA-N 0 0 238.331 2.550 20 70 BFIDRN CS[C@@H]1CCCCN(C(=O)NCC(C)C)C1 ZINC000161128187 487982303 /nfs/dbraw/zinc/98/23/03/487982303.db2.gz GAHPSBJICOJUPH-LLVKDONJSA-N 0 0 244.404 2.570 20 70 BFIDRN CC(=O)c1ccnc(N2CC[C@@H](C(C)C)C2)c1 ZINC000160286241 488121519 /nfs/dbraw/zinc/12/15/19/488121519.db2.gz PUHZEYZGCBWSKM-CYBMUJFWSA-N 0 0 232.327 2.767 20 70 BFIDRN Cc1cccc(F)c1NCC1(C)COC1 ZINC000160312679 488121931 /nfs/dbraw/zinc/12/19/31/488121931.db2.gz POLGOEAVQRZQEU-UHFFFAOYSA-N 0 0 209.264 2.583 20 70 BFIDRN Cc1ccc(NC(=O)N(C)CCC2CC2)cn1 ZINC000160577787 538884994 /nfs/dbraw/zinc/88/49/94/538884994.db2.gz YKDLLMZPKAKUAC-UHFFFAOYSA-N 0 0 233.315 2.654 20 70 BFIDRN Cc1nccc(NC(=O)N(C)C2CC2)c1Cl ZINC000159729271 566484809 /nfs/dbraw/zinc/48/48/09/566484809.db2.gz FAFYCCYXWOHFMW-UHFFFAOYSA-N 0 0 239.706 2.670 20 70 BFIDRN CC[C@H](CSC)Nc1nccs1 ZINC000217377195 582839601 /nfs/dbraw/zinc/83/96/01/582839601.db2.gz LTNLNGXRRJMYEC-SSDOTTSWSA-N 0 0 202.348 2.697 20 70 BFIDRN Fc1cc(Cl)cc(NC(=S)NC2CC2)c1 ZINC000217467503 583178730 /nfs/dbraw/zinc/17/87/30/583178730.db2.gz YGTIBPQXTZQNEO-UHFFFAOYSA-N 0 0 244.722 2.928 20 70 BFIDRN COC[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C ZINC000217699950 592148624 /nfs/dbraw/zinc/14/86/24/592148624.db2.gz PPSMFIPEUHIIPG-JTQLQIEISA-N 0 0 245.363 2.962 20 70 BFIDRN CCC(C)(C)C(=O)OC[C@@H]1CCC[C@@H](O)C1 ZINC000217796583 592149526 /nfs/dbraw/zinc/14/95/26/592149526.db2.gz CXERZLKKEUPKNT-GHMZBOCLSA-N 0 0 228.332 2.517 20 70 BFIDRN Cc1cccc(C(=O)NCCc2ccco2)c1F ZINC000161409147 349439949 /nfs/dbraw/zinc/43/99/49/349439949.db2.gz VTCHNZYAFFVLHM-UHFFFAOYSA-N 0 0 247.269 2.700 20 70 BFIDRN CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(C)nc1 ZINC000161378609 538915308 /nfs/dbraw/zinc/91/53/08/538915308.db2.gz CXINZUSGWNSKHB-ONGXEEELSA-N 0 0 235.331 2.946 20 70 BFIDRN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)cn1 ZINC000161415455 538915577 /nfs/dbraw/zinc/91/55/77/538915577.db2.gz MYTSMUDXLBCGKD-TXEJJXNPSA-N 0 0 245.326 2.654 20 70 BFIDRN Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H]2C)cn1 ZINC000161430386 538915579 /nfs/dbraw/zinc/91/55/79/538915579.db2.gz ZXFRKICBEYPCGQ-ONGXEEELSA-N 0 0 233.315 2.652 20 70 BFIDRN Cc1ccc(NC(=O)N(C)[C@@H](C)C2CC2)cn1 ZINC000161396018 538915585 /nfs/dbraw/zinc/91/55/85/538915585.db2.gz JESLTIJCQSJYNZ-JTQLQIEISA-N 0 0 233.315 2.652 20 70 BFIDRN CC(C)(C(=O)NC1CC=CC1)c1cccs1 ZINC000160837113 538912951 /nfs/dbraw/zinc/91/29/51/538912951.db2.gz MZVFCTGGASRNNE-UHFFFAOYSA-N 0 0 235.352 2.861 20 70 BFIDRN CC(C)CCN(C(=O)[C@H]1CCCCO1)C1CC1 ZINC000160911271 538913152 /nfs/dbraw/zinc/91/31/52/538913152.db2.gz SFSIRQZBAUWJFX-CYBMUJFWSA-N 0 0 239.359 2.593 20 70 BFIDRN C[C@H](CC(=O)N(C)C1CCC1)c1ccncc1 ZINC000160867206 538913444 /nfs/dbraw/zinc/91/34/44/538913444.db2.gz GDJVIKFMTFRMFQ-LLVKDONJSA-N 0 0 232.327 2.586 20 70 BFIDRN FCCCSCc1nc(C2CC2)no1 ZINC000161496560 349465687 /nfs/dbraw/zinc/46/56/87/349465687.db2.gz DYLZEVKNTWORBR-UHFFFAOYSA-N 0 0 216.281 2.540 20 70 BFIDRN C[C@@H]1CC[C@@H](NC(=O)c2ccccc2)C1 ZINC000159584908 136214495 /nfs/dbraw/zinc/21/44/95/136214495.db2.gz XGCIBFUGEHYQOU-ZYHUDNBSSA-N 0 0 203.285 2.605 20 70 BFIDRN Cc1cccc(F)c1NCCC(C)(C)O ZINC000160319574 136218240 /nfs/dbraw/zinc/21/82/40/136218240.db2.gz OQYXLIGYGVUWMJ-UHFFFAOYSA-N 0 0 211.280 2.707 20 70 BFIDRN Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000161144891 398206479 /nfs/dbraw/zinc/20/64/79/398206479.db2.gz BJIUGAMIZRRVIB-DGCLKSJQSA-N 0 0 246.354 2.833 20 70 BFIDRN Cc1cc(Oc2ccc(F)nc2)nc(C2CC2)n1 ZINC000161237004 178214525 /nfs/dbraw/zinc/21/45/25/178214525.db2.gz UJQSBELLMRFYRT-UHFFFAOYSA-N 0 0 245.257 2.989 20 70 BFIDRN C[C@@H]1C[C@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000161052422 136273785 /nfs/dbraw/zinc/27/37/85/136273785.db2.gz SALCJJJDPNCFMK-RQJHMYQMSA-N 0 0 231.221 2.563 20 70 BFIDRN O=C(C(F)F)N1CCC[C@@H]1c1cccs1 ZINC000217644088 136277992 /nfs/dbraw/zinc/27/79/92/136277992.db2.gz UZTZYYRFIOCVOG-SSDOTTSWSA-N 0 0 231.267 2.677 20 70 BFIDRN COC(=O)c1cncc(OC2CCCCC2)c1 ZINC000217740876 343536501 /nfs/dbraw/zinc/53/65/01/343536501.db2.gz SRACCYQVJBREFQ-UHFFFAOYSA-N 0 0 235.283 2.580 20 70 BFIDRN CC[C@H](NC(=O)C1CCC1)c1c(C)noc1C ZINC000159943612 323054658 /nfs/dbraw/zinc/05/46/58/323054658.db2.gz JMBNAOWYELIVND-NSHDSACASA-N 0 0 236.315 2.659 20 70 BFIDRN CC1CCC(N(C)C(=O)[C@H]2CCCCO2)CC1 ZINC000160132550 323061103 /nfs/dbraw/zinc/06/11/03/323061103.db2.gz XYMUMCXNMQCNOZ-WXRRBKDZSA-N 0 0 239.359 2.593 20 70 BFIDRN Cc1cc(Cl)ccc1C(=O)Nc1ccn(C)n1 ZINC000159451604 345434942 /nfs/dbraw/zinc/43/49/42/345434942.db2.gz SHPCGEIGXRQLCK-UHFFFAOYSA-N 0 0 249.701 2.634 20 70 BFIDRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H]1CCCO1 ZINC000159459152 345437180 /nfs/dbraw/zinc/43/71/80/345437180.db2.gz GKKUIOHPYCOJON-XQQFMLRXSA-N 0 0 239.359 2.593 20 70 BFIDRN C[C@H]1C[C@H](C)N(C(=O)c2ccc3c(c2)CCN3)C1 ZINC000159503425 345438832 /nfs/dbraw/zinc/43/88/32/345438832.db2.gz BVUIQYCGFDJVKG-QWRGUYRKSA-N 0 0 244.338 2.525 20 70 BFIDRN C[C@@H]1C[C@H](C)CN1C(=O)c1ccc2c(c1)CCN2 ZINC000159503724 345439342 /nfs/dbraw/zinc/43/93/42/345439342.db2.gz BVUIQYCGFDJVKG-WDEREUQCSA-N 0 0 244.338 2.525 20 70 BFIDRN CC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000159835240 345558567 /nfs/dbraw/zinc/55/85/67/345558567.db2.gz JJWOCMQYCZFTMF-HNNXBMFYSA-N 0 0 240.306 2.616 20 70 BFIDRN CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000159835407 345558809 /nfs/dbraw/zinc/55/88/09/345558809.db2.gz JJWOCMQYCZFTMF-OAHLLOKOSA-N 0 0 240.306 2.616 20 70 BFIDRN CC(C)CSCCCNC(=O)C1=CCCC1 ZINC000160880870 345514175 /nfs/dbraw/zinc/51/41/75/345514175.db2.gz BXGJELVGVIYJIV-UHFFFAOYSA-N 0 0 241.400 2.992 20 70 BFIDRN CC(C)CNC(=O)c1ccc(C(C)C)nc1 ZINC000159493655 346422903 /nfs/dbraw/zinc/42/29/03/346422903.db2.gz DZCFITZKODGCHB-UHFFFAOYSA-N 0 0 220.316 2.591 20 70 BFIDRN COc1cccnc1NCCc1ccsc1 ZINC000160219860 346444403 /nfs/dbraw/zinc/44/44/03/346444403.db2.gz PSBCWURXBMYWGP-UHFFFAOYSA-N 0 0 234.324 2.806 20 70 BFIDRN Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000160795451 323135748 /nfs/dbraw/zinc/13/57/48/323135748.db2.gz MGYWAPUQOAYPGE-GZMMTYOYSA-N 0 0 235.331 2.791 20 70 BFIDRN CCCOCC(=O)N(C)[C@@H]1CCCC[C@@H]1CC ZINC000161192575 323193078 /nfs/dbraw/zinc/19/30/78/323193078.db2.gz FCFCERYQVDAQNU-QWHCGFSZSA-N 0 0 241.375 2.840 20 70 BFIDRN CC(C)OCC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000160957712 349343975 /nfs/dbraw/zinc/34/39/75/349343975.db2.gz KHEMEWJIIGLWDU-UHFFFAOYSA-N 0 0 239.359 2.616 20 70 BFIDRN Cc1noc(CCCc2sccc2C)n1 ZINC000160993531 349354770 /nfs/dbraw/zinc/35/47/70/349354770.db2.gz KWXGXLFIJNFRSW-UHFFFAOYSA-N 0 0 222.313 2.923 20 70 BFIDRN C[C@H]1C[C@@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000161052304 349367165 /nfs/dbraw/zinc/36/71/65/349367165.db2.gz SALCJJJDPNCFMK-NKWVEPMBSA-N 0 0 231.221 2.563 20 70 BFIDRN Cc1nc(NC(=O)CCC2CC2)cc(C2CC2)n1 ZINC000160266801 180006564 /nfs/dbraw/zinc/00/65/64/180006564.db2.gz WAFXPTJSXZLDAE-UHFFFAOYSA-N 0 0 245.326 2.791 20 70 BFIDRN CC(=O)O[C@H]1CC(C)(C)Oc2ccccc21 ZINC000218560441 350096067 /nfs/dbraw/zinc/09/60/67/350096067.db2.gz VUZPIHDXSZMWEL-LBPRGKRZSA-N 0 0 220.268 2.852 20 70 BFIDRN CC[C@H]1CN(C(=O)CCC(C)(C)C)C[C@@H](C)O1 ZINC000159775550 350999853 /nfs/dbraw/zinc/99/98/53/350999853.db2.gz DOXHTUFJDZJMMZ-NEPJUHHUSA-N 0 0 241.375 2.839 20 70 BFIDRN Fc1cccc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1 ZINC000160327467 181002371 /nfs/dbraw/zinc/00/23/71/181002371.db2.gz SEJYRISAXJMYRM-GHMZBOCLSA-N 0 0 236.290 2.590 20 70 BFIDRN CC1CCN(C(=O)N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000160836359 535270342 /nfs/dbraw/zinc/27/03/42/535270342.db2.gz NGQKDPKCNITSJD-STQMWFEESA-N 0 0 238.375 2.816 20 70 BFIDRN CCOCCC[N@H+](CC)Cc1ccoc1 ZINC000160249409 355709949 /nfs/dbraw/zinc/70/99/49/355709949.db2.gz UWOQZXMJKNJCQL-UHFFFAOYSA-N 0 0 211.305 2.528 20 70 BFIDRN COc1cccnc1NC[C@@]1(C)CCCS1 ZINC000160254380 355761204 /nfs/dbraw/zinc/76/12/04/355761204.db2.gz CADKGQMHGGPBCX-GFCCVEGCSA-N 0 0 238.356 2.788 20 70 BFIDRN CCN(Cc1nccn1CC)Cc1ccccc1 ZINC000160678688 357168554 /nfs/dbraw/zinc/16/85/54/357168554.db2.gz DOKRCKSPLAKQFQ-UHFFFAOYSA-N 0 0 243.354 2.925 20 70 BFIDRN CCC(C)(CC)C(=O)Nc1cccc(N(C)C)n1 ZINC000159465522 538877389 /nfs/dbraw/zinc/87/73/89/538877389.db2.gz FEDHLSHDOWHKNH-UHFFFAOYSA-N 0 0 249.358 2.912 20 70 BFIDRN Cc1cc(NC(=O)C[C@@H](C)c2ccncc2)no1 ZINC000160440757 538884546 /nfs/dbraw/zinc/88/45/46/538884546.db2.gz ZFYLCRAEKHYKHG-SECBINFHSA-N 0 0 245.282 2.510 20 70 BFIDRN Cc1cc(NC(=O)C[C@H](C)c2ccncc2)no1 ZINC000160440875 538884777 /nfs/dbraw/zinc/88/47/77/538884777.db2.gz ZFYLCRAEKHYKHG-VIFPVBQESA-N 0 0 245.282 2.510 20 70 BFIDRN CCc1ncnc(Nc2cnn(C(C)C)c2)c1F ZINC000218003323 134251635 /nfs/dbraw/zinc/25/16/35/134251635.db2.gz YFRVTKSIECSTPK-UHFFFAOYSA-N 0 0 249.293 2.699 20 70 BFIDRN Cc1nnc(CSCc2ccccc2C)n1C ZINC000160932638 359386677 /nfs/dbraw/zinc/38/66/77/359386677.db2.gz PUTTZYXCLHHUKW-UHFFFAOYSA-N 0 0 247.367 2.865 20 70 BFIDRN Cc1nnc(CSCc2ccccc2)n1C ZINC000160951671 359537891 /nfs/dbraw/zinc/53/78/91/359537891.db2.gz SJOFDQFLZOOOOK-UHFFFAOYSA-N 0 0 233.340 2.557 20 70 BFIDRN CCCCCSCCCCS(C)(=O)=O ZINC000160953717 359547806 /nfs/dbraw/zinc/54/78/06/359547806.db2.gz JHNVCGMLHOZJID-UHFFFAOYSA-N 0 0 238.418 2.735 20 70 BFIDRN O=C(Cc1ccc(O)cc1)NCCC1=CCCC1 ZINC000160277287 182037602 /nfs/dbraw/zinc/03/76/02/182037602.db2.gz VUBMTFMQJIPPJC-UHFFFAOYSA-N 0 0 245.322 2.551 20 70 BFIDRN O=C(NC1CC1)N[C@H]1CCCc2sccc21 ZINC000161168885 182097625 /nfs/dbraw/zinc/09/76/25/182097625.db2.gz UMCCVVKSGTZOET-JTQLQIEISA-N 0 0 236.340 2.587 20 70 BFIDRN O=C(N[C@@H]1CCCc2sccc21)c1cocn1 ZINC000160189680 182302692 /nfs/dbraw/zinc/30/26/92/182302692.db2.gz YOYJVKFOHPYWEQ-SECBINFHSA-N 0 0 248.307 2.544 20 70 BFIDRN O=C(Nc1ccc2c(c1)CCCN2)NC1CCC1 ZINC000160862378 182364038 /nfs/dbraw/zinc/36/40/38/182364038.db2.gz FNMXZAFBDOXFNO-UHFFFAOYSA-N 0 0 245.326 2.719 20 70 BFIDRN c1ccc(-c2nnc(N3CCCCC3)s2)nc1 ZINC000159510874 183384903 /nfs/dbraw/zinc/38/49/03/183384903.db2.gz MVYPUVHVYHJBKJ-UHFFFAOYSA-N 0 0 246.339 2.590 20 70 BFIDRN COc1cccnc1N[C@H]1CCC[C@H]1C ZINC000159469597 384226309 /nfs/dbraw/zinc/22/63/09/384226309.db2.gz OGMJQGCTKTUXQH-ZJUUUORDSA-N 0 0 206.289 2.691 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)c1cc[nH]c1C ZINC000159792520 384354574 /nfs/dbraw/zinc/35/45/74/384354574.db2.gz DIUCOOIFXPIDIZ-JQWIXIFHSA-N 0 0 220.316 2.632 20 70 BFIDRN Cc1cc(C)cc(NC(=O)N[C@@]2(C)CCOC2)c1 ZINC000159399544 384329048 /nfs/dbraw/zinc/32/90/48/384329048.db2.gz MVUUSGCNOZQUTF-AWEZNQCLSA-N 0 0 248.326 2.604 20 70 BFIDRN CCC[C@@H]1CCCN(c2ccnc(C)n2)C1 ZINC000160590279 384423527 /nfs/dbraw/zinc/42/35/27/384423527.db2.gz ZJDDTVMVIXJZHO-GFCCVEGCSA-N 0 0 219.332 2.802 20 70 BFIDRN CCCCOC(=O)[C@@H](C)Sc1ccncc1 ZINC000159973397 384375924 /nfs/dbraw/zinc/37/59/24/384375924.db2.gz GUNLMYXEDXEKDC-SNVBAGLBSA-N 0 0 239.340 2.906 20 70 BFIDRN CN(CCC1CC1)C(=O)NCc1cccs1 ZINC000160907123 384445319 /nfs/dbraw/zinc/44/53/19/384445319.db2.gz CXIFOHGHKWWSBB-UHFFFAOYSA-N 0 0 238.356 2.690 20 70 BFIDRN CCCC1(CNC(=O)/C=C/c2cccnc2)CC1 ZINC000160733121 384431705 /nfs/dbraw/zinc/43/17/05/384431705.db2.gz SEDHXHRDBMUREH-AATRIKPKSA-N 0 0 244.338 2.791 20 70 BFIDRN CC(C)[C@H](C)CC(=O)Nc1cccc(F)n1 ZINC000160830769 384441063 /nfs/dbraw/zinc/44/10/63/384441063.db2.gz BLJXKXDUELNVIV-SECBINFHSA-N 0 0 224.279 2.841 20 70 BFIDRN Cn1c2ccccc2nc1N[C@@H]1CCCSC1 ZINC000161088972 384460463 /nfs/dbraw/zinc/46/04/63/384460463.db2.gz KZKMSXXMYBQLTA-SNVBAGLBSA-N 0 0 247.367 2.881 20 70 BFIDRN COC(=O)c1cc(CSCCCF)oc1C ZINC000161057139 384461870 /nfs/dbraw/zinc/46/18/70/384461870.db2.gz USSDCWRTNGJXTG-UHFFFAOYSA-N 0 0 246.303 2.967 20 70 BFIDRN Cc1ccc(Cl)c(OCc2ccnn2C)c1 ZINC000161175160 384470764 /nfs/dbraw/zinc/47/07/64/384470764.db2.gz OTFQPBGDDPLFET-UHFFFAOYSA-N 0 0 236.702 2.961 20 70 BFIDRN C[C@H](NCc1ccoc1)c1cscn1 ZINC000161162689 384861654 /nfs/dbraw/zinc/86/16/54/384861654.db2.gz QZJADKGXZKHRLK-QMMMGPOBSA-N 0 0 208.286 2.587 20 70 BFIDRN CCCCn1ncc(C(=O)N2CCCCC2)c1C ZINC000161304128 384966538 /nfs/dbraw/zinc/96/65/38/384966538.db2.gz ZTDPSWTZLWUYNH-UHFFFAOYSA-N 0 0 249.358 2.618 20 70 BFIDRN Cc1ccsc1CCCC(=O)Nc1cn[nH]c1 ZINC000161450297 385060666 /nfs/dbraw/zinc/06/06/66/385060666.db2.gz DCMIFZNBBXLNFD-UHFFFAOYSA-N 0 0 249.339 2.741 20 70 BFIDRN COC(=O)CN(c1cc(C)ccc1C)C(C)C ZINC000160448692 385631754 /nfs/dbraw/zinc/63/17/54/385631754.db2.gz RXWAOZOISIGBED-UHFFFAOYSA-N 0 0 235.327 2.691 20 70 BFIDRN CCc1ccc([C@@H](C)NC(=O)C(F)F)cc1 ZINC000217634206 385888330 /nfs/dbraw/zinc/88/83/30/385888330.db2.gz BLOZVOBDCJMXTE-MRVPVSSYSA-N 0 0 227.254 2.691 20 70 BFIDRN CC[C@H]1CC[C@@H](C)N1C(=O)NCC(F)(F)F ZINC000161488400 385976777 /nfs/dbraw/zinc/97/67/77/385976777.db2.gz HHBPPBNUYOXTRR-SFYZADRCSA-N 0 0 238.253 2.521 20 70 BFIDRN CC(C)(C)CCC(=O)NCc1cccc(O)c1 ZINC000160225289 387072862 /nfs/dbraw/zinc/07/28/62/387072862.db2.gz FWWWXMUTDQCZMT-UHFFFAOYSA-N 0 0 235.327 2.835 20 70 BFIDRN CC(C)c1noc(N[C@H]2CCOC(C)(C)C2)n1 ZINC000160716350 387110544 /nfs/dbraw/zinc/11/05/44/387110544.db2.gz PYZIVHSIPLNJPN-VIFPVBQESA-N 0 0 239.319 2.563 20 70 BFIDRN CCOCCC(=O)N(C)[C@@H]1CCCC[C@@H]1CC ZINC000161242158 387167370 /nfs/dbraw/zinc/16/73/70/387167370.db2.gz KRCMMVULYGQYOI-QWHCGFSZSA-N 0 0 241.375 2.840 20 70 BFIDRN CC[C@@H](SCCC(N)=O)c1ccc(F)cc1 ZINC000161344576 387189563 /nfs/dbraw/zinc/18/95/63/387189563.db2.gz QSFVOJORFUJGRI-LLVKDONJSA-N 0 0 241.331 2.885 20 70 BFIDRN CS[C@@H](C)CNC(=O)c1ccc(C)cc1F ZINC000159465202 388016491 /nfs/dbraw/zinc/01/64/91/388016491.db2.gz JGUCHTUPFPDXAE-VIFPVBQESA-N 0 0 241.331 2.615 20 70 BFIDRN CC(C)NC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000160444335 388067910 /nfs/dbraw/zinc/06/79/10/388067910.db2.gz GEYLRBSVDRKOHJ-UHFFFAOYSA-N 0 0 224.348 2.783 20 70 BFIDRN C[C@@H](CO)SCc1ncc(C(C)(C)C)o1 ZINC000160774855 388089529 /nfs/dbraw/zinc/08/95/29/388089529.db2.gz HNJZUYDWNLNJQV-QMMMGPOBSA-N 0 0 229.345 2.586 20 70 BFIDRN CC(=O)c1ccc(OCC2CC2)cc1F ZINC000217504534 388569962 /nfs/dbraw/zinc/56/99/62/388569962.db2.gz URVCPLMGACVDET-UHFFFAOYSA-N 0 0 208.232 2.817 20 70 BFIDRN CCc1ncnc(NC[C@H]2CC2(C)C)c1F ZINC000218017041 134250553 /nfs/dbraw/zinc/25/05/53/134250553.db2.gz ZSOLGKYMVLSHBU-MRVPVSSYSA-N 0 0 223.295 2.636 20 70 BFIDRN COc1ccnc(NC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000217925610 134250887 /nfs/dbraw/zinc/25/08/87/134250887.db2.gz SGIQNNWPAXOZCZ-GHMZBOCLSA-N 0 0 235.331 2.723 20 70 BFIDRN CN(Cc1ccco1)C(=O)c1ccc(Cl)o1 ZINC000218078552 134251697 /nfs/dbraw/zinc/25/16/97/134251697.db2.gz LCNJFBBDVWQXDI-UHFFFAOYSA-N 0 0 239.658 2.798 20 70 BFIDRN CCc1ncnc(N[C@@H](C)C2CCC2)c1F ZINC000218083617 134251731 /nfs/dbraw/zinc/25/17/31/134251731.db2.gz NLJYVINMXYDMBA-QMMMGPOBSA-N 0 0 223.295 2.779 20 70 BFIDRN Cc1nc(C)c(C(=O)Nc2ccc(C)c(O)c2)o1 ZINC000159476659 134776686 /nfs/dbraw/zinc/77/66/86/134776686.db2.gz CRGWNKAZIPFPLL-UHFFFAOYSA-N 0 0 246.266 2.558 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)CCOCC(C)C ZINC000159516094 134778853 /nfs/dbraw/zinc/77/88/53/134778853.db2.gz YDIHASCYKUNACL-STQMWFEESA-N 0 0 241.375 2.744 20 70 BFIDRN CC(C)C(=O)N1CCc2c1cccc2Cl ZINC000161468108 166711200 /nfs/dbraw/zinc/71/12/00/166711200.db2.gz YZTCJMCANHTORC-UHFFFAOYSA-N 0 0 223.703 2.885 20 70 BFIDRN CC(C)OC(=O)N[C@@H]1CCOc2ccccc21 ZINC000160511843 167165430 /nfs/dbraw/zinc/16/54/30/167165430.db2.gz DXFQPMYEBLONCW-LLVKDONJSA-N 0 0 235.283 2.645 20 70 BFIDRN CCC[C@@H](C)NC(=O)c1ccc(OC)cc1F ZINC000218445174 411187345 /nfs/dbraw/zinc/18/73/45/411187345.db2.gz HYZWLSYJPANJDQ-SECBINFHSA-N 0 0 239.290 2.753 20 70 BFIDRN CCC(=CC(=O)Nc1cccc(F)n1)CC ZINC000160847088 168195343 /nfs/dbraw/zinc/19/53/43/168195343.db2.gz ASEYNAZQPWBVMX-UHFFFAOYSA-N 0 0 222.263 2.906 20 70 BFIDRN CCOC(C)(C)CNc1cnc2ccccc2n1 ZINC000159547799 170314356 /nfs/dbraw/zinc/31/43/56/170314356.db2.gz LHUFCNXPHQGMCW-UHFFFAOYSA-N 0 0 245.326 2.857 20 70 BFIDRN CC[C@H](C(=O)NCC(F)F)c1ccc(F)cc1 ZINC000160636183 171227193 /nfs/dbraw/zinc/22/71/93/171227193.db2.gz ZRPUDXQYTCEUDF-JTQLQIEISA-N 0 0 245.244 2.701 20 70 BFIDRN CCc1ncnc(N[C@@H](C)c2cccnc2)c1F ZINC000217959626 172033520 /nfs/dbraw/zinc/03/35/20/172033520.db2.gz FTDCPOOOJDUUDZ-VIFPVBQESA-N 0 0 246.289 2.746 20 70 BFIDRN COc1cc(N[C@@H](C)[C@@H]2CCOC2)ccc1F ZINC000160106760 175003089 /nfs/dbraw/zinc/00/30/89/175003089.db2.gz NSYZMPQHUHNNOZ-VHSXEESVSA-N 0 0 239.290 2.671 20 70 BFIDRN COc1cc(N[C@H](C)c2cnccn2)ccc1F ZINC000160086189 175004579 /nfs/dbraw/zinc/00/45/79/175004579.db2.gz UBOQWSQFGMWEEF-SECBINFHSA-N 0 0 247.273 2.797 20 70 BFIDRN COc1ccccc1OC(=O)C1=C(C)OCCC1 ZINC000160494301 175339724 /nfs/dbraw/zinc/33/97/24/175339724.db2.gz NQVCCCQSTJJNSB-UHFFFAOYSA-N 0 0 248.278 2.685 20 70 BFIDRN C[C@@H](CO)SCCOc1ccc(Cl)cc1 ZINC000160773594 175759333 /nfs/dbraw/zinc/75/93/33/175759333.db2.gz ZJMGUCOEGSEQKH-VIFPVBQESA-N 0 0 246.759 2.833 20 70 BFIDRN C[C@H](C(=O)N1CCc2c(F)cccc2C1)C1CC1 ZINC000161058402 176565743 /nfs/dbraw/zinc/56/57/43/176565743.db2.gz MCFXQYQVFNVYKV-JTQLQIEISA-N 0 0 247.313 2.757 20 70 BFIDRN C[C@H](OC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000160003627 177020074 /nfs/dbraw/zinc/02/00/74/177020074.db2.gz BYCXLEDGTSYALR-AAEUAGOBSA-N 0 0 234.295 2.860 20 70 BFIDRN C[C@H]1CCCN(C(=O)N(C)Cc2ccccc2)C1 ZINC000160304873 177092652 /nfs/dbraw/zinc/09/26/52/177092652.db2.gz JSAKJYZGBIDLIT-ZDUSSCGKSA-N 0 0 246.354 2.970 20 70 BFIDRN C[C@@H]1CC[C@H](C)N1c1ccnc(C2CC2)n1 ZINC000161389021 177187876 /nfs/dbraw/zinc/18/78/76/177187876.db2.gz UIJXACKGJJCTAW-AOOOYVTPSA-N 0 0 217.316 2.731 20 70 BFIDRN COCCCCNC(=O)C(C)(C)C1CCCC1 ZINC000159409702 322966985 /nfs/dbraw/zinc/96/69/85/322966985.db2.gz SGIWVBLGHMGYGL-UHFFFAOYSA-N 0 0 241.375 2.746 20 70 BFIDRN CC[C@H](C)OCC(=O)N1CC[C@H](CC(C)C)C1 ZINC000159433511 322968698 /nfs/dbraw/zinc/96/86/98/322968698.db2.gz ARDPTLWFAPNUPY-QWHCGFSZSA-N 0 0 241.375 2.696 20 70 BFIDRN CCC1(CNC(=O)NCC2(C3CC3)CC2)CC1 ZINC000159457334 322969530 /nfs/dbraw/zinc/96/95/30/322969530.db2.gz SXMMMNWARJYIAK-UHFFFAOYSA-N 0 0 236.359 2.666 20 70 BFIDRN C[C@H]1CCC[C@H](C(=O)N(C)Cc2ccncc2)C1 ZINC000159519445 323033727 /nfs/dbraw/zinc/03/37/27/323033727.db2.gz XDKSNWQGXDWBLI-JSGCOSHPSA-N 0 0 246.354 2.866 20 70 BFIDRN C[C@H]1CCC[C@@H](C(=O)N(C)Cc2ccncc2)C1 ZINC000159519695 323035365 /nfs/dbraw/zinc/03/53/65/323035365.db2.gz XDKSNWQGXDWBLI-GXTWGEPZSA-N 0 0 246.354 2.866 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1ccco1 ZINC000159570710 323037446 /nfs/dbraw/zinc/03/74/46/323037446.db2.gz PEGDNELYGKUGJL-YPMHNXCESA-N 0 0 221.300 2.674 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1ccco1 ZINC000159570967 323037539 /nfs/dbraw/zinc/03/75/39/323037539.db2.gz PEGDNELYGKUGJL-AAEUAGOBSA-N 0 0 221.300 2.674 20 70 BFIDRN COCC(C)(C)C(=O)NCCC1=CCCCC1 ZINC000159607914 323040200 /nfs/dbraw/zinc/04/02/00/323040200.db2.gz JZIYFEIOZSELTQ-UHFFFAOYSA-N 0 0 239.359 2.666 20 70 BFIDRN CC(C)CCNC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000159656970 323042615 /nfs/dbraw/zinc/04/26/15/323042615.db2.gz JAFIBJKEASBCTD-NEPJUHHUSA-N 0 0 226.364 2.720 20 70 BFIDRN CCN(CC)C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000159664912 323043403 /nfs/dbraw/zinc/04/34/03/323043403.db2.gz LGOSDWKLVGEXSB-RYUDHWBXSA-N 0 0 226.364 2.816 20 70 BFIDRN CCCCCOc1cccc(-n2cncn2)c1 ZINC000159702175 323044397 /nfs/dbraw/zinc/04/43/97/323044397.db2.gz MFQCIEJIKMLHRX-UHFFFAOYSA-N 0 0 231.299 2.836 20 70 BFIDRN Fc1ccc(F)c(SCCn2ccnc2)c1 ZINC000159740455 323045961 /nfs/dbraw/zinc/04/59/61/323045961.db2.gz AXDOVSJMIQDOTR-UHFFFAOYSA-N 0 0 240.278 2.954 20 70 BFIDRN CC(C)CCC(=O)NCC1(C2CC2)CC1 ZINC000159759039 323047161 /nfs/dbraw/zinc/04/71/61/323047161.db2.gz XVTKYYXRLAOGCL-UHFFFAOYSA-N 0 0 209.333 2.729 20 70 BFIDRN O=C(CCC1CCC1)NCC1(C2CC2)CC1 ZINC000159865574 323051013 /nfs/dbraw/zinc/05/10/13/323051013.db2.gz GQUKJAQPHLMUKH-UHFFFAOYSA-N 0 0 221.344 2.873 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C)cn1 ZINC000159882876 323051922 /nfs/dbraw/zinc/05/19/22/323051922.db2.gz MQGNSXGSQBUINW-ZWNOBZJWSA-N 0 0 218.300 2.765 20 70 BFIDRN CC1(NC(=O)NC2CCCCC2)CCC1 ZINC000159964292 323055974 /nfs/dbraw/zinc/05/59/74/323055974.db2.gz RCNYIYJWMIYTRY-UHFFFAOYSA-N 0 0 210.321 2.561 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccnn1CC(C)C ZINC000159993285 323057222 /nfs/dbraw/zinc/05/72/22/323057222.db2.gz IXBDGVJMEWTQHH-RISCZKNCSA-N 0 0 249.358 2.914 20 70 BFIDRN CC(C)[C@@H](C)CC(=O)NCC1(C2CC2)CC1 ZINC000160033396 323058261 /nfs/dbraw/zinc/05/82/61/323058261.db2.gz DGFAHXVJGAHIFQ-NSHDSACASA-N 0 0 223.360 2.975 20 70 BFIDRN CC[C@H](C)OCC(=O)Nc1c(F)cccc1F ZINC000160075518 323059914 /nfs/dbraw/zinc/05/99/14/323059914.db2.gz RHMWLGODWXCGNG-QMMMGPOBSA-N 0 0 243.253 2.718 20 70 BFIDRN O=C(CC1CCCC1)NCC1(C2CC2)CC1 ZINC000160083015 323059986 /nfs/dbraw/zinc/05/99/86/323059986.db2.gz UBBRBNAYINGZOU-UHFFFAOYSA-N 0 0 221.344 2.873 20 70 BFIDRN CC1(NC(=O)NC[C@H]2CC=CCC2)CCC1 ZINC000160116653 323061005 /nfs/dbraw/zinc/06/10/05/323061005.db2.gz KDOKTHQKTHSINY-NSHDSACASA-N 0 0 222.332 2.585 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCCc1cccc(F)c1 ZINC000160172218 323062693 /nfs/dbraw/zinc/06/26/93/323062693.db2.gz RJQPLPBUUHCXGG-HIFRSBDPSA-N 0 0 249.329 2.921 20 70 BFIDRN COc1cccnc1NCCc1cccs1 ZINC000160197575 323062942 /nfs/dbraw/zinc/06/29/42/323062942.db2.gz QBJCXYZBULKEAN-UHFFFAOYSA-N 0 0 234.324 2.806 20 70 BFIDRN CC[C@H](NC(=O)c1ccco1)c1c(C)noc1C ZINC000160221741 323064367 /nfs/dbraw/zinc/06/43/67/323064367.db2.gz HKKURPHZWLOAML-JTQLQIEISA-N 0 0 248.282 2.766 20 70 BFIDRN Cn1ccc(-c2nc3c(cccc3F)n2C)c1 ZINC000160268022 323064469 /nfs/dbraw/zinc/06/44/69/323064469.db2.gz CTYHXRKSXVRYFG-UHFFFAOYSA-N 0 0 229.258 2.718 20 70 BFIDRN CC(C)OC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000160509646 323069737 /nfs/dbraw/zinc/06/97/37/323069737.db2.gz NWPWXYNUKYDOES-CYBMUJFWSA-N 0 0 233.311 2.679 20 70 BFIDRN CC[C@@H](NC(=O)c1ccoc1)c1c(C)noc1C ZINC000160533919 323070262 /nfs/dbraw/zinc/07/02/62/323070262.db2.gz YDWLSABZOWHHPZ-LLVKDONJSA-N 0 0 248.282 2.766 20 70 BFIDRN CC[C@H](NC(=O)c1ccoc1)c1c(C)noc1C ZINC000160533797 323070268 /nfs/dbraw/zinc/07/02/68/323070268.db2.gz YDWLSABZOWHHPZ-NSHDSACASA-N 0 0 248.282 2.766 20 70 BFIDRN CC[C@@H](NC(=O)c1ccc[nH]1)c1c(C)noc1C ZINC000160627125 323073975 /nfs/dbraw/zinc/07/39/75/323073975.db2.gz MPUHEKDXLZIXOM-SNVBAGLBSA-N 0 0 247.298 2.501 20 70 BFIDRN CN(CC(F)F)C(=O)C1CCC(C)(C)CC1 ZINC000160001670 323075326 /nfs/dbraw/zinc/07/53/26/323075326.db2.gz SMUJMOZFSRBIGB-UHFFFAOYSA-N 0 0 233.302 2.926 20 70 BFIDRN CC(C)CCNC(=O)c1ccc(C(C)C)nc1 ZINC000159377906 323075122 /nfs/dbraw/zinc/07/51/22/323075122.db2.gz GIUYUWLEHMLRRF-UHFFFAOYSA-N 0 0 234.343 2.981 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C)cn1 ZINC000159883213 323075285 /nfs/dbraw/zinc/07/52/85/323075285.db2.gz MQGNSXGSQBUINW-GWCFXTLKSA-N 0 0 218.300 2.765 20 70 BFIDRN Cc1cc(C(=O)N[C@@H](C)CCCC(C)C)ncn1 ZINC000161431400 323075937 /nfs/dbraw/zinc/07/59/37/323075937.db2.gz QXHQKJFHLBPAGJ-NSHDSACASA-N 0 0 249.358 2.730 20 70 BFIDRN CCCC1(CNC(=O)[C@H](C)CSC)CC1 ZINC000160772805 323134712 /nfs/dbraw/zinc/13/47/12/323134712.db2.gz PFEPNAFNULQEMZ-SNVBAGLBSA-N 0 0 229.389 2.682 20 70 BFIDRN CC(C)CSCCCNC(=O)[C@H](C)C1CC1 ZINC000160814274 323136369 /nfs/dbraw/zinc/13/63/69/323136369.db2.gz QJJKTDMGHCJBFX-LLVKDONJSA-N 0 0 243.416 2.928 20 70 BFIDRN C[C@H]1CCC[C@@H](C(=O)N(C)Cc2cccn2C)C1 ZINC000160910382 323138908 /nfs/dbraw/zinc/13/89/08/323138908.db2.gz HOGHRXBCASMZLY-QWHCGFSZSA-N 0 0 248.370 2.810 20 70 BFIDRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCCO2)cc1 ZINC000160956899 323140217 /nfs/dbraw/zinc/14/02/17/323140217.db2.gz VWDCFTIFRXTRJC-TZMCWYRMSA-N 0 0 247.338 2.741 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)N(C(C)C)C1CC1 ZINC000160984261 323142239 /nfs/dbraw/zinc/14/22/39/323142239.db2.gz XTUXXOCVOPLGFI-AAEUAGOBSA-N 0 0 209.333 2.822 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C(C)C)C1CC1 ZINC000160983844 323142266 /nfs/dbraw/zinc/14/22/66/323142266.db2.gz XTUXXOCVOPLGFI-DGCLKSJQSA-N 0 0 209.333 2.822 20 70 BFIDRN Cc1nnc(CSc2cccc(C)c2)n1C ZINC000161038954 323144085 /nfs/dbraw/zinc/14/40/85/323144085.db2.gz MUNQBQHCBPRSKI-UHFFFAOYSA-N 0 0 233.340 2.724 20 70 BFIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnccn1 ZINC000161147722 323149329 /nfs/dbraw/zinc/14/93/29/323149329.db2.gz NBNVYIJJXIFFOF-DGCLKSJQSA-N 0 0 247.342 2.517 20 70 BFIDRN CC(C)(C)CN(CCCO)C(=O)OC(C)(C)C ZINC000161369296 323506580 /nfs/dbraw/zinc/50/65/80/323506580.db2.gz MDAMCZBJKKKXSU-UHFFFAOYSA-N 0 0 245.363 2.652 20 70 BFIDRN Cc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)o1 ZINC000161412067 323508455 /nfs/dbraw/zinc/50/84/55/323508455.db2.gz KANJTQUWRNTILQ-IUCAKERBSA-N 0 0 207.273 2.601 20 70 BFIDRN CC(=O)Nc1scnc1-c1ccccc1 ZINC000161413057 323508842 /nfs/dbraw/zinc/50/88/42/323508842.db2.gz ZFTVQQPZEUJZHN-UHFFFAOYSA-N 0 0 218.281 2.769 20 70 BFIDRN COCC(C)(C)C(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000161463277 323525752 /nfs/dbraw/zinc/52/57/52/323525752.db2.gz OBAXFGKDSZADQS-VXGBXAGGSA-N 0 0 241.375 2.554 20 70 BFIDRN CCCCCNc1ncnc(CC)c1F ZINC000217951321 535078114 /nfs/dbraw/zinc/07/81/14/535078114.db2.gz FSFXQOJXYKNHPY-UHFFFAOYSA-N 0 0 211.284 2.780 20 70 BFIDRN O=C(CCn1cccc1)OC1CCCCC1 ZINC000218331666 582717439 /nfs/dbraw/zinc/71/74/39/582717439.db2.gz BMHMSJPHTPJRMV-UHFFFAOYSA-N 0 0 221.300 2.754 20 70 BFIDRN O=C(OCCC1CC1)c1ccc(Cl)nc1 ZINC000217705866 592148680 /nfs/dbraw/zinc/14/86/80/592148680.db2.gz YYBTUFPFFBGFKC-UHFFFAOYSA-N 0 0 225.675 2.692 20 70 BFIDRN CCCNC(=S)NCC(C)(C)C(C)C ZINC000218745530 592176972 /nfs/dbraw/zinc/17/69/72/592176972.db2.gz QTJCXJBPZWLOCY-UHFFFAOYSA-N 0 0 216.394 2.543 20 70 BFIDRN CN(Cc1cccc(Cl)c1)Cc1cncnc1 ZINC000161126823 538914555 /nfs/dbraw/zinc/91/45/55/538914555.db2.gz FTLXFRUUWOBBNQ-UHFFFAOYSA-N 0 0 247.729 2.762 20 70 BFIDRN Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)cn1 ZINC000161415593 538915592 /nfs/dbraw/zinc/91/55/92/538915592.db2.gz MYTSMUDXLBCGKD-VXGBXAGGSA-N 0 0 245.326 2.654 20 70 BFIDRN O=C(NC1CC=CC1)C1(c2ccccc2)CC1 ZINC000160828891 538912870 /nfs/dbraw/zinc/91/28/70/538912870.db2.gz VUQHVDKWLLPQMI-UHFFFAOYSA-N 0 0 227.307 2.553 20 70 BFIDRN C[C@H](CC(=O)N1CCC[C@@H]1C)c1ccncc1 ZINC000160925136 538913137 /nfs/dbraw/zinc/91/31/37/538913137.db2.gz HXUDFFABBYOQNR-NEPJUHHUSA-N 0 0 232.327 2.586 20 70 BFIDRN O=C(NC1CC=CC1)c1nccc2ccccc21 ZINC000160893715 538913304 /nfs/dbraw/zinc/91/33/04/538913304.db2.gz KTRUMKWDOUZEOE-UHFFFAOYSA-N 0 0 238.290 2.683 20 70 BFIDRN Cc1cccc(O[C@@H](C)C(=O)NC2CC=CC2)c1 ZINC000160993232 538913524 /nfs/dbraw/zinc/91/35/24/538913524.db2.gz HJQKRSRZMJMZBL-LBPRGKRZSA-N 0 0 245.322 2.597 20 70 BFIDRN Cc1cccc2c1CCN2Cc1ccccn1 ZINC000159789496 398193119 /nfs/dbraw/zinc/19/31/19/398193119.db2.gz CWFWJYOCEHVULR-UHFFFAOYSA-N 0 0 224.307 2.953 20 70 BFIDRN CC[C@@H](C)[C@H](C)Nc1cc(C(=O)OC)ccn1 ZINC000218125098 398325657 /nfs/dbraw/zinc/32/56/57/398325657.db2.gz CPTZWBVNWUHMLJ-ZJUUUORDSA-N 0 0 236.315 2.715 20 70 BFIDRN CSCc1noc(C2CCCCC2)n1 ZINC000159613216 323040508 /nfs/dbraw/zinc/04/05/08/323040508.db2.gz LAIRGSVXZUWVAK-UHFFFAOYSA-N 0 0 212.318 2.980 20 70 BFIDRN Cc1occc1C(=O)NCC1(C2CC2)CC1 ZINC000159911164 323053215 /nfs/dbraw/zinc/05/32/15/323053215.db2.gz LLPNQSUIYJMURM-UHFFFAOYSA-N 0 0 219.284 2.508 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)[C@H]1CC=CCC1 ZINC000159980389 323056423 /nfs/dbraw/zinc/05/64/23/323056423.db2.gz URZNYLFPCZUKQK-NSHDSACASA-N 0 0 219.328 2.649 20 70 BFIDRN O=C(Cc1ccsc1)NCC1(C2CC2)CC1 ZINC000160084924 323060124 /nfs/dbraw/zinc/06/01/24/323060124.db2.gz YORASSQKDSHGTE-UHFFFAOYSA-N 0 0 235.352 2.597 20 70 BFIDRN CCN(C(=O)[C@H]1CCCCO1)C1CCCCC1 ZINC000160565481 323071833 /nfs/dbraw/zinc/07/18/33/323071833.db2.gz KLECTXFCCVPNAJ-CYBMUJFWSA-N 0 0 239.359 2.737 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)C1CC1 ZINC000159540485 345441368 /nfs/dbraw/zinc/44/13/68/345441368.db2.gz FFVVPJNIEQMGPO-NHCYSSNCSA-N 0 0 209.333 2.727 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC000159540733 345441515 /nfs/dbraw/zinc/44/15/15/345441515.db2.gz FFVVPJNIEQMGPO-JBLDHEPKSA-N 0 0 209.333 2.727 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CCCO1 ZINC000159641129 345451499 /nfs/dbraw/zinc/45/14/99/345451499.db2.gz OSIUBVNCBQKEGC-AVGNSLFASA-N 0 0 239.359 2.641 20 70 BFIDRN C[C@H]1CCC[C@H](C(=O)NCCc2cccnc2)C1 ZINC000159810969 345554238 /nfs/dbraw/zinc/55/42/38/345554238.db2.gz VWJZJDIQDAPECP-JSGCOSHPSA-N 0 0 246.354 2.567 20 70 BFIDRN Cc1ccc(C(=O)N[C@H]2CC[C@H](C)C2)cc1 ZINC000159771049 345519217 /nfs/dbraw/zinc/51/92/17/345519217.db2.gz BQAYHAZYJAWOLT-AAEUAGOBSA-N 0 0 217.312 2.913 20 70 BFIDRN Cc1cccc(C(=O)NCC2(C3CC3)CC2)c1 ZINC000159777308 179016139 /nfs/dbraw/zinc/01/61/39/179016139.db2.gz VCOWSJKIWLWBMS-UHFFFAOYSA-N 0 0 229.323 2.915 20 70 BFIDRN CCCC1(CNC(=O)N[C@@H](C)CC)CC1 ZINC000160234011 346358090 /nfs/dbraw/zinc/35/80/90/346358090.db2.gz OVUMZVMNUUBZAU-JTQLQIEISA-N 0 0 212.337 2.664 20 70 BFIDRN Cc1ccc(CNC(=O)C2(C)CC2)cc1F ZINC000160245461 346358463 /nfs/dbraw/zinc/35/84/63/346358463.db2.gz UIDNULGHVDUBSC-UHFFFAOYSA-N 0 0 221.275 2.550 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)c1cccnc1 ZINC000159832453 346432202 /nfs/dbraw/zinc/43/22/02/346432202.db2.gz USXBNSHDRDOYEA-SCRDCRAPSA-N 0 0 246.354 2.880 20 70 BFIDRN CC[C@@H](SCc1c(C)cccc1C)C(N)=O ZINC000161379016 346486195 /nfs/dbraw/zinc/48/61/95/346486195.db2.gz WZMWFMDLJSGTFR-GFCCVEGCSA-N 0 0 237.368 2.801 20 70 BFIDRN Cc1cccc(N[C@@H]2CCOC(C)(C)C2)n1 ZINC000159996143 179155395 /nfs/dbraw/zinc/15/53/95/179155395.db2.gz RPBGMWKFKFKVOW-LLVKDONJSA-N 0 0 220.316 2.760 20 70 BFIDRN Cc1cccc(OC(=O)[C@@H]2CCCCO2)c1C ZINC000159743598 179161680 /nfs/dbraw/zinc/16/16/80/179161680.db2.gz JYEOAQYOFFBZQO-ZDUSSCGKSA-N 0 0 234.295 2.778 20 70 BFIDRN CCC1(C(=O)N(C)Cc2cccn2C)CCC1 ZINC000160418242 348200060 /nfs/dbraw/zinc/20/00/60/348200060.db2.gz JTYASKLLXOTZFY-UHFFFAOYSA-N 0 0 234.343 2.564 20 70 BFIDRN Cc1ccsc1C(=O)NCC1(C2CC2)CC1 ZINC000159847243 179536856 /nfs/dbraw/zinc/53/68/56/179536856.db2.gz WHWUCGAAUJMUGV-UHFFFAOYSA-N 0 0 235.352 2.977 20 70 BFIDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cn[nH]c1 ZINC000161450567 179553329 /nfs/dbraw/zinc/55/33/29/179553329.db2.gz HWZGBDMXDJHDEI-ZJUUUORDSA-N 0 0 247.323 2.522 20 70 BFIDRN CN(Cc1cccn1C)C(=O)CCC(C)(C)C ZINC000160908261 349337832 /nfs/dbraw/zinc/33/78/32/349337832.db2.gz BZADRHBIKWZFFC-UHFFFAOYSA-N 0 0 236.359 2.810 20 70 BFIDRN CNc1ccccc1C(=O)N1CC[C@@H](C(C)C)C1 ZINC000160954833 349343376 /nfs/dbraw/zinc/34/33/76/349343376.db2.gz XNLLQOIVCKNWFP-GFCCVEGCSA-N 0 0 246.354 2.846 20 70 BFIDRN CCC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000161109506 349376107 /nfs/dbraw/zinc/37/61/07/349376107.db2.gz CLTCATFTSHTOLI-UHFFFAOYSA-N 0 0 229.283 2.529 20 70 BFIDRN CC[C@@H](SC)c1nc(C2CCOCC2)no1 ZINC000161348063 349427086 /nfs/dbraw/zinc/42/70/86/349427086.db2.gz BCXZGKOPSNHCNV-SECBINFHSA-N 0 0 242.344 2.778 20 70 BFIDRN O=C(Cc1cncs1)c1ccccc1 ZINC000159688580 350973674 /nfs/dbraw/zinc/97/36/74/350973674.db2.gz NWRRSLZUFWZTTE-UHFFFAOYSA-N 0 0 203.266 2.569 20 70 BFIDRN COCC1CCN(C(=O)CCC(C)(C)C)CC1 ZINC000159953740 351131852 /nfs/dbraw/zinc/13/18/52/351131852.db2.gz ZTBJRJOJNPEOJZ-UHFFFAOYSA-N 0 0 241.375 2.698 20 70 BFIDRN CCCCNC(=O)N1CCCC[C@H](SC)C1 ZINC000161123886 363101990 /nfs/dbraw/zinc/10/19/90/363101990.db2.gz OIXOZQDNPIFQDO-NSHDSACASA-N 0 0 244.404 2.714 20 70 BFIDRN C[C@@H](CNC(=O)c1ccc(Cl)o1)C1CC1 ZINC000218763155 353154962 /nfs/dbraw/zinc/15/49/62/353154962.db2.gz LKDFZHANQOAQGJ-ZETCQYMHSA-N 0 0 227.691 2.709 20 70 BFIDRN CCC[C@H](CC)NC(=O)c1ccncc1F ZINC000161401758 188221516 /nfs/dbraw/zinc/22/15/16/188221516.db2.gz XZNAQVALOBYYBZ-VIFPVBQESA-N 0 0 224.279 2.529 20 70 BFIDRN Fc1cccc(N[C@H]2CCO[C@@H](C3CC3)C2)n1 ZINC000160327582 181003102 /nfs/dbraw/zinc/00/31/02/181003102.db2.gz SEJYRISAXJMYRM-WDEREUQCSA-N 0 0 236.290 2.590 20 70 BFIDRN Cc1ccccc1CN(C)C(=O)[C@H]1CCCCO1 ZINC000160989365 188517273 /nfs/dbraw/zinc/51/72/73/188517273.db2.gz PYMBXIBTKOVLPC-CQSZACIVSA-N 0 0 247.338 2.523 20 70 BFIDRN CS[C@@H](C)CC(=O)NC[C@@H]1Cc2ccccc21 ZINC000160290220 355852419 /nfs/dbraw/zinc/85/24/19/355852419.db2.gz JQICHLXJEWKYOW-JQWIXIFHSA-N 0 0 249.379 2.584 20 70 BFIDRN CC1(Nc2ncnc3c2CCCC3)CCC1 ZINC000159976201 538881070 /nfs/dbraw/zinc/88/10/70/538881070.db2.gz BVQLAVQYPMNXKU-UHFFFAOYSA-N 0 0 217.316 2.710 20 70 BFIDRN CCC(C)(CC)C(=O)NCC(C)(C)CCOC ZINC000159485300 538877314 /nfs/dbraw/zinc/87/73/14/538877314.db2.gz HIHBFVVUZXGFRX-UHFFFAOYSA-N 0 0 243.391 2.992 20 70 BFIDRN CCCC1(CNC(=O)c2cc(C)nn2CC)CC1 ZINC000160563099 538885292 /nfs/dbraw/zinc/88/52/92/538885292.db2.gz WXJLORMGMFMWQE-UHFFFAOYSA-N 0 0 249.358 2.522 20 70 BFIDRN CC(=O)CCC(=O)Nc1cc(F)cc(Cl)c1 ZINC000218083392 134251654 /nfs/dbraw/zinc/25/16/54/134251654.db2.gz QUOHPKVCCQFYDD-UHFFFAOYSA-N 0 0 243.665 2.787 20 70 BFIDRN Cc1cccc(OC[C@@H]2CCCO2)c1C ZINC000217800463 134250693 /nfs/dbraw/zinc/25/06/93/134250693.db2.gz VKUDXEVBFAGCTA-LBPRGKRZSA-N 0 0 206.285 2.861 20 70 BFIDRN CCCc1cc(=O)n(-c2cccc(OC)c2)[nH]1 ZINC000160982049 359625900 /nfs/dbraw/zinc/62/59/00/359625900.db2.gz UVTMYOCKAUDJEG-UHFFFAOYSA-N 0 0 232.283 2.588 20 70 BFIDRN CC[C@@H]1CC[C@H](C)N1C(=O)NC1CCCC1 ZINC000161489499 200712083 /nfs/dbraw/zinc/71/20/83/200712083.db2.gz JCIUOPCVLWILCP-CMPLNLGQSA-N 0 0 224.348 2.902 20 70 BFIDRN Cc1occc1C(=O)N[C@@H]1CC[C@H](C)C1 ZINC000159769333 361288709 /nfs/dbraw/zinc/28/87/09/361288709.db2.gz KZZCDBFKPGNPCB-WCBMZHEXSA-N 0 0 207.273 2.506 20 70 BFIDRN CC(C)C[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159816457 361291040 /nfs/dbraw/zinc/29/10/40/361291040.db2.gz PZLNSMYVXZICOY-UHFFFAOYSA-N 0 0 211.280 2.619 20 70 BFIDRN CC[C@H](C)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000159816143 361291131 /nfs/dbraw/zinc/29/11/31/361291131.db2.gz KUGAWQJOFDATMD-VIFPVBQESA-N 0 0 211.280 2.762 20 70 BFIDRN Cc1ccc(CNC(=O)N2CCC[C@H](C)C2)o1 ZINC000160513174 361256878 /nfs/dbraw/zinc/25/68/78/361256878.db2.gz NCIIIMDDKDNIKL-JTQLQIEISA-N 0 0 236.315 2.530 20 70 BFIDRN CC[C@@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC000160985369 361335492 /nfs/dbraw/zinc/33/54/92/361335492.db2.gz BRQDWVMRLYIYQR-MRVPVSSYSA-N 0 0 219.275 2.727 20 70 BFIDRN CCOC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000159363700 201678175 /nfs/dbraw/zinc/67/81/75/201678175.db2.gz VLYVAOSUDBUWNY-BDAKNGLRSA-N 0 0 210.298 2.723 20 70 BFIDRN O=C(NC1CC1)N[C@@H]1CCCc2sccc21 ZINC000161168755 182097352 /nfs/dbraw/zinc/09/73/52/182097352.db2.gz UMCCVVKSGTZOET-SNVBAGLBSA-N 0 0 236.340 2.587 20 70 BFIDRN O=C(N[C@@H]1CCCc2sccc21)c1ccon1 ZINC000159870756 182302447 /nfs/dbraw/zinc/30/24/47/182302447.db2.gz LIUNICYWARXFCX-SECBINFHSA-N 0 0 248.307 2.544 20 70 BFIDRN COC(=O)C1([N@H+](C)CCC(C)(C)C)CCCC1 ZINC000159364398 384005680 /nfs/dbraw/zinc/00/56/80/384005680.db2.gz RMKMXEXXMFJAOX-UHFFFAOYSA-N 0 0 241.375 2.840 20 70 BFIDRN CS[C@@H](C)CNC(=O)N[C@@H]1CCCC1(C)C ZINC000159469152 384226164 /nfs/dbraw/zinc/22/61/64/384226164.db2.gz VQBVWMISPOKWJB-VHSXEESVSA-N 0 0 244.404 2.616 20 70 BFIDRN Cc1ccc(C)c(OC(=O)[C@H]2CCCCO2)c1 ZINC000159506840 384335362 /nfs/dbraw/zinc/33/53/62/384335362.db2.gz XMVWZXMOGXFXGW-GFCCVEGCSA-N 0 0 234.295 2.778 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)CCc1ccccn1 ZINC000159592945 384341371 /nfs/dbraw/zinc/34/13/71/384341371.db2.gz WEULBBZCJADUKA-GXTWGEPZSA-N 0 0 246.354 2.709 20 70 BFIDRN Cc1ccc(C(=O)NCC2(C3CC3)CC2)s1 ZINC000159773957 384354818 /nfs/dbraw/zinc/35/48/18/384354818.db2.gz SBRHLFRWDLKVTJ-UHFFFAOYSA-N 0 0 235.352 2.977 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)c1occc1C ZINC000159774277 384355670 /nfs/dbraw/zinc/35/56/70/384355670.db2.gz OIMXRBGFRKHCRO-WDEREUQCSA-N 0 0 221.300 2.897 20 70 BFIDRN O=C(/C=C/c1ccco1)NCC1(C2CC2)CC1 ZINC000159775091 384356526 /nfs/dbraw/zinc/35/65/26/384356526.db2.gz MEZOKLAAHZKNTD-AATRIKPKSA-N 0 0 231.295 2.599 20 70 BFIDRN CCc1ccc(NC(=O)N[C@@]2(C)CCOC2)cc1 ZINC000159410810 384328660 /nfs/dbraw/zinc/32/86/60/384328660.db2.gz RUXKIQDYBSYYKV-AWEZNQCLSA-N 0 0 248.326 2.550 20 70 BFIDRN CCC[C@H](C(=O)NCc1ccco1)C(C)C ZINC000160431653 384411268 /nfs/dbraw/zinc/41/12/68/384411268.db2.gz ABMYFZMHXGJYFH-LBPRGKRZSA-N 0 0 223.316 2.968 20 70 BFIDRN CC(C)n1cccc1C(=O)N1CCCCC1 ZINC000160442663 384412017 /nfs/dbraw/zinc/41/20/17/384412017.db2.gz LQZUOMVOJUCHBZ-UHFFFAOYSA-N 0 0 220.316 2.695 20 70 BFIDRN CS[C@H](C)CC(=O)N(C)c1ccc(F)cc1 ZINC000160476443 384416171 /nfs/dbraw/zinc/41/61/71/384416171.db2.gz XJJLKPURKDQFLE-SECBINFHSA-N 0 0 241.331 2.930 20 70 BFIDRN CCN(C)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000160507894 384417969 /nfs/dbraw/zinc/41/79/69/384417969.db2.gz IRNYWPNJPWCUEZ-CYBMUJFWSA-N 0 0 232.327 2.548 20 70 BFIDRN CCCc1nc(CSc2ccncc2)no1 ZINC000159974816 384376004 /nfs/dbraw/zinc/37/60/04/384376004.db2.gz CXIMWARATNJXNW-UHFFFAOYSA-N 0 0 235.312 2.709 20 70 BFIDRN CC(C)n1cccc1C(=O)Nc1nccs1 ZINC000160958059 384451818 /nfs/dbraw/zinc/45/18/18/384451818.db2.gz MCZSZCJIDBKPSQ-UHFFFAOYSA-N 0 0 235.312 2.778 20 70 BFIDRN CC(=O)CCN(Cc1ccccc1F)C1CC1 ZINC000160757127 384433731 /nfs/dbraw/zinc/43/37/31/384433731.db2.gz RWAZVZVFHYVDJV-UHFFFAOYSA-N 0 0 235.302 2.769 20 70 BFIDRN CN(Cc1ccnn1C)Cc1ccc(Cl)cc1 ZINC000160810660 384438066 /nfs/dbraw/zinc/43/80/66/384438066.db2.gz ZWWVYYFDIDCBOU-UHFFFAOYSA-N 0 0 249.745 2.706 20 70 BFIDRN Cc1cc(NC(=O)C2=C(C)OCCC2)ccc1O ZINC000161098751 384463976 /nfs/dbraw/zinc/46/39/76/384463976.db2.gz KXEQPEDJYLUWEN-UHFFFAOYSA-N 0 0 247.294 2.724 20 70 BFIDRN C[C@@H]([NH2+]CC1CCSCC1)c1cscn1 ZINC000161198679 384473918 /nfs/dbraw/zinc/47/39/18/384473918.db2.gz JGZYLVPVHDLPNF-SECBINFHSA-N 0 0 242.413 2.937 20 70 BFIDRN CNC(=O)c1ccccc1OC1CCCCC1 ZINC000159825702 384513079 /nfs/dbraw/zinc/51/30/79/384513079.db2.gz QTEMMZZNCXUZTK-UHFFFAOYSA-N 0 0 233.311 2.758 20 70 BFIDRN COC[C@@H](Nc1ccc(F)c(OC)c1)C1CC1 ZINC000160148544 384639097 /nfs/dbraw/zinc/63/90/97/384639097.db2.gz UDPOWHLFLXMTBJ-GFCCVEGCSA-N 0 0 239.290 2.671 20 70 BFIDRN COc1cccnc1NC[C@H](C)C(C)C ZINC000160240904 385429436 /nfs/dbraw/zinc/42/94/36/385429436.db2.gz XHRIZHGTYRWNQG-JTQLQIEISA-N 0 0 208.305 2.794 20 70 BFIDRN C[C@H](CO)SCCCC(=O)c1ccccc1 ZINC000160755344 385717839 /nfs/dbraw/zinc/71/78/39/385717839.db2.gz HIFQDXXXVGINPT-LLVKDONJSA-N 0 0 238.352 2.764 20 70 BFIDRN CC[C@H](NC(=O)C1(C)CC1)c1c(C)noc1C ZINC000160211581 387073057 /nfs/dbraw/zinc/07/30/57/387073057.db2.gz MXNOGHDIZPBOCT-JTQLQIEISA-N 0 0 236.315 2.659 20 70 BFIDRN CC[C@@H](NC(=O)CC(C)C)c1c(C)noc1C ZINC000160323746 387083838 /nfs/dbraw/zinc/08/38/38/387083838.db2.gz FSRNOAJLIPEFQP-LLVKDONJSA-N 0 0 238.331 2.905 20 70 BFIDRN CC(C)c1noc(N[C@@H]2CCOC(C)(C)C2)n1 ZINC000160716208 387110556 /nfs/dbraw/zinc/11/05/56/387110556.db2.gz PYZIVHSIPLNJPN-SECBINFHSA-N 0 0 239.319 2.563 20 70 BFIDRN Cc1nc(C)c(C)c(N[C@H]2CCOC(C)(C)C2)n1 ZINC000160621467 387112523 /nfs/dbraw/zinc/11/25/23/387112523.db2.gz GTRZKXYITFFVTK-LBPRGKRZSA-N 0 0 249.358 2.771 20 70 BFIDRN CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1CC ZINC000161247723 387167773 /nfs/dbraw/zinc/16/77/73/387167773.db2.gz JBLZJZKMSJUZKG-JHJVBQTASA-N 0 0 241.375 2.839 20 70 BFIDRN CC(C)C[C@@H](C)NC(=O)[C@@H](C)C1CCOCC1 ZINC000161355346 387202976 /nfs/dbraw/zinc/20/29/76/387202976.db2.gz IRFUKOHPFHWMKV-NEPJUHHUSA-N 0 0 241.375 2.600 20 70 BFIDRN Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)ncn1 ZINC000161429037 387209212 /nfs/dbraw/zinc/20/92/12/387209212.db2.gz MFPGTRHSWDZDDI-UHFFFAOYSA-N 0 0 249.358 2.730 20 70 BFIDRN CCn1ccnc1CN(CCC(C)C)C1CC1 ZINC000160759522 387518397 /nfs/dbraw/zinc/51/83/97/387518397.db2.gz SUHVMYYDNGGSTA-UHFFFAOYSA-N 0 0 235.375 2.914 20 70 BFIDRN Cc1ccc(C(=O)NC2(C)CCC2)c(F)c1 ZINC000160017667 388041598 /nfs/dbraw/zinc/04/15/98/388041598.db2.gz YWLHWHGVJOBODH-UHFFFAOYSA-N 0 0 221.275 2.807 20 70 BFIDRN Cc1ccc(CNC(=O)OC(C)C)cc1 ZINC000159718092 388028399 /nfs/dbraw/zinc/02/83/99/388028399.db2.gz YHZSVNLGLBOMSE-UHFFFAOYSA-N 0 0 207.273 2.630 20 70 BFIDRN c1cc(N[C@H]2C=CCCC2)nc(C2CC2)n1 ZINC000160715890 388086058 /nfs/dbraw/zinc/08/60/58/388086058.db2.gz MPVGTVMDIPROLF-NSHDSACASA-N 0 0 215.300 2.875 20 70 BFIDRN c1nc2ccccc2n1Cc1cn2ccccc2n1 ZINC000160807608 388091813 /nfs/dbraw/zinc/09/18/13/388091813.db2.gz CITSHJPULKXTIR-UHFFFAOYSA-N 0 0 248.289 2.732 20 70 BFIDRN Cc1occc1CN(C)Cc1nccn1C(C)C ZINC000160838859 388094312 /nfs/dbraw/zinc/09/43/12/388094312.db2.gz KANZAYOZHCECSU-UHFFFAOYSA-N 0 0 247.342 2.997 20 70 BFIDRN CCC[C@@H](O)CNc1ncc(Cl)cc1Cl ZINC000218001101 388575265 /nfs/dbraw/zinc/57/52/65/388575265.db2.gz TVBFKYCLERYWDM-MRVPVSSYSA-N 0 0 249.141 2.961 20 70 BFIDRN CCC[C@@H](C(=O)OCC)c1ccccn1 ZINC000161257634 133512371 /nfs/dbraw/zinc/51/23/71/133512371.db2.gz SBSHYJDIQDMECK-SNVBAGLBSA-N 0 0 207.273 2.528 20 70 BFIDRN C[C@@H](SC[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000217791973 134250151 /nfs/dbraw/zinc/25/01/51/134250151.db2.gz JBYMPTGKNVFCJV-ZJUUUORDSA-N 0 0 246.372 2.629 20 70 BFIDRN CC[C@H]1CCC[C@H]1NC(=O)CC(F)(F)F ZINC000159524274 134777993 /nfs/dbraw/zinc/77/79/93/134777993.db2.gz DGOHHXCEAOYATC-JGVFFNPUSA-N 0 0 223.238 2.634 20 70 BFIDRN CC[C@H](C)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159916547 134794666 /nfs/dbraw/zinc/79/46/66/134794666.db2.gz LNFHNYJEXGYPFQ-NWDGAFQWSA-N 0 0 239.359 2.641 20 70 BFIDRN CCCC(=O)N[C@H](CC)c1c(C)noc1C ZINC000159942890 134795177 /nfs/dbraw/zinc/79/51/77/134795177.db2.gz GBKTVBOWVILNOH-SNVBAGLBSA-N 0 0 224.304 2.659 20 70 BFIDRN CCCC1(CNC(=O)[C@@H](C)c2cccnc2)CC1 ZINC000160685163 397771676 /nfs/dbraw/zinc/77/16/76/397771676.db2.gz YGCBUXKPCMICLE-LBPRGKRZSA-N 0 0 246.354 2.882 20 70 BFIDRN CCN(CC)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000160970441 397772359 /nfs/dbraw/zinc/77/23/59/397772359.db2.gz POPGYARQJPMEOH-VIFPVBQESA-N 0 0 241.281 2.937 20 70 BFIDRN Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)O)CCCO2 ZINC000160622298 398044802 /nfs/dbraw/zinc/04/48/02/398044802.db2.gz VZGNOFRMYJVBSO-CYBMUJFWSA-N 0 0 249.354 2.569 20 70 BFIDRN CCCC1(CNC(=O)CCc2ccccn2)CC1 ZINC000160676185 487598700 /nfs/dbraw/zinc/59/87/00/487598700.db2.gz AZMIEZGBMYGDMG-UHFFFAOYSA-N 0 0 246.354 2.711 20 70 BFIDRN CC(C)OC(=O)NCc1cccc2cccnc21 ZINC000160713023 167164417 /nfs/dbraw/zinc/16/44/17/167164417.db2.gz VLVJOYYJXORMCC-UHFFFAOYSA-N 0 0 244.294 2.869 20 70 BFIDRN CC1(Nc2ccc(C(F)(F)F)nn2)CCC1 ZINC000161057421 168064850 /nfs/dbraw/zinc/06/48/50/168064850.db2.gz KBBDDRUGLVJMBA-UHFFFAOYSA-N 0 0 231.221 2.850 20 70 BFIDRN Cc1ccc(F)c(C(=O)N2CC=C(C)CC2)c1 ZINC000160194646 168108186 /nfs/dbraw/zinc/10/81/86/168108186.db2.gz SBWNRRWDOXSYFU-UHFFFAOYSA-N 0 0 233.286 2.926 20 70 BFIDRN CC1=CCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000160183635 168108232 /nfs/dbraw/zinc/10/82/32/168108232.db2.gz KVSLOCLOXTXWQQ-UHFFFAOYSA-N 0 0 236.702 2.527 20 70 BFIDRN CC1=CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000160174630 168108421 /nfs/dbraw/zinc/10/84/21/168108421.db2.gz GTDXTLMLUFFOCY-UHFFFAOYSA-N 0 0 219.259 2.618 20 70 BFIDRN CC1CCN(C(=O)N2C[C@@H](C)CC[C@H]2C)CC1 ZINC000160641672 168173732 /nfs/dbraw/zinc/17/37/32/168173732.db2.gz XRFVANVKQREXME-QWHCGFSZSA-N 0 0 238.375 2.959 20 70 BFIDRN CC1(C)CCC(C(=O)Nc2cc[nH]n2)CC1 ZINC000159960972 411407046 /nfs/dbraw/zinc/40/70/46/411407046.db2.gz JPQVMLAGYIKMIW-UHFFFAOYSA-N 0 0 221.304 2.565 20 70 BFIDRN CC[C@@H]1CC[C@@H](C)N1C(=O)NCC(F)(F)F ZINC000161488273 171034125 /nfs/dbraw/zinc/03/41/25/171034125.db2.gz HHBPPBNUYOXTRR-HTQZYQBOSA-N 0 0 238.253 2.521 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(OC)c(N)c1 ZINC000161199028 171721253 /nfs/dbraw/zinc/72/12/53/171721253.db2.gz IKEBSYNSQZQWPQ-IINYFYTJSA-N 0 0 248.326 2.652 20 70 BFIDRN CCc1ccc(NC(=O)N[C@]2(C)CCOC2)cc1 ZINC000159410671 171819647 /nfs/dbraw/zinc/81/96/47/171819647.db2.gz RUXKIQDYBSYYKV-CQSZACIVSA-N 0 0 248.326 2.550 20 70 BFIDRN CCc1ncnc(N[C@@H](C)CC2CC2)c1F ZINC000159728895 172033591 /nfs/dbraw/zinc/03/35/91/172033591.db2.gz NQMSHICDDVGXEZ-QMMMGPOBSA-N 0 0 223.295 2.779 20 70 BFIDRN CCc1noc(C)c1C[S@](=O)c1ccccc1 ZINC000161033335 172081230 /nfs/dbraw/zinc/08/12/30/172081230.db2.gz FLYQYEFGGMKUAN-QGZVFWFLSA-N 0 0 249.335 2.853 20 70 BFIDRN CN(C(=O)CCC1CC1)c1ccc2c(c1)OCO2 ZINC000160261635 172302886 /nfs/dbraw/zinc/30/28/86/172302886.db2.gz VRYPWJIQRTVGGJ-UHFFFAOYSA-N 0 0 247.294 2.568 20 70 BFIDRN CNC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000160506404 173293066 /nfs/dbraw/zinc/29/30/66/173293066.db2.gz ZNLPOFDPVWTEFM-UHFFFAOYSA-N 0 0 248.326 2.897 20 70 BFIDRN COC(=O)C[C@H](C)S[C@@H]1C=CCCC1 ZINC000161243950 173634740 /nfs/dbraw/zinc/63/47/40/173634740.db2.gz ULLKVNUGRXERFM-VHSXEESVSA-N 0 0 214.330 2.780 20 70 BFIDRN COCCN(CCC1CCCC1)CC(F)F ZINC000160554756 174290023 /nfs/dbraw/zinc/29/00/23/174290023.db2.gz PRKBXEMUVLIZEV-UHFFFAOYSA-N 0 0 235.318 2.780 20 70 BFIDRN COc1cccc(C(=O)NCC2(C3CC3)CC2)c1 ZINC000160129139 175244796 /nfs/dbraw/zinc/24/47/96/175244796.db2.gz REMFLYUTWVNXJB-UHFFFAOYSA-N 0 0 245.322 2.615 20 70 BFIDRN COc1cccc(OCc2nccs2)c1 ZINC000161121226 175283920 /nfs/dbraw/zinc/28/39/20/175283920.db2.gz XBOBQBJTGSILRK-UHFFFAOYSA-N 0 0 221.281 2.731 20 70 BFIDRN CCN(C)C(=O)NCC(CC)(CC)SC ZINC000218004170 592151056 /nfs/dbraw/zinc/15/10/56/592151056.db2.gz BZYUGQNQAUQPOL-UHFFFAOYSA-N 0 0 232.393 2.570 20 70 BFIDRN CS[C@@H](C)CNC(=O)N[C@H]1CCCC1(C)C ZINC000159469397 322969970 /nfs/dbraw/zinc/96/99/70/322969970.db2.gz VQBVWMISPOKWJB-UWVGGRQHSA-N 0 0 244.404 2.616 20 70 BFIDRN CC(C)C[C@@H](C)NC(=O)NCC1(C)CCC1 ZINC000159476843 322970287 /nfs/dbraw/zinc/97/02/87/322970287.db2.gz NUIHQGXOXYYVGS-LLVKDONJSA-N 0 0 226.364 2.910 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1ccco1 ZINC000159570846 323037557 /nfs/dbraw/zinc/03/75/57/323037557.db2.gz PEGDNELYGKUGJL-WCQYABFASA-N 0 0 221.300 2.674 20 70 BFIDRN CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159607965 323040228 /nfs/dbraw/zinc/04/02/28/323040228.db2.gz KQIDJGIQFMYOBC-RYUDHWBXSA-N 0 0 239.359 2.593 20 70 BFIDRN CCCCCn1cc(-n2cccc2)cn1 ZINC000159714531 323044683 /nfs/dbraw/zinc/04/46/83/323044683.db2.gz LTKISFRPYIDFBJ-UHFFFAOYSA-N 0 0 203.289 2.864 20 70 BFIDRN CCc1oc(C(=O)Nc2ncccc2O)cc1C ZINC000159725686 323045102 /nfs/dbraw/zinc/04/51/02/323045102.db2.gz GTRPDGDMLAAANG-UHFFFAOYSA-N 0 0 246.266 2.503 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)NCCc1cccs1 ZINC000159786768 323047709 /nfs/dbraw/zinc/04/77/09/323047709.db2.gz BVGASIVVBOGNKZ-WCQYABFASA-N 0 0 237.368 2.843 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000159846195 323050632 /nfs/dbraw/zinc/05/06/32/323050632.db2.gz LAGUAOCPIMIROW-DOMZBBRYSA-N 0 0 249.329 2.921 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)NCCc1ccccc1F ZINC000159846320 323050671 /nfs/dbraw/zinc/05/06/71/323050671.db2.gz LAGUAOCPIMIROW-SWLSCSKDSA-N 0 0 249.329 2.921 20 70 BFIDRN CCn1c2ccccc2nc1NC(=O)C1(C)CC1 ZINC000159897752 323052736 /nfs/dbraw/zinc/05/27/36/323052736.db2.gz WGDBBIYFMDYNIP-UHFFFAOYSA-N 0 0 243.310 2.795 20 70 BFIDRN CNC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 ZINC000160002934 323057530 /nfs/dbraw/zinc/05/75/30/323057530.db2.gz ZIANHUZPQIZVDN-STQMWFEESA-N 0 0 241.375 2.888 20 70 BFIDRN CC(C)C[C@H](C)NC(=O)NC[C@@H]1CCCS1 ZINC000160172722 323062780 /nfs/dbraw/zinc/06/27/80/323062780.db2.gz HKMUHBVRDWENJE-QWRGUYRKSA-N 0 0 244.404 2.616 20 70 BFIDRN O=C(Nc1cccc(OCCF)c1)c1ccc[nH]1 ZINC000160414551 323066196 /nfs/dbraw/zinc/06/61/96/323066196.db2.gz VZIFANUFPUJRSY-UHFFFAOYSA-N 0 0 248.257 2.615 20 70 BFIDRN CC[C@H](C)NC(=O)c1cc(C)c(F)c(C)c1 ZINC000160464396 323067841 /nfs/dbraw/zinc/06/78/41/323067841.db2.gz KMEANRIOTGBSGM-JTQLQIEISA-N 0 0 223.291 2.971 20 70 BFIDRN CCCCCNC(=O)c1cccn1C(C)C ZINC000160469971 323068023 /nfs/dbraw/zinc/06/80/23/323068023.db2.gz ILXZYJVPZYTBOH-UHFFFAOYSA-N 0 0 222.332 2.989 20 70 BFIDRN CC[C@H](C)CN(CC)C(=O)[C@@H]1CC1(C)C ZINC000160599300 323073425 /nfs/dbraw/zinc/07/34/25/323073425.db2.gz DBTCLUOTZMGXBC-QWRGUYRKSA-N 0 0 211.349 2.927 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCC1(C2CC2)CC1 ZINC000159713420 323075238 /nfs/dbraw/zinc/07/52/38/323075238.db2.gz VUZKVVDJYUVORH-YPMHNXCESA-N 0 0 221.344 2.729 20 70 BFIDRN Cn1nccc1CSc1ccc(F)c(F)c1 ZINC000161284891 323075993 /nfs/dbraw/zinc/07/59/93/323075993.db2.gz RJZPDXFHMLMYHK-UHFFFAOYSA-N 0 0 240.278 2.991 20 70 BFIDRN CCCC1(CNC(=O)CCC2CC2)CC1 ZINC000160781849 323135299 /nfs/dbraw/zinc/13/52/99/323135299.db2.gz DJHLAISVXLASJA-UHFFFAOYSA-N 0 0 209.333 2.873 20 70 BFIDRN CN(Cc1ccnn1C)Cc1ccccc1Cl ZINC000160821349 323136357 /nfs/dbraw/zinc/13/63/57/323136357.db2.gz NOGCVKCTZBUVHI-UHFFFAOYSA-N 0 0 249.745 2.706 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)NCc1cccc(F)c1 ZINC000161028869 323143310 /nfs/dbraw/zinc/14/33/10/323143310.db2.gz UDYVJQQVSHITCI-TZMCWYRMSA-N 0 0 235.302 2.878 20 70 BFIDRN CCCOCC(=O)N(C)[C@H]1CCCC[C@@H]1CC ZINC000161192710 323194975 /nfs/dbraw/zinc/19/49/75/323194975.db2.gz FCFCERYQVDAQNU-STQMWFEESA-N 0 0 241.375 2.840 20 70 BFIDRN CS[C@@H](C)CC(=O)NC[C@H]1CC=CCC1 ZINC000161276943 323485475 /nfs/dbraw/zinc/48/54/75/323485475.db2.gz QTCNQKPFWSJECU-QWRGUYRKSA-N 0 0 227.373 2.601 20 70 BFIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCCOC ZINC000161297528 323493513 /nfs/dbraw/zinc/49/35/13/323493513.db2.gz MUMPEKWSXDSTEZ-OLZOCXBDSA-N 0 0 241.375 2.840 20 70 BFIDRN COc1ccccc1C(=O)N1[C@H](C)CC[C@@H]1C ZINC000161397243 323512204 /nfs/dbraw/zinc/51/22/04/323512204.db2.gz LQULLTDDGWUBFL-PHIMTYICSA-N 0 0 233.311 2.708 20 70 BFIDRN CC(C)c1nsc(NC[C@@H]2C[C@@H]2C)n1 ZINC000161410038 323512361 /nfs/dbraw/zinc/51/23/61/323512361.db2.gz JDNBCTUNFDVJKB-YUMQZZPRSA-N 0 0 211.334 2.729 20 70 BFIDRN CC(C)c1nsc(NC[C@H]2C[C@H]2C)n1 ZINC000161409637 323512384 /nfs/dbraw/zinc/51/23/84/323512384.db2.gz JDNBCTUNFDVJKB-HTQZYQBOSA-N 0 0 211.334 2.729 20 70 BFIDRN CCN(C(=O)c1cc(C)ncn1)C1CCCCC1 ZINC000161475465 323524935 /nfs/dbraw/zinc/52/49/35/323524935.db2.gz HNMHNAWQEDWZGN-UHFFFAOYSA-N 0 0 247.342 2.580 20 70 BFIDRN CC(C)N(CC1CC1)C(=O)N1CCC(C)CC1 ZINC000160443243 488133116 /nfs/dbraw/zinc/13/31/16/488133116.db2.gz DEYWMOCGGLFZSF-UHFFFAOYSA-N 0 0 238.375 2.959 20 70 BFIDRN CC[C@H]1CC[C@@H](C)N1C(=O)NC(C)(C)C ZINC000161481560 487500017 /nfs/dbraw/zinc/50/00/17/487500017.db2.gz FONWFLAVDHVTMV-ZJUUUORDSA-N 0 0 212.337 2.757 20 70 BFIDRN CC(C)(NC(=O)c1ccncc1Cl)C1CC1 ZINC000217713707 535243990 /nfs/dbraw/zinc/24/39/90/535243990.db2.gz VPFDRLNJHSLJNN-UHFFFAOYSA-N 0 0 238.718 2.653 20 70 BFIDRN C/C=C(/C)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000217075197 582804661 /nfs/dbraw/zinc/80/46/61/582804661.db2.gz SOCBFHXQOGEBLJ-OQFOIZHKSA-N 0 0 244.246 2.665 20 70 BFIDRN CCc1ncnc(N[C@H](C)Cc2ccco2)c1F ZINC000217969201 592151328 /nfs/dbraw/zinc/15/13/28/592151328.db2.gz VGXOQXHEFQNQDN-SECBINFHSA-N 0 0 249.289 2.814 20 70 BFIDRN CC[C@H](C)OC(=O)c1cc(F)cnc1Cl ZINC000218158371 592152432 /nfs/dbraw/zinc/15/24/32/592152432.db2.gz KUPSROMGVLOBCF-LURJTMIESA-N 0 0 231.654 2.829 20 70 BFIDRN CCC[C@H](C)C(=O)O[C@@H]1CCC[C@@H](OC)C1 ZINC000218534475 592161436 /nfs/dbraw/zinc/16/14/36/592161436.db2.gz LZBJEUICHYDCRD-QJPTWQEYSA-N 0 0 228.332 2.923 20 70 BFIDRN C[C@H](CNc1nc(Cl)cs1)[N@H+](C)C1CC1 ZINC000218687532 592173625 /nfs/dbraw/zinc/17/36/25/592173625.db2.gz IIQMAJCPCGIQES-SSDOTTSWSA-N 0 0 245.779 2.691 20 70 BFIDRN C[C@H](CC(=O)N1CC[C@@H](C)[C@H]1C)c1ccncc1 ZINC000161246522 538915011 /nfs/dbraw/zinc/91/50/11/538915011.db2.gz PANYLVKIKAHCIK-JHJVBQTASA-N 0 0 246.354 2.832 20 70 BFIDRN CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(C)nc1 ZINC000161378356 538915441 /nfs/dbraw/zinc/91/54/41/538915441.db2.gz CXINZUSGWNSKHB-GXSJLCMTSA-N 0 0 235.331 2.946 20 70 BFIDRN O=C(NC1CC=CC1)C1(Cc2ccccc2)CC1 ZINC000160833618 538913018 /nfs/dbraw/zinc/91/30/18/538913018.db2.gz IKVDDRUQPQRWLW-UHFFFAOYSA-N 0 0 241.334 2.844 20 70 BFIDRN CCOc1ccccc1C(=O)NC1CC=CC1 ZINC000160922399 538913346 /nfs/dbraw/zinc/91/33/46/538913346.db2.gz JBWLKPGPVPLKTM-UHFFFAOYSA-N 0 0 231.295 2.534 20 70 BFIDRN O=C(NC1CC=CC1)C1(c2ccccc2F)CC1 ZINC000160972123 538913837 /nfs/dbraw/zinc/91/38/37/538913837.db2.gz ZNAHDCDDIKJZSW-UHFFFAOYSA-N 0 0 245.297 2.692 20 70 BFIDRN O=C(NCCCF)[C@@H]1CCCc2sccc21 ZINC000159410307 136214259 /nfs/dbraw/zinc/21/42/59/136214259.db2.gz OJJYVVUPLLGRKA-SNVBAGLBSA-N 0 0 241.331 2.644 20 70 BFIDRN CCCCO[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1CC ZINC000159589818 136214436 /nfs/dbraw/zinc/21/44/36/136214436.db2.gz IPHRWSWJBWEBTP-AVGNSLFASA-N 0 0 241.375 2.887 20 70 BFIDRN Cc1cc(OCc2csc(C3CC3)n2)nn1C ZINC000159820036 178213442 /nfs/dbraw/zinc/21/34/42/178213442.db2.gz FRKTWNGVFIYFLT-UHFFFAOYSA-N 0 0 249.339 2.641 20 70 BFIDRN CCC(CC)NC(=O)c1ccnc(Cl)c1F ZINC000160799766 168385603 /nfs/dbraw/zinc/38/56/03/168385603.db2.gz VQKNMBCHCBPSRY-UHFFFAOYSA-N 0 0 244.697 2.793 20 70 BFIDRN COc1cccnc1N[C@@H](C)CC1CC1 ZINC000159462907 398309485 /nfs/dbraw/zinc/30/94/85/398309485.db2.gz PYGZGRVKCPSGCG-VIFPVBQESA-N 0 0 206.289 2.691 20 70 BFIDRN CCCCCOCC(=O)N[C@@H]1CCC[C@@H]1CC ZINC000159552123 398342084 /nfs/dbraw/zinc/34/20/84/398342084.db2.gz PTTGDAFVHDHVSS-QWHCGFSZSA-N 0 0 241.375 2.888 20 70 BFIDRN O=C(C(F)F)N1CCC[C@H]1c1cccs1 ZINC000217644173 136278079 /nfs/dbraw/zinc/27/80/79/136278079.db2.gz UZTZYYRFIOCVOG-ZETCQYMHSA-N 0 0 231.267 2.677 20 70 BFIDRN CC[C@@H](C)OCC(=O)Nc1c(F)cccc1F ZINC000160075371 323059873 /nfs/dbraw/zinc/05/98/73/323059873.db2.gz RHMWLGODWXCGNG-MRVPVSSYSA-N 0 0 243.253 2.718 20 70 BFIDRN CC(=O)c1ccc(N2C[C@H](C)C[C@H]2C)nc1 ZINC000161418814 133513963 /nfs/dbraw/zinc/51/39/63/133513963.db2.gz AFZVTGIWDPKMNL-NXEZZACHSA-N 0 0 218.300 2.519 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)NC(C1CC1)C1CC1 ZINC000160658476 323076366 /nfs/dbraw/zinc/07/63/66/323076366.db2.gz CTGOIFJHQOBMJO-RISCZKNCSA-N 0 0 221.344 2.727 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)CCOCC(C)C ZINC000159516235 345440113 /nfs/dbraw/zinc/44/01/13/345440113.db2.gz YDIHASCYKUNACL-CHWSQXEVSA-N 0 0 241.375 2.744 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC000159540621 345441338 /nfs/dbraw/zinc/44/13/38/345441338.db2.gz FFVVPJNIEQMGPO-HOSYDEDBSA-N 0 0 209.333 2.727 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)CSC ZINC000159625872 345449966 /nfs/dbraw/zinc/44/99/66/345449966.db2.gz MKYCPNUOGSBRIT-AXFHLTTASA-N 0 0 229.389 2.680 20 70 BFIDRN FC(F)(F)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159692733 345469648 /nfs/dbraw/zinc/46/96/48/345469648.db2.gz XYROMEXCPKHENX-IUCAKERBSA-N 0 0 207.239 2.813 20 70 BFIDRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C2)cc1 ZINC000159771184 345519111 /nfs/dbraw/zinc/51/91/11/345519111.db2.gz BQAYHAZYJAWOLT-DGCLKSJQSA-N 0 0 217.312 2.913 20 70 BFIDRN CC[C@H](C)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159916784 345649176 /nfs/dbraw/zinc/64/91/76/345649176.db2.gz LNFHNYJEXGYPFQ-RYUDHWBXSA-N 0 0 239.359 2.641 20 70 BFIDRN CC(C)CC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000160169120 345807883 /nfs/dbraw/zinc/80/78/83/345807883.db2.gz JIDDGHWRHXTGEE-LBPRGKRZSA-N 0 0 239.359 2.641 20 70 BFIDRN CCOC(=O)c1ccc(N[C@H](C)C2CCC2)nc1 ZINC000159995331 345775683 /nfs/dbraw/zinc/77/56/83/345775683.db2.gz PTQCBWRGQUTFBH-SNVBAGLBSA-N 0 0 248.326 2.859 20 70 BFIDRN CN(CCOCC1CC1)c1ccccc1F ZINC000160018946 345786380 /nfs/dbraw/zinc/78/63/80/345786380.db2.gz JRUFBXYJZOFAHC-UHFFFAOYSA-N 0 0 223.291 2.689 20 70 BFIDRN CCCCOCCN[C@H](C)c1cscn1 ZINC000161178097 346034869 /nfs/dbraw/zinc/03/48/69/346034869.db2.gz PJDWNAPVDVWXMI-SNVBAGLBSA-N 0 0 228.361 2.610 20 70 BFIDRN COc1cc(C)ccc1NC(=O)[C@H]1CC1(C)C ZINC000159769966 346263168 /nfs/dbraw/zinc/26/31/68/346263168.db2.gz XEQLWYNNJYIHKH-SNVBAGLBSA-N 0 0 233.311 2.988 20 70 BFIDRN Cc1cccc(C)c1CS[C@@H]1CCN(C)C1=O ZINC000161387034 179039027 /nfs/dbraw/zinc/03/90/27/179039027.db2.gz CNHBEFHEEYFJIA-CYBMUJFWSA-N 0 0 249.379 2.767 20 70 BFIDRN COCc1ccc(C(=O)Nc2ccccc2F)o1 ZINC000160247233 346358441 /nfs/dbraw/zinc/35/84/41/346358441.db2.gz NWPQUQSEKQBYLL-UHFFFAOYSA-N 0 0 249.241 2.817 20 70 BFIDRN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)c1cccnc1 ZINC000159832729 346432222 /nfs/dbraw/zinc/43/22/22/346432222.db2.gz USXBNSHDRDOYEA-OUCADQQQSA-N 0 0 246.354 2.880 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(C)nc1 ZINC000159663752 346427331 /nfs/dbraw/zinc/42/73/31/346427331.db2.gz FXSXACQSDZHKPP-KGLIPLIRSA-N 0 0 246.354 2.627 20 70 BFIDRN CC1(C)CCCN1C(=O)c1cccc2nc[nH]c21 ZINC000159687845 346428287 /nfs/dbraw/zinc/42/82/87/346428287.db2.gz WORQICPSWZRSGB-UHFFFAOYSA-N 0 0 243.310 2.578 20 70 BFIDRN CC1(C)C[C@@H]1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000160844818 346466873 /nfs/dbraw/zinc/46/68/73/346466873.db2.gz VUSRYPSSSYXVKX-CHWSQXEVSA-N 0 0 247.313 2.975 20 70 BFIDRN CC(C)CSCCCNC(=O)C1(C)CC1 ZINC000160774207 323134786 /nfs/dbraw/zinc/13/47/86/323134786.db2.gz GHMXJFNJOPBUNM-UHFFFAOYSA-N 0 0 229.389 2.682 20 70 BFIDRN CN(Cc1ccncc1)c1ccccc1F ZINC000161139550 323148953 /nfs/dbraw/zinc/14/89/53/323148953.db2.gz LYNLYWDTNXIJPJ-UHFFFAOYSA-N 0 0 216.259 2.857 20 70 BFIDRN Cc1ccccc1NCc1nnc2n1CCCC2 ZINC000217317772 179305983 /nfs/dbraw/zinc/30/59/83/179305983.db2.gz XRHHMCKIWWRDJK-UHFFFAOYSA-N 0 0 242.326 2.535 20 70 BFIDRN CCC(CC)CC(=O)N(C)Cc1cccn1C ZINC000160422843 348200652 /nfs/dbraw/zinc/20/06/52/348200652.db2.gz NRDZIYMCQXOEFK-UHFFFAOYSA-N 0 0 236.359 2.810 20 70 BFIDRN C[C@@H]1CC[C@H](CC(=O)N(C)Cc2cccn2C)C1 ZINC000160504850 348955463 /nfs/dbraw/zinc/95/54/63/348955463.db2.gz WCRRFZFPLDFPRD-OLZOCXBDSA-N 0 0 248.370 2.810 20 70 BFIDRN C[C@@H]1CC[C@@H](CC(=O)N(C)Cc2cccn2C)C1 ZINC000160505112 348956520 /nfs/dbraw/zinc/95/65/20/348956520.db2.gz WCRRFZFPLDFPRD-CHWSQXEVSA-N 0 0 248.370 2.810 20 70 BFIDRN CC1CCN(C(=O)N(C)CC2CCCC2)CC1 ZINC000160575857 349249228 /nfs/dbraw/zinc/24/92/28/349249228.db2.gz FTSBYZIPGPQAMI-UHFFFAOYSA-N 0 0 238.375 2.960 20 70 BFIDRN CNc1ccccc1C(=O)N1CC[C@H](C(C)C)C1 ZINC000160954969 349343162 /nfs/dbraw/zinc/34/31/62/349343162.db2.gz XNLLQOIVCKNWFP-LBPRGKRZSA-N 0 0 246.354 2.846 20 70 BFIDRN CCOC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000217678917 350068683 /nfs/dbraw/zinc/06/86/83/350068683.db2.gz ODBHUFHGOFVDOE-NXEZZACHSA-N 0 0 226.222 2.631 20 70 BFIDRN C[C@@H](Sc1nc(C(C)(C)C)ns1)[C@H](C)O ZINC000159757071 350353721 /nfs/dbraw/zinc/35/37/21/350353721.db2.gz AJBRKFFGSGQHSQ-NKWVEPMBSA-N 0 0 246.401 2.697 20 70 BFIDRN Cc1noc(-c2cc(C)c(F)c(C)c2)n1 ZINC000160867132 350867550 /nfs/dbraw/zinc/86/75/50/350867550.db2.gz VBMSUMKIARUNKZ-UHFFFAOYSA-N 0 0 206.220 2.801 20 70 BFIDRN Cc1noc(-c2cc(F)c(Cl)cc2F)n1 ZINC000160866193 350867559 /nfs/dbraw/zinc/86/75/59/350867559.db2.gz FNUHQAXFUIOIIG-UHFFFAOYSA-N 0 0 230.601 2.977 20 70 BFIDRN CC(C)N(C(=O)[C@@H]1CCCCO1)C1CCCC1 ZINC000160859730 350865069 /nfs/dbraw/zinc/86/50/69/350865069.db2.gz KIACNMUPWJNPBE-ZDUSSCGKSA-N 0 0 239.359 2.735 20 70 BFIDRN CC(=O)NC1CCC(Nc2ccccc2C)CC1 ZINC000161076941 188159187 /nfs/dbraw/zinc/15/91/87/188159187.db2.gz QALZTRBORCDTPQ-UHFFFAOYSA-N 0 0 246.354 2.854 20 70 BFIDRN Cc1cc(C)cc(CS[C@@H](C)CO)c1 ZINC000160758700 188178429 /nfs/dbraw/zinc/17/84/29/188178429.db2.gz ZUAKRNNFTKRGOT-NSHDSACASA-N 0 0 210.342 2.917 20 70 BFIDRN CC1(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000160258263 355765981 /nfs/dbraw/zinc/76/59/81/355765981.db2.gz AVLVWVDCOPIFFA-GFCCVEGCSA-N 0 0 215.296 2.590 20 70 BFIDRN CCC(CC)CNC(=O)N(C)[C@H](C)CC ZINC000160570572 357073227 /nfs/dbraw/zinc/07/32/27/357073227.db2.gz ZNGDVZLHZYRFTB-SNVBAGLBSA-N 0 0 214.353 2.863 20 70 BFIDRN CCn1ccnc1CN(C)Cc1ccccc1 ZINC000160669997 357166101 /nfs/dbraw/zinc/16/61/01/357166101.db2.gz YXVJRSDCAFUJEP-UHFFFAOYSA-N 0 0 229.327 2.535 20 70 BFIDRN CCC(C)(CC)C(=O)NCC[C@H]1CCCCO1 ZINC000159462506 538877366 /nfs/dbraw/zinc/87/73/66/538877366.db2.gz KWDAUCAZETYKQE-GFCCVEGCSA-N 0 0 241.375 2.888 20 70 BFIDRN CCc1ncc(NC(=O)C(C)(CC)CC)cn1 ZINC000159499746 538877749 /nfs/dbraw/zinc/87/77/49/538877749.db2.gz XCXJMWSWZNKJLR-UHFFFAOYSA-N 0 0 235.331 2.804 20 70 BFIDRN CCc1ncnc(NCCC2CCC2)c1F ZINC000218066017 134251553 /nfs/dbraw/zinc/25/15/53/134251553.db2.gz YKFMZPMOWIAJFB-UHFFFAOYSA-N 0 0 223.295 2.780 20 70 BFIDRN CC1(C(=O)N2CCc3c(F)cccc3C2)CC1 ZINC000160889012 358989833 /nfs/dbraw/zinc/98/98/33/358989833.db2.gz LBENKNXTRNLQIA-UHFFFAOYSA-N 0 0 233.286 2.511 20 70 BFIDRN Cc1occc1C(=O)N[C@H]1CC[C@@H](C)C1 ZINC000159769651 361289026 /nfs/dbraw/zinc/28/90/26/361289026.db2.gz KZZCDBFKPGNPCB-SCZZXKLOSA-N 0 0 207.273 2.506 20 70 BFIDRN O=C(NCC1(C2CC2)CC1)c1cccc(F)c1 ZINC000160081708 182128091 /nfs/dbraw/zinc/12/80/91/182128091.db2.gz BJLCKONLNZJSBI-UHFFFAOYSA-N 0 0 233.286 2.746 20 70 BFIDRN O=C(N[C@@H]1CCCc2sccc21)c1ccc[nH]1 ZINC000159890813 182302226 /nfs/dbraw/zinc/30/22/26/182302226.db2.gz QAWIVYZIRIGXIH-SNVBAGLBSA-N 0 0 246.335 2.884 20 70 BFIDRN O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccoc1 ZINC000160074487 182337536 /nfs/dbraw/zinc/33/75/36/182337536.db2.gz BSEGHOVQOKPWON-LBPRGKRZSA-N 0 0 249.310 2.501 20 70 BFIDRN O=C(Nc1cc(Cl)ccn1)NC1CCCC1 ZINC000217584805 182348661 /nfs/dbraw/zinc/34/86/61/182348661.db2.gz NWKREXHTWLXEML-UHFFFAOYSA-N 0 0 239.706 2.799 20 70 BFIDRN CCCN(CC1CC1)C(=O)N1CCC(C)CC1 ZINC000160402457 169134658 /nfs/dbraw/zinc/13/46/58/169134658.db2.gz TZRCKBMRDKYCKL-UHFFFAOYSA-N 0 0 238.375 2.960 20 70 BFIDRN CCCNC(=O)[C@H](C)c1c(F)cccc1F ZINC000160945467 169247378 /nfs/dbraw/zinc/24/73/78/169247378.db2.gz UMWHSWIZTCDAEQ-MRVPVSSYSA-N 0 0 227.254 2.595 20 70 BFIDRN COCCCN(C)C(=O)C1CCC(C)(C)CC1 ZINC000159409731 384068607 /nfs/dbraw/zinc/06/86/07/384068607.db2.gz SRRAQBKUNWMOFE-UHFFFAOYSA-N 0 0 241.375 2.698 20 70 BFIDRN Cc1ccc(C)c(OC(=O)[C@@H]2CCCCO2)c1 ZINC000159506681 384335989 /nfs/dbraw/zinc/33/59/89/384335989.db2.gz XMVWZXMOGXFXGW-LBPRGKRZSA-N 0 0 234.295 2.778 20 70 BFIDRN c1nc2c(n1CCOc1ccccc1)CCCC2 ZINC000159727152 384352394 /nfs/dbraw/zinc/35/23/94/384352394.db2.gz AFEFDEIQCKQFPK-UHFFFAOYSA-N 0 0 242.322 2.841 20 70 BFIDRN CCN(C(=O)c1ccc(Cl)nc1C)C(C)C ZINC000159904169 384369559 /nfs/dbraw/zinc/36/95/59/384369559.db2.gz TXSHODUNOMEVJC-UHFFFAOYSA-N 0 0 240.734 2.914 20 70 BFIDRN CCOc1ccccc1N(C)CCCF ZINC000159380362 384326027 /nfs/dbraw/zinc/32/60/27/384326027.db2.gz CYANUVRTRVPORW-UHFFFAOYSA-N 0 0 211.280 2.881 20 70 BFIDRN O=C(CCc1ccccc1)NCC1(C2CC2)CC1 ZINC000159932220 384372989 /nfs/dbraw/zinc/37/29/89/384372989.db2.gz LQJIHZQPRBZKHR-UHFFFAOYSA-N 0 0 243.350 2.926 20 70 BFIDRN CCOc1ccccc1N(C)CCCOC ZINC000159408302 384327954 /nfs/dbraw/zinc/32/79/54/384327954.db2.gz RXVKCTLRKITVES-UHFFFAOYSA-N 0 0 223.316 2.558 20 70 BFIDRN CCC[C@H](C)C(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160295470 384399013 /nfs/dbraw/zinc/39/90/13/384399013.db2.gz CJPLBEPMYBQRSN-JTQLQIEISA-N 0 0 249.310 2.814 20 70 BFIDRN Cc1nc(C)c(C(=O)NCCC2=CCCC2)o1 ZINC000160295795 384401104 /nfs/dbraw/zinc/40/11/04/384401104.db2.gz NTMKTQLNLNCQPF-UHFFFAOYSA-N 0 0 234.299 2.522 20 70 BFIDRN CN(Cc1ccco1)C(=O)N1CCCCCC1 ZINC000160357107 384403780 /nfs/dbraw/zinc/40/37/80/384403780.db2.gz DJSOTXMJCPCJMB-UHFFFAOYSA-N 0 0 236.315 2.707 20 70 BFIDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC1CC1 ZINC000160464350 384415893 /nfs/dbraw/zinc/41/58/93/384415893.db2.gz AHBKJRWFRDDBQT-QWRGUYRKSA-N 0 0 235.352 2.686 20 70 BFIDRN C[C@@H](C(=O)N1CCCC1)c1c(F)cccc1F ZINC000160604789 384421979 /nfs/dbraw/zinc/42/19/79/384421979.db2.gz JHMIXPKMNIHJPT-SECBINFHSA-N 0 0 239.265 2.691 20 70 BFIDRN CNc1ccccc1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000160060799 384381715 /nfs/dbraw/zinc/38/17/15/384381715.db2.gz IIGGEJRNCCILMK-VXGBXAGGSA-N 0 0 244.338 2.600 20 70 BFIDRN Cc1cnn(Cc2noc(C3CCCCC3)n2)c1 ZINC000160888818 384444220 /nfs/dbraw/zinc/44/42/20/384444220.db2.gz IFXXOCHDGADDBK-UHFFFAOYSA-N 0 0 246.314 2.671 20 70 BFIDRN CS[C@H](C)CC(=O)N(C)Cc1ccoc1C ZINC000160937118 384449159 /nfs/dbraw/zinc/44/91/59/384449159.db2.gz MWHRLDVLJATIMG-SECBINFHSA-N 0 0 241.356 2.688 20 70 BFIDRN CCc1ccc(CS[C@H](C)CO)cc1 ZINC000160702116 384451288 /nfs/dbraw/zinc/45/12/88/384451288.db2.gz AITLJMQJOOLFFO-SNVBAGLBSA-N 0 0 210.342 2.863 20 70 BFIDRN CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CC1(C)C ZINC000160746858 384433393 /nfs/dbraw/zinc/43/33/93/384433393.db2.gz PRJHNBQRHRRSJA-ZDUSSCGKSA-N 0 0 249.329 2.873 20 70 BFIDRN O=C(CCC1CCCC1)NOCc1cccnc1 ZINC000160868662 384442107 /nfs/dbraw/zinc/44/21/07/384442107.db2.gz GCZDHULKLRHZSW-UHFFFAOYSA-N 0 0 248.326 2.600 20 70 BFIDRN COCc1noc(-c2cc(C)c(F)c(C)c2)n1 ZINC000160855949 384443213 /nfs/dbraw/zinc/44/32/13/384443213.db2.gz BMPISQOGKQXBKM-UHFFFAOYSA-N 0 0 236.246 2.639 20 70 BFIDRN CC(C)c1cc(=O)n(Cc2cccc(F)c2)cn1 ZINC000160859756 384443241 /nfs/dbraw/zinc/44/32/41/384443241.db2.gz AJBUPXLZUXCXAF-UHFFFAOYSA-N 0 0 246.285 2.554 20 70 BFIDRN CC(C)(C)NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000161096995 384464599 /nfs/dbraw/zinc/46/45/99/384464599.db2.gz SBPOOSHXIUNNAS-UHFFFAOYSA-N 0 0 246.232 2.629 20 70 BFIDRN CC(C)CCNC(=O)c1cccn1C(C)C ZINC000161383270 384485805 /nfs/dbraw/zinc/48/58/05/384485805.db2.gz YPSTWWRQYYQLDU-UHFFFAOYSA-N 0 0 222.332 2.845 20 70 BFIDRN CN(Cc1csc(C2CC2)n1)CC1CC1 ZINC000161429590 384487290 /nfs/dbraw/zinc/48/72/90/384487290.db2.gz ICSPHKMLNFBUOD-UHFFFAOYSA-N 0 0 222.357 2.862 20 70 BFIDRN CSCCCn1nc(C2CC2)nc1C1CC1 ZINC000161460549 384490677 /nfs/dbraw/zinc/49/06/77/384490677.db2.gz XYLBCJBDHSXDSC-UHFFFAOYSA-N 0 0 237.372 2.786 20 70 BFIDRN CCC[C@H]1CCCN(C(=O)c2ccc(N)cc2)C1 ZINC000161444970 384491068 /nfs/dbraw/zinc/49/10/68/384491068.db2.gz CKIJUFVMWFRXJE-LBPRGKRZSA-N 0 0 246.354 2.921 20 70 BFIDRN CCCCCNC(=O)C1(CCOCC)CCC1 ZINC000161096794 385192068 /nfs/dbraw/zinc/19/20/68/385192068.db2.gz IPINMOCWEUPDRG-UHFFFAOYSA-N 0 0 241.375 2.890 20 70 BFIDRN COCCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160281126 385233075 /nfs/dbraw/zinc/23/30/75/385233075.db2.gz AMNQGGMJCOCXRT-AWEZNQCLSA-N 0 0 234.343 2.563 20 70 BFIDRN CC(C)(C)NC(=O)Nc1cc(Cl)ccn1 ZINC000217313535 385881002 /nfs/dbraw/zinc/88/10/02/385881002.db2.gz GELKLBYTFYISFE-UHFFFAOYSA-N 0 0 227.695 2.655 20 70 BFIDRN CC[C@H](C)c1ccc(OCC(=O)N(C)C)cc1 ZINC000217341080 385881799 /nfs/dbraw/zinc/88/17/99/385881799.db2.gz PDNZISQYHFIRNH-NSHDSACASA-N 0 0 235.327 2.667 20 70 BFIDRN CCN(C)C(=O)N(C)[C@H](C)c1ccccc1F ZINC000160541604 387105677 /nfs/dbraw/zinc/10/56/77/387105677.db2.gz MVNAUHQSUJXKRF-SNVBAGLBSA-N 0 0 238.306 2.890 20 70 BFIDRN COc1cccc(C(=O)N2[C@H](C)CC[C@@H]2C)c1 ZINC000161457774 387218702 /nfs/dbraw/zinc/21/87/02/387218702.db2.gz DGOKXBGUAPJFCP-PHIMTYICSA-N 0 0 233.311 2.708 20 70 BFIDRN CSC[C@@H](C)Nc1nc2ccccc2[nH]1 ZINC000160552225 388074764 /nfs/dbraw/zinc/07/47/64/388074764.db2.gz NWRSETBBZUBFBU-MRVPVSSYSA-N 0 0 221.329 2.726 20 70 BFIDRN CCCc1csc(NCCCOCC)n1 ZINC000160640866 388079791 /nfs/dbraw/zinc/07/97/91/388079791.db2.gz MUVFUQUZUVPECU-UHFFFAOYSA-N 0 0 228.361 2.934 20 70 BFIDRN CCOc1ccccc1CS[C@@H](C)CO ZINC000160731234 388085988 /nfs/dbraw/zinc/08/59/88/388085988.db2.gz OPYNNXRKSXKYGR-JTQLQIEISA-N 0 0 226.341 2.699 20 70 BFIDRN c1cc(N[C@@H]2C=CCCC2)nc(C2CC2)n1 ZINC000160716014 388086195 /nfs/dbraw/zinc/08/61/95/388086195.db2.gz MPVGTVMDIPROLF-LLVKDONJSA-N 0 0 215.300 2.875 20 70 BFIDRN C[C@H](CO)SCc1ccccc1Cl ZINC000160746111 388087002 /nfs/dbraw/zinc/08/70/02/388087002.db2.gz LIDMJWBRZWKKAD-MRVPVSSYSA-N 0 0 216.733 2.954 20 70 BFIDRN C[C@@H](CO)SCc1ccccc1Cl ZINC000160745986 388087026 /nfs/dbraw/zinc/08/70/26/388087026.db2.gz LIDMJWBRZWKKAD-QMMMGPOBSA-N 0 0 216.733 2.954 20 70 BFIDRN C[C@H](NC(=O)C(F)F)c1ccc(Cl)cc1 ZINC000217632866 388571058 /nfs/dbraw/zinc/57/10/58/388571058.db2.gz NGCKOBMWOADHEF-LURJTMIESA-N 0 0 233.645 2.782 20 70 BFIDRN C[C@@H](NC(=O)C(F)F)c1cccc(Cl)c1 ZINC000217622686 388571404 /nfs/dbraw/zinc/57/14/04/388571404.db2.gz OEEIRDWXFNFMNL-ZCFIWIBFSA-N 0 0 233.645 2.782 20 70 BFIDRN C[C@H]1CCC[C@@H](CNc2cnccn2)C1 ZINC000217920599 134250871 /nfs/dbraw/zinc/25/08/71/134250871.db2.gz OFJOZDFYSZYEJW-WDEREUQCSA-N 0 0 205.305 2.715 20 70 BFIDRN CCc1ncnc(NCC2(C3CC3)CC2)c1F ZINC000218077940 134251692 /nfs/dbraw/zinc/25/16/92/134251692.db2.gz AQGMBMVEQHEWKJ-UHFFFAOYSA-N 0 0 235.306 2.780 20 70 BFIDRN Cc1nc(NC(=O)C2(C)CCC2)cc(C2CC2)n1 ZINC000159901958 134793924 /nfs/dbraw/zinc/79/39/24/134793924.db2.gz UNYYMPIEVSSNHC-UHFFFAOYSA-N 0 0 245.326 2.791 20 70 BFIDRN CC[C@@H](C)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159916652 134794439 /nfs/dbraw/zinc/79/44/39/134794439.db2.gz LNFHNYJEXGYPFQ-NEPJUHHUSA-N 0 0 239.359 2.641 20 70 BFIDRN COc1cc(NCc2ccnc(C)n2)ccc1F ZINC000160133927 134800264 /nfs/dbraw/zinc/80/02/64/134800264.db2.gz OTCHVSASYGQCNC-UHFFFAOYSA-N 0 0 247.273 2.545 20 70 BFIDRN COc1ccc(CN(C)C(=O)OC(C)C)cc1 ZINC000160387116 397770140 /nfs/dbraw/zinc/77/01/40/397770140.db2.gz HUMPPMBDBIKWLZ-UHFFFAOYSA-N 0 0 237.299 2.672 20 70 BFIDRN CCN(CC)C(=O)c1cccn1C(C)C ZINC000160968502 397772541 /nfs/dbraw/zinc/77/25/41/397772541.db2.gz OPTITKBRXGQUQO-UHFFFAOYSA-N 0 0 208.305 2.551 20 70 BFIDRN CCCn1nccc1CNc1cccnc1C ZINC000160172465 487595792 /nfs/dbraw/zinc/59/57/92/487595792.db2.gz NXYOCAGMPQPFOI-UHFFFAOYSA-N 0 0 230.315 2.609 20 70 BFIDRN CCC[C@H](C)NC(=O)c1ccc(OC)cc1F ZINC000218445250 411187929 /nfs/dbraw/zinc/18/79/29/411187929.db2.gz HYZWLSYJPANJDQ-VIFPVBQESA-N 0 0 239.290 2.753 20 70 BFIDRN CC1(C)C[C@@H]1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000160845072 167984712 /nfs/dbraw/zinc/98/47/12/167984712.db2.gz VUSRYPSSSYXVKX-OLZOCXBDSA-N 0 0 247.313 2.975 20 70 BFIDRN CC1=CCN(C(=O)c2cccs2)CC1 ZINC000160171346 168110394 /nfs/dbraw/zinc/11/03/94/168110394.db2.gz QTTVKWOXRPWJAO-UHFFFAOYSA-N 0 0 207.298 2.540 20 70 BFIDRN CC(C)[C@@H]1CCCN1C(=O)N1CCC(C)CC1 ZINC000160645734 168173699 /nfs/dbraw/zinc/17/36/99/168173699.db2.gz RJBHVDBYQUWQNL-ZDUSSCGKSA-N 0 0 238.375 2.959 20 70 BFIDRN CCOC(C)(C)CNc1cc(CC)nc(C)n1 ZINC000159516342 170313849 /nfs/dbraw/zinc/31/38/49/170313849.db2.gz ZEUGCXJGKQXPCG-UHFFFAOYSA-N 0 0 237.347 2.574 20 70 BFIDRN CCOc1ccccc1N(C)Cc1ccon1 ZINC000159379237 170594370 /nfs/dbraw/zinc/59/43/70/170594370.db2.gz WSNRGZHRHVWCPA-UHFFFAOYSA-N 0 0 232.283 2.710 20 70 BFIDRN CC[C@@H](C)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000159796030 170676438 /nfs/dbraw/zinc/67/64/38/170676438.db2.gz WCHHPIJRDGFKBT-SECBINFHSA-N 0 0 239.290 2.843 20 70 BFIDRN CC[C@@H]1CCN(C(=O)c2ccccc2NC)C1 ZINC000160956788 171008807 /nfs/dbraw/zinc/00/88/07/171008807.db2.gz POWRESVZDAQGEQ-LLVKDONJSA-N 0 0 232.327 2.600 20 70 BFIDRN CC[C@H](C)OCC(=O)N(C)c1ccc(F)cc1 ZINC000159650875 171352465 /nfs/dbraw/zinc/35/24/65/171352465.db2.gz BCFUZHGBWYELKR-JTQLQIEISA-N 0 0 239.290 2.604 20 70 BFIDRN CC[C@H](C)[C@H](C)C(=O)Nc1cccc(F)n1 ZINC000160824130 171385222 /nfs/dbraw/zinc/38/52/22/171385222.db2.gz NVXJMCUMBYCXAM-IUCAKERBSA-N 0 0 224.279 2.841 20 70 BFIDRN CC[C@H](SC)c1nc(-c2ccncc2)no1 ZINC000161337659 171594479 /nfs/dbraw/zinc/59/44/79/171594479.db2.gz ARALEDLLHHBBKP-VIFPVBQESA-N 0 0 235.312 2.946 20 70 BFIDRN COc1cc(NCC[C@H]2CCCO2)ccc1F ZINC000160248004 175002767 /nfs/dbraw/zinc/00/27/67/175002767.db2.gz SGVGCHDOOYFQMU-LLVKDONJSA-N 0 0 239.290 2.815 20 70 BFIDRN COc1cc(N[C@@H](C)[C@H]2CCOC2)ccc1F ZINC000160107019 175003593 /nfs/dbraw/zinc/00/35/93/175003593.db2.gz NSYZMPQHUHNNOZ-UWVGGRQHSA-N 0 0 239.290 2.671 20 70 BFIDRN COc1cc(N[C@@H](C)c2cnccn2)ccc1F ZINC000160086056 175004321 /nfs/dbraw/zinc/00/43/21/175004321.db2.gz UBOQWSQFGMWEEF-VIFPVBQESA-N 0 0 247.273 2.797 20 70 BFIDRN COc1ccccc1OCc1nccs1 ZINC000161113515 175341348 /nfs/dbraw/zinc/34/13/48/175341348.db2.gz DVNBKCNTTYKJFF-UHFFFAOYSA-N 0 0 221.281 2.731 20 70 BFIDRN CS[C@H](C)CC(=O)NCc1ccc(C)s1 ZINC000159932074 175558284 /nfs/dbraw/zinc/55/82/84/175558284.db2.gz NKBGDDFLBHOMDK-SECBINFHSA-N 0 0 243.397 2.814 20 70 BFIDRN CS[C@H]1CCCCN(C(=O)NCC(C)C)C1 ZINC000161128059 175566864 /nfs/dbraw/zinc/56/68/64/175566864.db2.gz GAHPSBJICOJUPH-NSHDSACASA-N 0 0 244.404 2.570 20 70 BFIDRN C[C@H]1CC[C@@H](CC(=O)Nc2cccc(F)n2)C1 ZINC000160915390 177188508 /nfs/dbraw/zinc/18/85/08/177188508.db2.gz JBBAAENNWSGUOW-VHSXEESVSA-N 0 0 236.290 2.986 20 70 BFIDRN C[C@H]1CC[C@H](CC(=O)Nc2cccc(F)n2)C1 ZINC000160915210 177200966 /nfs/dbraw/zinc/20/09/66/177200966.db2.gz JBBAAENNWSGUOW-UWVGGRQHSA-N 0 0 236.290 2.986 20 70 BFIDRN CS[C@H](C)CNC(=O)N[C@H]1CCCC1(C)C ZINC000159469529 322969967 /nfs/dbraw/zinc/96/99/67/322969967.db2.gz VQBVWMISPOKWJB-ZJUUUORDSA-N 0 0 244.404 2.616 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1ccco1 ZINC000159570574 323037479 /nfs/dbraw/zinc/03/74/79/323037479.db2.gz PEGDNELYGKUGJL-DGCLKSJQSA-N 0 0 221.300 2.674 20 70 BFIDRN CCO[C@@H](CCNC(=O)[C@@H]1CC1(C)C)C(C)C ZINC000159652330 323042224 /nfs/dbraw/zinc/04/22/24/323042224.db2.gz XDTSFWIYHZYGDS-RYUDHWBXSA-N 0 0 241.375 2.600 20 70 BFIDRN CCCCCN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000159709704 323044451 /nfs/dbraw/zinc/04/44/51/323044451.db2.gz ZDYIYDCQHGOZJL-CQSZACIVSA-N 0 0 239.359 2.988 20 70 BFIDRN CC[C@@H](c1ccncc1)N(C)C(=O)N(CC)CC ZINC000159741107 323046019 /nfs/dbraw/zinc/04/60/19/323046019.db2.gz UPZDIKRYCSJLOT-ZDUSSCGKSA-N 0 0 249.358 2.926 20 70 BFIDRN CCCC[C@H](CC)CC(=O)NC[C@@H](O)C(C)C ZINC000159747328 323046684 /nfs/dbraw/zinc/04/66/84/323046684.db2.gz ORZARKQJJZWWLH-QWHCGFSZSA-N 0 0 243.391 2.726 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)c1ccoc1C ZINC000159781941 323047562 /nfs/dbraw/zinc/04/75/62/323047562.db2.gz MPQLBPAWMMKUEY-JQWIXIFHSA-N 0 0 221.300 2.897 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)NCCc1ccccc1F ZINC000159846450 323050624 /nfs/dbraw/zinc/05/06/24/323050624.db2.gz LAGUAOCPIMIROW-WFASDCNBSA-N 0 0 249.329 2.921 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(C)ccn1 ZINC000159875169 323051446 /nfs/dbraw/zinc/05/14/46/323051446.db2.gz XTDZZCJUODNGCJ-GWCFXTLKSA-N 0 0 218.300 2.765 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(C)n1 ZINC000159881143 323051799 /nfs/dbraw/zinc/05/17/99/323051799.db2.gz FQWVYAVSBSXJKY-MFKMUULPSA-N 0 0 218.300 2.765 20 70 BFIDRN COCc1ccc(C(=O)Nc2ccccc2)o1 ZINC000160034607 323058146 /nfs/dbraw/zinc/05/81/46/323058146.db2.gz QQKASPUXZDWIIV-UHFFFAOYSA-N 0 0 231.251 2.678 20 70 BFIDRN Cc1ccccc1OCCN(C)C(=O)C1(C)CC1 ZINC000160082594 323060360 /nfs/dbraw/zinc/06/03/60/323060360.db2.gz GYLVINASVPKTLX-UHFFFAOYSA-N 0 0 247.338 2.632 20 70 BFIDRN C[C@H]1CCC[C@@H](OCCCCCC(N)=O)C1 ZINC000160165589 323062576 /nfs/dbraw/zinc/06/25/76/323062576.db2.gz KXJAOPSDIFROEX-NWDGAFQWSA-N 0 0 227.348 2.627 20 70 BFIDRN C[C@@H]1CCC[C@H](OCCCCCC(N)=O)C1 ZINC000160165218 323062580 /nfs/dbraw/zinc/06/25/80/323062580.db2.gz KXJAOPSDIFROEX-NEPJUHHUSA-N 0 0 227.348 2.627 20 70 BFIDRN COc1cccc2c1CC[C@H]2NC(=O)C(C)(C)C ZINC000160196435 323062936 /nfs/dbraw/zinc/06/29/36/323062936.db2.gz QEBYNYXFCUUZPU-GFCCVEGCSA-N 0 0 247.338 2.845 20 70 BFIDRN O=C(Nc1cccc(OCCF)c1)c1cc[nH]c1 ZINC000160563524 323071981 /nfs/dbraw/zinc/07/19/81/323071981.db2.gz DWQBKORDYWLIBJ-UHFFFAOYSA-N 0 0 248.257 2.615 20 70 BFIDRN CC[C@H](C)OCC(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000160779761 323134732 /nfs/dbraw/zinc/13/47/32/323134732.db2.gz LOTXFDJSRQVYOX-RWMBFGLXSA-N 0 0 241.375 2.744 20 70 BFIDRN CCCCn1ncc(C(=O)N(CC)C2CC2)c1C ZINC000160852147 323137000 /nfs/dbraw/zinc/13/70/00/323137000.db2.gz YVFMTPWZRAQOMN-UHFFFAOYSA-N 0 0 249.358 2.616 20 70 BFIDRN Cc1ccccc1CSCc1nncn1C ZINC000160932780 323139423 /nfs/dbraw/zinc/13/94/23/323139423.db2.gz OPZHGBRCNWSRJH-UHFFFAOYSA-N 0 0 233.340 2.557 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)NCc1cccc(F)c1 ZINC000161029125 323143237 /nfs/dbraw/zinc/14/32/37/323143237.db2.gz UDYVJQQVSHITCI-GXTWGEPZSA-N 0 0 235.302 2.878 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCc1cccc(F)c1 ZINC000161029027 323143250 /nfs/dbraw/zinc/14/32/50/323143250.db2.gz UDYVJQQVSHITCI-OCCSQVGLSA-N 0 0 235.302 2.878 20 70 BFIDRN CN(Cc1ccnn1C)Cc1cccc(Cl)c1 ZINC000161132461 323148900 /nfs/dbraw/zinc/14/89/00/323148900.db2.gz IBQQCBQYXCOCLX-UHFFFAOYSA-N 0 0 249.745 2.706 20 70 BFIDRN CCOCCC(=O)N(C)[C@H]1CCCC[C@H]1CC ZINC000161241759 323477075 /nfs/dbraw/zinc/47/70/75/323477075.db2.gz KRCMMVULYGQYOI-OLZOCXBDSA-N 0 0 241.375 2.840 20 70 BFIDRN Cn1nccc1CSc1cccs1 ZINC000161341602 323495269 /nfs/dbraw/zinc/49/52/69/323495269.db2.gz OZHUJFQBWRHUFD-UHFFFAOYSA-N 0 0 210.327 2.774 20 70 BFIDRN COC(=O)c1ccc(NC[C@@H]2CC2(C)C)nc1C ZINC000218016558 324056384 /nfs/dbraw/zinc/05/63/84/324056384.db2.gz QBCOYVBQZWLVQI-JTQLQIEISA-N 0 0 248.326 2.635 20 70 BFIDRN CCCc1nc(CN2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159707625 488077379 /nfs/dbraw/zinc/07/73/79/488077379.db2.gz QFCCYIVSDOMMMS-RYUDHWBXSA-N 0 0 249.358 2.787 20 70 BFIDRN Cc1cc(F)c(C(=O)N[C@H](C)C2CC2)cc1F ZINC000160106974 488107336 /nfs/dbraw/zinc/10/73/36/488107336.db2.gz WATIBOGGBMQMHW-MRVPVSSYSA-N 0 0 239.265 2.802 20 70 BFIDRN CCCn1nccc1CNc1ccc(C)nc1 ZINC000160186039 488113886 /nfs/dbraw/zinc/11/38/86/488113886.db2.gz YOBPKSMTCBNLLF-UHFFFAOYSA-N 0 0 230.315 2.609 20 70 BFIDRN COc1ccccc1CCNc1cccc(F)n1 ZINC000218112178 537039874 /nfs/dbraw/zinc/03/98/74/537039874.db2.gz VSULKHFIPZVAGD-UHFFFAOYSA-N 0 0 246.285 2.884 20 70 BFIDRN O=C(NC1CC=CC1)c1ccc2ncccc2c1 ZINC000161018357 566325831 /nfs/dbraw/zinc/32/58/31/566325831.db2.gz UTDIRIBNKCZMNR-UHFFFAOYSA-N 0 0 238.290 2.683 20 70 BFIDRN CCc1ccccc1C(=O)NCC[C@H]1CCCO1 ZINC000160963542 566326000 /nfs/dbraw/zinc/32/60/00/566326000.db2.gz ZAJPGALZORFYGQ-CYBMUJFWSA-N 0 0 247.338 2.548 20 70 BFIDRN CCC(C)(CC)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000159375952 585025597 /nfs/dbraw/zinc/02/55/97/585025597.db2.gz VQFOIICLTMJVQB-LLVKDONJSA-N 0 0 241.375 2.887 20 70 BFIDRN CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H](OC)C1 ZINC000218534886 592161330 /nfs/dbraw/zinc/16/13/30/592161330.db2.gz BLBKEIHJZQOTIZ-HBNTYKKESA-N 0 0 214.305 2.533 20 70 BFIDRN CCC[C@H](C)C(=O)O[C@H]1CCC[C@@H](OC)C1 ZINC000218534643 592161926 /nfs/dbraw/zinc/16/19/26/592161926.db2.gz LZBJEUICHYDCRD-TUAOUCFPSA-N 0 0 228.332 2.923 20 70 BFIDRN CCO[C@@H](C(=O)NC1CC=CC1)c1ccccc1 ZINC000160840843 538912881 /nfs/dbraw/zinc/91/28/81/538912881.db2.gz CGZIPDHUGHNTHI-CQSZACIVSA-N 0 0 245.322 2.599 20 70 BFIDRN Cc1cc(F)c(C(=O)N(C)C(C)C)cc1F ZINC000160822796 538912938 /nfs/dbraw/zinc/91/29/38/538912938.db2.gz ZHPQWWGVEFLUGV-UHFFFAOYSA-N 0 0 227.254 2.754 20 70 BFIDRN C[C@H](CO)CSc1cccc(F)c1 ZINC000160835323 538913038 /nfs/dbraw/zinc/91/30/38/538913038.db2.gz NRBVPCHWEKAYTF-MRVPVSSYSA-N 0 0 200.278 2.546 20 70 BFIDRN Cc1cc(C(=O)N(C)c2c(C)noc2C)oc1C ZINC000160954879 538913301 /nfs/dbraw/zinc/91/33/01/538913301.db2.gz JUEXHQXZZTWQBU-UHFFFAOYSA-N 0 0 248.282 2.778 20 70 BFIDRN C[C@@H](CC(=O)N1CCC[C@@H]1C)c1ccncc1 ZINC000160925365 538913316 /nfs/dbraw/zinc/91/33/16/538913316.db2.gz HXUDFFABBYOQNR-RYUDHWBXSA-N 0 0 232.327 2.586 20 70 BFIDRN C[C@@H](CC(=O)N(C)C1CCC1)c1ccncc1 ZINC000160867049 538913428 /nfs/dbraw/zinc/91/34/28/538913428.db2.gz GDJVIKFMTFRMFQ-NSHDSACASA-N 0 0 232.327 2.586 20 70 BFIDRN CCCc1noc(CSCCCF)n1 ZINC000161462583 349454742 /nfs/dbraw/zinc/45/47/42/349454742.db2.gz CBXOLKFZZHZMCP-UHFFFAOYSA-N 0 0 218.297 2.615 20 70 BFIDRN O=C(NCCCF)[C@H]1CCCc2sccc21 ZINC000159410448 136214362 /nfs/dbraw/zinc/21/43/62/136214362.db2.gz OJJYVVUPLLGRKA-JTQLQIEISA-N 0 0 241.331 2.644 20 70 BFIDRN Cc1cc(NC(=O)NCCC2=CCCC2)no1 ZINC000159840548 178139357 /nfs/dbraw/zinc/13/93/57/178139357.db2.gz SSOCBZPUTBQLQE-UHFFFAOYSA-N 0 0 235.287 2.605 20 70 BFIDRN Cc1cc(N[C@H](C)C2CCC2)nc(C)n1 ZINC000160069929 178184447 /nfs/dbraw/zinc/18/44/47/178184447.db2.gz BFKZURIGDVNRER-SECBINFHSA-N 0 0 205.305 2.694 20 70 BFIDRN CC[C@H](C)[C@H](C)Nc1cc(C(=O)OC)ccn1 ZINC000218125188 398325746 /nfs/dbraw/zinc/32/57/46/398325746.db2.gz CPTZWBVNWUHMLJ-UWVGGRQHSA-N 0 0 236.315 2.715 20 70 BFIDRN Cc1nc(CN[C@@H](C)c2cscn2)cs1 ZINC000161159085 343204183 /nfs/dbraw/zinc/20/41/83/343204183.db2.gz SQPKNRJAICCLRF-ZETCQYMHSA-N 0 0 239.369 2.759 20 70 BFIDRN c1cc(C[NH2+]CC2C3CC4CC(C3)CC2C4)n[nH]1 ZINC000216843991 343756476 /nfs/dbraw/zinc/75/64/76/343756476.db2.gz WJTOUKYJMQDOHV-UHFFFAOYSA-N 0 0 245.370 2.572 20 70 BFIDRN CC(C)C(=O)Nc1cccc(OCCF)c1 ZINC000160441244 323066364 /nfs/dbraw/zinc/06/63/64/323066364.db2.gz MZJUYMHEFDEOMQ-UHFFFAOYSA-N 0 0 225.263 2.629 20 70 BFIDRN CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)CSC ZINC000159626050 345450616 /nfs/dbraw/zinc/45/06/16/345450616.db2.gz MKYCPNUOGSBRIT-DCAQKATOSA-N 0 0 229.389 2.680 20 70 BFIDRN CC(C)=CC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159674100 345463355 /nfs/dbraw/zinc/46/33/55/345463355.db2.gz JWYUEOAPKRWPSV-LBPRGKRZSA-N 0 0 237.343 2.561 20 70 BFIDRN O=C(NCc1ccccc1)Nc1ccc(O)cc1 ZINC000217278194 345607275 /nfs/dbraw/zinc/60/72/75/345607275.db2.gz SXCKNOHLXNKRTE-UHFFFAOYSA-N 0 0 242.278 2.714 20 70 BFIDRN COc1cc(NCc2cccn2C)ccc1F ZINC000159927514 345666364 /nfs/dbraw/zinc/66/63/64/345666364.db2.gz HXBFOBGBMGOOFC-UHFFFAOYSA-N 0 0 234.274 2.785 20 70 BFIDRN Cc1cccc(C(=O)N(C)CC(F)(F)F)c1F ZINC000161453551 179003870 /nfs/dbraw/zinc/00/38/70/179003870.db2.gz VZBBUSQQOGYTCZ-UHFFFAOYSA-N 0 0 249.207 2.768 20 70 BFIDRN Cc1cccc(C(=O)NCC2CCC2)c1F ZINC000161451639 179016440 /nfs/dbraw/zinc/01/64/40/179016440.db2.gz IMRQSZDSGJZLBI-UHFFFAOYSA-N 0 0 221.275 2.664 20 70 BFIDRN Cc1cccc([C@H]2CCCN2Cc2ccon2)n1 ZINC000160239718 179204473 /nfs/dbraw/zinc/20/44/73/179204473.db2.gz HOQFKOPKDXTENI-CQSZACIVSA-N 0 0 243.310 2.715 20 70 BFIDRN CO[C@@H](C)[C@@H](C)Nc1cccc(-c2cc[nH]n2)c1 ZINC000161230834 362800929 /nfs/dbraw/zinc/80/09/29/362800929.db2.gz UBUOVOIDYCTRNH-MNOVXSKESA-N 0 0 245.326 2.912 20 70 BFIDRN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC000160781698 349318900 /nfs/dbraw/zinc/31/89/00/349318900.db2.gz WUKHQAOWVBUDKI-WOPDTQHZSA-N 0 0 223.360 2.975 20 70 BFIDRN CC1CCN(C(=O)N2CC[C@H](C)[C@H](C)C2)CC1 ZINC000160836097 349324133 /nfs/dbraw/zinc/32/41/33/349324133.db2.gz NGQKDPKCNITSJD-QWHCGFSZSA-N 0 0 238.375 2.816 20 70 BFIDRN CC1CCN(C(=O)N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000160836231 349324196 /nfs/dbraw/zinc/32/41/96/349324196.db2.gz NGQKDPKCNITSJD-CHWSQXEVSA-N 0 0 238.375 2.816 20 70 BFIDRN Cc1nc(COC(=O)CCC2CC2)c(C)s1 ZINC000161428669 179978637 /nfs/dbraw/zinc/97/86/37/179978637.db2.gz FHZCUFGBDPYQIB-UHFFFAOYSA-N 0 0 239.340 2.993 20 70 BFIDRN CCC(C)(CC)C(=O)NC[C@H](C)SC ZINC000159361392 350067634 /nfs/dbraw/zinc/06/76/34/350067634.db2.gz OVWGJNKJFUMFJN-VIFPVBQESA-N 0 0 217.378 2.680 20 70 BFIDRN CCOC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000217679174 350068712 /nfs/dbraw/zinc/06/87/12/350068712.db2.gz ODBHUFHGOFVDOE-UWVGGRQHSA-N 0 0 226.222 2.631 20 70 BFIDRN CCN(C)C(=O)CC/C=C\c1ccccc1 ZINC000218449152 350093986 /nfs/dbraw/zinc/09/39/86/350093986.db2.gz DKJMFRJHVFKEJD-XFFZJAGNSA-N 0 0 217.312 2.958 20 70 BFIDRN CCCCC(=O)N1CCc2c(F)cccc2C1 ZINC000161000838 168615619 /nfs/dbraw/zinc/61/56/19/168615619.db2.gz FXQJMDGDYIGMSY-UHFFFAOYSA-N 0 0 235.302 2.901 20 70 BFIDRN CC(C)CCN(C(=O)[C@@H]1CCCCO1)C1CC1 ZINC000160911154 538074869 /nfs/dbraw/zinc/07/48/69/538074869.db2.gz SFSIRQZBAUWJFX-ZDUSSCGKSA-N 0 0 239.359 2.593 20 70 BFIDRN CCCCN(C)C(=O)NCC1CCCC1 ZINC000217572625 259414800 /nfs/dbraw/zinc/41/48/00/259414800.db2.gz VEQRWZSYLLSFFP-UHFFFAOYSA-N 0 0 212.337 2.618 20 70 BFIDRN CC1(C)C[C@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000160073215 191117712 /nfs/dbraw/zinc/11/77/12/191117712.db2.gz UNCHOWYFBYKTOI-QMMMGPOBSA-N 0 0 224.691 2.720 20 70 BFIDRN C[C@H]1CCCN1c1nc(C(C)(C)C)ns1 ZINC000159766950 350991177 /nfs/dbraw/zinc/99/11/77/350991177.db2.gz PFEXAMSAISSLRI-QMMMGPOBSA-N 0 0 225.361 2.824 20 70 BFIDRN O=C(Nc1ccncc1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160031543 353110407 /nfs/dbraw/zinc/11/04/07/353110407.db2.gz MPLCLTWVMXBFQM-AAEUAGOBSA-N 0 0 245.326 2.878 20 70 BFIDRN C[C@H](CNC(=O)c1ccc(Cl)o1)C1CC1 ZINC000218763192 353155450 /nfs/dbraw/zinc/15/54/50/353155450.db2.gz LKDFZHANQOAQGJ-SSDOTTSWSA-N 0 0 227.691 2.709 20 70 BFIDRN CC1(C)C[C@H]1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000160845200 188159373 /nfs/dbraw/zinc/15/93/73/188159373.db2.gz VUSRYPSSSYXVKX-STQMWFEESA-N 0 0 247.313 2.975 20 70 BFIDRN CC(C)CSCCCNC(=O)c1cc[nH]c1 ZINC000160660826 188159402 /nfs/dbraw/zinc/15/94/02/188159402.db2.gz UGYDLYOPCCKWRB-UHFFFAOYSA-N 0 0 240.372 2.524 20 70 BFIDRN CC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000159909610 538880359 /nfs/dbraw/zinc/88/03/59/538880359.db2.gz XYPBYCYPPIOVRR-BETUJISGSA-N 0 0 230.311 2.521 20 70 BFIDRN C[C@H](NC(=O)c1ccncc1Cl)C1CCC1 ZINC000160203584 538884270 /nfs/dbraw/zinc/88/42/70/538884270.db2.gz FOIMJKCTQKAYHI-QMMMGPOBSA-N 0 0 238.718 2.653 20 70 BFIDRN C[C@H](CC(=O)NCCCC1CC1)c1ccncc1 ZINC000160703630 538885844 /nfs/dbraw/zinc/88/58/44/538885844.db2.gz SITDKIUASKMEHE-GFCCVEGCSA-N 0 0 246.354 2.882 20 70 BFIDRN Cc1cc(C(=O)NCC2(C3CC3)CC2)oc1C ZINC000160169614 538882557 /nfs/dbraw/zinc/88/25/57/538882557.db2.gz SGXYMXSCNHALJU-UHFFFAOYSA-N 0 0 233.311 2.816 20 70 BFIDRN Cc1occc1C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000159769547 361288976 /nfs/dbraw/zinc/28/89/76/361288976.db2.gz KZZCDBFKPGNPCB-PSASIEDQSA-N 0 0 207.273 2.506 20 70 BFIDRN CCC(CC)n1nccc1C(=O)N1CCCCC1 ZINC000161095329 205500721 /nfs/dbraw/zinc/50/07/21/205500721.db2.gz KQEMVFJABIFOFT-UHFFFAOYSA-N 0 0 249.358 2.870 20 70 BFIDRN O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccco1 ZINC000160235988 182337564 /nfs/dbraw/zinc/33/75/64/182337564.db2.gz ZNYIQSDTPNCOPC-NSHDSACASA-N 0 0 249.310 2.501 20 70 BFIDRN CCC[N@H+](CC)Cc1cc(O)cc(F)c1 ZINC000159817155 169130094 /nfs/dbraw/zinc/13/00/94/169130094.db2.gz QAVBMAATXCFKFE-UHFFFAOYSA-N 0 0 211.280 2.763 20 70 BFIDRN CCC[C@@H](C(=O)NCc1cccnc1)C(C)C ZINC000161345245 169344879 /nfs/dbraw/zinc/34/48/79/169344879.db2.gz QBPRLFYEBRKKPW-CYBMUJFWSA-N 0 0 234.343 2.770 20 70 BFIDRN CCCn1nc(C)c(C(=O)NC2CCCC2)c1C ZINC000161230471 169624044 /nfs/dbraw/zinc/62/40/44/169624044.db2.gz STUHYRLTNUHEJH-UHFFFAOYSA-N 0 0 249.358 2.582 20 70 BFIDRN CCOc1ccccc1N(C)CCOCC1CC1 ZINC000159428613 384139942 /nfs/dbraw/zinc/13/99/42/384139942.db2.gz UODHVAGYYIJWMD-UHFFFAOYSA-N 0 0 249.354 2.948 20 70 BFIDRN CCc1cccc(NC(=O)[C@@H]2CCCCO2)c1 ZINC000159594687 384343569 /nfs/dbraw/zinc/34/35/69/384343569.db2.gz HWBACVLHSDEPAF-ZDUSSCGKSA-N 0 0 233.311 2.757 20 70 BFIDRN Cc1cncc(/C=C/C(=O)N2CCCC[C@@H]2C)c1 ZINC000159628802 384344303 /nfs/dbraw/zinc/34/43/03/384344303.db2.gz GPAVFOSUEAUMNV-YBJDMEARSA-N 0 0 244.338 2.804 20 70 BFIDRN CCc1ccc(OC(=O)[C@@H]2CCCCO2)cc1 ZINC000159619193 384344346 /nfs/dbraw/zinc/34/43/46/384344346.db2.gz MIRQFCSYIPHXAA-ZDUSSCGKSA-N 0 0 234.295 2.724 20 70 BFIDRN CCc1cccc(NC(=O)N[C@@]2(C)CCOC2)c1 ZINC000159460571 384333656 /nfs/dbraw/zinc/33/36/56/384333656.db2.gz JLVUDSYLOOFQKZ-AWEZNQCLSA-N 0 0 248.326 2.550 20 70 BFIDRN O=C(O[C@H](c1ccccn1)C(F)(F)F)C1CC1 ZINC000160211722 384394492 /nfs/dbraw/zinc/39/44/92/384394492.db2.gz UWIKCSLRCGGZIE-SECBINFHSA-N 0 0 245.200 2.638 20 70 BFIDRN CS[C@@H](C)CC(=O)Nc1nc(C)cs1 ZINC000160244256 384396120 /nfs/dbraw/zinc/39/61/20/384396120.db2.gz YSPLSOOAWHRNBU-ZETCQYMHSA-N 0 0 230.358 2.532 20 70 BFIDRN Cc1nc(COC(=O)C(C)(C)C)c(C)s1 ZINC000160318434 384400742 /nfs/dbraw/zinc/40/07/42/384400742.db2.gz VBYFLYJDPZEAHH-UHFFFAOYSA-N 0 0 227.329 2.849 20 70 BFIDRN CCc1ccccc1C(=O)NCCCOC(C)C ZINC000160644695 384424839 /nfs/dbraw/zinc/42/48/39/384424839.db2.gz DJXRFLNQGQIDHT-UHFFFAOYSA-N 0 0 249.354 2.794 20 70 BFIDRN Cc1cc(C)c(C(=O)NCC2(C3CC3)CC2)o1 ZINC000160013327 384378533 /nfs/dbraw/zinc/37/85/33/384378533.db2.gz YMFJMLRQWUOXTD-UHFFFAOYSA-N 0 0 233.311 2.816 20 70 BFIDRN CCCCNc1ccccc1C(=O)N(C)OC ZINC000160909209 384445264 /nfs/dbraw/zinc/44/52/64/384445264.db2.gz RARIRDZHCBPLKE-UHFFFAOYSA-N 0 0 236.315 2.532 20 70 BFIDRN CC1(C)C[C@H](Nc2ncccc2F)CCO1 ZINC000160664833 384428124 /nfs/dbraw/zinc/42/81/24/384428124.db2.gz JERZWNDXABFCNY-SECBINFHSA-N 0 0 224.279 2.590 20 70 BFIDRN Cc1c(F)cccc1NC(=O)NOCC(C)C ZINC000160732750 384432066 /nfs/dbraw/zinc/43/20/66/384432066.db2.gz ABUJDEKVJNFLBE-UHFFFAOYSA-N 0 0 240.278 2.843 20 70 BFIDRN Cc1ccc(CN(C)Cc2c(C)n[nH]c2C)o1 ZINC000160876680 384443195 /nfs/dbraw/zinc/44/31/95/384443195.db2.gz KYIHZDVEZTUKDI-UHFFFAOYSA-N 0 0 233.315 2.560 20 70 BFIDRN O=C(C1CC=CC1)N1CCc2c(F)cccc2C1 ZINC000161078367 384460606 /nfs/dbraw/zinc/46/06/06/384460606.db2.gz XRMKJDWFODHXCL-UHFFFAOYSA-N 0 0 245.297 2.677 20 70 BFIDRN Fc1ccc(Oc2ccnc(C3CC3)n2)cn1 ZINC000161254884 384476834 /nfs/dbraw/zinc/47/68/34/384476834.db2.gz BCBCAWBSHPVSDO-UHFFFAOYSA-N 0 0 231.230 2.680 20 70 BFIDRN Cc1ccc(C[N@@H+](C)Cc2cnn(C)c2)c(C)c1 ZINC000161270138 384480755 /nfs/dbraw/zinc/48/07/55/384480755.db2.gz AZAHXRUYMQFJPU-UHFFFAOYSA-N 0 0 243.354 2.669 20 70 BFIDRN CC[C@H](S[C@@H](C)C(N)=O)c1ccc(F)cc1 ZINC000161344987 384482514 /nfs/dbraw/zinc/48/25/14/384482514.db2.gz FUKVWJTXICIEGR-KWQFWETISA-N 0 0 241.331 2.884 20 70 BFIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)C1CC1 ZINC000161326232 384483659 /nfs/dbraw/zinc/48/36/59/384483659.db2.gz KNCPEUHCTQVTLE-GHMZBOCLSA-N 0 0 235.352 2.781 20 70 BFIDRN CC(C)CC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000160168962 384648064 /nfs/dbraw/zinc/64/80/64/384648064.db2.gz JIDDGHWRHXTGEE-GFCCVEGCSA-N 0 0 239.359 2.641 20 70 BFIDRN COC(=O)C[C@H](C)S[C@H]1C=CCCC1 ZINC000161243708 384956133 /nfs/dbraw/zinc/95/61/33/384956133.db2.gz ULLKVNUGRXERFM-UWVGGRQHSA-N 0 0 214.330 2.780 20 70 BFIDRN CC(C)(C)C[C@H](CO)Nc1ccnc(Cl)c1 ZINC000161418083 385021113 /nfs/dbraw/zinc/02/11/13/385021113.db2.gz LMRHOOHZAXOSKZ-SNVBAGLBSA-N 0 0 242.750 2.944 20 70 BFIDRN CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCCO1 ZINC000161431613 385042348 /nfs/dbraw/zinc/04/23/48/385042348.db2.gz NUSDFTMUFPLNRQ-AGIUHOORSA-N 0 0 239.359 2.641 20 70 BFIDRN CC(=O)Nc1ccccc1OCc1nccs1 ZINC000161115327 385254202 /nfs/dbraw/zinc/25/42/02/385254202.db2.gz ZKDKTZQUFCRGLS-UHFFFAOYSA-N 0 0 248.307 2.681 20 70 BFIDRN CCCCNC(=O)Nc1cc(Cl)ccn1 ZINC000217304890 385882061 /nfs/dbraw/zinc/88/20/61/385882061.db2.gz KUJPYXJDIDXOGP-UHFFFAOYSA-N 0 0 227.695 2.657 20 70 BFIDRN CC(C)(F)C(=O)N[C@H]1CCCc2sccc21 ZINC000159951702 388039009 /nfs/dbraw/zinc/03/90/09/388039009.db2.gz ACVXAWVNRPZXJE-VIFPVBQESA-N 0 0 241.331 2.990 20 70 BFIDRN CCCCCNC(=O)c1ccc(Cl)o1 ZINC000218186942 388578398 /nfs/dbraw/zinc/57/83/98/388578398.db2.gz VMJASSAKDRNLEM-UHFFFAOYSA-N 0 0 215.680 2.853 20 70 BFIDRN CC[C@H]1C[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000218020340 134251117 /nfs/dbraw/zinc/25/11/17/134251117.db2.gz ONKCGDZDDLXIGO-NKWVEPMBSA-N 0 0 231.221 2.706 20 70 BFIDRN CCc1ncnc(N[C@H]2CCC[C@H]2C)c1F ZINC000218008356 134251451 /nfs/dbraw/zinc/25/14/51/134251451.db2.gz MHJAIUCDALVEBL-SCZZXKLOSA-N 0 0 223.295 2.779 20 70 BFIDRN CCC1(CNc2ccc(C(=O)OC)c(C)n2)CC1 ZINC000218059505 134251466 /nfs/dbraw/zinc/25/14/66/134251466.db2.gz DGCFPQCAUBMKFU-UHFFFAOYSA-N 0 0 248.326 2.779 20 70 BFIDRN C[C@H](Nc1ccc2nccnc2n1)C1CCC1 ZINC000159987267 134797131 /nfs/dbraw/zinc/79/71/31/134797131.db2.gz QJZXFXRXJHSGLM-VIFPVBQESA-N 0 0 228.299 2.625 20 70 BFIDRN COC[C@@H](C)Sc1nncc2ccccc21 ZINC000160237224 134802145 /nfs/dbraw/zinc/80/21/45/134802145.db2.gz JFGFNXOCCDBAIJ-SECBINFHSA-N 0 0 234.324 2.757 20 70 BFIDRN Cc1nc(COC(=O)c2ccoc2)c(C)s1 ZINC000159600756 397764703 /nfs/dbraw/zinc/76/47/03/397764703.db2.gz JGGHRKWNSCCBKL-UHFFFAOYSA-N 0 0 237.280 2.710 20 70 BFIDRN Cc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C)o1 ZINC000161411949 398128377 /nfs/dbraw/zinc/12/83/77/398128377.db2.gz KANJTQUWRNTILQ-DTORHVGOSA-N 0 0 207.273 2.601 20 70 BFIDRN CC(C)C[C@@H](C)NC(=O)NC[C@H]1CCCS1 ZINC000160172836 487595752 /nfs/dbraw/zinc/59/57/52/487595752.db2.gz HKMUHBVRDWENJE-GHMZBOCLSA-N 0 0 244.404 2.616 20 70 BFIDRN CC(C)N(C(=O)CNc1ccccc1)C1CCC1 ZINC000160561118 487597196 /nfs/dbraw/zinc/59/71/96/487597196.db2.gz GCYLIEPANCJDPW-UHFFFAOYSA-N 0 0 246.354 2.888 20 70 BFIDRN CC(C)[C@@H](C)CC(=O)N(C)Cc1cccn1C ZINC000160394076 167354703 /nfs/dbraw/zinc/35/47/03/167354703.db2.gz PMOUMNDEIWWSCT-LBPRGKRZSA-N 0 0 236.359 2.666 20 70 BFIDRN CC1=CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000160161998 168108558 /nfs/dbraw/zinc/10/85/58/168108558.db2.gz GNHIRCBSGTXXBT-UHFFFAOYSA-N 0 0 237.249 2.757 20 70 BFIDRN CC1CCN(C(=O)N(C)Cc2ccco2)CC1 ZINC000160357246 168172381 /nfs/dbraw/zinc/17/23/81/168172381.db2.gz DLDREUKMKAYZQZ-UHFFFAOYSA-N 0 0 236.315 2.563 20 70 BFIDRN CCC(C)(C)NC(=O)/C=C/c1cncc(C)c1 ZINC000159604829 168288362 /nfs/dbraw/zinc/28/83/62/168288362.db2.gz LZMDMBLIYNANOB-VOTSOKGWSA-N 0 0 232.327 2.708 20 70 BFIDRN CCOC(=O)C(C)(C)c1csc(C2CC2)n1 ZINC000159760369 170188105 /nfs/dbraw/zinc/18/81/05/170188105.db2.gz JQPVOYRRVRXMBN-UHFFFAOYSA-N 0 0 239.340 2.861 20 70 BFIDRN CCOc1ccccc1CNC(=O)[C@@H]1CC1(C)C ZINC000160569324 170592129 /nfs/dbraw/zinc/59/21/29/170592129.db2.gz IRVFNSDLVFXDGO-LBPRGKRZSA-N 0 0 247.338 2.748 20 70 BFIDRN CC[C@@H](S[C@@H](C)C(N)=O)c1ccc(F)cc1 ZINC000161345122 170950294 /nfs/dbraw/zinc/95/02/94/170950294.db2.gz FUKVWJTXICIEGR-GZMMTYOYSA-N 0 0 241.331 2.884 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1cc[nH]c1C ZINC000159792374 170989280 /nfs/dbraw/zinc/98/92/80/170989280.db2.gz DIUCOOIFXPIDIZ-PWSUYJOCSA-N 0 0 220.316 2.632 20 70 BFIDRN CC[C@@H]1C[C@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000218020255 171142500 /nfs/dbraw/zinc/14/25/00/171142500.db2.gz ONKCGDZDDLXIGO-RNFRBKRXSA-N 0 0 231.221 2.706 20 70 BFIDRN CC[C@@](C)(CO)Nc1nc2cc(F)ccc2o1 ZINC000160422304 171171558 /nfs/dbraw/zinc/17/15/58/171171558.db2.gz VEEHLOUGQTVUQQ-LBPRGKRZSA-N 0 0 238.262 2.540 20 70 BFIDRN CC[C@@H](NC(=O)[C@@H](C)CC)c1c(C)noc1C ZINC000160286272 171253794 /nfs/dbraw/zinc/25/37/94/171253794.db2.gz BOXJMGMCERSZIK-GZMMTYOYSA-N 0 0 238.331 2.905 20 70 BFIDRN CC[C@H](C)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000160465321 171331916 /nfs/dbraw/zinc/33/19/16/171331916.db2.gz CIFVEUSNWHWITF-IUCAKERBSA-N 0 0 241.281 2.983 20 70 BFIDRN CC[C@H](C)NC(=O)[C@H](C)c1c(F)cccc1F ZINC000160465552 171335310 /nfs/dbraw/zinc/33/53/10/171335310.db2.gz CIFVEUSNWHWITF-DTWKUNHWSA-N 0 0 241.281 2.983 20 70 BFIDRN CCc1ccc([C@H](C)NC(=O)C(F)F)cc1 ZINC000217634284 171837879 /nfs/dbraw/zinc/83/78/79/171837879.db2.gz BLOZVOBDCJMXTE-QMMMGPOBSA-N 0 0 227.254 2.691 20 70 BFIDRN CCc1nsc(N[C@H](C)C2CCC2)n1 ZINC000160070823 172106681 /nfs/dbraw/zinc/10/66/81/172106681.db2.gz RRKQMQVMBIJVCK-SSDOTTSWSA-N 0 0 211.334 2.701 20 70 BFIDRN COCC(C)(C)C(=O)Nc1cscc1C ZINC000161176405 174068487 /nfs/dbraw/zinc/06/84/87/174068487.db2.gz JWPBACRWOIOEQW-UHFFFAOYSA-N 0 0 227.329 2.668 20 70 BFIDRN COCC(C)(C)c1nc(Cc2ccccc2)no1 ZINC000161395513 174082863 /nfs/dbraw/zinc/08/28/63/174082863.db2.gz CFZMPIYXQXZMJF-UHFFFAOYSA-N 0 0 246.310 2.584 20 70 BFIDRN COc1cc(N[C@H](C)[C@@H]2CCOC2)ccc1F ZINC000160106906 175004140 /nfs/dbraw/zinc/00/41/40/175004140.db2.gz NSYZMPQHUHNNOZ-NXEZZACHSA-N 0 0 239.290 2.671 20 70 BFIDRN CS[C@@H](C)CC(=O)N(C)Cc1ccoc1C ZINC000160937241 175537858 /nfs/dbraw/zinc/53/78/58/175537858.db2.gz MWHRLDVLJATIMG-VIFPVBQESA-N 0 0 241.356 2.688 20 70 BFIDRN COc1ccc(N(C)C(=O)c2ccco2)cc1F ZINC000159511581 323018997 /nfs/dbraw/zinc/01/89/97/323018997.db2.gz AWJOCCDBMMOSTD-UHFFFAOYSA-N 0 0 249.241 2.704 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)NCC1(C2CC2)CC1 ZINC000159713319 323044761 /nfs/dbraw/zinc/04/47/61/323044761.db2.gz VUZKVVDJYUVORH-DGCLKSJQSA-N 0 0 221.344 2.729 20 70 BFIDRN CCN(C(=O)C[C@H](C)SC)C1CCCC1 ZINC000159915220 323053793 /nfs/dbraw/zinc/05/37/93/323053793.db2.gz SMYFKHRATMJIKT-JTQLQIEISA-N 0 0 229.389 2.919 20 70 BFIDRN CC[C@H](C)[C@@H](C)NC(=O)NC1(C)CCC1 ZINC000159970246 323055965 /nfs/dbraw/zinc/05/59/65/323055965.db2.gz KKSXVJOTMMDGQV-VHSXEESVSA-N 0 0 212.337 2.663 20 70 BFIDRN CC[C@@H](C)C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000160151940 323061509 /nfs/dbraw/zinc/06/15/09/323061509.db2.gz LOKFMQKOXIVBQE-ZWNOBZJWSA-N 0 0 247.338 2.845 20 70 BFIDRN C[C@H]1CCC[C@H](OCCCCCC(N)=O)C1 ZINC000160165347 323062682 /nfs/dbraw/zinc/06/26/82/323062682.db2.gz KXJAOPSDIFROEX-RYUDHWBXSA-N 0 0 227.348 2.627 20 70 BFIDRN CC[C@@H](NC(=O)c1ccco1)c1c(C)noc1C ZINC000160221844 323064329 /nfs/dbraw/zinc/06/43/29/323064329.db2.gz HKKURPHZWLOAML-SNVBAGLBSA-N 0 0 248.282 2.766 20 70 BFIDRN CC[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H](C)SC ZINC000160237419 323064393 /nfs/dbraw/zinc/06/43/93/323064393.db2.gz ZIZFBWMXMNOSMQ-MXWKQRLJSA-N 0 0 244.404 2.616 20 70 BFIDRN CCC[C@H](CC)NC(=O)NC1(C)CCC1 ZINC000160252103 323064502 /nfs/dbraw/zinc/06/45/02/323064502.db2.gz YNAHEZHYFFENQN-JTQLQIEISA-N 0 0 212.337 2.807 20 70 BFIDRN CC[C@H](C)C(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160481661 323068564 /nfs/dbraw/zinc/06/85/64/323068564.db2.gz CJXSTEYLDWVSHU-VIFPVBQESA-N 0 0 245.326 2.534 20 70 BFIDRN CCC[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000160485581 323068949 /nfs/dbraw/zinc/06/89/49/323068949.db2.gz GVWGLCLBQYFMHF-XQQFMLRXSA-N 0 0 241.375 2.695 20 70 BFIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(N(C)C)nc1 ZINC000160531581 323070225 /nfs/dbraw/zinc/07/02/25/323070225.db2.gz OUOUNYDURTZPMB-BXUZGUMPSA-N 0 0 247.342 2.522 20 70 BFIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(N(C)C)nc1 ZINC000160531699 323070293 /nfs/dbraw/zinc/07/02/93/323070293.db2.gz OUOUNYDURTZPMB-RISCZKNCSA-N 0 0 247.342 2.522 20 70 BFIDRN C(c1nnc(C2CC2)o1)[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160558116 323071354 /nfs/dbraw/zinc/07/13/54/323071354.db2.gz BXYBJBLPRYRJMR-JQWIXIFHSA-N 0 0 247.342 2.712 20 70 BFIDRN CCN(C(=O)[C@@H]1CCCCO1)C1CCCCC1 ZINC000160565355 323072040 /nfs/dbraw/zinc/07/20/40/323072040.db2.gz KLECTXFCCVPNAJ-ZDUSSCGKSA-N 0 0 239.359 2.737 20 70 BFIDRN COCC(C)(C)C(=O)Nc1cc(C)ccc1F ZINC000160630681 323074004 /nfs/dbraw/zinc/07/40/04/323074004.db2.gz BWWKALMUXHXOHV-UHFFFAOYSA-N 0 0 239.290 2.745 20 70 BFIDRN Cc1cccc([S@@](=O)Cc2nccs2)c1 ZINC000160659122 323076421 /nfs/dbraw/zinc/07/64/21/323076421.db2.gz INTZLNUGVUZYON-OAHLLOKOSA-N 0 0 237.349 2.759 20 70 BFIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc2c[nH]nc21 ZINC000160818691 323136363 /nfs/dbraw/zinc/13/63/63/323136363.db2.gz MRQQSFDOWSNPDL-HZMBPMFUSA-N 0 0 243.310 2.938 20 70 BFIDRN CCCCO[C@H](C)C(=O)NCC1(CCC)CC1 ZINC000160844307 323136578 /nfs/dbraw/zinc/13/65/78/323136578.db2.gz RHZFCZZJQHKGEN-GFCCVEGCSA-N 0 0 241.375 2.888 20 70 BFIDRN CC[C@]1(C)C[C@H]1C(=O)N(C(C)C)C1CC1 ZINC000160984109 323142285 /nfs/dbraw/zinc/14/22/85/323142285.db2.gz XTUXXOCVOPLGFI-WCQYABFASA-N 0 0 209.333 2.822 20 70 BFIDRN CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1CC ZINC000161247833 323477655 /nfs/dbraw/zinc/47/76/55/323477655.db2.gz JBLZJZKMSJUZKG-FRRDWIJNSA-N 0 0 241.375 2.839 20 70 BFIDRN C[C@@H]1CC[C@@H](C)N1C(=O)C1CCCCC1 ZINC000161401874 323512200 /nfs/dbraw/zinc/51/22/00/323512200.db2.gz KRCPTHVSJQAEDJ-GHMZBOCLSA-N 0 0 209.333 2.966 20 70 BFIDRN Cc1cc(C(=O)N[C@H](C)CCCC(C)C)ncn1 ZINC000161431500 323513438 /nfs/dbraw/zinc/51/34/38/323513438.db2.gz QXHQKJFHLBPAGJ-LLVKDONJSA-N 0 0 249.358 2.730 20 70 BFIDRN CC1(CNc2c(F)cccc2Cl)COC1 ZINC000160373631 488126729 /nfs/dbraw/zinc/12/67/29/488126729.db2.gz ZSZDMZSWQJXMEX-UHFFFAOYSA-N 0 0 229.682 2.928 20 70 BFIDRN CC1(CNc2ncnc3c2CCCC3)CC1 ZINC000217811478 490484722 /nfs/dbraw/zinc/48/47/22/490484722.db2.gz DWMBTQHLIOYNDA-UHFFFAOYSA-N 0 0 217.316 2.567 20 70 BFIDRN CCc1ncnc(NC[C@H](C)C2CC2)c1F ZINC000217989066 490493214 /nfs/dbraw/zinc/49/32/14/490493214.db2.gz LAMHOWUDVQAGLE-QMMMGPOBSA-N 0 0 223.295 2.636 20 70 BFIDRN CCC[C@H](C)Nc1ncnc(CC)c1F ZINC000217963739 490491247 /nfs/dbraw/zinc/49/12/47/490491247.db2.gz VVOHCLXEMVVAOV-QMMMGPOBSA-N 0 0 211.284 2.779 20 70 BFIDRN CCc1ncnc(N2CCCC(C)(C)C2)c1F ZINC000159727979 536176168 /nfs/dbraw/zinc/17/61/68/536176168.db2.gz NSFYSHVRKBTWJH-UHFFFAOYSA-N 0 0 237.322 2.805 20 70 BFIDRN CCCCCCSc1n[nH]c(COC)n1 ZINC000217580507 592136353 /nfs/dbraw/zinc/13/63/53/592136353.db2.gz XEUIGPWZYKXQKP-UHFFFAOYSA-N 0 0 229.349 2.624 20 70 BFIDRN O=C(OCC1CC1)c1ccc(Cl)nc1Cl ZINC000218096464 592151379 /nfs/dbraw/zinc/15/13/79/592151379.db2.gz XHIXZTQQWVTEHV-UHFFFAOYSA-N 0 0 246.093 2.955 20 70 BFIDRN CCc1ncnc(N[C@@H](C)CCSC)c1F ZINC000218025693 592151497 /nfs/dbraw/zinc/15/14/97/592151497.db2.gz VFVTXFIYLDLSAE-QMMMGPOBSA-N 0 0 243.351 2.732 20 70 BFIDRN CC/C(C)=C/C(=O)Oc1ccc(OC)cc1 ZINC000218560137 592162462 /nfs/dbraw/zinc/16/24/62/592162462.db2.gz YCZMHXIRYIOLHR-MDZDMXLPSA-N 0 0 220.268 2.957 20 70 BFIDRN CC(C)CNC(=S)NCC(C)(C)C(C)C ZINC000218745825 592176958 /nfs/dbraw/zinc/17/69/58/592176958.db2.gz HMHOVUIXORGONA-UHFFFAOYSA-N 0 0 230.421 2.789 20 70 BFIDRN